#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1siq s PHE 4 N 0.00 3.68 -0.26 -0.32 2.19 -1.26 -5.02 117.98 116.98 1siq s PHE 4 Ca 0.00 1.68 0.02 0.00 0.33 0.00 0.00 56.93 58.96 1siq s PHE 4 Cb 0.00 -3.09 0.07 0.00 -1.31 0.00 0.00 43.02 38.69 1siq s PHE 4 CO 0.00 0.03 -0.07 0.34 1.83 0.00 0.00 175.22 177.35 1siq s ASP 5 N 0.85 4.29 0.44 6.13 3.68 -1.26 -4.99 116.67 125.80 1siq s ASP 5 Ca 0.50 -1.43 0.30 0.00 2.13 0.00 0.00 52.55 54.05 1siq s ASP 5 Cb -0.21 -1.43 1.55 0.00 -1.45 0.00 0.00 42.92 41.38 1siq s ASP 5 CO 0.28 -0.23 1.91 4.11 0.13 0.00 0.00 175.17 181.36 1siq h TRP 6 N 7.82 0.00 -0.00 -5.34 5.08 -1.95 -0.86 115.95 120.70 1siq h TRP 6 Ca -0.17 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.80 1siq h TRP 6 Cb 1.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 1siq h TRP 6 CO 0.57 0.00 -0.05 1.04 -1.28 0.00 0.00 178.44 178.72 1siq n GLN 7 N -2.56 0.10 -2.72 0.12 6.02 -1.26 -4.29 117.38 112.78 1siq n GLN 7 Ca -0.01 -0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.90 1siq n GLN 7 Cb 0.09 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 29.91 1siq n GLN 7 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1siq n ASP 8 N -1.44 -2.35 -0.29 1.08 2.03 -0.39 -5.06 116.55 110.13 1siq n ASP 8 Ca 0.08 -2.94 -0.02 0.00 0.52 0.00 0.00 54.79 52.43 1siq n ASP 8 Cb 0.32 1.56 0.03 0.00 -0.72 0.00 0.00 41.12 42.31 1siq n ASP 8 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1siq h PRO 9 N 3.54 -0.07 -0.62 -0.67 0.11 -1.58 -1.98 132.00 130.71 1siq h PRO 9 Ca -0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 1siq h PRO 9 Cb 1.09 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1siq h PRO 9 CO 0.16 -0.05 0.03 1.28 -0.21 0.00 0.00 178.00 179.21 1siq n LEU 10 N -5.47 5.50 -3.47 2.35 4.32 -1.26 -4.80 117.00 114.18 1siq n LEU 10 Ca 0.08 -2.80 -0.21 0.00 -0.02 0.00 0.00 56.01 53.06 1siq n LEU 10 Cb 0.38 -0.68 0.04 0.00 -1.62 0.00 0.00 43.42 41.54 1siq n LEU 10 CO -0.06 0.62 0.01 0.52 -1.22 0.00 0.00 177.39 177.27 1siq n VAL 11 N 0.52 -7.29 0.00 4.08 0.31 -0.75 -4.89 118.33 110.32 1siq n VAL 11 Ca 0.27 -0.86 0.01 0.00 -0.01 0.00 0.00 64.34 63.75 1siq n VAL 11 Cb 1.16 -5.26 0.32 0.00 -0.91 0.00 0.00 33.84 29.16 1siq n VAL 11 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1siq h LEU 12 N -1.13 0.48 -0.85 7.52 5.85 -1.94 -3.12 115.31 122.12 1siq h LEU 12 Ca -0.53 -0.08 0.21 0.00 0.84 0.00 0.00 57.88 58.33 1siq h LEU 12 Cb 1.29 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 42.06 1siq h LEU 12 CO 0.43 0.52 0.27 -0.08 -0.34 0.00 0.00 178.44 179.23 1siq h GLU 13 N 0.50 0.27 0.00 1.25 4.57 -1.94 0.24 114.58 119.48 1siq h GLU 13 Ca 0.11 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1siq h GLU 13 Cb 0.26 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1siq h GLU 13 CO 0.00 0.18 0.00 0.39 -1.18 0.00 0.00 179.01 178.40 1siq n GLU 14 N -5.16 0.80 0.00 1.92 1.02 -1.18 -2.34 120.64 115.71 1siq n GLU 14 Ca 0.20 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.42 1siq n GLU 14 Cb 0.62 -1.30 -0.09 0.00 -0.02 0.00 0.00 31.44 30.65 1siq n GLU 14 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1siq n GLN 15 N -0.80 1.49 -3.71 3.49 1.13 0.84 -4.98 117.38 114.84 1siq n GLN 15 Ca 0.11 -0.03 -0.30 0.00 -1.94 0.00 0.00 57.00 54.85 1siq n GLN 15 Cb 0.05 -1.29 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 1siq n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1siq s LEU 16 N -2.76 4.26 0.59 1.08 1.43 -0.99 -5.10 118.68 117.18 1siq s LEU 16 Ca 0.07 0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.55 1siq s LEU 16 Cb 0.13 -3.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 1siq s LEU 16 CO 0.68 0.02 0.94 0.42 0.23 0.00 0.00 176.35 178.64 1siq s THR 17 N -1.74 4.22 0.37 5.49 -4.23 -1.26 -4.89 115.64 113.61 1siq s THR 17 Ca 0.39 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 61.30 1siq s THR 17 Cb -0.12 -3.67 0.27 0.00 1.34 0.00 0.00 72.50 70.33 1siq s THR 17 CO 0.27 -0.76 2.01 0.71 -0.54 0.00 0.00 174.62 176.31 1siq h THR 18 N -0.19 1.10 -0.29 3.99 1.35 -1.99 -1.05 112.91 115.84 1siq h THR 18 Ca -0.45 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.11 1siq h THR 18 Cb 1.23 0.31 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1siq h THR 18 CO 0.62 0.13 -0.01 0.44 -0.25 0.00 0.00 175.52 176.45 1siq h ASP 19 N 0.73 0.51 -0.47 5.36 3.32 -1.98 -0.47 116.42 123.42 1siq h ASP 19 Ca 0.23 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1siq h ASP 19 Cb 0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1siq h ASP 19 CO -0.06 0.70 0.26 -0.33 -1.72 0.00 0.00 179.24 178.09 1siq h GLU 20 N 0.30 0.65 -0.62 3.56 5.08 -1.80 0.12 114.58 121.87 1siq h GLU 20 Ca 0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1siq h GLU 20 Cb 0.45 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1siq h GLU 20 CO 0.02 0.50 0.27 0.82 -1.00 0.00 0.00 179.01 179.63 1siq h ILE 21 N 0.61 1.22 -0.41 3.13 2.04 -1.14 -0.53 117.51 122.45 1siq h ILE 21 Ca 0.16 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1siq h ILE 21 Cb 0.04 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1siq h ILE 21 CO -0.03 0.27 0.20 0.25 0.00 0.00 0.00 178.15 178.84 1siq h LEU 22 N 0.86 0.54 0.04 1.44 5.85 -0.61 -1.60 115.31 121.83 1siq h LEU 22 Ca 0.21 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1siq h LEU 22 Cb 0.16 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1siq h LEU 22 CO -0.02 0.51 -0.03 0.40 -0.34 0.00 0.00 178.44 178.97 1siq h ILE 23 N 0.52 0.94 0.19 4.05 2.04 -0.49 -1.49 117.51 123.28 1siq h ILE 23 Ca 0.14 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 1siq h ILE 23 Cb 0.12 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1siq h ILE 23 CO -0.02 0.00 -0.36 -0.09 0.00 0.00 0.00 178.15 177.68 1siq h ARG 24 N -0.06 -0.61 -0.62 2.37 2.43 -0.91 -1.47 114.38 115.50 1siq h ARG 24 Ca -0.00 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1siq h ARG 24 Cb 0.06 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1siq h ARG 24 CO -0.00 -0.41 0.39 -0.44 -1.51 0.00 0.00 179.97 178.00 1siq h ASP 25 N -0.63 0.64 -0.29 -3.80 3.32 -1.24 0.17 116.42 114.60 1siq h ASP 25 Ca 0.01 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1siq h ASP 25 Cb 0.63 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1siq h ASP 25 CO -0.17 0.45 0.13 0.74 -1.72 0.00 0.00 179.24 178.67 1siq h THR 26 N 0.77 0.97 -0.52 0.35 2.02 -1.09 -1.75 112.91 113.67 1siq h THR 26 Ca 0.25 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.23 1siq h THR 26 Cb -0.00 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1siq h THR 26 CO -0.09 0.05 -0.07 0.15 0.37 0.00 0.00 175.52 175.93 1siq h PHE 27 N 0.28 1.07 -0.58 3.16 -0.00 -0.87 -2.91 116.94 117.09 1siq h PHE 27 Ca 0.12 -0.21 0.10 0.00 -0.00 0.00 0.00 57.97 57.98 1siq h PHE 27 Cb 0.05 -0.27 -0.08 0.00 -0.00 0.00 0.00 35.95 35.65 1siq h PHE 27 CO -0.10 1.00 0.15 -0.09 -0.00 0.00 0.00 178.31 179.26 1siq h ARG 28 N 0.83 0.28 -0.58 1.11 2.43 -0.30 0.10 114.38 118.25 1siq h ARG 28 Ca 0.14 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1siq h ARG 28 Cb 0.62 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1siq h ARG 28 CO 0.04 0.18 0.30 1.15 -1.51 0.00 0.00 179.97 180.14 1siq h THR 29 N 0.29 0.95 -0.22 0.20 2.02 -1.15 0.19 112.91 115.19 1siq h THR 29 Ca 0.30 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1siq h THR 29 Cb 0.42 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1siq h THR 29 CO -0.37 0.10 0.09 0.22 0.37 0.00 0.00 175.52 175.93 1siq h TYR 30 N 0.57 0.33 -0.60 3.16 5.03 -0.97 -0.77 116.97 123.71 1siq h TYR 30 Ca 0.26 -0.02 0.03 0.00 2.58 0.00 0.00 58.73 61.57 1siq h TYR 30 Cb 0.17 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.31 1siq h TYR 30 CO -0.10 0.36 0.37 0.00 -1.32 0.00 0.00 178.16 177.48 1siq h GLN 32 N 0.73 0.43 0.18 0.00 1.08 -0.91 -1.11 115.11 115.52 1siq h GLN 32 Ca 0.24 -0.35 -0.33 0.00 -1.45 0.00 0.00 58.65 56.76 1siq h GLN 32 Cb 0.02 0.07 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1siq h GLN 32 CO -0.10 0.99 -1.54 0.93 -0.95 0.00 0.00 178.83 178.16 1siq h GLU 33 N 0.29 0.39 0.00 1.46 5.08 -0.92 -3.37 114.58 117.51 1siq h GLU 33 Ca -0.03 -0.67 -0.29 0.00 -1.00 0.00 0.00 59.36 57.37 1siq h GLU 33 Cb 1.32 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 30.76 1siq h GLU 33 CO 0.13 1.30 -2.08 0.54 -1.00 0.00 0.00 179.01 177.89 1siq n ARG 34 N -3.59 1.24 -0.09 2.33 5.12 0.85 -4.65 116.66 117.86 1siq n ARG 34 Ca -0.18 0.02 -0.22 0.00 -1.93 0.00 0.00 57.85 55.54 1siq n ARG 34 Cb 1.07 -1.40 -0.12 0.00 -1.16 0.00 0.00 32.46 30.86 1siq n ARG 34 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1siq n LEU 35 N -2.69 2.00 -0.29 0.55 4.77 -0.71 -4.29 117.00 116.34 1siq n LEU 35 Ca -0.28 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1siq n LEU 35 Cb 0.98 -0.98 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 1siq n LEU 35 CO 0.30 0.40 1.07 0.24 -1.33 0.00 0.00 177.39 178.07 1siq h MET 36 N -0.82 0.54 0.00 3.23 2.86 -1.40 -1.11 114.93 118.22 1siq h MET 36 Ca -0.39 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1siq h MET 36 Cb 1.45 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1siq h MET 36 CO -0.18 0.35 0.00 -1.00 1.06 0.00 0.00 176.91 177.14 1siq h PRO 37 N 0.55 0.00 0.00 -0.22 0.13 -1.77 -3.04 132.00 127.65 1siq h PRO 37 Ca 0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1siq h PRO 37 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1siq h PRO 37 CO -0.39 0.00 -1.69 2.89 -0.23 0.00 0.00 178.00 178.58 1siq n ARG 38 N -3.03 0.47 -0.25 0.86 1.85 -0.46 -4.62 116.66 111.48 1siq n ARG 38 Ca -0.01 -0.14 -0.01 0.00 -1.00 0.00 0.00 57.85 56.70 1siq n ARG 38 Cb 0.19 -1.52 0.20 0.00 -1.05 0.00 0.00 32.46 30.27 1siq n ARG 38 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 1siq h ILE 39 N 0.00 1.22 0.26 8.89 6.09 -1.33 -2.32 117.51 130.31 1siq h ILE 39 Ca 0.00 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1siq h ILE 39 Cb 0.86 0.08 -0.04 0.00 0.47 0.00 0.00 36.82 38.19 1siq h ILE 39 CO 0.00 0.22 -0.51 0.25 -3.07 0.00 0.00 178.15 175.04 1siq h LEU 40 N 1.09 -1.49 -0.50 2.19 5.85 -1.82 -0.54 115.31 120.10 1siq h LEU 40 Ca 0.29 0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.99 1siq h LEU 40 Cb -0.07 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1siq h LEU 40 CO -0.06 -0.59 -0.75 -0.07 -0.34 0.00 0.00 178.44 176.63 1siq h LEU 41 N -0.84 0.02 -0.01 2.25 3.38 -1.89 -2.19 115.31 116.03 1siq h LEU 41 Ca -0.02 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1siq h LEU 41 Cb 0.80 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1siq h LEU 41 CO -0.21 0.77 -0.04 0.00 0.09 0.00 0.00 178.44 179.05 1siq h ALA 42 N 1.23 -0.04 -0.32 1.53 0.00 -1.20 0.13 119.26 120.60 1siq h ALA 42 Ca -0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1siq h ALA 42 Cb 1.33 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1siq h ALA 42 CO 0.10 -0.54 -0.31 -0.97 0.00 0.00 0.00 179.25 177.54 1siq h ASN 43 N -0.07 0.70 -0.30 0.00 -1.24 -1.12 0.13 115.58 113.68 1siq h ASN 43 Ca 0.02 -0.28 -0.14 0.00 0.71 0.00 0.00 56.30 56.61 1siq h ASN 43 Cb 0.10 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1siq h ASN 43 CO -0.05 0.96 -0.33 -0.09 -1.29 0.00 0.00 177.43 176.64 1siq h ARG 44 N 0.58 0.83 -0.41 6.67 2.43 -1.02 -3.25 114.38 120.20 1siq h ARG 44 Ca 0.07 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1siq h ARG 44 Cb 0.81 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1siq h ARG 44 CO 0.07 1.03 0.00 0.09 -1.51 0.00 0.00 179.97 179.65 1siq n ASN 45 N -4.07 3.70 -3.55 -3.80 3.02 0.43 -5.00 115.26 105.99 1siq n ASN 45 Ca -0.01 -2.41 -0.26 0.00 -0.03 0.00 0.00 54.58 51.87 1siq n ASN 45 Cb 0.50 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 39.30 1siq n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1siq n GLU 46 N 0.40 -1.83 -4.25 3.52 1.02 -0.14 -4.99 120.64 114.36 1siq n GLU 46 Ca 0.18 0.59 -0.33 0.00 -0.02 0.00 0.00 57.16 57.59 1siq n GLU 46 Cb 0.68 -4.73 -0.16 0.00 -0.02 0.00 0.00 31.44 27.21 1siq n GLU 46 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1siq s VAL 47 N -3.46 2.18 -0.23 2.62 1.01 0.26 -4.95 120.40 117.83 1siq s VAL 47 Ca 0.43 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 1siq s VAL 47 Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1siq s VAL 47 CO 0.82 0.53 0.06 0.12 0.00 0.00 0.00 175.10 176.63 1siq s PHE 48 N 1.17 3.10 -0.55 5.22 5.99 -1.26 -4.66 117.98 126.99 1siq s PHE 48 Ca 0.02 -0.34 -0.24 0.00 0.00 0.00 0.00 56.93 56.36 1siq s PHE 48 Cb -0.14 -2.18 0.04 0.00 0.00 0.00 0.00 43.02 40.74 1siq s PHE 48 CO -0.09 -0.25 0.95 -1.01 -0.00 0.00 0.00 175.22 174.81 1siq s HIS 49 N 1.30 2.80 0.45 10.12 3.76 -1.26 -4.90 115.29 127.56 1siq s HIS 49 Ca 0.05 0.02 0.24 0.00 -0.15 0.00 0.00 55.06 55.21 1siq s HIS 49 Cb -0.15 -4.08 1.24 0.00 1.11 0.00 0.00 32.58 30.71 1siq s HIS 49 CO 0.03 -1.34 1.80 -0.09 -0.85 0.00 0.00 174.74 174.29 1siq h ARG 50 N 9.30 0.26 -0.73 1.40 1.12 -2.00 0.22 114.38 123.95 1siq h ARG 50 Ca -0.26 -0.02 0.14 0.00 -1.11 0.00 0.00 59.98 58.73 1siq h ARG 50 Cb 1.07 -0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 30.93 1siq h ARG 50 CO 1.09 0.17 0.49 0.93 -3.11 0.00 0.00 179.97 179.54 1siq h GLU 51 N 0.27 0.42 -0.98 0.20 3.07 -2.00 -2.13 114.58 113.43 1siq h GLU 51 Ca 0.55 -0.03 0.22 0.00 -0.50 0.00 0.00 59.36 59.60 1siq h GLU 51 Cb 1.64 -0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 29.34 1siq h GLU 51 CO -0.19 0.28 0.56 0.82 -1.40 0.00 0.00 179.01 179.09 1siq h ILE 52 N 0.44 0.60 -0.17 3.13 2.04 -1.36 0.19 117.51 122.38 1siq h ILE 52 Ca 0.35 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.87 1siq h ILE 52 Cb 0.77 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1siq h ILE 52 CO -0.11 0.11 -0.48 0.40 0.00 0.00 0.00 178.15 178.07 1siq h ILE 53 N 0.62 1.32 -0.20 -0.67 1.08 -1.57 -1.69 117.51 116.40 1siq h ILE 53 Ca 0.60 -1.70 -0.06 0.00 -0.39 0.00 0.00 64.86 63.31 1siq h ILE 53 Cb 1.06 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 36.53 1siq h ILE 53 CO -0.45 0.52 -0.11 0.28 -0.69 0.00 0.00 178.15 177.71 1siq h SER 54 N 0.35 0.45 -0.14 1.72 0.02 -0.87 -1.44 113.55 113.64 1siq h SER 54 Ca 0.02 -0.42 0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1siq h SER 54 Cb 0.97 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1siq h SER 54 CO 0.08 0.76 0.02 -0.33 -1.14 0.00 0.00 176.83 176.23 1siq h GLU 55 N 0.13 0.07 0.00 3.45 5.08 -0.68 -0.34 114.58 122.29 1siq h GLU 55 Ca 0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1siq h GLU 55 Cb 0.60 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1siq h GLU 55 CO 0.03 0.05 -0.14 0.52 -1.00 0.00 0.00 179.01 178.47 1siq h MET 56 N 0.07 0.00 -0.26 2.33 2.86 -1.30 -2.09 114.93 116.53 1siq h MET 56 Ca 0.06 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1siq h MET 56 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1siq h MET 56 CO -0.09 0.14 -0.14 0.78 1.06 0.00 0.00 176.91 178.65 1siq h GLY 57 N 0.81 0.61 1.31 8.32 0.00 -0.03 -1.93 103.07 112.17 1siq h GLY 57 Ca -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 1siq h GLY 57 CO 0.02 0.51 0.24 0.83 0.00 0.00 0.00 176.54 178.14 1siq h GLU 58 N 0.29 0.89 0.00 4.80 5.08 -0.52 -0.85 114.58 124.27 1siq h GLU 58 Ca 0.06 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1siq h GLU 58 Cb 0.66 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1siq h GLU 58 CO 0.04 0.73 0.00 1.28 -1.00 0.00 0.00 179.01 180.06 1siq n LEU 59 N -4.32 0.39 -0.92 1.33 4.32 -0.84 -4.89 117.00 112.07 1siq n LEU 59 Ca 0.05 0.58 -0.09 0.00 -0.02 0.00 0.00 56.01 56.54 1siq n LEU 59 Cb 0.17 -0.52 -0.01 0.00 -1.62 0.00 0.00 43.42 41.44 1siq n LEU 59 CO 0.39 -0.37 -0.11 0.61 -1.22 0.00 0.00 177.39 176.70 1siq n GLY 60 N 0.25 0.26 0.11 -0.72 0.00 -0.32 -4.93 105.19 99.83 1siq n GLY 60 Ca 0.03 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1siq n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1siq h VAL 61 N 0.00 0.00 -3.11 1.61 2.07 -1.60 -3.39 116.25 111.83 1siq h VAL 61 Ca -0.20 -0.72 -0.54 0.00 0.82 0.00 0.00 66.70 66.06 1siq h VAL 61 Cb 1.01 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 1siq h VAL 61 CO 0.25 0.00 0.66 -0.76 0.02 0.00 0.00 177.57 177.74 1siq s LEU 62 N -4.89 4.32 -1.26 2.57 1.02 -1.25 -3.49 118.68 115.71 1siq s LEU 62 Ca 0.05 1.93 -0.04 0.00 0.02 0.00 0.00 54.13 56.08 1siq s LEU 62 Cb 0.11 -3.57 -0.01 0.00 0.02 0.00 0.00 46.19 42.74 1siq s LEU 62 CO 0.72 -0.55 0.72 0.61 0.02 0.00 0.00 176.35 177.87 1siq n GLY 63 N 3.34 -0.50 0.24 -3.19 0.00 -1.26 -4.76 105.19 99.06 1siq n GLY 63 Ca 0.10 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.43 1siq n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1siq h PRO 64 N -1.79 0.00 0.00 1.61 0.13 -1.83 -2.85 132.00 127.26 1siq h PRO 64 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1siq h PRO 64 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1siq h PRO 64 CO 0.54 0.12 -0.16 0.25 -0.23 0.00 0.00 178.00 178.53 1siq n THR 65 N -4.29 0.02 -2.39 1.56 -2.24 -1.26 0.27 114.28 105.95 1siq n THR 65 Ca -0.03 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 1siq n THR 65 Cb 0.20 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.12 1siq n THR 65 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1siq s ILE 66 N -3.00 3.44 -0.28 2.28 1.01 -1.08 -4.56 121.20 119.00 1siq s ILE 66 Ca 0.13 1.33 -0.13 0.00 0.00 0.00 0.00 60.65 61.98 1siq s ILE 66 Cb 0.18 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1siq s ILE 66 CO 0.58 0.27 0.29 -0.54 0.00 0.00 0.00 174.94 175.55 1siq s LYS 67 N -0.94 3.94 0.46 2.79 1.02 -1.26 -1.87 119.74 123.88 1siq s LYS 67 Ca 0.49 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.31 1siq s LYS 67 Cb -0.33 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1siq s LYS 67 CO 0.40 -0.26 0.00 0.41 -0.92 0.00 0.00 175.35 174.98 1siq n GLY 68 N 4.88 -1.99 2.37 -3.33 0.00 -1.26 -4.96 105.19 100.90 1siq n GLY 68 Ca -0.11 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 43.98 1siq n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1siq n TYR 69 N -0.04 -0.51 -0.70 1.61 4.01 -1.26 -1.20 117.16 119.08 1siq n TYR 69 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1siq n TYR 69 Cb 0.00 -3.23 0.00 0.00 -0.31 0.00 0.00 39.34 35.80 1siq n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1siq n GLY 70 N -0.54 0.63 3.92 2.72 0.00 -1.26 -3.74 105.19 106.92 1siq n GLY 70 Ca -0.19 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1siq n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1siq h ALA 72 N 2.43 1.38 -3.84 0.00 0.00 -1.72 -3.37 119.26 114.13 1siq h ALA 72 Ca -0.47 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.17 1siq h ALA 72 Cb 1.18 -0.35 0.08 0.00 0.00 0.00 0.00 17.79 18.70 1siq h ALA 72 CO 0.71 0.54 -0.40 0.41 0.00 0.00 0.00 179.25 180.51 1siq n GLY 73 N -1.39 0.07 3.99 0.00 0.00 0.13 -4.96 105.19 103.03 1siq n GLY 73 Ca 0.12 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1siq n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1siq s VAL 74 N -3.19 2.19 0.84 1.61 -7.23 0.14 -4.94 120.40 109.82 1siq s VAL 74 Ca 0.25 -0.60 -0.12 0.00 -1.81 0.00 0.00 61.98 59.70 1siq s VAL 74 Cb -0.11 -2.59 0.09 0.00 0.56 0.00 0.00 36.38 34.33 1siq s VAL 74 CO 0.42 0.00 1.11 -0.94 -0.31 0.00 0.00 175.10 175.38 1siq s SER 75 N -4.70 4.16 0.25 4.85 1.04 -1.26 -4.29 113.70 113.75 1siq s SER 75 Ca 0.65 1.18 -0.01 0.00 0.48 0.00 0.00 55.95 58.25 1siq s SER 75 Cb -0.06 -1.86 0.32 0.00 0.10 0.00 0.00 66.02 64.52 1siq s SER 75 CO 0.44 -2.17 1.70 0.28 0.98 0.00 0.00 173.24 174.47 1siq h SER 76 N -1.23 0.65 -0.77 7.02 0.02 -1.98 -2.25 113.55 115.02 1siq h SER 76 Ca -0.48 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.22 1siq h SER 76 Cb 1.29 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 1siq h SER 76 CO 0.60 0.84 0.33 0.58 -1.14 0.00 0.00 176.83 178.05 1siq h VAL 77 N 0.59 1.25 -0.77 2.27 2.07 -1.94 0.06 116.25 119.79 1siq h VAL 77 Ca 0.09 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1siq h VAL 77 Cb 0.64 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1siq h VAL 77 CO 0.05 0.32 0.38 0.00 0.02 0.00 0.00 177.57 178.33 1siq h ALA 78 N 1.24 0.99 -0.53 1.67 0.00 -1.82 0.99 119.26 121.80 1siq h ALA 78 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1siq h ALA 78 Cb 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1siq h ALA 78 CO -0.03 0.55 0.30 -0.92 0.00 0.00 0.00 179.25 179.15 1siq h TYR 79 N 1.08 0.71 -0.56 0.00 -0.00 -0.78 -0.53 116.97 116.89 1siq h TYR 79 Ca 0.27 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.97 1siq h TYR 79 Cb 0.10 -0.23 -0.03 0.00 -0.00 0.00 0.00 36.73 36.58 1siq h TYR 79 CO 0.01 0.50 0.29 0.78 -0.00 0.00 0.00 178.16 179.74 1siq h GLY 80 N 0.70 0.85 1.16 1.82 0.00 -0.34 -1.48 103.07 105.78 1siq h GLY 80 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1siq h GLY 80 CO -0.03 0.38 0.52 1.41 0.00 0.00 0.00 176.54 178.82 1siq h LEU 81 N 0.75 0.99 -0.37 3.11 3.38 -0.43 -1.30 115.31 121.45 1siq h LEU 81 Ca 0.20 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1siq h LEU 81 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1siq h LEU 81 CO -0.03 0.74 0.03 -0.07 0.09 0.00 0.00 178.44 179.20 1siq h LEU 82 N 1.15 0.61 -0.79 1.67 3.38 -0.65 -2.56 115.31 118.12 1siq h LEU 82 Ca 0.30 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1siq h LEU 82 Cb -0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1siq h LEU 82 CO -0.06 0.75 0.47 0.00 0.09 0.00 0.00 178.44 179.69 1siq h ALA 83 N 0.89 1.00 -0.75 1.53 0.00 -0.85 -1.98 119.26 119.09 1siq h ALA 83 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1siq h ALA 83 Cb 0.42 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1siq h ALA 83 CO 0.01 0.47 0.42 -0.09 0.00 0.00 0.00 179.25 180.07 1siq h ARG 84 N 1.08 1.04 -0.11 0.00 2.43 -1.12 -0.72 114.38 116.98 1siq h ARG 84 Ca 0.28 -0.12 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 1siq h ARG 84 Cb -0.04 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1siq h ARG 84 CO -0.05 0.77 -0.52 0.93 -1.51 0.00 0.00 179.97 179.58 1siq h GLU 85 N 1.04 0.30 -0.14 0.20 4.39 -1.20 -1.51 114.58 117.66 1siq h GLU 85 Ca 0.27 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 1siq h GLU 85 Cb 0.02 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1siq h GLU 85 CO -0.04 0.75 -0.23 1.25 -1.16 0.00 0.00 179.01 179.58 1siq h LEU 86 N 0.23 0.44 -1.16 1.33 6.46 -0.99 -3.12 115.31 118.51 1siq h LEU 86 Ca 0.01 -0.54 -0.04 0.00 -0.12 0.00 0.00 57.88 57.18 1siq h LEU 86 Cb 1.00 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1siq h LEU 86 CO 0.08 0.89 -0.20 -0.08 -0.62 0.00 0.00 178.44 178.52 1siq h GLU 87 N -0.00 0.00 -0.08 1.25 4.81 -1.14 -1.57 114.58 117.85 1siq h GLU 87 Ca 0.01 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1siq h GLU 87 Cb 0.81 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 1siq h GLU 87 CO 0.05 0.20 0.10 -0.09 -0.73 0.00 0.00 179.01 178.54 1siq h ARG 88 N 0.00 0.00 0.00 1.92 2.43 -1.20 -2.71 114.38 114.82 1siq h ARG 88 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1siq h ARG 88 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1siq h ARG 88 CO 0.03 0.00 -0.49 0.28 -1.51 0.00 0.00 179.97 178.27 1siq h VAL 89 N 0.00 0.00 -1.70 0.20 2.07 -1.38 -3.45 116.25 112.00 1siq h VAL 89 Ca 0.04 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 66.62 1siq h VAL 89 Cb 0.23 0.00 -0.25 0.00 -1.52 0.00 0.00 31.29 29.75 1siq h VAL 89 CO -0.00 0.00 0.32 -0.62 0.02 0.00 0.00 177.57 177.29 1siq s ASP 90 N -5.73 -0.59 0.35 0.57 -1.08 -0.73 -5.04 116.67 104.42 1siq s ASP 90 Ca -0.14 1.03 0.03 0.00 -0.52 0.00 0.00 52.55 52.95 1siq s ASP 90 Cb 0.02 1.14 0.64 0.00 -1.46 0.00 0.00 42.92 43.26 1siq s ASP 90 CO 0.21 -0.17 1.96 0.28 0.52 0.00 0.00 175.17 177.98 1siq h SER 91 N 5.36 0.64 -0.53 -0.34 0.02 -1.84 -2.29 113.55 114.57 1siq h SER 91 Ca -0.29 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1siq h SER 91 Cb 1.19 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 1siq h SER 91 CO 0.14 0.53 0.32 1.23 -1.14 0.00 0.00 176.83 177.92 1siq h GLY 92 N 0.81 0.75 0.95 -3.77 0.00 -1.93 0.23 103.07 100.12 1siq h GLY 92 Ca 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1siq h GLY 92 CO -0.03 0.21 0.15 -0.97 0.00 0.00 0.00 176.54 175.91 1siq h TYR 93 N 0.65 0.70 -0.15 5.60 0.99 -1.75 -2.13 116.97 120.87 1siq h TYR 93 Ca 0.21 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.81 1siq h TYR 93 Cb 0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.52 1siq h TYR 93 CO -0.06 0.62 -0.22 -0.09 -0.00 0.00 0.00 178.16 178.41 1siq h ARG 94 N 0.57 0.26 -0.45 4.88 1.12 -0.95 -2.62 114.38 117.20 1siq h ARG 94 Ca 0.14 -0.08 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 1siq h ARG 94 Cb 0.24 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 1siq h ARG 94 CO -0.01 0.48 0.25 0.77 -3.11 0.00 0.00 179.97 178.35 1siq h SER 95 N 0.24 0.55 -0.92 -3.80 0.02 -0.13 0.14 113.55 109.66 1siq h SER 95 Ca 0.04 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1siq h SER 95 Cb 0.53 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1siq h SER 95 CO 0.04 0.48 0.61 0.00 -1.14 0.00 0.00 176.83 176.81 1siq h ALA 96 N 1.10 1.38 -0.07 3.77 0.00 -1.04 -1.73 119.26 122.67 1siq h ALA 96 Ca 0.16 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1siq h ALA 96 Cb 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1siq h ALA 96 CO -0.03 0.56 -0.82 1.98 0.00 0.00 0.00 179.25 180.94 1siq h MET 97 N 1.20 0.50 -0.33 0.00 1.85 -1.14 -2.70 114.93 114.31 1siq h MET 97 Ca 0.35 -0.45 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 1siq h MET 97 Cb -0.07 0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 1siq h MET 97 CO -0.09 1.09 0.17 0.77 -0.40 0.00 0.00 176.91 178.45 1siq h SER 98 N 0.32 0.43 0.64 1.39 0.02 -0.35 -1.22 113.55 114.79 1siq h SER 98 Ca -0.06 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1siq h SER 98 Cb 1.43 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 1siq h SER 98 CO 0.15 0.41 -0.40 0.58 -1.14 0.00 0.00 176.83 176.43 1siq h VAL 99 N 0.41 0.19 -0.47 2.27 2.07 -1.36 0.18 116.25 119.54 1siq h VAL 99 Ca 0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1siq h VAL 99 Cb 0.09 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 1siq h VAL 99 CO -0.02 0.00 0.03 -0.61 0.02 0.00 0.00 177.57 177.00 1siq h GLN 100 N -0.98 0.15 0.20 1.57 5.75 -1.43 -0.31 115.11 120.05 1siq h GLN 100 Ca -0.08 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1siq h GLN 100 Cb 0.80 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1siq h GLN 100 CO 0.08 0.10 -0.10 0.77 -2.65 0.00 0.00 178.83 177.03 1siq h SER 101 N 0.15 -0.23 0.60 -0.69 0.02 -1.13 -1.42 113.55 110.86 1siq h SER 101 Ca 0.24 -0.15 -0.21 0.00 -0.84 0.00 0.00 61.79 60.82 1siq h SER 101 Cb 0.34 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1siq h SER 101 CO -0.36 0.30 -1.55 -1.20 -1.14 0.00 0.00 176.83 172.88 1siq n SER 102 N -4.94 0.84 -0.00 3.07 7.64 0.62 -1.91 113.62 118.93 1siq n SER 102 Ca -0.05 0.38 0.10 0.00 1.01 0.00 0.00 58.87 60.30 1siq n SER 102 Cb 0.18 0.12 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 1siq n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1siq n LEU 103 N -2.93 0.67 0.02 -3.43 4.77 -0.50 -4.27 117.00 111.33 1siq n LEU 103 Ca -0.13 -0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 55.48 1siq n LEU 103 Cb 0.92 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.00 1siq n LEU 103 CO 0.44 0.17 -0.14 0.52 -1.33 0.00 0.00 177.39 177.04 1siq n VAL 104 N -1.68 1.23 -0.11 4.08 0.31 -0.25 -4.67 118.33 117.24 1siq n VAL 104 Ca 0.02 0.34 -0.11 0.00 -0.01 0.00 0.00 64.34 64.57 1siq n VAL 104 Cb 0.37 -1.71 -0.03 0.00 -0.91 0.00 0.00 33.84 31.56 1siq n VAL 104 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1siq h MET 105 N -0.17 0.62 0.01 5.55 2.86 -1.32 -3.09 114.93 119.39 1siq h MET 105 Ca -0.01 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1siq h MET 105 Cb 0.22 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1siq h MET 105 CO -0.00 0.79 -0.07 1.25 1.06 0.00 0.00 176.91 179.93 1siq h HIS 106 N 0.40 -0.19 -0.81 -0.22 6.17 -1.56 -1.06 115.15 117.88 1siq h HIS 106 Ca 0.08 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.16 1siq h HIS 106 Cb 0.55 0.08 -0.04 0.00 2.52 0.00 0.00 27.41 30.52 1siq h HIS 106 CO 0.05 -0.12 0.47 -1.00 0.71 0.00 0.00 177.93 178.04 1siq h PRO 107 N -0.13 1.11 -0.25 5.26 0.13 -1.76 0.19 132.00 136.55 1siq h PRO 107 Ca 0.03 -0.11 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1siq h PRO 107 Cb 0.17 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.06 1siq h PRO 107 CO -0.07 0.79 -0.00 0.82 -0.23 0.00 0.00 178.00 179.31 1siq h ILE 108 N 1.11 1.16 -0.02 -3.56 2.04 -1.43 0.35 117.51 117.15 1siq h ILE 108 Ca 0.29 -0.61 -0.22 0.00 1.00 0.00 0.00 64.86 65.32 1siq h ILE 108 Cb -0.02 0.97 0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1siq h ILE 108 CO -0.05 0.20 -0.84 0.22 0.00 0.00 0.00 178.15 177.68 1siq h TYR 109 N 0.36 0.89 0.05 1.37 3.20 -0.18 -2.39 116.97 120.27 1siq h TYR 109 Ca 0.08 -0.47 -0.31 0.00 3.14 0.00 0.00 58.73 61.17 1siq h TYR 109 Cb 0.25 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1siq h TYR 109 CO 0.01 1.30 -1.75 0.00 -1.64 0.00 0.00 178.16 176.07 1siq h ALA 110 N 0.39 0.62 -0.01 1.82 0.00 -0.42 -3.40 119.26 118.26 1siq h ALA 110 Ca -0.10 -1.40 0.00 0.00 0.00 0.00 0.00 54.91 53.42 1siq h ALA 110 Cb 1.51 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1siq h ALA 110 CO 0.17 1.46 -0.12 0.66 0.00 0.00 0.00 179.25 181.41 1siq n TYR 111 N -3.22 0.00 -2.17 0.00 0.53 0.12 -4.88 117.16 107.54 1siq n TYR 111 Ca -0.21 0.00 -0.26 0.00 -1.02 0.00 0.00 57.90 56.41 1siq n TYR 111 Cb 1.05 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 39.42 1siq n TYR 111 CO 0.00 0.00 0.00 0.20 -1.02 0.00 0.00 176.86 176.04 1siq s GLY 112 N -1.00 1.67 0.58 2.72 0.00 -0.90 -0.16 107.32 110.23 1siq s GLY 112 Ca 0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 1siq s GLY 112 CO 0.16 -0.45 0.90 -1.35 0.00 0.00 0.00 173.10 172.36 1siq s SER 113 N -4.50 5.74 0.40 1.64 1.04 -1.26 -4.84 113.70 111.92 1siq s SER 113 Ca 0.60 0.82 0.08 0.00 0.48 0.00 0.00 55.95 57.93 1siq s SER 113 Cb -0.11 -1.86 0.83 0.00 0.10 0.00 0.00 66.02 64.98 1siq s SER 113 CO 0.45 -0.99 2.00 -0.08 0.98 0.00 0.00 173.24 175.61 1siq h GLU 114 N -0.15 0.44 -0.29 4.02 4.57 -1.98 -1.65 114.58 119.54 1siq h GLU 114 Ca -0.46 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 1siq h GLU 114 Cb 1.24 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1siq h GLU 114 CO 0.61 0.37 0.16 1.49 -1.18 0.00 0.00 179.01 180.46 1siq h GLU 115 N 0.44 0.40 -0.69 1.92 4.81 -1.99 -0.52 114.58 118.95 1siq h GLU 115 Ca 0.11 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 1siq h GLU 115 Cb 0.10 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1siq h GLU 115 CO -0.01 0.35 0.27 1.96 -0.73 0.00 0.00 179.01 180.85 1siq h GLN 116 N 0.35 1.04 0.69 1.92 4.20 -1.74 -0.38 115.11 121.18 1siq h GLN 116 Ca 0.10 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1siq h GLN 116 Cb 0.07 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1siq h GLN 116 CO -0.02 0.87 -0.33 0.00 -0.67 0.00 0.00 178.83 178.68 1siq h ARG 117 N 0.99 -0.89 -0.88 1.46 3.08 -1.09 0.10 114.38 117.15 1siq h ARG 117 Ca 0.23 0.06 0.19 0.00 0.07 0.00 0.00 59.98 60.53 1siq h ARG 117 Cb 0.22 0.20 -0.11 0.00 0.08 0.00 0.00 29.97 30.36 1siq h ARG 117 CO -0.02 -0.58 0.43 1.96 -1.07 0.00 0.00 179.97 180.69 1siq h GLN 118 N -0.98 0.50 -0.01 0.04 1.08 -0.97 -1.42 115.11 113.34 1siq h GLN 118 Ca -0.09 -0.03 -0.26 0.00 -1.45 0.00 0.00 58.65 56.81 1siq h GLN 118 Cb 0.73 -0.11 0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1siq h GLN 118 CO 0.16 0.33 -1.02 -0.22 -0.95 0.00 0.00 178.83 177.13 1siq h LYS 119 N 0.51 0.69 0.00 1.46 3.64 -0.83 -3.41 116.57 118.63 1siq h LYS 119 Ca 0.52 -0.72 -0.37 0.00 -1.27 0.00 0.00 60.65 58.80 1siq h LYS 119 Cb 0.89 0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1siq h LYS 119 CO -0.45 1.31 -2.36 0.66 -2.27 0.00 0.00 179.45 176.33 1siq n TYR 120 N -3.85 0.00 -0.10 1.91 4.01 0.34 -4.59 117.16 114.87 1siq n TYR 120 Ca -0.10 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.57 1siq n TYR 120 Cb 0.87 -0.91 -0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1siq n TYR 120 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1siq h LEU 121 N -0.23 -0.79 -0.98 7.72 3.38 -1.42 -0.60 115.31 122.40 1siq h LEU 121 Ca -0.56 0.16 0.12 0.00 0.09 0.00 0.00 57.88 57.69 1siq h LEU 121 Cb 1.76 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 42.82 1siq h LEU 121 CO -0.16 -0.26 0.61 -0.65 0.09 0.00 0.00 178.44 178.07 1siq h PRO 122 N -0.18 0.92 -0.14 1.13 0.11 -1.74 0.24 132.00 132.35 1siq h PRO 122 Ca 0.18 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.05 1siq h PRO 122 Cb 0.46 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 1siq h PRO 122 CO -0.47 0.61 -0.69 1.96 -0.21 0.00 0.00 178.00 179.20 1siq h GLN 123 N 0.95 0.57 -0.43 1.05 4.20 -1.63 -2.70 115.11 117.12 1siq h GLN 123 Ca 0.49 -0.43 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 1siq h GLN 123 Cb 0.49 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1siq h GLN 123 CO -0.27 1.05 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.56 1siq h LEU 124 N 0.40 1.01 -1.03 1.46 3.38 -0.34 0.38 115.31 120.57 1siq h LEU 124 Ca -0.02 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1siq h LEU 124 Cb 1.27 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1siq h LEU 124 CO 0.13 1.23 0.45 0.00 0.09 0.00 0.00 178.44 180.34 1siq h ALA 125 N 0.81 1.26 -0.05 1.53 0.00 -0.53 -2.15 119.26 120.14 1siq h ALA 125 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1siq h ALA 125 Cb 0.90 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1siq h ALA 125 CO 0.08 0.60 0.00 1.63 0.00 0.00 0.00 179.25 181.56 1siq n LYS 126 N -4.35 1.49 -1.00 0.00 5.02 -1.02 -4.48 118.16 113.82 1siq n LYS 126 Ca 0.08 -0.72 -0.00 0.00 -2.02 0.00 0.00 58.31 55.66 1siq n LYS 126 Cb 0.10 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 33.66 1siq n LYS 126 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1siq n GLY 127 N 1.09 0.39 0.19 0.72 0.00 -0.81 -4.36 105.19 102.41 1siq n GLY 127 Ca 0.19 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1siq n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1siq h GLU 128 N 0.79 0.07 -6.07 1.61 5.08 -1.18 -3.39 114.58 111.49 1siq h GLU 128 Ca -0.00 -0.03 -0.69 0.00 -1.00 0.00 0.00 59.36 57.64 1siq h GLU 128 Cb 0.21 -0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.16 1siq h GLU 128 CO 0.00 0.46 -0.87 -0.51 -1.00 0.00 0.00 179.01 177.09 1siq s LEU 129 N -8.18 2.18 -0.22 1.33 1.43 -1.12 -5.01 118.68 109.09 1siq s LEU 129 Ca -0.03 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 1siq s LEU 129 Cb 0.14 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 1siq s LEU 129 CO 0.74 0.26 0.10 -0.22 0.23 0.00 0.00 176.35 177.46 1siq s LEU 130 N -0.24 3.83 0.39 1.79 0.20 -1.26 -4.61 118.68 118.77 1siq s LEU 130 Ca -0.01 0.01 0.08 0.00 0.69 0.00 0.00 54.13 54.90 1siq s LEU 130 Cb -0.13 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.58 1siq s LEU 130 CO 0.03 0.08 0.24 -0.83 -0.29 0.00 0.00 176.35 175.58 1siq s GLY 131 N 0.97 2.13 0.10 7.98 0.00 -1.26 0.34 107.32 117.59 1siq s GLY 131 Ca 0.05 -1.93 -0.08 0.00 0.00 0.00 0.00 44.72 42.76 1siq s GLY 131 CO 0.03 -1.78 0.19 0.00 0.00 0.00 0.00 173.10 171.54 1siq s PHE 133 N -3.89 3.17 -0.61 0.00 2.19 -1.26 -1.44 117.98 116.14 1siq s PHE 133 Ca 0.08 -2.17 -0.15 0.00 0.33 0.00 0.00 56.93 55.02 1siq s PHE 133 Cb 0.05 -1.93 0.15 0.00 -1.31 0.00 0.00 43.02 39.98 1siq s PHE 133 CO -0.08 -0.86 0.55 0.20 1.83 0.00 0.00 175.22 176.86 1siq s GLY 134 N 1.14 2.24 0.03 13.12 0.00 0.63 -4.78 107.32 119.69 1siq s GLY 134 Ca -0.06 -2.75 0.00 0.00 0.00 0.00 0.00 44.72 41.91 1siq s GLY 134 CO -0.06 1.21 0.00 -0.10 0.00 0.00 0.00 173.10 174.14 1siq n LEU 135 N 4.87 0.29 -4.77 0.66 7.94 -1.26 -1.87 117.00 122.87 1siq n LEU 135 Ca -0.06 0.05 -0.39 0.00 -1.11 0.00 0.00 56.01 54.50 1siq n LEU 135 Cb 0.42 -0.08 -0.00 0.00 0.53 0.00 0.00 43.42 44.28 1siq n LEU 135 CO 0.48 -0.25 0.93 -0.89 -1.11 0.00 0.00 177.39 176.55 1siq s THR 136 N -2.00 2.73 0.19 1.96 2.01 -1.26 -4.95 115.64 114.32 1siq s THR 136 Ca 0.00 0.62 0.03 0.00 0.31 0.00 0.00 61.69 62.65 1siq s THR 136 Cb 0.00 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1siq s THR 136 CO 0.00 0.07 -0.02 -1.61 -0.69 0.00 0.00 174.62 172.37 1siq s GLU 137 N -2.36 1.18 0.39 4.92 2.02 -0.15 -1.66 118.70 123.04 1siq s GLU 137 Ca 0.59 -1.57 0.17 0.00 0.02 0.00 0.00 54.97 54.18 1siq s GLU 137 Cb -0.36 -0.45 1.06 0.00 0.10 0.00 0.00 34.13 34.48 1siq s GLU 137 CO 0.45 -0.08 1.78 -1.35 0.02 0.00 0.00 175.26 176.08 1siq h PRO 138 N 2.63 0.43 -0.26 0.39 0.11 -1.92 -0.86 132.00 132.52 1siq h PRO 138 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1siq h PRO 138 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1siq h PRO 138 CO 0.63 0.28 0.00 0.09 -0.21 0.00 0.00 178.00 178.80 1siq n ASN 139 N -4.64 3.17 -3.53 -2.05 4.13 -1.26 -4.87 115.26 106.20 1siq n ASN 139 Ca 0.25 -2.44 -0.29 0.00 1.68 0.00 0.00 54.58 53.78 1siq n ASN 139 Cb 0.82 -0.34 -0.15 0.00 -1.54 0.00 0.00 39.78 38.58 1siq n ASN 139 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1siq s SER 140 N -1.45 3.48 0.00 6.41 0.15 -0.33 -4.81 113.70 117.15 1siq s SER 140 Ca 0.29 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.59 1siq s SER 140 Cb 0.20 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1siq s SER 140 CO 0.11 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1siq n GLY 141 N 5.17 0.41 0.29 9.45 0.00 -1.26 -0.97 105.19 118.27 1siq n GLY 141 Ca -0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.16 1siq n GLY 141 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1siq h SER 142 N 0.00 0.00 -3.90 1.61 0.02 -1.97 -3.38 113.55 105.94 1siq h SER 142 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 1siq h SER 142 Cb 0.00 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.14 1siq h SER 142 CO 0.00 0.00 -0.69 -0.62 -1.14 0.00 0.00 176.83 174.38 1siq s ASP 143 N -5.60 4.64 0.49 3.07 2.15 -1.26 -4.97 116.67 115.19 1siq s ASP 143 Ca 0.00 -2.42 0.27 0.00 0.43 0.00 0.00 52.55 50.82 1siq s ASP 143 Cb 0.10 -1.64 1.27 0.00 -0.30 0.00 0.00 42.92 42.35 1siq s ASP 143 CO 0.52 -0.34 1.98 -0.65 -0.17 0.00 0.00 175.17 176.52 1siq h PRO 144 N 7.27 0.00 0.00 4.34 0.11 -1.89 -2.87 132.00 138.96 1siq h PRO 144 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1siq h PRO 144 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1siq h PRO 144 CO 0.57 0.16 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 1siq n SER 145 N -3.52 0.13 -0.86 -2.05 3.41 -1.26 -1.89 113.62 107.57 1siq n SER 145 Ca -0.01 0.54 0.10 0.00 -0.26 0.00 0.00 58.87 59.24 1siq n SER 145 Cb 0.31 -0.56 0.28 0.00 -0.26 0.00 0.00 64.21 63.98 1siq n SER 145 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1siq n SER 146 N -1.65 2.57 -4.77 4.04 7.64 -1.08 -4.97 113.62 115.40 1siq n SER 146 Ca 0.02 -1.88 -0.40 0.00 1.01 0.00 0.00 58.87 57.62 1siq n SER 146 Cb 0.14 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1siq n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1siq s MET 147 N -1.58 3.91 0.00 1.43 0.23 -0.79 -4.68 119.30 117.82 1siq s MET 147 Ca 0.35 2.27 0.15 0.00 -1.03 0.00 0.00 55.69 57.43 1siq s MET 147 Cb 0.19 -2.76 -0.11 0.00 -1.53 0.00 0.00 34.83 30.62 1siq s MET 147 CO 0.28 -0.58 0.70 0.39 -2.03 0.00 0.00 175.02 173.78 1siq n GLU 148 N 0.09 1.96 -1.97 3.16 1.02 -1.26 -4.88 120.64 118.76 1siq n GLU 148 Ca 0.04 -0.26 -0.42 0.00 -0.02 0.00 0.00 57.16 56.49 1siq n GLU 148 Cb 0.43 -1.22 -0.03 0.00 -0.02 0.00 0.00 31.44 30.59 1siq n GLU 148 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1siq s THR 149 N -2.23 3.21 0.13 2.62 2.01 -1.26 -4.84 115.64 115.28 1siq s THR 149 Ca 0.08 0.59 0.11 0.00 0.31 0.00 0.00 61.69 62.78 1siq s THR 149 Cb 0.12 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1siq s THR 149 CO 0.54 -0.01 -0.27 -0.13 -0.69 0.00 0.00 174.62 174.06 1siq s ARG 150 N 2.85 1.38 -0.20 4.92 1.81 -0.50 -1.14 118.95 128.06 1siq s ARG 150 Ca 0.73 -1.34 0.01 0.00 -1.72 0.00 0.00 55.73 53.41 1siq s ARG 150 Cb -0.38 -1.86 0.04 0.00 -0.45 0.00 0.00 34.95 32.30 1siq s ARG 150 CO 0.31 0.44 -0.12 0.00 -0.68 0.00 0.00 175.30 175.25 1siq s ALA 151 N -1.07 2.10 -0.17 2.13 0.00 -0.91 -1.64 121.76 122.21 1siq s ALA 151 Ca 0.13 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.76 1siq s ALA 151 Cb -0.10 -1.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1siq s ALA 151 CO 0.06 -0.75 0.14 -1.01 0.00 0.00 0.00 175.76 174.20 1siq s HIS 152 N 1.35 3.49 0.12 0.00 3.76 -0.01 -4.05 115.29 119.94 1siq s HIS 152 Ca -0.01 0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 55.06 1siq s HIS 152 Cb -0.16 -2.08 -0.07 0.00 1.11 0.00 0.00 32.58 31.38 1siq s HIS 152 CO -0.09 0.46 0.82 -0.47 -0.85 0.00 0.00 174.74 174.62 1siq s TYR 153 N -0.18 3.84 -0.63 1.40 5.04 -1.26 0.02 117.35 125.57 1siq s TYR 153 Ca 0.11 1.64 -0.03 0.00 -2.44 0.00 0.00 57.07 56.34 1siq s TYR 153 Cb -0.11 -2.86 0.16 0.00 0.35 0.00 0.00 41.96 39.50 1siq s TYR 153 CO 0.01 0.37 0.45 -0.80 -1.34 0.00 0.00 175.55 174.24 1siq s ASN 154 N -0.56 5.30 0.39 4.32 0.01 0.12 -4.95 114.94 119.56 1siq s ASN 154 Ca 0.39 -2.85 0.16 0.00 -0.71 0.00 0.00 52.86 49.85 1siq s ASN 154 Cb -0.23 -1.87 1.02 0.00 0.41 0.00 0.00 41.25 40.59 1siq s ASN 154 CO 0.26 -0.38 1.81 0.77 -1.51 0.00 0.00 177.10 178.06 1siq h SER 155 N 7.06 0.50 0.08 -1.22 4.64 -1.96 0.26 113.55 122.91 1siq h SER 155 Ca -0.01 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1siq h SER 155 Cb 0.95 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1siq h SER 155 CO 0.71 0.16 -0.04 0.77 -0.87 0.00 0.00 176.83 177.57 1siq h SER 156 N 0.47 -0.09 0.51 4.97 4.64 -1.94 -3.20 113.55 118.91 1siq h SER 156 Ca 0.54 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1siq h SER 156 Cb 1.24 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1siq h SER 156 CO -0.26 0.27 -0.20 0.59 -0.87 0.00 0.00 176.83 176.36 1siq n ASN 157 N -4.97 0.44 -3.56 4.97 3.02 -0.98 -4.94 115.26 109.23 1siq n ASN 157 Ca -0.08 -0.31 -0.24 0.00 -0.03 0.00 0.00 54.58 53.92 1siq n ASN 157 Cb 0.21 -0.05 0.05 0.00 -0.61 0.00 0.00 39.78 39.37 1siq n ASN 157 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1siq n LYS 158 N -1.17 -2.48 -4.03 3.52 5.02 0.89 -4.90 118.16 115.01 1siq n LYS 158 Ca 0.10 0.62 -0.11 0.00 -2.02 0.00 0.00 58.31 56.90 1siq n LYS 158 Cb 0.31 -4.89 -0.05 0.00 -0.02 0.00 0.00 35.03 30.38 1siq n LYS 158 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1siq s SER 159 N -3.68 0.17 0.15 4.39 1.04 -1.12 -2.64 113.70 112.01 1siq s SER 159 Ca 0.35 -1.11 0.10 0.00 0.48 0.00 0.00 55.95 55.77 1siq s SER 159 Cb -0.09 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1siq s SER 159 CO 0.81 -1.18 -0.23 -0.31 0.98 0.00 0.00 173.24 173.32 1siq s TYR 160 N -3.72 2.07 -0.18 5.02 2.02 0.28 0.12 117.35 122.97 1siq s TYR 160 Ca 0.25 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1siq s TYR 160 Cb -0.00 -1.08 0.01 0.00 -0.40 0.00 0.00 41.96 40.49 1siq s TYR 160 CO 0.12 0.35 -0.16 0.99 -1.57 0.00 0.00 175.55 175.28 1siq s THR 161 N -1.48 2.43 -0.11 -0.71 2.01 0.10 0.26 115.64 118.15 1siq s THR 161 Ca 0.15 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.28 1siq s THR 161 Cb -0.08 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1siq s THR 161 CO 0.07 0.51 0.07 -0.76 -0.69 0.00 0.00 174.62 173.82 1siq s LEU 162 N 1.19 3.96 -0.03 4.42 1.02 0.89 -0.83 118.68 129.29 1siq s LEU 162 Ca 0.02 0.28 -0.00 0.00 0.02 0.00 0.00 54.13 54.45 1siq s LEU 162 Cb -0.14 -1.94 0.03 0.00 0.02 0.00 0.00 46.19 44.16 1siq s LEU 162 CO -0.08 0.38 0.01 0.20 0.02 0.00 0.00 176.35 176.88 1siq s ASN 163 N -0.85 0.55 0.00 2.29 0.01 -0.65 -1.45 114.94 114.84 1siq s ASN 163 Ca 0.13 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1siq s ASN 163 Cb -0.12 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1siq s ASN 163 CO 0.03 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.10 1siq n GLY 164 N 4.38 -2.86 2.81 0.66 0.00 -0.95 -1.41 105.19 107.82 1siq n GLY 164 Ca -0.22 -1.32 -0.19 0.00 0.00 0.00 0.00 46.02 44.29 1siq n GLY 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1siq s THR 165 N -2.03 0.22 -0.05 2.61 2.01 -1.26 -1.33 115.64 115.81 1siq s THR 165 Ca 0.00 0.10 -0.00 0.00 0.31 0.00 0.00 61.69 62.10 1siq s THR 165 Cb 0.00 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1siq s THR 165 CO 0.00 0.18 -0.01 -0.54 -0.69 0.00 0.00 174.62 173.55 1siq s LYS 166 N 1.27 2.86 0.20 4.92 -0.14 -0.19 -4.34 119.74 124.32 1siq s LYS 166 Ca -0.06 -0.51 0.03 0.00 -1.36 0.00 0.00 55.97 54.07 1siq s LYS 166 Cb -0.13 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.26 1siq s LYS 166 CO -0.02 0.67 -0.02 -0.08 -0.76 0.00 0.00 175.35 175.13 1siq s THR 167 N -0.94 1.00 -1.25 2.17 -1.32 -0.66 -0.88 115.64 113.76 1siq s THR 167 Ca 0.15 -2.03 -0.03 0.00 -1.21 0.00 0.00 61.69 58.57 1siq s THR 167 Cb -0.11 -2.21 -0.01 0.00 -1.51 0.00 0.00 72.50 68.66 1siq s THR 167 CO 0.05 -0.43 0.75 0.79 -2.21 0.00 0.00 174.62 173.57 1siq n TRP 168 N -0.35 -1.99 -3.76 9.09 7.02 -1.17 -4.59 117.44 121.70 1siq n TRP 168 Ca -0.06 0.80 -0.36 0.00 -1.02 0.00 0.00 57.50 56.85 1siq n TRP 168 Cb 0.63 -4.30 -0.12 0.00 -2.42 0.00 0.00 31.31 25.10 1siq n TRP 168 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1siq s ILE 169 N -3.60 4.32 0.17 -0.99 -1.09 0.12 -4.91 121.20 115.23 1siq s ILE 169 Ca 0.11 -0.17 -0.31 0.00 -2.23 0.00 0.00 60.65 58.05 1siq s ILE 169 Cb -0.03 -3.02 -0.09 0.00 -1.58 0.00 0.00 42.46 37.75 1siq s ILE 169 CO 0.80 0.34 1.41 -0.89 -1.23 0.00 0.00 174.94 175.38 1siq s THR 170 N 1.58 3.03 0.00 2.92 2.01 -1.26 -1.06 115.64 122.86 1siq s THR 170 Ca 0.06 0.78 0.00 0.00 0.31 0.00 0.00 61.69 62.85 1siq s THR 170 Cb -0.15 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1siq s THR 170 CO 0.04 0.09 0.00 0.59 -0.69 0.00 0.00 174.62 174.64 1siq n ASN 171 N 3.29 0.00 -0.29 3.53 3.02 0.20 -4.49 115.26 120.52 1siq n ASN 171 Ca 0.10 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.76 1siq n ASN 171 Cb 0.41 -0.02 0.28 0.00 -0.61 0.00 0.00 39.78 39.85 1siq n ASN 171 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1siq h SER 172 N 0.00 0.23 -0.11 6.41 4.64 -1.75 -1.64 113.55 121.33 1siq h SER 172 Ca 0.00 0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1siq h SER 172 Cb 0.00 0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1siq h SER 172 CO 0.00 -0.03 0.13 -0.65 -0.87 0.00 0.00 176.83 175.41 1siq h PRO 173 N 0.35 0.00 0.00 4.77 0.11 -1.85 -2.63 132.00 132.76 1siq h PRO 173 Ca 0.53 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.62 1siq h PRO 173 Cb 0.99 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 1siq h PRO 173 CO -0.54 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 176.92 1siq n MET 174 N -3.79 0.86 -2.52 1.05 0.00 -0.73 -5.01 117.12 107.00 1siq n MET 174 Ca -0.00 -2.23 -0.33 0.00 0.00 0.00 0.00 57.70 55.14 1siq n MET 174 Cb 0.23 -1.10 -0.04 0.00 0.00 0.00 0.00 33.22 32.31 1siq n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1siq s ALA 175 N -1.89 3.03 -0.11 3.17 0.00 -0.70 -4.78 121.76 120.49 1siq s ALA 175 Ca 0.25 0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.55 1siq s ALA 175 Cb 0.23 -3.14 -0.11 0.00 0.00 0.00 0.00 23.12 20.11 1siq s ALA 175 CO -0.02 -0.16 -0.02 -0.25 0.00 0.00 0.00 175.76 175.31 1siq n ASP 176 N -1.28 2.76 -4.23 0.00 9.92 0.15 -4.65 116.55 119.22 1siq n ASP 176 Ca 0.07 -0.03 -0.31 0.00 -0.53 0.00 0.00 54.79 53.99 1siq n ASP 176 Cb 0.54 0.37 -0.17 0.00 -0.64 0.00 0.00 41.12 41.22 1siq n ASP 176 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1siq s LEU 177 N -5.12 2.05 -0.17 0.64 0.20 -0.93 -1.66 118.68 113.68 1siq s LEU 177 Ca -0.10 -0.50 0.01 0.00 0.69 0.00 0.00 54.13 54.23 1siq s LEU 177 Cb 0.03 -1.33 0.02 0.00 -0.43 0.00 0.00 46.19 44.49 1siq s LEU 177 CO 0.36 0.21 -0.19 -0.36 -0.29 0.00 0.00 176.35 176.08 1siq s PHE 178 N 0.01 2.66 -0.52 5.38 0.08 0.24 -1.75 117.98 124.07 1siq s PHE 178 Ca -0.08 -1.55 -0.17 0.00 0.12 0.00 0.00 56.93 55.25 1siq s PHE 178 Cb -0.15 -1.85 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 1siq s PHE 178 CO 0.05 -0.77 0.51 0.08 -0.10 0.00 0.00 175.22 174.99 1siq s VAL 179 N 1.30 5.11 -0.08 -0.44 1.01 -0.52 -0.28 120.40 126.51 1siq s VAL 179 Ca 0.04 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 1siq s VAL 179 Cb -0.13 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 1siq s VAL 179 CO -0.12 -0.80 0.01 -0.69 0.00 0.00 0.00 175.10 173.50 1siq s VAL 180 N 1.92 4.38 -0.18 2.92 1.01 0.29 -0.27 120.40 130.47 1siq s VAL 180 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.76 1siq s VAL 180 Cb -0.26 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1siq s VAL 180 CO 0.06 0.59 -0.02 0.26 0.00 0.00 0.00 175.10 175.98 1siq s TRP 181 N -0.91 3.02 0.03 5.22 0.52 -0.78 0.31 118.94 126.35 1siq s TRP 181 Ca 0.14 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 55.85 1siq s TRP 181 Cb -0.11 -2.02 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 1siq s TRP 181 CO 0.03 -0.16 -0.06 0.00 0.02 0.00 0.00 176.95 176.78 1siq s ALA 182 N 0.71 0.38 0.10 0.98 0.00 -0.69 -4.87 121.76 118.37 1siq s ALA 182 Ca -0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 1siq s ALA 182 Cb -0.14 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 1siq s ALA 182 CO 0.02 -0.08 0.98 0.50 0.00 0.00 0.00 175.76 177.19 1siq s ARG 183 N -1.49 4.66 0.43 0.00 3.52 -0.30 -1.39 118.95 124.38 1siq s ARG 183 Ca -0.12 1.48 0.05 0.00 -0.13 0.00 0.00 55.73 57.02 1siq s ARG 183 Cb -0.10 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1siq s ARG 183 CO -0.00 0.15 0.60 0.00 -0.81 0.00 0.00 175.30 175.24 1siq h GLU 185 N 0.57 0.00 -0.00 0.00 5.08 -1.85 -0.33 114.58 118.05 1siq h GLU 185 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1siq h GLU 185 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1siq h GLU 185 CO 0.50 0.00 -0.02 -0.40 -1.00 0.00 0.00 179.01 178.09 1siq n ASP 186 N -4.05 0.20 0.00 1.42 5.75 -1.26 -4.90 116.55 113.71 1siq n ASP 186 Ca -0.03 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 1siq n ASP 186 Cb 0.10 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1siq n ASP 186 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1siq n GLY 187 N 1.16 3.33 3.82 6.12 0.00 -0.13 -5.05 105.19 114.44 1siq n GLY 187 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1siq n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1siq s ILE 189 N -1.99 4.80 0.37 0.00 -5.25 0.37 0.07 121.20 119.58 1siq s ILE 189 Ca 0.56 -0.02 0.08 0.00 -0.99 0.00 0.00 60.65 60.28 1siq s ILE 189 Cb -0.11 -3.19 -0.06 0.00 2.95 0.00 0.00 42.46 42.05 1siq s ILE 189 CO 0.16 0.42 0.05 -0.13 -1.79 0.00 0.00 174.94 173.66 1siq s ARG 190 N 0.66 2.08 -0.17 0.37 0.52 -0.49 -3.41 118.95 118.51 1siq s ARG 190 Ca 0.04 -1.86 -0.06 0.00 -0.52 0.00 0.00 55.73 53.33 1siq s ARG 190 Cb -0.13 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.43 1siq s ARG 190 CO 0.02 0.03 0.03 0.20 0.02 0.00 0.00 175.30 175.60 1siq s GLY 191 N -3.76 1.86 -0.00 -3.53 0.00 -1.26 -1.70 107.32 98.92 1siq s GLY 191 Ca 0.36 -0.76 0.08 0.00 0.00 0.00 0.00 44.72 44.40 1siq s GLY 191 CO 0.20 -0.01 -0.24 -1.36 0.00 0.00 0.00 173.10 171.69 1siq s PHE 192 N 0.30 2.41 -0.30 1.90 0.08 0.15 -1.04 117.98 121.47 1siq s PHE 192 Ca 0.01 -0.37 -0.13 0.00 0.12 0.00 0.00 56.93 56.56 1siq s PHE 192 Cb -0.13 -1.49 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 1siq s PHE 192 CO 0.01 0.06 0.28 -0.51 -0.10 0.00 0.00 175.22 174.96 1siq s LEU 193 N -0.85 4.21 0.26 -0.37 1.43 0.43 -0.55 118.68 123.23 1siq s LEU 193 Ca 0.11 -0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 1siq s LEU 193 Cb -0.10 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1siq s LEU 193 CO 0.01 -0.17 0.01 -0.76 0.23 0.00 0.00 176.35 175.66 1siq s LEU 194 N 1.87 3.25 0.01 1.79 1.43 0.61 -4.87 118.68 122.77 1siq s LEU 194 Ca 0.10 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.64 1siq s LEU 194 Cb -0.16 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1siq s LEU 194 CO 0.11 0.01 -0.12 -1.61 0.23 0.00 0.00 176.35 174.97 1siq s GLU 195 N -3.61 0.90 0.41 1.70 2.02 -1.26 -0.59 118.70 118.27 1siq s GLU 195 Ca 0.31 -0.54 -0.25 0.00 0.02 0.00 0.00 54.97 54.52 1siq s GLU 195 Cb -0.07 -0.87 -0.11 0.00 0.10 0.00 0.00 34.13 33.18 1siq s GLU 195 CO 0.20 0.23 1.04 0.36 0.02 0.00 0.00 175.26 177.11 1siq n LYS 196 N 2.44 1.42 0.00 1.61 2.85 -0.67 -2.15 118.16 123.66 1siq n LYS 196 Ca -0.16 0.51 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 1siq n LYS 196 Cb 0.56 -2.07 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 1siq n LYS 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1siq n GLY 197 N 1.14 2.63 3.70 2.58 0.00 -1.26 -5.05 105.19 108.94 1siq n GLY 197 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1siq n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1siq n MET 198 N -0.48 2.40 -1.83 1.61 2.81 -0.91 -4.87 117.12 115.85 1siq n MET 198 Ca 0.00 0.86 -0.42 0.00 -1.81 0.00 0.00 57.70 56.33 1siq n MET 198 Cb 0.00 -2.61 -0.03 0.00 -0.71 0.00 0.00 33.22 29.87 1siq n MET 198 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1siq s ARG 199 N 0.10 4.16 0.00 0.03 6.06 -1.26 -2.29 118.95 125.76 1siq s ARG 199 Ca 0.70 2.50 0.00 0.00 -2.50 0.00 0.00 55.73 56.43 1siq s ARG 199 Cb -0.58 -3.09 0.00 0.00 0.06 0.00 0.00 34.95 31.34 1siq s ARG 199 CO 0.44 -0.65 0.00 0.41 -2.50 0.00 0.00 175.30 172.99 1siq n GLY 200 N 3.35 0.78 3.60 8.12 0.00 -1.26 -4.42 105.19 115.36 1siq n GLY 200 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1siq n GLY 200 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1siq s LEU 201 N 0.00 4.03 0.07 0.99 2.96 -0.97 -0.59 118.68 125.17 1siq s LEU 201 Ca 0.00 0.17 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 1siq s LEU 201 Cb 0.00 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1siq s LEU 201 CO 0.00 -0.13 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.26 1siq s SER 202 N 1.67 2.39 -0.40 3.68 0.01 -0.01 -4.83 113.70 116.22 1siq s SER 202 Ca 0.12 -0.58 0.08 0.00 1.31 0.00 0.00 55.95 56.88 1siq s SER 202 Cb -0.16 -0.16 0.25 0.00 0.21 0.00 0.00 66.02 66.16 1siq s SER 202 CO 0.10 0.10 0.54 0.00 0.41 0.00 0.00 173.24 174.39 1siq n ALA 203 N 1.53 2.46 -1.78 1.44 0.00 -1.26 -0.21 120.51 122.69 1siq n ALA 203 Ca -0.18 -3.44 -0.35 0.00 0.00 0.00 0.00 53.44 49.47 1siq n ALA 203 Cb 0.54 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 1siq n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1siq s PRO 204 N -1.28 3.63 0.43 0.00 0.04 -1.26 -4.16 135.00 132.41 1siq s PRO 204 Ca 0.35 1.52 -0.22 0.00 0.04 0.00 0.00 61.00 62.70 1siq s PRO 204 Cb 0.18 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1siq s PRO 204 CO -0.11 -0.60 0.98 0.50 0.04 0.00 0.00 177.00 177.81 1siq s ARG 205 N -3.14 4.17 -0.15 4.56 3.52 -1.26 -1.31 118.95 125.33 1siq s ARG 205 Ca 0.69 1.22 -0.13 0.00 -0.13 0.00 0.00 55.73 57.37 1siq s ARG 205 Cb -0.21 -2.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.89 1siq s ARG 205 CO 0.25 -0.10 0.28 0.42 -0.81 0.00 0.00 175.30 175.34 1siq s ILE 206 N -2.05 5.31 0.32 4.11 1.01 0.09 -4.89 121.20 125.09 1siq s ILE 206 Ca 0.62 0.52 0.08 0.00 0.00 0.00 0.00 60.65 61.87 1siq s ILE 206 Cb -0.12 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1siq s ILE 206 CO 0.16 0.42 0.15 -1.10 0.00 0.00 0.00 174.94 174.58 1siq s GLN 207 N 0.23 2.46 0.00 2.79 1.11 -1.26 -4.70 119.66 120.29 1siq s GLN 207 Ca 0.16 -1.46 0.00 0.00 0.01 0.00 0.00 55.36 54.08 1siq s GLN 207 Cb -0.13 -2.25 0.00 0.00 -1.01 0.00 0.00 33.01 29.62 1siq s GLN 207 CO 0.04 0.16 0.00 0.41 0.01 0.00 0.00 175.29 175.91 1siq n GLY 208 N -1.16 0.64 3.75 3.09 0.00 -1.26 -5.04 105.19 105.22 1siq n GLY 208 Ca -0.04 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1siq n GLY 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1siq s LYS 209 N -0.64 4.54 -0.20 1.61 1.02 -1.26 -4.94 119.74 119.87 1siq s LYS 209 Ca 0.00 1.89 0.14 0.00 0.02 0.00 0.00 55.97 58.02 1siq s LYS 209 Cb 0.00 -3.19 0.45 0.00 -0.52 0.00 0.00 37.83 34.56 1siq s LYS 209 CO 0.00 0.04 1.19 1.19 -0.92 0.00 0.00 175.35 176.84 1siq n PHE 210 N 1.67 0.99 -3.61 3.18 3.72 -1.26 -4.86 117.46 117.29 1siq n PHE 210 Ca 0.01 -1.62 -0.14 0.00 -0.05 0.00 0.00 57.45 55.65 1siq n PHE 210 Cb 0.44 -0.25 -0.07 0.00 -0.94 0.00 0.00 39.48 38.66 1siq n PHE 210 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1siq s SER 211 N -3.20 -0.71 -1.52 4.37 0.15 -1.26 -4.72 113.70 106.81 1siq s SER 211 Ca 0.39 1.28 -0.11 0.00 0.70 0.00 0.00 55.95 58.21 1siq s SER 211 Cb 0.38 1.26 0.08 0.00 -1.71 0.00 0.00 66.02 66.03 1siq s SER 211 CO -0.05 -0.30 0.85 0.18 1.20 0.00 0.00 173.24 175.12 1siq n LEU 212 N 2.34 -2.46 0.26 3.45 4.77 -1.26 -4.88 117.00 119.22 1siq n LEU 212 Ca -0.15 -0.85 0.12 0.00 -0.03 0.00 0.00 56.01 55.11 1siq n LEU 212 Cb 0.55 -2.46 0.70 0.00 -2.33 0.00 0.00 43.42 39.88 1siq n LEU 212 CO 0.06 0.43 0.96 0.03 -1.33 0.00 0.00 177.39 177.54 1siq h ARG 213 N -1.93 0.00 -0.06 3.23 3.08 -1.89 -1.90 114.38 114.91 1siq h ARG 213 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1siq h ARG 213 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1siq h ARG 213 CO 0.67 0.13 0.00 0.00 -1.07 0.00 0.00 179.97 179.70 1siq n ALA 214 N -2.30 2.57 -2.59 0.04 0.00 -1.26 -4.01 120.51 112.96 1siq n ALA 214 Ca -0.02 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.84 1siq n ALA 214 Cb 0.25 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.37 1siq n ALA 214 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1siq s SER 215 N -1.53 4.70 -0.16 0.00 0.15 -0.71 -4.17 113.70 111.97 1siq s SER 215 Ca 0.28 -0.02 -0.26 0.00 0.70 0.00 0.00 55.95 56.65 1siq s SER 215 Cb 0.14 -1.19 -0.02 0.00 -1.71 0.00 0.00 66.02 63.24 1siq s SER 215 CO 0.22 0.36 0.84 0.00 1.20 0.00 0.00 173.24 175.86 1siq s ALA 216 N -0.84 3.50 -0.05 5.45 0.00 -1.26 -4.93 121.76 123.63 1siq s ALA 216 Ca 0.13 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1siq s ALA 216 Cb -0.11 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1siq s ALA 216 CO 0.02 -0.62 -0.11 0.99 0.00 0.00 0.00 175.76 176.04 1siq s THR 217 N 2.07 1.03 0.00 0.00 2.01 -1.26 0.61 115.64 120.10 1siq s THR 217 Ca 0.39 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1siq s THR 217 Cb -0.17 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1siq s THR 217 CO 0.13 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 1siq n GLY 218 N 3.68 3.64 3.82 4.40 0.00 -0.22 -0.73 105.19 119.77 1siq n GLY 218 Ca -0.22 -1.11 -0.28 0.00 0.00 0.00 0.00 46.02 44.41 1siq n GLY 218 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1siq s MET 219 N 0.16 2.23 -0.28 1.61 -1.94 -0.43 0.12 119.30 120.78 1siq s MET 219 Ca 0.00 -2.07 -0.03 0.00 -1.71 0.00 0.00 55.69 51.88 1siq s MET 219 Cb 0.00 -1.91 0.09 0.00 2.01 0.00 0.00 34.83 35.02 1siq s MET 219 CO 0.00 -0.40 0.10 0.42 -0.01 0.00 0.00 175.02 175.13 1siq s ILE 220 N -2.75 0.35 -0.25 2.53 1.01 -0.06 -4.11 121.20 117.92 1siq s ILE 220 Ca 0.28 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 1siq s ILE 220 Cb 0.01 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 1siq s ILE 220 CO 0.17 -0.62 0.18 -0.63 0.00 0.00 0.00 174.94 174.03 1siq s ILE 221 N 1.90 5.34 -0.35 2.92 1.01 0.70 -1.02 121.20 131.69 1siq s ILE 221 Ca 0.08 0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.90 1siq s ILE 221 Cb -0.17 -3.52 0.07 0.00 0.01 0.00 0.00 42.46 38.86 1siq s ILE 221 CO -0.28 0.31 0.10 -0.04 0.00 0.00 0.00 174.94 175.03 1siq s MET 222 N 1.29 2.25 -1.02 2.79 -1.94 -0.44 -0.83 119.30 121.40 1siq s MET 222 Ca 0.08 -1.50 -0.09 0.00 -1.71 0.00 0.00 55.69 52.46 1siq s MET 222 Cb -0.14 -3.38 0.26 0.00 2.01 0.00 0.00 34.83 33.57 1siq s MET 222 CO 0.07 -0.82 0.99 -0.51 -0.01 0.00 0.00 175.02 174.73 1siq s ASP 223 N 1.50 7.03 -1.18 3.03 -0.00 0.24 -2.23 116.67 125.07 1siq s ASP 223 Ca 0.01 -3.39 -0.01 0.00 -0.00 0.00 0.00 52.55 49.17 1siq s ASP 223 Cb -0.21 -2.17 -0.01 0.00 -0.00 0.00 0.00 42.92 40.53 1siq s ASP 223 CO -0.02 -0.34 0.98 0.61 -0.00 0.00 0.00 175.17 176.40 1siq n GLY 224 N 2.97 -0.49 3.71 0.21 0.00 -0.92 -4.52 105.19 106.15 1siq n GLY 224 Ca 0.21 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1siq n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1siq s VAL 225 N -3.37 4.89 -0.25 1.61 1.01 -0.53 -4.77 120.40 118.99 1siq s VAL 225 Ca 0.08 1.93 -0.16 0.00 0.00 0.00 0.00 61.98 63.83 1siq s VAL 225 Cb -0.01 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1siq s VAL 225 CO 0.73 0.14 0.42 -0.70 0.00 0.00 0.00 175.10 175.70 1siq s GLU 226 N 1.19 4.07 -0.17 2.72 2.12 -1.26 -0.08 118.70 127.30 1siq s GLU 226 Ca 0.48 0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.97 1siq s GLU 226 Cb -0.20 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.56 1siq s GLU 226 CO 0.24 -0.24 -0.12 0.08 -0.54 0.00 0.00 175.26 174.68 1siq s VAL 227 N 1.95 2.88 0.68 3.70 1.01 0.14 -4.94 120.40 125.82 1siq s VAL 227 Ca 0.18 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.30 1siq s VAL 227 Cb -0.15 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1siq s VAL 227 CO 0.09 0.49 1.28 -2.84 0.00 0.00 0.00 175.10 174.12 1siq s PRO 228 N 0.96 2.36 0.37 2.72 0.02 -1.26 -0.56 135.00 139.62 1siq s PRO 228 Ca -0.02 2.01 0.05 0.00 0.02 0.00 0.00 61.00 63.06 1siq s PRO 228 Cb -0.15 -1.83 0.75 0.00 0.02 0.00 0.00 34.50 33.29 1siq s PRO 228 CO -0.02 -1.73 2.01 0.93 -0.33 0.00 0.00 177.00 177.86 1siq h GLU 229 N 0.25 0.71 0.00 5.54 5.08 -1.85 -1.31 114.58 123.00 1siq h GLU 229 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1siq h GLU 229 Cb 1.33 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1siq h GLU 229 CO 0.52 0.47 0.00 -0.85 -1.00 0.00 0.00 179.01 178.14 1siq n GLU 230 N -4.46 0.10 -0.27 2.33 0.00 -1.26 -1.63 120.64 115.45 1siq n GLU 230 Ca 0.07 0.48 0.09 0.00 0.00 0.00 0.00 57.16 57.80 1siq n GLU 230 Cb 0.12 -1.75 0.23 0.00 0.00 0.00 0.00 31.44 30.04 1siq n GLU 230 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1siq n ASN 231 N -1.95 2.85 -4.89 -1.84 4.13 -0.49 -4.89 115.26 108.19 1siq n ASN 231 Ca 0.01 -2.00 -0.35 0.00 1.68 0.00 0.00 54.58 53.91 1siq n ASN 231 Cb 0.10 -0.36 -0.05 0.00 -1.54 0.00 0.00 39.78 37.93 1siq n ASN 231 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1siq s VAL 232 N -1.29 5.41 -0.58 2.41 1.01 -0.64 -0.43 120.40 126.29 1siq s VAL 232 Ca 0.36 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.20 1siq s VAL 232 Cb 0.19 -3.50 0.04 0.00 0.00 0.00 0.00 36.38 33.11 1siq s VAL 232 CO 0.24 0.46 1.03 -0.76 0.00 0.00 0.00 175.10 176.07 1siq s LEU 233 N -1.49 3.90 0.07 3.92 1.02 -0.21 -4.84 118.68 121.05 1siq s LEU 233 Ca 0.22 -0.28 0.11 0.00 0.02 0.00 0.00 54.13 54.20 1siq s LEU 233 Cb -0.13 -2.88 0.48 0.00 0.02 0.00 0.00 46.19 43.69 1siq s LEU 233 CO 0.12 -1.34 1.33 -0.81 0.02 0.00 0.00 176.35 175.67 1siq n PRO 234 N 7.84 0.04 0.00 1.29 -0.04 -1.15 -3.28 135.00 139.70 1siq n PRO 234 Ca 0.03 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.03 1siq n PRO 234 Cb 0.48 -1.60 0.09 0.00 -0.04 0.00 0.00 33.50 32.42 1siq n PRO 234 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1siq n GLY 235 N -0.76 0.38 3.45 0.55 0.00 0.78 -4.95 105.19 104.64 1siq n GLY 235 Ca 0.01 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1siq n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1siq s ALA 236 N -2.27 2.58 0.00 4.61 0.00 -1.21 -4.86 121.76 120.61 1siq s ALA 236 Ca 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1siq s ALA 236 Cb 0.19 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1siq s ALA 236 CO 0.45 0.57 0.00 -1.13 0.00 0.00 0.00 175.76 175.65 1siq n SER 237 N 1.58 0.44 -3.31 0.00 3.41 -1.26 -4.72 113.62 109.76 1siq n SER 237 Ca -0.16 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.37 1siq n SER 237 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1siq n SER 237 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1siq s SER 238 N -4.71 0.20 0.00 4.04 0.15 -1.22 -0.48 113.70 111.67 1siq s SER 238 Ca 0.00 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1siq s SER 238 Cb 0.00 1.19 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1siq s SER 238 CO 0.00 -0.33 0.00 0.18 1.20 0.00 0.00 173.24 174.29 1siq n LEU 239 N 5.36 0.00 -0.01 3.45 4.77 -1.26 -4.51 117.00 124.80 1siq n LEU 239 Ca -0.01 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.93 1siq n LEU 239 Cb 0.50 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.76 1siq n LEU 239 CO 0.01 0.00 0.72 1.23 -1.33 0.00 0.00 177.39 178.02 1siq h GLY 240 N 0.00 0.60 0.86 -0.72 0.00 -1.93 0.18 103.07 102.05 1siq h GLY 240 Ca 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1siq h GLY 240 CO 0.00 0.46 -0.31 -1.33 0.00 0.00 0.00 176.54 175.36 1siq h GLY 241 N 1.01 -0.90 0.92 4.60 0.00 -1.92 -0.03 103.07 106.75 1siq h GLY 241 Ca 0.07 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1siq h GLY 241 CO 0.05 -0.33 0.11 -0.56 0.00 0.00 0.00 176.54 175.82 1siq h PRO 242 N -1.02 0.39 -0.77 4.80 0.13 -1.93 -2.35 132.00 131.24 1siq h PRO 242 Ca -0.09 -0.06 0.06 0.00 -0.87 0.00 0.00 66.00 65.04 1siq h PRO 242 Cb 0.70 -0.07 -0.05 0.00 0.13 0.00 0.00 31.00 31.72 1siq h PRO 242 CO 0.15 0.40 0.51 0.35 -0.23 0.00 0.00 178.00 179.17 1siq h PHE 243 N 0.28 0.84 -0.21 1.56 3.57 -0.99 0.28 116.94 122.27 1siq h PHE 243 Ca 0.09 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1siq h PHE 243 Cb 0.15 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1siq h PHE 243 CO -0.01 0.45 0.07 0.78 -2.23 0.00 0.00 178.31 177.36 1siq h GLY 244 N 0.83 0.34 1.01 2.40 0.00 -0.72 -2.21 103.07 104.72 1siq h GLY 244 Ca 0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1siq h GLY 244 CO -0.11 0.18 0.40 0.00 0.00 0.00 0.00 176.54 177.01 1siq h LEU 246 N 0.99 0.87 -1.33 0.00 3.38 -0.18 -1.22 115.31 117.81 1siq h LEU 246 Ca 0.25 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1siq h LEU 246 Cb 0.03 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1siq h LEU 246 CO -0.04 0.47 -0.06 0.78 0.09 0.00 0.00 178.44 179.68 1siq h ASN 247 N 0.93 0.35 -0.15 -0.43 2.35 -1.04 -0.16 115.58 117.44 1siq h ASN 247 Ca 0.48 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 56.00 1siq h ASN 247 Cb 0.51 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1siq h ASN 247 CO -0.24 0.46 -0.50 0.78 -1.65 0.00 0.00 177.43 176.28 1siq h ASN 248 N 0.36 0.79 -0.33 5.81 2.35 -1.25 -1.76 115.58 121.56 1siq h ASN 248 Ca 0.08 -0.40 -0.13 0.00 -0.55 0.00 0.00 56.30 55.29 1siq h ASN 248 Cb 0.34 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1siq h ASN 248 CO 0.01 1.15 -0.31 0.00 -1.65 0.00 0.00 177.43 176.63 1siq h ALA 249 N 0.87 0.48 -0.48 -0.83 0.00 -1.08 -2.89 119.26 115.33 1siq h ALA 249 Ca 0.02 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1siq h ALA 249 Cb 1.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1siq h ALA 249 CO 0.10 0.52 0.16 0.00 0.00 0.00 0.00 179.25 180.03 1siq h ARG 250 N 0.56 0.70 -0.25 0.00 3.08 -0.96 -1.24 114.38 116.27 1siq h ARG 250 Ca 0.05 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1siq h ARG 250 Cb 0.89 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1siq h ARG 250 CO 0.08 0.61 0.12 -0.92 -1.07 0.00 0.00 179.97 178.78 1siq h TYR 251 N 0.69 0.37 -0.16 3.04 5.03 -1.23 -1.02 116.97 123.69 1siq h TYR 251 Ca 0.16 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1siq h TYR 251 Cb 0.19 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1siq h TYR 251 CO 0.01 0.36 -0.01 0.78 -1.32 0.00 0.00 178.16 177.98 1siq h GLY 252 N 0.27 0.25 1.10 1.82 0.00 -1.21 -2.62 103.07 102.67 1siq h GLY 252 Ca 0.09 -0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.14 1siq h GLY 252 CO -0.01 0.12 -0.39 -2.22 0.00 0.00 0.00 176.54 174.03 1siq h ILE 253 N 0.23 1.28 -0.75 2.60 2.04 -0.71 -1.13 117.51 121.08 1siq h ILE 253 Ca 0.06 -1.57 0.07 0.00 1.00 0.00 0.00 64.86 64.42 1siq h ILE 253 Cb 0.18 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1siq h ILE 253 CO 0.00 0.52 0.49 0.00 0.00 0.00 0.00 178.15 179.16 1siq h ALA 254 N 0.74 1.70 0.02 1.87 0.00 -0.82 -2.32 119.26 120.44 1siq h ALA 254 Ca 0.05 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1siq h ALA 254 Cb 0.99 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1siq h ALA 254 CO 0.10 0.18 -0.01 -1.49 0.00 0.00 0.00 179.25 178.02 1siq h TRP 255 N 0.77 -0.02 -0.44 0.00 4.06 -1.46 -3.38 115.95 115.48 1siq h TRP 255 Ca 0.33 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.37 1siq h TRP 255 Cb 0.29 0.01 -0.09 0.00 -1.00 0.00 0.00 29.16 28.36 1siq h TRP 255 CO -0.00 0.76 -0.18 0.78 -3.56 0.00 0.00 178.44 176.23 1siq h GLY 256 N -0.88 0.17 1.71 1.49 0.00 -0.90 -1.70 103.07 102.95 1siq h GLY 256 Ca -0.00 0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1siq h GLY 256 CO 0.00 -0.20 0.13 -0.39 0.00 0.00 0.00 176.54 176.09 1siq h VAL 257 N -0.09 0.18 0.00 4.60 -1.51 -1.61 0.33 116.25 118.16 1siq h VAL 257 Ca 0.21 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.59 1siq h VAL 257 Cb 0.42 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1siq h VAL 257 CO -0.50 0.00 -0.46 -0.07 -1.23 0.00 0.00 177.57 175.31 1siq h LEU 258 N 0.00 0.00 -0.33 4.19 3.38 -1.48 -1.50 115.31 119.57 1siq h LEU 258 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1siq h LEU 258 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1siq h LEU 258 CO -0.00 0.46 -0.05 1.23 0.09 0.00 0.00 178.44 180.17 1siq h GLY 259 N 1.77 0.66 1.21 0.83 0.00 -0.37 -0.44 103.07 106.73 1siq h GLY 259 Ca -0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1siq h GLY 259 CO 0.06 0.48 0.08 0.00 0.00 0.00 0.00 176.54 177.16 1siq h ALA 260 N 0.82 1.02 -0.08 3.60 0.00 -1.43 -1.29 119.26 121.90 1siq h ALA 260 Ca 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1siq h ALA 260 Cb 0.53 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1siq h ALA 260 CO 0.03 0.62 0.02 0.77 0.00 0.00 0.00 179.25 180.69 1siq h SER 261 N 0.91 0.11 -0.88 0.00 0.02 -1.09 -1.36 113.55 111.26 1siq h SER 261 Ca 0.18 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1siq h SER 261 Cb 0.42 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1siq h SER 261 CO 0.01 0.29 0.56 -0.33 -1.14 0.00 0.00 176.83 176.22 1siq h GLU 262 N -0.07 1.01 -0.61 3.45 5.08 -0.91 0.23 114.58 122.77 1siq h GLU 262 Ca 0.03 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1siq h GLU 262 Cb 0.22 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1siq h GLU 262 CO -0.00 0.67 0.34 0.35 -1.00 0.00 0.00 179.01 179.36 1siq h PHE 263 N 1.04 0.84 -0.64 4.33 3.04 -1.00 0.02 116.94 124.56 1siq h PHE 263 Ca 0.37 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 62.21 1siq h PHE 263 Cb 0.11 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 1siq h PHE 263 CO -0.02 0.60 0.05 0.00 -2.02 0.00 0.00 178.31 176.92 1siq h LEU 265 N 1.01 -0.02 -0.83 0.00 5.85 -0.21 -0.79 115.31 120.33 1siq h LEU 265 Ca 0.19 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1siq h LEU 265 Cb 0.51 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1siq h LEU 265 CO 0.02 0.10 0.55 0.45 -0.34 0.00 0.00 178.44 179.22 1siq h HIS 266 N -0.14 1.03 -0.11 1.25 3.86 -0.89 0.35 115.15 120.50 1siq h HIS 266 Ca -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1siq h HIS 266 Cb 0.13 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.25 1siq h HIS 266 CO -0.04 0.64 0.01 1.15 0.86 0.00 0.00 177.93 180.55 1siq h THR 267 N 1.11 1.24 -0.82 2.45 2.02 -1.10 -1.47 112.91 116.33 1siq h THR 267 Ca 0.31 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 1siq h THR 267 Cb -0.10 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1siq h THR 267 CO -0.08 0.22 0.41 0.00 0.37 0.00 0.00 175.52 176.45 1siq h ALA 268 N 0.76 1.06 0.61 6.16 0.00 -0.92 -0.84 119.26 126.09 1siq h ALA 268 Ca 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1siq h ALA 268 Cb 0.33 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1siq h ALA 268 CO 0.00 0.61 -0.29 -0.09 0.00 0.00 0.00 179.25 179.48 1siq h ARG 269 N 1.16 -0.79 -0.93 0.00 2.43 -0.85 -0.31 114.38 115.09 1siq h ARG 269 Ca 0.29 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.60 1siq h ARG 269 Cb 0.09 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 1siq h ARG 269 CO -0.04 -0.49 0.58 1.96 -1.51 0.00 0.00 179.97 180.47 1siq h GLN 270 N -0.93 0.96 -0.48 0.20 1.08 -1.20 -1.39 115.11 113.35 1siq h GLN 270 Ca -0.08 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1siq h GLN 270 Cb 0.66 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.85 1siq h GLN 270 CO 0.14 0.64 0.23 -0.92 -0.95 0.00 0.00 178.83 177.97 1siq h TYR 271 N 0.99 0.70 0.00 2.96 3.20 -1.02 -0.73 116.97 123.08 1siq h TYR 271 Ca 0.43 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1siq h TYR 271 Cb 0.31 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.36 1siq h TYR 271 CO -0.02 0.56 -0.07 0.00 -1.64 0.00 0.00 178.16 176.99 1siq h ALA 272 N 1.07 1.53 0.14 1.82 0.00 0.01 0.33 119.26 124.17 1siq h ALA 272 Ca 0.17 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 1siq h ALA 272 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1siq h ALA 272 CO -0.02 0.08 -1.55 -0.07 0.00 0.00 0.00 179.25 177.69 1siq h LEU 273 N 0.00 0.47 0.18 0.00 3.38 -0.75 0.14 115.31 118.73 1siq h LEU 273 Ca -0.00 -0.63 -0.33 0.00 0.09 0.00 0.00 57.88 57.00 1siq h LEU 273 Cb 0.16 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.76 1siq h LEU 273 CO 0.01 1.53 -1.61 0.44 0.09 0.00 0.00 178.44 178.90 1siq h ASP 274 N 0.08 0.60 -3.22 -0.43 3.45 -0.76 -3.45 116.42 112.68 1siq h ASP 274 Ca -0.26 -0.79 -0.54 0.00 0.43 0.00 0.00 57.03 55.87 1siq h ASP 274 Cb 2.04 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 40.61 1siq h ASP 274 CO 0.18 1.65 0.54 -0.60 -1.57 0.00 0.00 179.24 179.44 1siq s ARG 275 N -2.60 4.45 -0.03 3.56 6.06 0.11 -4.99 118.95 125.51 1siq s ARG 275 Ca -0.12 1.68 0.06 0.00 -2.50 0.00 0.00 55.73 54.85 1siq s ARG 275 Cb 0.06 -3.40 -0.01 0.00 0.06 0.00 0.00 34.95 31.65 1siq s ARG 275 CO 0.88 -0.24 -0.22 -1.64 -2.50 0.00 0.00 175.30 171.57 1siq s MET 276 N 1.23 2.04 -0.08 5.12 -1.94 -1.26 -1.28 119.30 123.13 1siq s MET 276 Ca 0.57 -0.80 -0.14 0.00 -1.71 0.00 0.00 55.69 53.61 1siq s MET 276 Cb -0.27 -1.85 0.03 0.00 2.01 0.00 0.00 34.83 34.75 1siq s MET 276 CO 0.28 0.41 0.34 -0.65 -0.01 0.00 0.00 175.02 175.39 1siq s GLN 277 N -0.32 0.54 -1.61 2.03 -1.52 -0.61 -4.86 119.66 113.30 1siq s GLN 277 Ca 0.03 0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.61 1siq s GLN 277 Cb -0.11 0.25 0.00 0.00 -0.22 0.00 0.00 33.01 32.93 1siq s GLN 277 CO 0.01 -0.11 0.00 1.19 -0.25 0.00 0.00 175.29 176.13 1siq n PHE 278 N 2.13 -0.89 -0.98 0.91 3.72 -1.26 -2.47 117.46 118.62 1siq n PHE 278 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1siq n PHE 278 Cb 0.57 -3.67 0.00 0.00 -0.94 0.00 0.00 39.48 35.44 1siq n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1siq n GLY 279 N -1.02 0.40 3.21 1.37 0.00 -1.26 -5.00 105.19 102.89 1siq n GLY 279 Ca -0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1siq n GLY 279 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1siq s VAL 280 N -1.91 0.13 0.47 1.61 -7.23 -1.03 -5.13 120.40 107.30 1siq s VAL 280 Ca 0.00 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.47 1siq s VAL 280 Cb 0.00 -1.61 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 1siq s VAL 280 CO 0.00 -0.61 1.13 -2.16 -0.31 0.00 0.00 175.10 173.16 1siq s PRO 281 N -3.93 3.75 0.47 4.82 0.04 -1.26 -1.58 135.00 137.31 1siq s PRO 281 Ca 0.11 1.68 0.22 0.00 0.04 0.00 0.00 61.00 63.05 1siq s PRO 281 Cb 0.06 -2.33 1.23 0.00 0.04 0.00 0.00 34.50 33.49 1siq s PRO 281 CO -0.06 -0.53 1.89 -0.07 0.04 0.00 0.00 177.00 178.27 1siq h LEU 282 N 1.93 0.24 -1.33 -3.56 3.38 -0.46 0.58 115.31 116.10 1siq h LEU 282 Ca -0.49 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1siq h LEU 282 Cb 1.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1siq h LEU 282 CO 0.60 0.10 0.05 0.00 0.09 0.00 0.00 178.44 179.28 1siq n ALA 283 N -2.59 0.98 0.23 1.53 0.00 0.44 -1.35 120.51 119.75 1siq n ALA 283 Ca 0.17 0.19 0.12 0.00 0.00 0.00 0.00 53.44 53.92 1siq n ALA 283 Cb 0.74 -1.23 0.34 0.00 0.00 0.00 0.00 19.45 19.31 1siq n ALA 283 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1siq h ARG 284 N 0.00 0.00 -6.58 0.00 1.12 -1.15 -3.43 114.38 104.34 1siq h ARG 284 Ca 0.00 0.00 -0.51 0.00 -1.11 0.00 0.00 59.98 58.36 1siq h ARG 284 Cb 0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.03 1siq h ARG 284 CO 0.00 0.08 0.35 -0.80 -3.11 0.00 0.00 179.97 176.49 1siq s ASN 285 N -6.08 7.51 0.17 -3.80 0.01 -0.45 -4.97 114.94 107.33 1siq s ASN 285 Ca 0.04 1.80 -0.14 0.00 -0.71 0.00 0.00 52.86 53.85 1siq s ASN 285 Cb 0.07 -2.59 0.13 0.00 0.41 0.00 0.00 41.25 39.27 1siq s ASN 285 CO 0.64 -0.03 1.75 1.56 -1.51 0.00 0.00 177.10 179.50 1siq h GLN 286 N 5.39 0.31 -0.92 -0.60 4.20 -1.89 -1.38 115.11 120.23 1siq h GLN 286 Ca -0.43 -0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.38 1siq h GLN 286 Cb 1.21 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.85 1siq h GLN 286 CO 0.71 0.20 0.59 -0.07 -0.67 0.00 0.00 178.83 179.59 1siq h LEU 287 N 0.32 0.78 -0.14 1.46 4.07 -1.95 -1.47 115.31 118.38 1siq h LEU 287 Ca 0.21 0.03 -0.10 0.00 0.08 0.00 0.00 57.88 58.10 1siq h LEU 287 Cb 0.21 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.83 1siq h LEU 287 CO -0.22 0.42 -0.32 0.40 -1.08 0.00 0.00 178.44 177.64 1siq h ILE 288 N 0.84 1.37 -0.36 1.22 1.08 -1.63 -3.23 117.51 116.79 1siq h ILE 288 Ca 0.44 -1.60 -0.04 0.00 -0.39 0.00 0.00 64.86 63.28 1siq h ILE 288 Cb 0.54 2.04 -0.02 0.00 -3.07 0.00 0.00 36.82 36.31 1siq h ILE 288 CO -0.21 0.48 0.07 1.56 -0.69 0.00 0.00 178.15 179.36 1siq h GLN 289 N 0.06 0.54 -0.67 2.37 4.20 -0.60 -2.65 115.11 118.35 1siq h GLN 289 Ca -0.00 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 1siq h GLN 289 Cb 0.92 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 1siq h GLN 289 CO 0.07 0.51 0.19 -0.22 -0.67 0.00 0.00 178.83 178.70 1siq h LYS 290 N 0.53 1.06 -0.36 1.46 3.64 -1.35 -1.26 116.57 120.28 1siq h LYS 290 Ca 0.12 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1siq h LYS 290 Cb 0.22 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1siq h LYS 290 CO -0.00 0.93 0.22 0.87 -2.27 0.00 0.00 179.45 179.20 1siq h LYS 291 N 0.99 0.48 -0.77 1.90 1.57 -1.50 -1.00 116.57 118.25 1siq h LYS 291 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1siq h LYS 291 Cb 0.33 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 1siq h LYS 291 CO -0.00 0.35 0.44 -0.07 -0.57 0.00 0.00 179.45 179.60 1siq h LEU 292 N 0.47 0.94 -0.77 2.94 3.38 -1.26 -1.45 115.31 119.55 1siq h LEU 292 Ca 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1siq h LEU 292 Cb -0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1siq h LEU 292 CO -0.03 0.75 0.46 0.00 0.09 0.00 0.00 178.44 179.72 1siq h ALA 293 N 1.23 0.98 -0.47 1.53 0.00 -0.80 -1.60 119.26 120.13 1siq h ALA 293 Ca 0.27 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1siq h ALA 293 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1siq h ALA 293 CO -0.05 0.45 0.12 -0.44 0.00 0.00 0.00 179.25 179.33 1siq h ASP 294 N 1.05 0.71 0.15 0.00 3.32 -0.73 -1.53 116.42 119.40 1siq h ASP 294 Ca 0.28 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1siq h ASP 294 Cb -0.03 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1siq h ASP 294 CO -0.05 0.76 -0.07 0.24 -1.72 0.00 0.00 179.24 178.39 1siq h MET 295 N 0.64 -0.20 -0.89 3.56 2.86 -1.02 -1.96 114.93 117.92 1siq h MET 295 Ca 0.15 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1siq h MET 295 Cb 0.32 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 1siq h MET 295 CO 0.00 -0.13 0.58 1.25 1.06 0.00 0.00 176.91 179.67 1siq h LEU 296 N -0.21 0.97 0.33 1.22 5.85 -1.25 -1.59 115.31 120.63 1siq h LEU 296 Ca -0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1siq h LEU 296 Cb 0.16 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1siq h LEU 296 CO 0.03 0.68 -0.16 0.74 -0.34 0.00 0.00 178.44 179.39 1siq h THR 297 N 1.14 0.66 -0.61 1.05 2.02 -1.05 -1.68 112.91 114.44 1siq h THR 297 Ca 0.35 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.48 1siq h THR 297 Cb -0.03 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1siq h THR 297 CO -0.11 0.00 0.19 -0.33 0.37 0.00 0.00 175.52 175.65 1siq h GLU 298 N -0.45 0.94 -0.48 6.66 4.39 -1.20 -2.05 114.58 122.39 1siq h GLU 298 Ca -0.04 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.48 1siq h GLU 298 Cb 0.35 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1siq h GLU 298 CO 0.07 0.84 0.27 0.82 -1.16 0.00 0.00 179.01 179.85 1siq h ILE 299 N 0.86 1.03 -0.47 3.13 2.04 -1.22 -2.20 117.51 120.69 1siq h ILE 299 Ca 0.20 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1siq h ILE 299 Cb 0.29 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1siq h ILE 299 CO -0.01 0.10 0.25 0.74 0.00 0.00 0.00 178.15 179.23 1siq h THR 300 N 0.55 1.17 -0.87 -0.27 2.02 -1.07 -0.60 112.91 113.84 1siq h THR 300 Ca 0.19 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1siq h THR 300 Cb 0.04 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1siq h THR 300 CO -0.10 0.18 0.50 -0.07 0.37 0.00 0.00 175.52 176.41 1siq h LEU 301 N 0.61 1.07 -0.43 2.58 3.38 -1.21 -2.75 115.31 118.57 1siq h LEU 301 Ca 0.16 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1siq h LEU 301 Cb 0.07 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1siq h LEU 301 CO -0.02 0.84 -0.46 1.23 0.09 0.00 0.00 178.44 180.12 1siq h GLY 302 N 1.21 0.88 0.96 0.83 0.00 -1.08 -2.80 103.07 103.06 1siq h GLY 302 Ca 0.31 -0.95 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1siq h GLY 302 CO -0.05 0.85 0.06 1.41 0.00 0.00 0.00 176.54 178.80 1siq h LEU 303 N 0.64 0.11 -0.89 3.11 3.38 -0.90 -0.30 115.31 120.47 1siq h LEU 303 Ca 0.04 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1siq h LEU 303 Cb 1.03 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1siq h LEU 303 CO 0.10 0.13 -0.37 0.45 0.09 0.00 0.00 178.44 178.84 1siq h HIS 304 N 0.09 0.00 -0.11 1.13 3.86 -1.57 -1.53 115.15 117.01 1siq h HIS 304 Ca 0.03 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.16 1siq h HIS 304 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1siq h HIS 304 CO -0.06 0.37 -0.25 0.00 0.86 0.00 0.00 177.93 178.86 1siq h ALA 305 N 1.63 0.18 -0.98 2.45 0.00 -1.30 -2.67 119.26 118.58 1siq h ALA 305 Ca -0.00 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1siq h ALA 305 Cb 0.92 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 1siq h ALA 305 CO 0.05 0.17 0.64 0.00 0.00 0.00 0.00 179.25 180.10 1siq h LEU 307 N 1.24 0.02 -0.52 0.00 5.85 -1.22 0.66 115.31 121.34 1siq h LEU 307 Ca 0.39 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.17 1siq h LEU 307 Cb -0.00 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1siq h LEU 307 CO -0.12 0.04 0.29 -0.61 -0.34 0.00 0.00 178.44 177.70 1siq h GLN 308 N 0.14 0.56 -0.73 1.25 5.75 -1.06 -0.94 115.11 120.07 1siq h GLN 308 Ca 0.10 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1siq h GLN 308 Cb 0.09 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1siq h GLN 308 CO -0.12 0.37 0.37 1.25 -2.65 0.00 0.00 178.83 178.05 1siq h LEU 309 N 0.57 0.93 -0.94 -2.39 5.85 -0.83 -1.32 115.31 117.18 1siq h LEU 309 Ca 0.22 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1siq h LEU 309 Cb 0.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1siq h LEU 309 CO -0.12 0.78 0.52 1.23 -0.34 0.00 0.00 178.44 180.51 1siq h GLY 310 N 1.01 1.35 0.95 3.75 0.00 -0.16 0.75 103.07 110.72 1siq h GLY 310 Ca 0.25 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.90 1siq h GLY 310 CO -0.04 0.57 -0.15 3.21 0.00 0.00 0.00 176.54 180.14 1siq h ARG 311 N 1.27 0.70 -0.86 4.80 2.47 -0.79 -2.64 114.38 119.34 1siq h ARG 311 Ca 0.32 -0.30 -0.03 0.00 -1.26 0.00 0.00 59.98 58.71 1siq h ARG 311 Cb -0.00 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 1siq h ARG 311 CO -0.06 0.90 0.42 -0.07 0.56 0.00 0.00 179.97 181.72 1siq h LEU 312 N 0.48 1.12 -0.35 3.04 3.38 -0.87 -2.80 115.31 119.30 1siq h LEU 312 Ca 0.08 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1siq h LEU 312 Cb 0.68 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1siq h LEU 312 CO 0.05 0.94 0.14 0.50 0.09 0.00 0.00 178.44 180.15 1siq h LYS 313 N 1.22 0.29 0.00 1.13 3.64 -0.70 -0.18 116.57 121.97 1siq h LYS 313 Ca 0.30 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1siq h LYS 313 Cb 0.11 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1siq h LYS 313 CO -0.04 0.19 0.00 -0.25 -2.27 0.00 0.00 179.45 177.09 1siq n ASP 314 N -4.99 0.46 -1.15 4.20 8.00 -1.01 -0.87 116.55 121.19 1siq n ASP 314 Ca 0.01 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.26 1siq n ASP 314 Cb 0.11 -0.73 0.24 0.00 -0.02 0.00 0.00 41.12 40.72 1siq n ASP 314 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1siq n GLN 315 N -2.05 2.56 -3.63 -1.24 6.02 -0.24 -4.95 117.38 113.85 1siq n GLN 315 Ca 0.01 -2.37 -0.23 0.00 -0.01 0.00 0.00 57.00 54.40 1siq n GLN 315 Cb 0.15 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 29.98 1siq n GLN 315 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1siq n ASP 316 N 1.43 -4.50 -0.10 1.08 9.92 -0.05 -4.89 116.55 119.43 1siq n ASP 316 Ca 0.20 -0.64 0.04 0.00 -0.53 0.00 0.00 54.79 53.86 1siq n ASP 316 Cb 0.58 -4.73 0.05 0.00 -0.64 0.00 0.00 41.12 36.39 1siq n ASP 316 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1siq n LYS 317 N -4.67 1.52 -3.33 -1.24 5.02 -0.26 -5.02 118.16 110.17 1siq n LYS 317 Ca -0.09 -1.73 -0.38 0.00 -2.02 0.00 0.00 58.31 54.09 1siq n LYS 317 Cb 0.59 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 34.48 1siq n LYS 317 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1siq s ALA 318 N -1.47 3.52 0.09 7.82 0.00 -1.24 -4.85 121.76 125.63 1siq s ALA 318 Ca 0.13 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.75 1siq s ALA 318 Cb 0.11 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1siq s ALA 318 CO 0.01 -0.19 0.19 0.00 0.00 0.00 0.00 175.76 175.77 1siq s ALA 319 N 1.07 3.86 0.38 0.00 0.00 -1.26 -5.00 121.76 120.81 1siq s ALA 319 Ca 0.23 -0.95 0.12 0.00 0.00 0.00 0.00 51.96 51.36 1siq s ALA 319 Cb -0.15 -1.69 0.93 0.00 0.00 0.00 0.00 23.12 22.21 1siq s ALA 319 CO 0.09 0.73 1.86 -1.35 0.00 0.00 0.00 175.76 177.09 1siq h PRO 320 N 2.89 0.55 -0.49 0.00 0.11 -2.00 -0.85 132.00 132.22 1siq h PRO 320 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1siq h PRO 320 Cb 1.17 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1siq h PRO 320 CO 0.71 0.37 0.16 0.93 -0.21 0.00 0.00 178.00 179.96 1siq h GLU 321 N 0.57 0.72 -0.43 1.05 3.07 -1.96 -1.61 114.58 116.00 1siq h GLU 321 Ca 0.46 -0.12 0.02 0.00 -0.50 0.00 0.00 59.36 59.22 1siq h GLU 321 Cb 0.90 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 1siq h GLU 321 CO -0.20 0.62 0.25 0.52 -1.40 0.00 0.00 179.01 178.80 1siq h MET 322 N 0.70 0.48 -0.48 2.33 2.86 -1.55 -0.87 114.93 118.40 1siq h MET 322 Ca 0.17 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1siq h MET 322 Cb 0.20 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1siq h MET 322 CO -0.01 0.32 -0.03 0.28 1.06 0.00 0.00 176.91 178.53 1siq h VAL 323 N 0.50 1.25 -0.38 -2.22 2.07 -1.38 -2.65 116.25 113.43 1siq h VAL 323 Ca 0.17 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1siq h VAL 323 Cb 0.02 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1siq h VAL 323 CO -0.09 0.37 0.16 0.28 0.02 0.00 0.00 177.57 178.32 1siq h SER 324 N 0.75 0.52 -0.25 0.57 0.02 -0.81 0.22 113.55 114.58 1siq h SER 324 Ca 0.14 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1siq h SER 324 Cb 0.49 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1siq h SER 324 CO 0.02 0.54 -0.12 0.25 -1.14 0.00 0.00 176.83 176.39 1siq h LEU 325 N 0.48 -0.39 -0.31 5.07 6.46 -0.91 0.14 115.31 125.85 1siq h LEU 325 Ca 0.13 0.10 -0.20 0.00 -0.12 0.00 0.00 57.88 57.79 1siq h LEU 325 Cb 0.17 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1siq h LEU 325 CO -0.01 -0.15 -0.84 -0.07 -0.62 0.00 0.00 178.44 176.75 1siq h LEU 326 N -0.08 0.39 0.09 2.25 3.38 -1.36 -1.73 115.31 118.24 1siq h LEU 326 Ca 0.13 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1siq h LEU 326 Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1siq h LEU 326 CO -0.30 1.07 -0.04 0.50 0.09 0.00 0.00 178.44 179.75 1siq h LYS 327 N 0.18 -0.11 -0.12 1.13 3.11 -0.71 0.34 116.57 120.40 1siq h LYS 327 Ca -0.05 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1siq h LYS 327 Cb 1.45 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.70 1siq h LYS 327 CO 0.14 0.10 0.07 -0.09 -2.81 0.00 0.00 179.45 176.86 1siq h ARG 328 N -0.32 0.16 0.78 1.90 2.43 -1.03 -1.76 114.38 116.54 1siq h ARG 328 Ca -0.01 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1siq h ARG 328 Cb 0.27 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1siq h ARG 328 CO 0.02 0.12 -0.38 -0.97 -1.51 0.00 0.00 179.97 177.26 1siq h ASN 329 N 0.14 -0.89 -0.74 -3.80 -1.24 -1.24 -2.25 115.58 105.57 1siq h ASN 329 Ca 0.04 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 1siq h ASN 329 Cb 0.00 0.23 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 1siq h ASN 329 CO -0.01 -0.62 0.40 0.78 -1.29 0.00 0.00 177.43 176.69 1siq h ASN 330 N -1.07 0.94 -0.36 1.15 -0.26 -0.96 -0.78 115.58 114.24 1siq h ASN 330 Ca -0.11 -0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.43 1siq h ASN 330 Cb 0.81 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.82 1siq h ASN 330 CO 0.18 0.77 -0.22 0.00 -1.06 0.00 0.00 177.43 177.09 1siq h GLY 332 N 0.57 0.27 1.09 0.00 0.00 -1.16 -2.03 103.07 101.80 1siq h GLY 332 Ca 0.07 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 1siq h GLY 332 CO 0.06 0.15 0.16 0.50 0.00 0.00 0.00 176.54 177.41 1siq h LYS 333 N 0.07 1.12 -0.87 4.80 6.56 -1.15 -2.67 116.57 124.44 1siq h LYS 333 Ca 0.05 -0.27 -0.02 0.00 -1.06 0.00 0.00 60.65 59.34 1siq h LYS 333 Cb 0.23 -0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 31.70 1siq h LYS 333 CO -0.00 0.99 0.45 0.00 -2.06 0.00 0.00 179.45 178.83 1siq h ALA 334 N 1.10 1.16 -0.35 3.86 0.00 -0.74 -1.52 119.26 122.77 1siq h ALA 334 Ca 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1siq h ALA 334 Cb 0.38 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1siq h ALA 334 CO 0.00 0.66 0.18 1.25 0.00 0.00 0.00 179.25 181.34 1siq h LEU 335 N 1.22 0.44 -0.89 0.00 6.46 -1.15 -1.48 115.31 119.92 1siq h LEU 335 Ca 0.30 -0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1siq h LEU 335 Cb 0.07 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.84 1siq h LEU 335 CO -0.04 0.42 0.43 0.44 -0.62 0.00 0.00 178.44 179.07 1siq h ASP 336 N 0.43 1.11 -0.21 1.25 3.45 -1.14 -2.08 116.42 119.24 1siq h ASP 336 Ca 0.12 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 1siq h ASP 336 Cb 0.09 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 1siq h ASP 336 CO -0.02 0.92 0.08 0.40 -1.57 0.00 0.00 179.24 179.06 1siq h ILE 337 N 1.22 1.16 -0.58 0.35 2.04 -0.99 -0.84 117.51 119.86 1siq h ILE 337 Ca 0.30 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.64 1siq h ILE 337 Cb 0.09 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1siq h ILE 337 CO -0.04 0.16 0.21 0.00 0.00 0.00 0.00 178.15 178.48 1siq h ALA 338 N 0.93 1.28 -0.48 1.87 0.00 -1.13 -0.81 119.26 120.92 1siq h ALA 338 Ca 0.07 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1siq h ALA 338 Cb 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1siq h ALA 338 CO -0.01 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 1siq h ARG 339 N 0.84 0.87 -0.27 0.00 3.08 -1.14 -1.43 114.38 116.33 1siq h ARG 339 Ca 0.20 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1siq h ARG 339 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1siq h ARG 339 CO -0.02 0.93 0.09 1.96 -1.07 0.00 0.00 179.97 181.86 1siq h GLN 340 N 0.72 0.42 -0.66 0.04 1.08 -0.80 -1.96 115.11 113.95 1siq h GLN 340 Ca 0.13 -0.09 0.07 0.00 -1.45 0.00 0.00 58.65 57.31 1siq h GLN 340 Cb 0.56 -0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.87 1siq h GLN 340 CO 0.03 0.49 0.34 0.00 -0.95 0.00 0.00 178.83 178.74 1siq h ALA 341 N 0.92 0.88 -0.68 3.87 0.00 -1.05 -0.13 119.26 123.06 1siq h ALA 341 Ca 0.09 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1siq h ALA 341 Cb 0.24 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1siq h ALA 341 CO -0.00 -0.01 0.45 -0.09 0.00 0.00 0.00 179.25 179.60 1siq h ARG 342 N 0.62 0.88 -0.44 0.00 1.12 -1.02 -1.60 114.38 113.95 1siq h ARG 342 Ca 0.30 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 59.06 1siq h ARG 342 Cb 0.24 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 29.98 1siq h ARG 342 CO -0.21 0.58 0.04 0.22 -3.11 0.00 0.00 179.97 177.49 1siq h ASP 343 N 0.91 0.65 0.57 -3.80 1.82 -0.52 -2.85 116.42 113.21 1siq h ASP 343 Ca 0.25 -0.13 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 1siq h ASP 343 Cb -0.09 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 39.75 1siq h ASP 343 CO -0.06 0.70 -0.23 0.24 -1.61 0.00 0.00 179.24 178.27 1siq h MET 344 N 0.66 0.00 -0.03 0.28 2.86 -0.11 -2.60 114.93 115.99 1siq h MET 344 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1siq h MET 344 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1siq h MET 344 CO 0.01 0.23 0.00 1.28 1.06 0.00 0.00 176.91 179.49 1siq n LEU 345 N -3.65 1.49 0.00 1.22 4.77 -0.86 -4.94 117.00 115.02 1siq n LEU 345 Ca -0.01 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 1siq n LEU 345 Cb 0.36 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1siq n LEU 345 CO 0.34 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1siq n GLY 346 N 1.17 2.27 0.28 -0.72 0.00 -0.98 -2.88 105.19 104.32 1siq n GLY 346 Ca 0.19 -0.42 0.06 0.00 0.00 0.00 0.00 46.02 45.84 1siq n GLY 346 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1siq h GLY 347 N 0.00 1.14 1.52 -0.02 0.00 -1.90 0.10 103.07 103.91 1siq h GLY 347 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.26 1siq h GLY 347 CO 0.00 -0.13 0.18 3.43 0.00 0.00 0.00 176.54 180.03 1siq h ASN 348 N 0.40 0.00 0.22 0.19 2.35 -1.91 -2.21 115.58 114.62 1siq h ASN 348 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 1siq h ASN 348 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 1siq h ASN 348 CO -0.43 0.00 0.00 1.23 -1.65 0.00 0.00 177.43 176.58 1siq h GLY 349 N 0.00 0.00 -0.51 2.83 0.00 -0.72 -1.55 103.07 103.12 1siq h GLY 349 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1siq h GLY 349 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 1siq n ILE 350 N -3.02 0.01 -3.41 2.60 -5.35 -0.83 -3.80 119.36 105.57 1siq n ILE 350 Ca -0.02 -0.26 -0.38 0.00 -0.27 0.00 0.00 62.75 61.82 1siq n ILE 350 Cb 0.12 0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.46 1siq n ILE 350 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1siq s SER 351 N -1.97 6.72 0.05 7.28 0.15 -0.59 -4.95 113.70 120.39 1siq s SER 351 Ca 0.38 0.85 0.17 0.00 0.70 0.00 0.00 55.95 58.05 1siq s SER 351 Cb 0.21 -2.26 0.73 0.00 -1.71 0.00 0.00 66.02 62.99 1siq s SER 351 CO 0.33 0.14 1.55 -0.90 1.20 0.00 0.00 173.24 175.56 1siq n ASP 352 N 2.91 0.14 0.27 5.45 5.75 -1.26 -1.90 116.55 127.90 1siq n ASP 352 Ca -0.10 0.53 0.14 0.00 -0.01 0.00 0.00 54.79 55.35 1siq n ASP 352 Cb 0.52 -0.56 0.74 0.00 -1.03 0.00 0.00 41.12 40.78 1siq n ASP 352 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1siq h GLU 353 N 0.00 0.00 -0.25 0.11 4.57 -1.92 -1.15 114.58 115.94 1siq h GLU 353 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1siq h GLU 353 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1siq h GLU 353 CO 0.00 0.11 0.00 0.66 -1.18 0.00 0.00 179.01 178.60 1siq n TYR 354 N -3.48 0.31 0.00 0.92 4.01 -0.80 -4.99 117.16 113.13 1siq n TYR 354 Ca -0.01 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1siq n TYR 354 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1siq n TYR 354 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1siq n HIS 355 N 1.31 0.00 -0.36 -0.72 8.25 -0.44 -4.68 115.22 118.58 1siq n HIS 355 Ca 0.18 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.70 1siq n HIS 355 Cb 0.57 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.91 1siq n HIS 355 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1siq h VAL 356 N 0.00 0.95 -0.32 1.59 2.07 -1.86 -1.02 116.25 117.65 1siq h VAL 356 Ca 0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1siq h VAL 356 Cb 0.00 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.60 1siq h VAL 356 CO 0.00 0.18 0.14 -0.29 0.02 0.00 0.00 177.57 177.62 1siq h ILE 357 N 1.01 1.12 -0.31 4.57 6.09 -1.82 -1.20 117.51 126.97 1siq h ILE 357 Ca 0.48 -0.36 -0.04 0.00 -1.37 0.00 0.00 64.86 63.56 1siq h ILE 357 Cb 0.43 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.44 1siq h ILE 357 CO -0.25 0.14 0.02 -0.09 -3.07 0.00 0.00 178.15 174.91 1siq h ARG 358 N 0.44 0.54 -0.58 2.19 2.43 -1.54 -1.95 114.38 115.91 1siq h ARG 358 Ca 0.11 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.05 1siq h ARG 358 Cb 0.07 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1siq h ARG 358 CO -0.01 0.65 0.09 0.45 -1.51 0.00 0.00 179.97 179.64 1siq h HIS 359 N 0.35 1.04 -0.74 2.20 3.86 -1.12 -0.23 115.15 120.50 1siq h HIS 359 Ca 0.09 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1siq h HIS 359 Cb 0.40 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 28.55 1siq h HIS 359 CO 0.03 0.90 0.43 0.00 0.86 0.00 0.00 177.93 180.16 1siq h ALA 360 N 1.01 0.94 -0.09 2.45 0.00 -1.17 -0.18 119.26 122.23 1siq h ALA 360 Ca 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1siq h ALA 360 Cb 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1siq h ALA 360 CO 0.01 0.43 -0.01 0.52 0.00 0.00 0.00 179.25 180.20 1siq h MET 361 N 1.01 0.16 -0.47 0.00 2.07 -1.16 -3.20 114.93 113.34 1siq h MET 361 Ca 0.26 -0.06 0.04 0.00 -2.07 0.00 0.00 59.70 57.88 1siq h MET 361 Cb -0.01 -0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 29.66 1siq h MET 361 CO -0.05 0.45 0.22 -0.91 1.07 0.00 0.00 176.91 177.70 1siq h ASN 362 N -0.15 0.31 0.26 1.22 -0.26 -0.81 -1.98 115.58 114.17 1siq h ASN 362 Ca 0.02 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1siq h ASN 362 Cb 0.39 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.63 1siq h ASN 362 CO 0.01 0.22 0.00 0.18 -1.06 0.00 0.00 177.43 176.77 1siq n LEU 363 N -4.92 0.19 0.13 1.61 4.77 -0.10 -1.92 117.00 116.75 1siq n LEU 363 Ca 0.04 0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1siq n LEU 363 Cb 0.14 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.58 1siq n LEU 363 CO 0.28 -0.51 0.60 -0.08 -1.33 0.00 0.00 177.39 176.36 1siq h GLU 364 N 0.00 -0.31 -0.69 3.23 4.57 -1.35 -2.17 114.58 117.86 1siq h GLU 364 Ca 0.00 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1siq h GLU 364 Cb 0.13 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1siq h GLU 364 CO 0.00 -0.00 0.26 0.00 -1.18 0.00 0.00 179.01 178.09 1siq h ALA 365 N 0.02 0.90 -0.40 2.92 0.00 -1.49 -2.85 119.26 118.37 1siq h ALA 365 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1siq h ALA 365 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1siq h ALA 365 CO 0.05 0.54 0.19 0.28 0.00 0.00 0.00 179.25 180.31 1siq h VAL 366 N 0.99 1.14 0.00 0.00 2.07 -1.47 -0.54 116.25 118.43 1siq h VAL 366 Ca 0.23 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1siq h VAL 366 Cb 0.24 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1siq h VAL 366 CO -0.02 0.16 0.00 -3.20 0.02 0.00 0.00 177.57 174.53 1siq n ASN 367 N -4.41 0.34 -0.13 0.57 5.15 -0.82 -3.88 115.26 112.09 1siq n ASN 367 Ca 0.03 0.55 -0.26 0.00 -0.60 0.00 0.00 54.58 54.30 1siq n ASN 367 Cb 0.12 -0.63 -0.09 0.00 -0.53 0.00 0.00 39.78 38.64 1siq n ASN 367 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1siq n THR 368 N -1.84 1.53 -1.44 -0.44 -1.04 -0.48 -3.15 114.28 107.42 1siq n THR 368 Ca 0.05 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 1siq n THR 368 Cb 0.31 -1.96 0.12 0.00 -1.82 0.00 0.00 70.33 66.98 1siq n THR 368 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1siq s TYR 369 N -2.53 2.54 -1.46 -1.42 -0.00 -0.33 -2.68 117.35 111.47 1siq s TYR 369 Ca -0.36 1.05 -0.11 0.00 -0.00 0.00 0.00 57.07 57.66 1siq s TYR 369 Cb 0.12 -3.23 0.05 0.00 -0.00 0.00 0.00 41.96 38.90 1siq s TYR 369 CO 0.49 -2.22 0.94 0.39 -0.00 0.00 0.00 175.55 175.16 1siq n GLU 370 N -3.72 -5.96 -0.21 -3.49 -0.58 -1.26 -4.55 120.64 100.86 1siq n GLU 370 Ca 0.07 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 1siq n GLU 370 Cb 0.57 -5.62 0.00 0.00 -0.57 0.00 0.00 31.44 25.82 1siq n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1siq n GLY 371 N -1.71 -0.52 3.68 0.62 0.00 -1.24 -4.97 105.19 101.04 1siq n GLY 371 Ca 0.01 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1siq n GLY 371 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1siq s THR 372 N 0.00 2.52 0.23 2.61 -4.23 -1.09 -4.66 115.64 111.02 1siq s THR 372 Ca 0.00 0.17 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 1siq s THR 372 Cb 0.00 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.50 1siq s THR 372 CO 0.00 -0.22 1.86 -0.74 -0.54 0.00 0.00 174.62 174.98 1siq h HIS 373 N -1.72 0.97 -0.04 3.99 2.76 -1.84 -1.99 115.15 117.28 1siq h HIS 373 Ca -0.50 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 57.51 1siq h HIS 373 Cb 1.29 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 1siq h HIS 373 CO 0.42 0.54 -0.77 -0.44 -1.30 0.00 0.00 177.93 176.38 1siq h ASP 374 N 0.99 0.34 -0.42 3.26 3.32 -1.92 -2.83 116.42 119.16 1siq h ASP 374 Ca 0.34 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1siq h ASP 374 Cb 0.06 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1siq h ASP 374 CO -0.13 0.98 0.16 0.40 -1.72 0.00 0.00 179.24 178.93 1siq h ILE 375 N 0.18 1.20 0.00 0.35 1.08 -1.80 -1.79 117.51 116.73 1siq h ILE 375 Ca -0.03 -0.63 -0.02 0.00 -0.39 0.00 0.00 64.86 63.78 1siq h ILE 375 Cb 1.35 0.82 -0.00 0.00 -3.07 0.00 0.00 36.82 35.92 1siq h ILE 375 CO 0.12 0.23 -0.11 0.45 -0.69 0.00 0.00 178.15 178.15 1siq h HIS 376 N 0.54 0.00 -0.34 1.37 3.86 -1.37 -0.15 115.15 119.05 1siq h HIS 376 Ca 0.14 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1siq h HIS 376 Cb 0.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1siq h HIS 376 CO 0.00 0.11 -0.03 0.00 0.86 0.00 0.00 177.93 178.87 1siq h ALA 377 N 1.89 0.46 -0.45 2.45 0.00 -1.12 -1.79 119.26 120.69 1siq h ALA 377 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1siq h ALA 377 Cb 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1siq h ALA 377 CO 0.01 0.25 0.05 -0.07 0.00 0.00 0.00 179.25 179.50 1siq h LEU 378 N 0.42 0.67 -0.46 0.00 4.07 -0.44 0.39 115.31 119.96 1siq h LEU 378 Ca 0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1siq h LEU 378 Cb 0.50 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 1siq h LEU 378 CO 0.02 0.70 0.25 0.40 -1.08 0.00 0.00 178.44 178.74 1siq h ILE 379 N 0.68 1.17 -0.51 1.22 2.04 -0.83 0.61 117.51 121.88 1siq h ILE 379 Ca 0.14 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 1siq h ILE 379 Cb 0.34 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1siq h ILE 379 CO 0.01 0.18 -0.10 -0.07 0.00 0.00 0.00 178.15 178.16 1siq h LEU 380 N 0.61 0.97 -0.97 1.44 3.38 -0.77 -2.60 115.31 117.36 1siq h LEU 380 Ca 0.16 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1siq h LEU 380 Cb 0.06 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 1siq h LEU 380 CO -0.03 1.10 0.64 1.23 0.09 0.00 0.00 178.44 181.46 1siq h GLY 381 N 0.83 1.41 0.98 0.83 0.00 0.37 0.36 103.07 107.86 1siq h GLY 381 Ca 0.13 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1siq h GLY 381 CO 0.05 0.42 0.05 -0.09 0.00 0.00 0.00 176.54 176.96 1siq h ARG 382 N 1.24 0.81 -0.28 4.80 2.43 -0.77 -0.97 114.38 121.64 1siq h ARG 382 Ca 0.38 -0.23 -0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1siq h ARG 382 Cb -0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1siq h ARG 382 CO -0.12 0.83 -0.18 0.00 -1.51 0.00 0.00 179.97 178.99 1siq h ALA 383 N 0.94 1.18 0.06 2.80 0.00 -1.01 0.63 119.26 123.87 1siq h ALA 383 Ca 0.14 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1siq h ALA 383 Cb 0.44 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.12 1siq h ALA 383 CO 0.02 0.52 -0.70 0.82 0.00 0.00 0.00 179.25 179.90 1siq h ILE 384 N 0.45 1.46 0.00 0.00 2.04 -0.76 -3.37 117.51 117.32 1siq h ILE 384 Ca 0.08 -2.28 -0.12 0.00 1.00 0.00 0.00 64.86 63.54 1siq h ILE 384 Cb 0.57 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 1siq h ILE 384 CO 0.04 0.65 -1.73 0.35 0.00 0.00 0.00 178.15 177.46 1siq n THR 385 N -4.17 0.73 -0.88 -0.27 -2.24 -0.38 -4.96 114.28 102.11 1siq n THR 385 Ca -0.12 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1siq n THR 385 Cb 0.74 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1siq n THR 385 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1siq n GLY 386 N 1.38 0.66 3.27 3.38 0.00 0.22 -5.02 105.19 109.09 1siq n GLY 386 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 1siq n GLY 386 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1siq s ILE 387 N -2.46 2.39 0.17 -0.61 1.01 -1.23 -5.02 121.20 115.46 1siq s ILE 387 Ca 0.00 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.45 1siq s ILE 387 Cb 0.00 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.45 1siq s ILE 387 CO 0.00 0.55 0.95 -1.58 0.00 0.00 0.00 174.94 174.86 1siq s GLN 388 N 0.35 4.77 -0.03 2.79 -0.44 -1.26 -4.03 119.66 121.82 1siq s GLN 388 Ca -0.16 1.47 0.04 0.00 -2.50 0.00 0.00 55.36 54.21 1siq s GLN 388 Cb -0.17 -3.33 0.06 0.00 -1.64 0.00 0.00 33.01 27.92 1siq s GLN 388 CO 0.08 0.36 0.89 0.00 0.50 0.00 0.00 175.29 177.11 1siq n ALA 389 N 2.16 1.77 -0.13 1.58 0.00 -1.26 -4.82 120.51 119.81 1siq n ALA 389 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 53.44 52.16 1siq n ALA 389 Cb 0.48 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.64 1siq n ALA 389 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1siq h PHE 390 N 0.00 0.75 -0.75 0.00 -1.00 -1.92 -3.45 116.94 110.56 1siq h PHE 390 Ca 0.00 -0.14 -0.60 0.00 2.81 0.00 0.00 57.97 60.04 1siq h PHE 390 Cb 1.09 -0.19 -0.07 0.00 3.61 0.00 0.00 35.95 40.38 1siq h PHE 390 CO 0.04 0.79 -0.38 0.95 -1.61 0.00 0.00 178.31 178.09 1siq s THR 391 N -4.93 1.72 0.00 -1.55 -4.23 -1.26 -5.22 115.64 100.16 1siq s THR 391 Ca -0.13 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.76 1siq s THR 391 Cb 0.10 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1siq s THR 391 CO 0.79 0.00 0.40 0.00 -0.54 0.00 0.00 174.62 175.27