#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jiq s ALA 2 N 0.00 4.05 0.24 3.04 0.00 -1.26 -4.93 121.76 122.91 1jiq s ALA 2 Ca 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.53 1jiq s ALA 2 Cb 0.00 -1.94 0.45 0.00 0.00 0.00 0.00 23.12 21.63 1jiq s ALA 2 CO 0.00 -0.48 1.65 0.00 0.00 0.00 0.00 175.76 176.93 1jiq h ALA 3 N 0.36 0.86 -0.28 0.00 0.00 -1.95 -0.59 119.26 117.66 1jiq h ALA 3 Ca -0.43 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1jiq h ALA 3 Cb 1.28 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1jiq h ALA 3 CO 0.52 -0.40 -0.12 1.25 0.00 0.00 0.00 179.25 180.50 1jiq h LEU 4 N 0.16 0.59 -1.16 0.00 5.85 -1.85 -2.57 115.31 116.33 1jiq h LEU 4 Ca 0.41 -0.40 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1jiq h LEU 4 Cb 0.73 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1jiq h LEU 4 CO -0.60 0.86 -0.41 0.71 -0.34 0.00 0.00 178.44 178.66 1jiq h THR 5 N 0.32 1.24 0.00 1.05 1.35 -1.80 -2.07 112.91 112.99 1jiq h THR 5 Ca 0.06 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1jiq h THR 5 Cb 0.63 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1jiq h THR 5 CO 0.04 0.40 0.00 0.54 -0.25 0.00 0.00 175.52 176.25 1jiq n ARG 6 N -3.97 0.29 -2.51 4.72 1.74 -0.28 -4.74 116.66 111.91 1jiq n ARG 6 Ca -0.02 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1jiq n ARG 6 Cb 0.45 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 1jiq n ARG 6 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1jiq s ASP 7 N -2.69 7.11 0.28 0.55 2.15 -0.78 -4.94 116.67 118.35 1jiq s ASP 7 Ca 0.23 1.78 -0.03 0.00 0.43 0.00 0.00 52.55 54.96 1jiq s ASP 7 Cb 0.19 -2.56 0.39 0.00 -0.30 0.00 0.00 42.92 40.64 1jiq s ASP 7 CO 0.45 -0.53 1.91 1.55 -0.17 0.00 0.00 175.17 178.38 1jiq h PRO 8 N 7.27 1.03 -0.15 4.34 0.13 -1.89 -0.38 132.00 142.36 1jiq h PRO 8 Ca -0.35 -0.12 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 1jiq h PRO 8 Cb 1.17 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1jiq h PRO 8 CO 0.86 0.76 -0.39 1.96 -0.23 0.00 0.00 178.00 180.96 1jiq h GLN 9 N 1.04 0.34 -0.34 0.86 1.08 -1.92 -0.51 115.11 115.66 1jiq h GLN 9 Ca 0.26 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 57.20 1jiq h GLN 9 Cb 0.03 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1jiq h GLN 9 CO -0.04 0.68 -0.19 0.35 -0.95 0.00 0.00 178.83 178.68 1jiq h PHE 10 N 0.29 0.85 -0.89 2.96 3.57 -1.69 -1.21 116.94 120.83 1jiq h PHE 10 Ca 0.03 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.30 1jiq h PHE 10 Cb 0.81 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 1jiq h PHE 10 CO 0.02 0.95 0.51 1.96 -2.23 0.00 0.00 178.31 179.51 1jiq h GLN 11 N 0.51 1.22 -0.16 1.11 4.20 -0.70 0.04 115.11 121.33 1jiq h GLN 11 Ca 0.07 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1jiq h GLN 11 Cb 0.74 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1jiq h GLN 11 CO 0.05 0.87 -0.37 1.57 -0.67 0.00 0.00 178.83 180.29 1jiq h LYS 12 N 1.23 0.35 -0.07 1.46 2.10 -0.91 -1.29 116.57 119.44 1jiq h LYS 12 Ca 0.31 -0.16 -0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1jiq h LYS 12 Cb -0.01 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1jiq h LYS 12 CO -0.05 0.68 0.04 1.25 -2.00 0.00 0.00 179.45 179.37 1jiq h LEU 13 N 0.30 0.09 -0.14 7.07 6.46 -0.08 -0.64 115.31 128.37 1jiq h LEU 13 Ca 0.03 -0.06 0.03 0.00 -0.12 0.00 0.00 57.88 57.76 1jiq h LEU 13 Cb 0.80 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 1jiq h LEU 13 CO 0.06 0.13 -0.03 1.56 -0.62 0.00 0.00 178.44 179.54 1jiq h GLN 14 N 0.05 0.01 -0.46 1.25 4.20 -0.79 -0.41 115.11 118.96 1jiq h GLN 14 Ca 0.03 -0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.79 1jiq h GLN 14 Cb 0.05 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 1jiq h GLN 14 CO -0.00 0.00 0.17 0.37 -0.67 0.00 0.00 178.83 178.70 1jiq h GLN 15 N 0.01 0.34 -0.64 1.46 -0.00 -1.10 0.19 115.11 115.37 1jiq h GLN 15 Ca 0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1jiq h GLN 15 Cb 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.47 1jiq h GLN 15 CO -0.14 0.22 0.32 2.35 0.00 0.00 0.00 178.83 181.58 1jiq h TRP 16 N 0.35 0.92 -0.38 3.99 7.01 -0.61 -0.77 115.95 126.46 1jiq h TRP 16 Ca 0.22 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.20 1jiq h TRP 16 Cb 0.21 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 26.95 1jiq h TRP 16 CO -0.15 0.69 0.20 -0.92 -2.79 0.00 0.00 178.44 175.47 1jiq h TYR 17 N 0.89 0.38 -1.00 2.65 5.03 -0.21 0.21 116.97 124.91 1jiq h TYR 17 Ca 0.22 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.57 1jiq h TYR 17 Cb 0.11 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.22 1jiq h TYR 17 CO 0.00 0.21 0.66 0.00 -1.32 0.00 0.00 178.16 177.71 1jiq h ARG 18 N 0.41 1.28 0.00 1.82 3.08 -0.52 -2.78 114.38 117.67 1jiq h ARG 18 Ca 0.16 -0.08 -0.22 0.00 0.07 0.00 0.00 59.98 59.91 1jiq h ARG 18 Cb 0.04 -0.29 -0.04 0.00 0.08 0.00 0.00 29.97 29.77 1jiq h ARG 18 CO -0.09 0.84 -1.43 0.93 -1.07 0.00 0.00 179.97 179.15 1jiq h GLU 19 N 1.31 0.00 0.00 0.04 5.08 -0.36 -3.42 114.58 117.24 1jiq h GLU 19 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1jiq h GLU 19 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1jiq h GLU 19 CO -0.10 0.48 0.00 0.72 -1.00 0.00 0.00 179.01 179.10 1jiq n HIS 20 N -3.04 0.00 0.23 4.33 8.25 0.65 -4.80 115.22 120.84 1jiq n HIS 20 Ca -0.11 -0.14 0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1jiq n HIS 20 Cb 0.94 -0.01 0.63 0.00 1.12 0.00 0.00 29.99 32.67 1jiq n HIS 20 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1jiq h ARG 21 N 0.00 0.00 0.00 -0.41 0.11 -1.64 -0.13 114.38 112.31 1jiq h ARG 21 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 1jiq h ARG 21 Cb 0.39 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.47 1jiq h ARG 21 CO 0.00 0.00 -0.18 0.66 0.10 0.00 0.00 179.97 180.55 1jiq h SER 22 N 0.00 0.00 1.05 0.08 4.64 -1.87 -2.44 113.55 115.00 1jiq h SER 22 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jiq h SER 22 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1jiq h SER 22 CO 0.00 0.18 0.00 -1.84 -0.87 0.00 0.00 176.83 174.30 1jiq n GLU 23 N -3.37 0.07 -1.86 4.77 0.28 -0.06 -4.40 120.64 116.07 1jiq n GLU 23 Ca -0.00 0.09 -0.42 0.00 -0.16 0.00 0.00 57.16 56.68 1jiq n GLU 23 Cb 0.39 -1.59 -0.01 0.00 1.43 0.00 0.00 31.44 31.66 1jiq n GLU 23 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1jiq n LEU 24 N -1.71 5.78 -4.05 -1.84 4.77 -0.92 -4.83 117.00 114.20 1jiq n LEU 24 Ca 0.06 -3.84 -0.32 0.00 -0.03 0.00 0.00 56.01 51.88 1jiq n LEU 24 Cb 0.34 -1.60 -0.15 0.00 -2.33 0.00 0.00 43.42 39.67 1jiq n LEU 24 CO 0.26 0.50 -0.46 0.21 -1.33 0.00 0.00 177.39 176.56 1jiq s ASN 25 N 3.90 4.12 0.20 -1.43 3.84 -1.26 -5.00 114.94 119.31 1jiq s ASN 25 Ca 0.51 -1.23 -0.10 0.00 0.21 0.00 0.00 52.86 52.25 1jiq s ASN 25 Cb 0.11 -1.47 0.27 0.00 -0.55 0.00 0.00 41.25 39.61 1jiq s ASN 25 CO -0.01 -0.17 1.72 -0.07 -2.79 0.00 0.00 177.10 175.79 1jiq h LEU 26 N 7.83 0.09 -0.52 3.21 3.38 -1.88 -0.50 115.31 126.92 1jiq h LEU 26 Ca -0.23 0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.91 1jiq h LEU 26 Cb 1.06 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 1jiq h LEU 26 CO 0.48 0.06 0.17 -0.09 0.09 0.00 0.00 178.44 179.14 1jiq h ARG 27 N 0.31 0.32 -0.38 1.13 2.43 -1.92 -0.98 114.38 115.29 1jiq h ARG 27 Ca 0.30 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1jiq h ARG 27 Cb 0.41 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1jiq h ARG 27 CO -0.35 0.21 0.10 -0.09 -1.51 0.00 0.00 179.97 178.33 1jiq h ARG 28 N 0.33 0.60 -0.24 0.20 2.43 -1.73 -2.01 114.38 113.96 1jiq h ARG 28 Ca 0.26 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1jiq h ARG 28 Cb 0.31 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1jiq h ARG 28 CO -0.28 0.63 0.16 -0.07 -1.51 0.00 0.00 179.97 178.89 1jiq h LEU 29 N 0.46 0.27 -0.82 3.80 3.38 -0.41 -0.42 115.31 121.58 1jiq h LEU 29 Ca 0.12 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1jiq h LEU 29 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1jiq h LEU 29 CO -0.00 0.19 -0.30 -0.26 0.09 0.00 0.00 178.44 178.17 1jiq h PHE 30 N 0.32 0.62 -0.15 1.13 -1.00 -1.20 -1.14 116.94 115.53 1jiq h PHE 30 Ca 0.09 -0.15 -0.07 0.00 2.81 0.00 0.00 57.97 60.65 1jiq h PHE 30 Cb -0.03 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.37 1jiq h PHE 30 CO -0.06 0.78 -0.21 -0.44 -1.61 0.00 0.00 178.31 176.77 1jiq h ASP 31 N 0.47 0.25 0.85 2.17 3.32 -1.02 -3.22 116.42 119.24 1jiq h ASP 31 Ca 0.06 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1jiq h ASP 31 Cb 0.75 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1jiq h ASP 31 CO 0.06 0.48 -1.20 0.00 -1.72 0.00 0.00 179.24 176.86 1jiq n ALA 32 N -2.48 2.25 -3.83 3.45 0.00 -0.20 -4.72 120.51 114.98 1jiq n ALA 32 Ca -0.01 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 1jiq n ALA 32 Cb 0.33 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.61 1jiq n ALA 32 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1jiq s ASN 33 N -5.55 4.10 0.63 0.00 2.47 -0.45 -4.98 114.94 111.17 1jiq s ASN 33 Ca -0.02 -2.43 0.39 0.00 0.42 0.00 0.00 52.86 51.22 1jiq s ASN 33 Cb 0.09 -1.26 2.15 0.00 -1.45 0.00 0.00 41.25 40.78 1jiq s ASN 33 CO 0.80 -0.31 2.30 0.50 -3.72 0.00 0.00 177.10 176.67 1jiq h LYS 34 N 7.11 0.00 -0.61 0.43 3.64 -1.85 -1.35 116.57 123.95 1jiq h LYS 34 Ca -0.06 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.01 1jiq h LYS 34 Cb 0.95 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.59 1jiq h LYS 34 CO 0.54 0.01 0.21 -0.40 -2.27 0.00 0.00 179.45 177.53 1jiq n ASP 35 N -3.31 3.02 -0.35 4.20 3.85 -1.26 -4.60 116.55 118.10 1jiq n ASP 35 Ca -0.03 -3.70 -0.03 0.00 -0.71 0.00 0.00 54.79 50.33 1jiq n ASP 35 Cb 0.10 -0.72 0.10 0.00 -1.35 0.00 0.00 41.12 39.26 1jiq n ASP 35 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1jiq h ARG 36 N 1.05 1.29 -0.42 0.11 2.43 -1.61 -1.07 114.38 116.16 1jiq h ARG 36 Ca 0.38 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1jiq h ARG 36 Cb 2.14 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 31.39 1jiq h ARG 36 CO 0.67 0.89 0.23 0.35 -1.51 0.00 0.00 179.97 180.60 1jiq h PHE 37 N 1.31 0.59 -0.69 2.20 3.57 -1.83 -1.79 116.94 120.29 1jiq h PHE 37 Ca 0.34 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.81 1jiq h PHE 37 Cb -0.07 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 1jiq h PHE 37 CO 0.00 0.45 0.37 -0.91 -2.23 0.00 0.00 178.31 175.99 1jiq h ASN 38 N 0.55 0.86 1.90 0.41 2.35 -1.73 -2.82 115.58 117.10 1jiq h ASN 38 Ca 0.15 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1jiq h ASN 38 Cb 0.06 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.21 1jiq h ASN 38 CO -0.02 0.70 0.00 0.45 -1.65 0.00 0.00 177.43 176.91 1jiq h HIS 39 N 0.97 0.00 -1.12 1.19 3.86 -0.85 -3.36 115.15 115.83 1jiq h HIS 39 Ca 0.24 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.96 1jiq h HIS 39 Cb 0.04 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 28.10 1jiq h HIS 39 CO 0.01 0.00 -0.90 1.19 0.86 0.00 0.00 177.93 179.09 1jiq n PHE 40 N -3.03 2.53 -3.68 2.45 3.01 -0.71 -5.03 117.46 113.01 1jiq n PHE 40 Ca 0.04 -2.75 -0.11 0.00 1.01 0.00 0.00 57.45 55.64 1jiq n PHE 40 Cb 0.51 -0.22 -0.06 0.00 -0.01 0.00 0.00 39.48 39.70 1jiq n PHE 40 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1jiq s SER 41 N -3.48 -0.20 0.03 4.37 1.04 -1.16 -1.18 113.70 113.11 1jiq s SER 41 Ca 0.42 -0.24 0.06 0.00 0.48 0.00 0.00 55.95 56.66 1jiq s SER 41 Cb 0.41 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.94 1jiq s SER 41 CO -0.07 -0.75 -0.17 -0.76 0.98 0.00 0.00 173.24 172.46 1jiq s LEU 42 N -2.47 2.13 -0.14 2.42 1.43 -0.11 -4.98 118.68 116.96 1jiq s LEU 42 Ca -0.00 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1jiq s LEU 42 Cb 0.01 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.42 1jiq s LEU 42 CO -0.08 0.13 -0.18 0.42 0.23 0.00 0.00 176.35 176.88 1jiq s THR 43 N -0.69 1.78 -0.18 5.49 -4.23 -1.26 -0.82 115.64 115.72 1jiq s THR 43 Ca 0.05 -0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1jiq s THR 43 Cb -0.08 -1.61 -0.01 0.00 1.34 0.00 0.00 72.50 72.13 1jiq s THR 43 CO 0.01 0.49 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.75 1jiq s LEU 44 N 1.13 2.91 -0.42 4.79 1.43 0.55 -4.96 118.68 124.11 1jiq s LEU 44 Ca -0.01 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.62 1jiq s LEU 44 Cb -0.14 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1jiq s LEU 44 CO -0.06 0.08 0.31 0.21 0.23 0.00 0.00 176.35 177.12 1jiq s ASN 45 N 0.87 6.12 0.00 2.29 2.47 -1.26 -0.45 114.94 124.97 1jiq s ASN 45 Ca -0.02 -0.95 0.28 0.00 0.42 0.00 0.00 52.86 52.60 1jiq s ASN 45 Cb -0.15 -2.16 1.15 0.00 -1.45 0.00 0.00 41.25 38.64 1jiq s ASN 45 CO 0.01 -0.47 1.80 0.35 -3.72 0.00 0.00 177.10 175.07 1jiq n THR 46 N 5.17 0.00 -0.19 -5.21 -2.24 -0.60 -4.90 114.28 106.31 1jiq n THR 46 Ca -0.11 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1jiq n THR 46 Cb 0.47 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1jiq n THR 46 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jiq n ASN 47 N -0.12 0.00 -1.77 3.42 3.02 -1.26 -4.76 115.26 113.79 1jiq n ASN 47 Ca 0.19 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1jiq n ASN 47 Cb 0.32 -0.23 0.07 0.00 -0.61 0.00 0.00 39.78 39.32 1jiq n ASN 47 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1jiq n HIS 48 N -2.00 0.73 0.00 3.10 8.25 -1.26 -5.08 115.22 118.96 1jiq n HIS 48 Ca 0.00 -1.39 0.00 0.00 -0.26 0.00 0.00 57.72 56.07 1jiq n HIS 48 Cb 0.00 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1jiq n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jiq n GLY 49 N -0.29 3.65 3.85 -1.41 0.00 -1.26 -4.80 105.19 104.94 1jiq n GLY 49 Ca 0.14 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1jiq n GLY 49 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jiq s HIS 50 N -2.28 3.38 -0.16 1.61 0.09 -1.26 -1.55 115.29 115.12 1jiq s HIS 50 Ca 0.00 0.19 0.02 0.00 -0.00 0.00 0.00 55.06 55.27 1jiq s HIS 50 Cb 0.00 -1.71 0.01 0.00 -0.00 0.00 0.00 32.58 30.88 1jiq s HIS 50 CO 0.00 0.57 -0.21 0.42 -0.00 0.00 0.00 174.74 175.52 1jiq s ILE 51 N -1.43 2.10 -0.32 0.60 1.01 0.40 -1.70 121.20 121.87 1jiq s ILE 51 Ca 0.31 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1jiq s ILE 51 Cb -0.13 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.48 1jiq s ILE 51 CO 0.24 0.54 0.18 -0.22 0.00 0.00 0.00 174.94 175.68 1jiq s LEU 52 N 0.99 4.25 -0.62 2.97 2.96 0.13 -0.33 118.68 129.03 1jiq s LEU 52 Ca -0.03 -0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 1jiq s LEU 52 Cb -0.15 -2.05 0.16 0.00 0.50 0.00 0.00 46.19 44.65 1jiq s LEU 52 CO -0.06 -0.21 0.52 -0.69 -1.32 0.00 0.00 176.35 174.60 1jiq s VAL 53 N 1.65 4.78 -0.50 1.68 1.01 -0.00 -1.24 120.40 127.78 1jiq s VAL 53 Ca 0.05 -2.10 -0.18 0.00 0.00 0.00 0.00 61.98 59.75 1jiq s VAL 53 Cb -0.17 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.22 1jiq s VAL 53 CO 0.08 -0.89 0.54 -0.62 0.00 0.00 0.00 175.10 174.21 1jiq s ASP 54 N 2.44 6.20 -0.29 3.32 -1.08 -0.22 -0.93 116.67 126.10 1jiq s ASP 54 Ca 0.10 -1.07 0.11 0.00 -0.52 0.00 0.00 52.55 51.17 1jiq s ASP 54 Cb -0.21 -2.25 0.58 0.00 -1.46 0.00 0.00 42.92 39.58 1jiq s ASP 54 CO -0.03 -0.81 1.58 0.00 0.52 0.00 0.00 175.17 176.44 1jiq n TYR 55 N 5.82 1.57 0.17 -5.34 0.18 -0.32 -1.44 117.16 117.79 1jiq n TYR 55 Ca -0.09 -1.35 0.04 0.00 1.88 0.00 0.00 57.90 58.38 1jiq n TYR 55 Cb 0.45 -0.54 0.19 0.00 -0.38 0.00 0.00 39.34 39.05 1jiq n TYR 55 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1jiq h SER 56 N 1.55 0.00 -0.32 9.48 4.64 -1.65 -3.14 113.55 124.11 1jiq h SER 56 Ca 0.22 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.35 1jiq h SER 56 Cb 1.89 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.88 1jiq h SER 56 CO 0.50 0.43 0.25 0.29 -0.87 0.00 0.00 176.83 177.43 1jiq n LYS 57 N -3.35 1.47 -4.09 4.77 5.02 -1.26 -4.88 118.16 115.84 1jiq n LYS 57 Ca 0.01 -1.01 -0.25 0.00 -2.02 0.00 0.00 58.31 55.04 1jiq n LYS 57 Cb 0.62 -1.40 -0.05 0.00 -0.02 0.00 0.00 35.03 34.18 1jiq n LYS 57 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1jiq s ASN 58 N 0.50 5.52 -1.51 4.39 -0.87 -1.19 -1.65 114.94 120.13 1jiq s ASN 58 Ca 0.20 -0.17 -0.11 0.00 -1.57 0.00 0.00 52.86 51.20 1jiq s ASN 58 Cb 0.16 -1.43 -0.05 0.00 -0.02 0.00 0.00 41.25 39.91 1jiq s ASN 58 CO 0.02 0.03 2.65 0.18 -2.57 0.00 0.00 177.10 177.41 1jiq n LEU 59 N -0.63 7.80 -4.10 0.60 4.77 -1.26 -4.84 117.00 119.34 1jiq n LEU 59 Ca -0.08 -4.16 -0.08 0.00 -0.03 0.00 0.00 56.01 51.66 1jiq n LEU 59 Cb 0.56 -1.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.00 1jiq n LEU 59 CO 0.43 1.61 -0.36 0.68 -1.33 0.00 0.00 177.39 178.43 1jiq s VAL 60 N 2.66 0.25 0.44 4.08 -7.23 -1.26 -5.01 120.40 114.33 1jiq s VAL 60 Ca 0.61 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 1jiq s VAL 60 Cb 0.16 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.50 1jiq s VAL 60 CO -0.06 -0.94 0.11 0.42 -0.31 0.00 0.00 175.10 174.32 1jiq s THR 61 N -3.91 0.65 0.29 5.32 -4.23 -1.26 -5.01 115.64 107.49 1jiq s THR 61 Ca 0.09 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1jiq s THR 61 Cb 0.08 -2.24 0.23 0.00 1.34 0.00 0.00 72.50 71.90 1jiq s THR 61 CO -0.08 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 175.59 1jiq h GLU 62 N 1.64 1.04 -0.52 3.99 5.08 -1.99 -1.92 114.58 121.89 1jiq h GLU 62 Ca -0.36 -0.10 -0.08 0.00 -1.00 0.00 0.00 59.36 57.81 1jiq h GLU 62 Cb 1.29 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1jiq h GLU 62 CO 0.59 0.74 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.90 1jiq h ASP 63 N 1.05 0.91 -0.39 1.42 3.45 -1.99 -1.78 116.42 119.09 1jiq h ASP 63 Ca 0.27 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 1jiq h ASP 63 Cb -0.01 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 38.49 1jiq h ASP 63 CO -0.05 1.00 0.21 0.58 -1.57 0.00 0.00 179.24 179.40 1jiq h VAL 64 N 0.80 1.16 -0.74 -1.35 2.07 -1.84 -0.93 116.25 115.42 1jiq h VAL 64 Ca 0.15 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1jiq h VAL 64 Cb 0.53 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1jiq h VAL 64 CO 0.03 0.17 0.28 0.24 0.02 0.00 0.00 177.57 178.30 1jiq h MET 65 N 0.50 1.11 -0.67 1.57 2.86 -1.18 0.12 114.93 119.24 1jiq h MET 65 Ca 0.14 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1jiq h MET 65 Cb 0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1jiq h MET 65 CO -0.02 0.92 0.39 -0.09 1.06 0.00 0.00 176.91 179.17 1jiq h ARG 66 N 1.06 0.91 -0.81 1.72 2.43 -1.13 -0.36 114.38 118.22 1jiq h ARG 66 Ca 0.24 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1jiq h ARG 66 Cb 0.23 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.56 1jiq h ARG 66 CO -0.02 0.66 0.34 0.52 -1.51 0.00 0.00 179.97 179.96 1jiq h MET 67 N 0.91 1.19 -0.33 0.20 2.86 -0.32 -0.68 114.93 118.76 1jiq h MET 67 Ca 0.24 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1jiq h MET 67 Cb -0.01 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1jiq h MET 67 CO -0.04 0.95 0.11 -0.07 1.06 0.00 0.00 176.91 178.92 1jiq h LEU 68 N 1.16 0.47 -0.80 1.22 3.38 -0.32 -1.27 115.31 119.16 1jiq h LEU 68 Ca 0.27 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1jiq h LEU 68 Cb 0.19 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1jiq h LEU 68 CO -0.03 0.53 0.51 0.58 0.09 0.00 0.00 178.44 180.12 1jiq h VAL 69 N 0.38 1.10 -0.45 1.22 2.07 -0.84 -1.19 116.25 118.53 1jiq h VAL 69 Ca 0.11 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1jiq h VAL 69 Cb 0.22 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 1jiq h VAL 69 CO -0.01 0.18 0.29 0.44 0.02 0.00 0.00 177.57 178.49 1jiq h ASP 70 N 0.97 0.52 -0.44 0.57 3.32 -0.74 -1.58 116.42 119.04 1jiq h ASP 70 Ca 0.33 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.31 1jiq h ASP 70 Cb 0.04 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1jiq h ASP 70 CO -0.13 0.38 0.06 0.25 -1.72 0.00 0.00 179.24 178.08 1jiq h LEU 71 N 0.61 0.71 -1.11 1.55 5.85 -0.06 -1.17 115.31 121.68 1jiq h LEU 71 Ca 0.16 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1jiq h LEU 71 Cb -0.06 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1jiq h LEU 71 CO -0.03 0.80 0.40 0.00 -0.34 0.00 0.00 178.44 179.26 1jiq h ALA 72 N 0.94 1.32 0.03 1.25 0.00 -0.59 -0.05 119.26 122.15 1jiq h ALA 72 Ca 0.13 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jiq h ALA 72 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jiq h ALA 72 CO 0.01 0.55 -0.01 0.87 0.00 0.00 0.00 179.25 180.67 1jiq h LYS 73 N 1.02 -0.04 -0.45 0.00 1.57 -1.10 -1.69 116.57 115.87 1jiq h LYS 73 Ca 0.26 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1jiq h LYS 73 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1jiq h LYS 73 CO -0.04 0.28 0.18 1.03 -0.57 0.00 0.00 179.45 180.33 1jiq h SER 74 N -0.35 0.58 0.06 0.86 0.87 -0.95 -1.01 113.55 113.60 1jiq h SER 74 Ca -0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1jiq h SER 74 Cb 0.33 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1jiq h SER 74 CO 0.01 0.53 -0.00 0.54 -0.53 0.00 0.00 176.83 177.38 1jiq n ARG 75 N -4.36 0.95 -2.76 2.24 5.12 -0.06 -4.92 116.66 112.87 1jiq n ARG 75 Ca 0.03 -0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.85 1jiq n ARG 75 Cb 0.15 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 29.97 1jiq n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jiq n GLY 76 N 1.03 0.27 0.16 -0.13 0.00 -0.39 -4.78 105.19 101.36 1jiq n GLY 76 Ca 0.23 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1jiq n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jiq h VAL 77 N -0.83 0.69 -0.01 1.61 2.07 -1.53 -1.58 116.25 116.66 1jiq h VAL 77 Ca -0.22 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1jiq h VAL 77 Cb 1.15 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1jiq h VAL 77 CO 0.23 0.00 -0.12 -0.33 0.02 0.00 0.00 177.57 177.37 1jiq h GLU 78 N -0.17 -0.20 -0.69 1.57 5.08 -1.91 -0.16 114.58 118.10 1jiq h GLU 78 Ca 0.06 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1jiq h GLU 78 Cb 0.26 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1jiq h GLU 78 CO -0.16 -0.13 0.32 0.00 -1.00 0.00 0.00 179.01 178.04 1jiq h ALA 79 N 0.77 0.95 -0.73 3.43 0.00 -1.94 -0.98 119.26 120.76 1jiq h ALA 79 Ca 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jiq h ALA 79 Cb 0.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1jiq h ALA 79 CO -0.13 -0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.39 1jiq h ALA 80 N 1.44 0.93 -0.38 0.00 0.00 -0.88 -1.52 119.26 118.85 1jiq h ALA 80 Ca 0.35 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1jiq h ALA 80 Cb 0.40 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1jiq h ALA 80 CO -0.29 0.48 0.18 -0.09 0.00 0.00 0.00 179.25 179.53 1jiq h ARG 81 N 1.01 0.35 -0.87 0.00 2.43 -0.06 -1.74 114.38 115.50 1jiq h ARG 81 Ca 0.25 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1jiq h ARG 81 Cb 0.09 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 1jiq h ARG 81 CO -0.03 0.23 0.49 0.93 -1.51 0.00 0.00 179.97 180.08 1jiq h GLU 82 N 0.36 1.20 -0.67 0.20 4.39 -0.90 -0.81 114.58 118.35 1jiq h GLU 82 Ca 0.16 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.77 1jiq h GLU 82 Cb 0.09 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 1jiq h GLU 82 CO -0.13 0.86 0.41 0.00 -1.16 0.00 0.00 179.01 178.99 1jiq h ARG 83 N 1.20 0.77 0.33 2.33 3.08 -0.80 0.17 114.38 121.47 1jiq h ARG 83 Ca 0.31 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 1jiq h ARG 83 Cb -0.00 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1jiq h ARG 83 CO -0.05 0.51 -0.16 1.98 -1.07 0.00 0.00 179.97 181.18 1jiq h MET 84 N 0.79 -0.43 0.00 0.04 4.05 -0.44 -1.01 114.93 117.94 1jiq h MET 84 Ca 0.27 0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.66 1jiq h MET 84 Cb 0.05 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1jiq h MET 84 CO -0.12 -0.25 -0.29 0.74 0.23 0.00 0.00 176.91 177.22 1jiq h PHE 85 N -0.51 0.00 -0.01 1.39 -1.00 -0.88 -2.02 116.94 113.91 1jiq h PHE 85 Ca -0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.73 1jiq h PHE 85 Cb 0.38 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.94 1jiq h PHE 85 CO -0.04 0.29 0.00 0.09 -1.61 0.00 0.00 178.31 177.04 1jiq n ASN 86 N -4.10 0.51 0.00 2.17 5.03 0.56 -4.89 115.26 114.54 1jiq n ASN 86 Ca -0.02 -1.19 0.00 0.00 0.87 0.00 0.00 54.58 54.24 1jiq n ASN 86 Cb 0.35 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1jiq n ASN 86 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jiq n GLY 87 N 1.05 0.44 3.80 7.41 0.00 -0.76 -4.44 105.19 112.70 1jiq n GLY 87 Ca 0.22 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.99 1jiq n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jiq s GLU 88 N -1.71 2.85 -1.41 1.61 2.02 -0.41 -4.62 118.70 117.04 1jiq s GLU 88 Ca 0.00 1.07 -0.10 0.00 0.02 0.00 0.00 54.97 55.96 1jiq s GLU 88 Cb 0.00 -1.98 0.07 0.00 0.10 0.00 0.00 34.13 32.33 1jiq s GLU 88 CO 0.00 -1.17 2.28 1.63 0.02 0.00 0.00 175.26 178.02 1jiq n LYS 89 N -2.98 3.61 0.13 1.61 4.76 -1.26 -4.18 118.16 119.85 1jiq n LYS 89 Ca 0.08 -3.00 0.13 0.00 -2.87 0.00 0.00 58.31 52.65 1jiq n LYS 89 Cb 0.53 -2.95 0.47 0.00 -1.84 0.00 0.00 35.03 31.24 1jiq n LYS 89 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1jiq h ILE 90 N 3.45 0.00 -0.86 -0.18 3.07 -1.86 -3.33 117.51 117.80 1jiq h ILE 90 Ca 0.60 -0.34 -0.65 0.00 1.55 0.00 0.00 64.86 66.02 1jiq h ILE 90 Cb 0.50 1.17 -0.08 0.00 -0.27 0.00 0.00 36.82 38.15 1jiq h ILE 90 CO 1.71 0.00 2.07 0.21 -1.05 0.00 0.00 178.15 181.09 1jiq s ASN 91 N -4.46 6.70 0.26 2.16 3.84 -0.65 -4.83 114.94 117.96 1jiq s ASN 91 Ca 0.06 -2.30 0.10 0.00 0.21 0.00 0.00 52.86 50.93 1jiq s ASN 91 Cb 0.10 -2.58 0.30 0.00 -0.55 0.00 0.00 41.25 38.53 1jiq s ASN 91 CO 0.47 -1.32 1.58 0.10 -2.79 0.00 0.00 177.10 175.14 1jiq h TYR 92 N 7.92 0.00 0.00 0.43 -0.00 -1.82 0.28 116.97 123.77 1jiq h TYR 92 Ca 0.41 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 59.03 1jiq h TYR 92 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.60 1jiq h TYR 92 CO 1.40 0.65 -0.53 1.79 -0.00 0.00 0.00 178.16 181.47 1jiq h THR 93 N 0.00 1.23 0.00 -0.90 1.35 -1.92 -3.07 112.91 109.59 1jiq h THR 93 Ca -0.01 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 1jiq h THR 93 Cb 1.16 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1jiq h THR 93 CO 0.08 0.52 -0.89 -0.62 -0.25 0.00 0.00 175.52 174.37 1jiq n GLU 94 N -3.67 0.90 -2.95 4.72 1.02 -1.13 -5.00 120.64 114.53 1jiq n GLU 94 Ca -0.01 -0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.02 1jiq n GLU 94 Cb 0.59 -1.37 0.05 0.00 -0.02 0.00 0.00 31.44 30.69 1jiq n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jiq n GLY 95 N 1.44 -0.02 3.20 0.62 0.00 0.86 -5.03 105.19 106.26 1jiq n GLY 95 Ca 0.03 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1jiq n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jiq s ARG 96 N -5.08 0.92 0.83 1.61 0.52 -0.51 -4.99 118.95 112.25 1jiq s ARG 96 Ca 0.09 -1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 54.02 1jiq s ARG 96 Cb -0.04 -0.73 0.09 0.00 0.52 0.00 0.00 34.95 34.78 1jiq s ARG 96 CO 0.44 0.13 1.12 0.00 0.02 0.00 0.00 175.30 177.01 1jiq s ALA 97 N -2.16 2.19 -0.35 2.13 0.00 -1.26 -1.63 121.76 120.68 1jiq s ALA 97 Ca 0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 1jiq s ALA 97 Cb -0.05 -3.06 0.12 0.00 0.00 0.00 0.00 23.12 20.13 1jiq s ALA 97 CO 0.02 -1.85 0.16 0.08 0.00 0.00 0.00 175.76 174.17 1jiq s VAL 98 N -3.25 0.72 -0.35 0.00 1.01 -1.26 -4.23 120.40 113.04 1jiq s VAL 98 Ca 0.62 -1.67 0.13 0.00 0.00 0.00 0.00 61.98 61.06 1jiq s VAL 98 Cb -0.14 -1.53 0.45 0.00 0.00 0.00 0.00 36.38 35.16 1jiq s VAL 98 CO 0.53 -0.81 1.05 0.18 0.00 0.00 0.00 175.10 176.06 1jiq n LEU 99 N 4.40 2.91 0.29 3.92 4.77 -0.40 -4.74 117.00 128.15 1jiq n LEU 99 Ca 0.03 -4.22 0.16 0.00 -0.03 0.00 0.00 56.01 51.95 1jiq n LEU 99 Cb 0.39 0.06 0.89 0.00 -2.33 0.00 0.00 43.42 42.44 1jiq n LEU 99 CO 0.14 1.77 1.08 1.12 -1.33 0.00 0.00 177.39 180.17 1jiq h HIS 100 N 2.72 0.00 0.00 -1.77 2.07 -1.87 -1.85 115.15 114.45 1jiq h HIS 100 Ca 0.08 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.56 1jiq h HIS 100 Cb 1.15 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 1jiq h HIS 100 CO 0.64 0.04 -0.17 -0.39 -3.07 0.00 0.00 177.93 174.99 1jiq h VAL 101 N 0.00 0.71 -0.05 6.12 -1.51 -1.94 -2.41 116.25 117.17 1jiq h VAL 101 Ca -0.00 -0.69 -0.14 0.00 -1.23 0.00 0.00 66.70 64.64 1jiq h VAL 101 Cb 0.13 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1jiq h VAL 101 CO 0.01 0.16 -0.61 0.00 -1.23 0.00 0.00 177.57 175.90 1jiq h ALA 102 N 1.83 0.90 -0.58 5.19 0.00 -1.71 -2.69 119.26 122.20 1jiq h ALA 102 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1jiq h ALA 102 Cb 0.41 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jiq h ALA 102 CO 0.02 0.74 0.37 -0.07 0.00 0.00 0.00 179.25 180.31 1jiq h LEU 103 N 0.12 0.68 -3.39 0.00 3.38 -1.46 -2.24 115.31 112.40 1jiq h LEU 103 Ca -0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1jiq h LEU 103 Cb 1.10 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1jiq h LEU 103 CO 0.09 0.51 0.04 -2.11 0.09 0.00 0.00 178.44 177.05 1jiq n ARG 104 N -4.43 3.23 -1.78 1.13 0.00 -1.19 -4.90 116.66 108.71 1jiq n ARG 104 Ca 0.06 -2.98 -0.39 0.00 -0.00 0.00 0.00 57.85 54.54 1jiq n ARG 104 Cb 0.06 -1.97 -0.04 0.00 -0.00 0.00 0.00 32.46 30.51 1jiq n ARG 104 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1jiq n ASN 105 N -0.36 3.35 0.18 2.89 5.15 -0.85 -4.41 115.26 121.22 1jiq n ASN 105 Ca 0.27 -2.76 0.15 0.00 -0.60 0.00 0.00 54.58 51.64 1jiq n ASN 105 Cb 1.04 -1.51 0.76 0.00 -0.53 0.00 0.00 39.78 39.54 1jiq n ASN 105 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1jiq h ARG 106 N 8.03 0.00 0.00 1.20 2.47 -1.89 -1.41 114.38 122.77 1jiq h ARG 106 Ca 0.39 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 59.06 1jiq h ARG 106 Cb 0.78 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 1jiq h ARG 106 CO 1.64 0.00 -0.24 0.66 0.56 0.00 0.00 179.97 182.59 1jiq h SER 107 N 0.00 0.00 -0.09 7.04 4.64 -2.00 -3.47 113.55 119.67 1jiq h SER 107 Ca 0.09 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 1jiq h SER 107 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1jiq h SER 107 CO -0.00 0.24 -0.04 0.59 -0.87 0.00 0.00 176.83 176.75 1jiq n ASN 108 N -3.66 -4.80 -4.65 4.97 3.02 -0.53 -4.97 115.26 104.64 1jiq n ASN 108 Ca -0.01 0.05 -0.46 0.00 -0.03 0.00 0.00 54.58 54.13 1jiq n ASN 108 Cb 0.37 -2.47 -0.04 0.00 -0.61 0.00 0.00 39.78 37.03 1jiq n ASN 108 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1jiq n THR 109 N -2.42 0.46 -1.71 3.41 -1.04 -1.26 -4.87 114.28 106.85 1jiq n THR 109 Ca -0.02 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 1jiq n THR 109 Cb 0.32 -1.38 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1jiq n THR 109 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1jiq n PRO 110 N 2.62 2.14 -3.82 -2.82 -0.02 -1.26 -4.94 135.00 126.90 1jiq n PRO 110 Ca 0.15 0.76 -0.26 0.00 -2.02 0.00 0.00 63.50 62.12 1jiq n PRO 110 Cb 0.29 -2.41 -0.17 0.00 -0.02 0.00 0.00 33.50 31.18 1jiq n PRO 110 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1jiq s ILE 111 N -1.14 0.71 -0.07 4.25 1.01 -1.26 -5.04 121.20 119.66 1jiq s ILE 111 Ca 0.57 -0.25 -0.03 0.00 0.00 0.00 0.00 60.65 60.94 1jiq s ILE 111 Cb -0.53 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1jiq s ILE 111 CO 0.61 0.18 0.06 -0.76 0.00 0.00 0.00 174.94 175.03 1jiq s LEU 112 N 1.82 3.90 -0.10 2.97 1.43 -1.26 -0.75 118.68 126.69 1jiq s LEU 112 Ca 0.03 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 1jiq s LEU 112 Cb -0.14 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1jiq s LEU 112 CO -0.07 0.35 -0.11 0.54 0.23 0.00 0.00 176.35 177.29 1jiq s VAL 113 N -1.02 1.23 -1.44 -1.59 0.11 -0.66 -4.21 120.40 112.81 1jiq s VAL 113 Ca 0.17 -0.46 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1jiq s VAL 113 Cb -0.12 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1jiq s VAL 113 CO 0.06 0.39 0.85 0.47 -3.33 0.00 0.00 175.10 173.54 1jiq n ASP 114 N 4.47 -6.18 0.00 3.54 10.43 -1.26 -2.12 116.55 125.43 1jiq n ASP 114 Ca -0.17 -0.39 0.00 0.00 2.57 0.00 0.00 54.79 56.80 1jiq n ASP 114 Cb 0.51 -4.91 0.00 0.00 1.84 0.00 0.00 41.12 38.56 1jiq n ASP 114 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jiq n GLY 115 N -1.72 1.08 3.44 0.44 0.00 -1.26 -5.01 105.19 102.16 1jiq n GLY 115 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1jiq n GLY 115 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jiq s LYS 116 N -0.08 3.50 0.04 1.61 2.20 -0.90 -4.98 119.74 121.13 1jiq s LYS 116 Ca 0.00 -0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 54.71 1jiq s LYS 116 Cb 0.00 -2.76 -0.08 0.00 -1.51 0.00 0.00 37.83 33.48 1jiq s LYS 116 CO 0.00 0.25 1.67 0.34 -0.36 0.00 0.00 175.35 177.25 1jiq s ASP 117 N 0.30 6.61 0.08 1.43 2.15 -1.26 -1.66 116.67 124.32 1jiq s ASP 117 Ca -0.07 2.44 0.28 0.00 0.43 0.00 0.00 52.55 55.63 1jiq s ASP 117 Cb -0.15 -2.56 1.04 0.00 -0.30 0.00 0.00 42.92 40.96 1jiq s ASP 117 CO 0.04 -0.90 1.85 1.33 -0.17 0.00 0.00 175.17 177.32 1jiq n VAL 118 N 4.91 0.23 -0.18 1.11 0.24 0.07 -4.36 118.33 120.35 1jiq n VAL 118 Ca 0.16 -0.11 -0.08 0.00 -2.04 0.00 0.00 64.34 62.27 1jiq n VAL 118 Cb 0.41 -0.50 0.01 0.00 -1.47 0.00 0.00 33.84 32.29 1jiq n VAL 118 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1jiq h MET 119 N 0.00 0.77 -0.98 7.34 2.86 -1.91 -2.36 114.93 120.65 1jiq h MET 119 Ca 0.00 -0.14 0.14 0.00 -2.06 0.00 0.00 59.70 57.64 1jiq h MET 119 Cb 0.59 -0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.04 1jiq h MET 119 CO 0.00 0.68 0.60 -1.35 1.06 0.00 0.00 176.91 177.91 1jiq h PRO 120 N 0.69 0.87 -0.19 -0.22 0.11 -1.98 0.10 132.00 131.39 1jiq h PRO 120 Ca 0.17 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.02 1jiq h PRO 120 Cb 0.20 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1jiq h PRO 120 CO -0.01 0.57 -0.70 0.93 -0.21 0.00 0.00 178.00 178.58 1jiq h GLU 121 N 0.89 0.77 -0.15 1.05 4.39 -1.78 0.71 114.58 120.47 1jiq h GLU 121 Ca 0.51 -0.58 0.04 0.00 0.34 0.00 0.00 59.36 59.67 1jiq h GLU 121 Cb 0.61 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.32 1jiq h GLU 121 CO -0.31 1.20 -0.12 0.28 -1.16 0.00 0.00 179.01 178.90 1jiq h VAL 122 N 0.55 0.65 -0.26 3.13 2.07 -0.88 -2.20 116.25 119.30 1jiq h VAL 122 Ca -0.03 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1jiq h VAL 122 Cb 1.32 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1jiq h VAL 122 CO 0.14 0.00 -0.22 0.78 0.02 0.00 0.00 177.57 178.29 1jiq h ASN 123 N -0.14 0.48 -0.31 0.57 -0.26 -0.69 -1.39 115.58 113.84 1jiq h ASN 123 Ca 0.09 -0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1jiq h ASN 123 Cb 0.28 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1jiq h ASN 123 CO -0.23 0.71 0.18 0.50 -1.06 0.00 0.00 177.43 177.53 1jiq h LYS 124 N 0.43 0.42 -0.49 0.81 3.64 -0.63 0.66 116.57 121.41 1jiq h LYS 124 Ca 0.07 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1jiq h LYS 124 Cb 0.63 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1jiq h LYS 124 CO 0.04 0.33 0.12 0.28 -2.27 0.00 0.00 179.45 177.96 1jiq h VAL 125 N 0.39 1.24 -0.83 2.00 2.07 -1.22 -0.35 116.25 119.55 1jiq h VAL 125 Ca 0.11 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1jiq h VAL 125 Cb 0.02 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1jiq h VAL 125 CO -0.02 0.30 0.52 -0.07 0.02 0.00 0.00 177.57 178.32 1jiq h LEU 126 N 0.68 0.82 -0.57 2.57 3.38 -1.00 0.27 115.31 121.47 1jiq h LEU 126 Ca 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1jiq h LEU 126 Cb 0.33 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1jiq h LEU 126 CO 0.00 0.53 0.28 0.44 0.09 0.00 0.00 178.44 179.79 1jiq h ASP 127 N 0.96 0.73 -0.79 -0.43 3.32 -0.46 0.64 116.42 120.39 1jiq h ASP 127 Ca 0.36 -0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1jiq h ASP 127 Cb 0.14 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1jiq h ASP 127 CO -0.16 0.64 0.37 0.50 -1.72 0.00 0.00 179.24 178.87 1jiq h LYS 128 N 0.77 1.15 -0.39 3.56 3.64 -0.04 -0.98 116.57 124.27 1jiq h LYS 128 Ca 0.20 -0.18 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1jiq h LYS 128 Cb 0.10 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1jiq h LYS 128 CO -0.03 0.90 0.13 0.52 -2.27 0.00 0.00 179.45 178.70 1jiq h MET 129 N 1.14 0.59 -0.45 1.90 2.86 -0.02 -1.54 114.93 119.41 1jiq h MET 129 Ca 0.27 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1jiq h MET 129 Cb 0.14 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1jiq h MET 129 CO -0.03 0.59 0.29 -0.22 1.06 0.00 0.00 176.91 178.60 1jiq h LYS 130 N 0.48 0.60 0.09 1.72 3.64 -0.39 -0.51 116.57 122.19 1jiq h LYS 130 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1jiq h LYS 130 Cb 0.24 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1jiq h LYS 130 CO -0.01 0.40 -0.09 1.03 -2.27 0.00 0.00 179.45 178.51 1jiq h SER 131 N 0.61 -0.25 -0.45 4.20 0.87 -1.05 -0.32 113.55 117.17 1jiq h SER 131 Ca 0.16 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.80 1jiq h SER 131 Cb -0.06 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1jiq h SER 131 CO -0.03 -0.15 0.18 0.15 -0.53 0.00 0.00 176.83 176.45 1jiq h PHE 132 N -0.21 0.33 -0.67 2.24 3.57 -1.06 -0.49 116.94 120.66 1jiq h PHE 132 Ca 0.01 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1jiq h PHE 132 Cb 0.20 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1jiq h PHE 132 CO -0.11 0.14 0.36 0.00 -2.23 0.00 0.00 178.31 176.46 1jiq h GLN 134 N 0.92 -0.31 -0.71 0.00 -0.00 -0.46 -0.62 115.11 113.93 1jiq h GLN 134 Ca 0.23 0.02 0.02 0.00 -0.00 0.00 0.00 58.65 58.93 1jiq h GLN 134 Cb 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.57 1jiq h GLN 134 CO -0.04 -0.21 0.46 0.00 0.00 0.00 0.00 178.83 179.04 1jiq h ARG 135 N -0.32 0.87 -0.04 1.69 3.08 -0.58 -1.67 114.38 117.42 1jiq h ARG 135 Ca 0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1jiq h ARG 135 Cb 0.34 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1jiq h ARG 135 CO -0.10 0.58 -0.23 0.28 -1.07 0.00 0.00 179.97 179.43 1jiq h VAL 136 N 0.90 1.48 -0.55 2.04 2.07 -1.03 -0.82 116.25 120.34 1jiq h VAL 136 Ca 0.28 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.02 1jiq h VAL 136 Cb -0.01 2.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1jiq h VAL 136 CO -0.10 0.48 0.15 0.03 0.02 0.00 0.00 177.57 178.15 1jiq h ARG 137 N -0.36 0.84 0.00 1.57 3.08 -1.06 -2.85 114.38 115.60 1jiq h ARG 137 Ca -0.02 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1jiq h ARG 137 Cb 0.91 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1jiq h ARG 137 CO 0.05 0.75 0.00 -1.13 -1.07 0.00 0.00 179.97 178.56 1jiq n SER 138 N -4.28 0.79 0.00 7.04 3.41 -0.63 -4.92 113.62 115.03 1jiq n SER 138 Ca 0.04 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1jiq n SER 138 Cb 0.22 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1jiq n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jiq n GLY 139 N 0.95 0.70 0.15 5.00 0.00 -1.08 -4.95 105.19 105.97 1jiq n GLY 139 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1jiq n GLY 139 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1jiq h ASP 140 N 0.00 0.40 -2.80 1.61 -0.00 -1.59 -3.41 116.42 110.62 1jiq h ASP 140 Ca 0.00 -0.11 -0.55 0.00 -0.00 0.00 0.00 57.03 56.37 1jiq h ASP 140 Cb 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.21 1jiq h ASP 140 CO 0.00 0.40 0.94 0.86 -0.00 0.00 0.00 179.24 181.44 1jiq s TRP 141 N -5.76 2.54 0.09 0.28 -0.11 -0.40 -5.01 118.94 110.57 1jiq s TRP 141 Ca -0.13 0.65 0.07 0.00 1.22 0.00 0.00 56.10 57.90 1jiq s TRP 141 Cb 0.09 -3.71 -0.04 0.00 -1.50 0.00 0.00 33.47 28.31 1jiq s TRP 141 CO 0.72 -2.75 -0.10 0.15 -4.62 0.00 0.00 176.95 170.36 1jiq s LYS 142 N 3.27 2.18 1.09 5.86 -0.14 -1.26 -4.17 119.74 126.56 1jiq s LYS 142 Ca 0.65 -0.99 -0.18 0.00 -1.36 0.00 0.00 55.97 54.09 1jiq s LYS 142 Cb -0.29 -2.33 0.26 0.00 -1.68 0.00 0.00 37.83 33.79 1jiq s LYS 142 CO 0.24 0.52 1.12 0.41 -0.76 0.00 0.00 175.35 176.88 1jiq n GLY 143 N 0.81 -2.31 0.11 -3.33 0.00 0.72 -4.86 105.19 96.32 1jiq n GLY 143 Ca -0.14 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.41 1jiq n GLY 143 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1jiq n TYR 144 N -4.40 0.57 -0.16 1.61 0.18 -1.26 -1.62 117.16 112.08 1jiq n TYR 144 Ca 0.15 0.26 0.04 0.00 1.88 0.00 0.00 57.90 60.23 1jiq n TYR 144 Cb 0.56 -0.91 0.11 0.00 -0.38 0.00 0.00 39.34 38.71 1jiq n TYR 144 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1jiq n THR 145 N -2.05 1.05 -0.38 -3.48 -2.24 -1.26 -4.98 114.28 100.93 1jiq n THR 145 Ca 0.01 -1.04 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1jiq n THR 145 Cb 0.12 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1jiq n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jiq n GLY 146 N 0.16 0.75 3.89 3.38 0.00 -0.64 -5.08 105.19 107.65 1jiq n GLY 146 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1jiq n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jiq s LYS 147 N -0.62 3.72 0.67 1.61 -0.14 -1.26 -4.74 119.74 118.98 1jiq s LYS 147 Ca 0.00 0.25 -0.10 0.00 -1.36 0.00 0.00 55.97 54.75 1jiq s LYS 147 Cb 0.00 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 1jiq s LYS 147 CO 0.00 0.10 1.05 0.95 -0.76 0.00 0.00 175.35 176.69 1jiq s THR 148 N -2.20 3.79 -0.17 2.17 -4.23 -1.26 -0.20 115.64 113.54 1jiq s THR 148 Ca 0.48 0.48 -0.14 0.00 -1.18 0.00 0.00 61.69 61.32 1jiq s THR 148 Cb -0.11 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 1jiq s THR 148 CO 0.30 -0.71 0.32 -0.63 -0.54 0.00 0.00 174.62 173.35 1jiq s ILE 149 N -3.25 5.29 -0.21 2.99 -1.09 -1.26 -4.64 121.20 119.02 1jiq s ILE 149 Ca 0.57 0.59 0.09 0.00 -2.23 0.00 0.00 60.65 59.66 1jiq s ILE 149 Cb -0.11 -3.65 -0.12 0.00 -1.58 0.00 0.00 42.46 37.00 1jiq s ILE 149 CO 0.51 0.36 0.29 0.35 -1.23 0.00 0.00 174.94 175.22 1jiq n THR 150 N 3.72 0.00 -3.90 2.92 -2.24 -0.31 -4.81 114.28 109.67 1jiq n THR 150 Ca -0.11 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1jiq n THR 150 Cb 0.52 0.64 -0.16 0.00 -2.10 0.00 0.00 70.33 69.23 1jiq n THR 150 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1jiq s ASP 151 N -2.47 0.26 -0.12 3.42 1.11 -1.10 -1.32 116.67 116.45 1jiq s ASP 151 Ca -0.00 -0.01 0.02 0.00 0.18 0.00 0.00 52.55 52.74 1jiq s ASP 151 Cb 0.06 -0.13 -0.00 0.00 1.07 0.00 0.00 42.92 43.92 1jiq s ASP 151 CO 0.38 -0.08 -0.20 -0.69 1.18 0.00 0.00 175.17 175.76 1jiq s VAL 152 N 0.75 2.34 -0.23 -1.27 1.01 0.11 -0.85 120.40 122.27 1jiq s VAL 152 Ca -0.07 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1jiq s VAL 152 Cb -0.10 -1.94 0.05 0.00 0.00 0.00 0.00 36.38 34.39 1jiq s VAL 152 CO -0.02 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 1jiq s ILE 153 N 0.53 1.96 -0.11 2.22 1.09 0.29 -0.38 121.20 126.79 1jiq s ILE 153 Ca -0.12 -1.33 -0.23 0.00 -1.10 0.00 0.00 60.65 57.86 1jiq s ILE 153 Cb -0.17 -2.03 -0.03 0.00 -1.06 0.00 0.00 42.46 39.18 1jiq s ILE 153 CO 0.04 0.10 0.69 0.21 -0.10 0.00 0.00 174.94 175.89 1jiq s ASN 154 N 1.23 6.90 -0.20 3.58 2.47 -0.02 -0.18 114.94 128.73 1jiq s ASN 154 Ca -0.05 1.09 0.01 0.00 0.42 0.00 0.00 52.86 54.33 1jiq s ASN 154 Cb -0.18 -2.40 0.02 0.00 -1.45 0.00 0.00 41.25 37.25 1jiq s ASN 154 CO -0.07 -0.19 -0.17 -0.63 -3.72 0.00 0.00 177.10 172.32 1jiq s ILE 155 N 1.25 2.22 0.05 -5.21 1.01 0.24 -0.76 121.20 119.99 1jiq s ILE 155 Ca 0.35 -1.02 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 1jiq s ILE 155 Cb -0.17 -2.01 0.10 0.00 0.01 0.00 0.00 42.46 40.39 1jiq s ILE 155 CO 0.15 0.42 1.16 -0.83 0.00 0.00 0.00 174.94 175.84 1jiq s GLY 156 N 1.28 -0.34 0.30 6.18 0.00 -0.87 -1.17 107.32 112.69 1jiq s GLY 156 Ca 0.03 0.48 0.11 0.00 0.00 0.00 0.00 44.72 45.34 1jiq s GLY 156 CO -0.11 0.08 -0.16 -0.26 0.00 0.00 0.00 173.10 172.66 1jiq s ILE 157 N -2.76 2.36 0.00 0.90 -4.36 -1.26 -4.08 121.20 111.99 1jiq s ILE 157 Ca 0.13 -2.32 0.00 0.00 -0.26 0.00 0.00 60.65 58.20 1jiq s ILE 157 Cb 0.02 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.31 1jiq s ILE 157 CO -0.02 -0.33 0.00 0.61 0.24 0.00 0.00 174.94 175.45 1jiq n GLY 158 N -0.68 3.33 0.31 6.27 0.00 -1.26 -0.88 105.19 112.28 1jiq n GLY 158 Ca -0.05 0.21 0.20 0.00 0.00 0.00 0.00 46.02 46.38 1jiq n GLY 158 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1jiq h GLY 159 N 0.00 0.00 1.18 -0.02 0.00 -1.97 -1.11 103.07 101.15 1jiq h GLY 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jiq h GLY 159 CO 0.00 0.00 -0.03 1.44 0.00 0.00 0.00 176.54 177.95 1jiq n SER 160 N -3.05 0.18 0.03 0.19 7.64 -0.06 -4.39 113.62 114.17 1jiq n SER 160 Ca -0.01 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.35 1jiq n SER 160 Cb 0.17 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1jiq n SER 160 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1jiq n ASP 161 N -1.08 0.59 -0.24 6.43 2.03 -0.53 -4.60 116.55 119.16 1jiq n ASP 161 Ca 0.17 0.09 -0.04 0.00 0.52 0.00 0.00 54.79 55.53 1jiq n ASP 161 Cb 0.22 -0.17 0.07 0.00 -0.72 0.00 0.00 41.12 40.53 1jiq n ASP 161 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1jiq h LEU 162 N 0.00 0.69 0.57 -2.67 3.38 -1.47 -0.96 115.31 114.85 1jiq h LEU 162 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1jiq h LEU 162 Cb 0.41 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.02 1jiq h LEU 162 CO 0.00 0.48 -0.28 1.23 0.09 0.00 0.00 178.44 179.96 1jiq h GLY 163 N 0.83 -0.81 0.32 0.83 0.00 -1.82 -0.34 103.07 102.07 1jiq h GLY 163 Ca 0.27 0.30 0.15 0.00 0.00 0.00 0.00 47.33 48.04 1jiq h GLY 163 CO -0.10 -0.29 0.58 -2.55 0.00 0.00 0.00 176.54 174.17 1jiq h PRO 164 N -1.06 0.81 -0.14 4.80 0.11 -1.84 0.52 132.00 135.21 1jiq h PRO 164 Ca -0.08 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 1jiq h PRO 164 Cb 0.65 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1jiq h PRO 164 CO 0.13 0.54 0.01 1.25 -0.21 0.00 0.00 178.00 179.72 1jiq h LEU 165 N 0.83 0.23 -0.69 2.35 6.46 -1.14 -1.40 115.31 121.95 1jiq h LEU 165 Ca 0.51 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1jiq h LEU 165 Cb 0.64 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.48 1jiq h LEU 165 CO -0.32 0.45 0.38 -0.03 -0.62 0.00 0.00 178.44 178.30 1jiq h MET 166 N -0.01 0.96 -0.16 1.25 4.05 -0.47 -1.38 114.93 119.18 1jiq h MET 166 Ca 0.04 -0.11 -0.14 0.00 -0.28 0.00 0.00 59.70 59.21 1jiq h MET 166 Cb 0.33 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1jiq h MET 166 CO 0.00 0.72 -0.43 0.28 0.23 0.00 0.00 176.91 177.71 1jiq h VAL 167 N 0.95 1.34 -0.32 -5.77 2.07 -0.87 -0.93 116.25 112.73 1jiq h VAL 167 Ca 0.24 -1.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.00 1jiq h VAL 167 Cb 0.04 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1jiq h VAL 167 CO -0.04 0.52 -0.07 0.71 0.02 0.00 0.00 177.57 178.71 1jiq h THR 168 N 0.21 1.22 -0.57 2.57 1.35 -1.19 0.20 112.91 116.71 1jiq h THR 168 Ca -0.01 -0.92 -0.09 0.00 -0.55 0.00 0.00 66.41 64.84 1jiq h THR 168 Cb 1.05 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 1jiq h THR 168 CO 0.09 0.31 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.34 1jiq h GLU 169 N 0.49 1.00 0.00 4.72 4.39 -1.10 -2.76 114.58 121.33 1jiq h GLU 169 Ca 0.10 -0.32 -0.13 0.00 0.34 0.00 0.00 59.36 59.34 1jiq h GLU 169 Cb 0.42 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1jiq h GLU 169 CO 0.02 1.00 -0.62 0.00 -1.16 0.00 0.00 179.01 178.25 1jiq h ALA 170 N 0.97 0.92 -0.52 3.43 0.00 -0.56 -3.24 119.26 120.26 1jiq h ALA 170 Ca 0.16 -0.57 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1jiq h ALA 170 Cb 0.55 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.12 1jiq h ALA 170 CO 0.03 0.78 0.13 1.28 0.00 0.00 0.00 179.25 181.47 1jiq n LEU 171 N -3.73 4.91 -0.30 0.00 4.77 0.00 -4.75 117.00 117.91 1jiq n LEU 171 Ca -0.01 -3.48 0.10 0.00 -0.03 0.00 0.00 56.01 52.59 1jiq n LEU 171 Cb 0.63 -0.67 0.33 0.00 -2.33 0.00 0.00 43.42 41.38 1jiq n LEU 171 CO 0.42 1.01 1.22 0.50 -1.33 0.00 0.00 177.39 179.22 1jiq h LYS 172 N 1.48 0.77 0.00 3.23 1.63 -1.52 0.19 116.57 122.35 1jiq h LYS 172 Ca 0.26 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1jiq h LYS 172 Cb 1.96 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.41 1jiq h LYS 172 CO 0.55 0.51 0.00 -2.30 -3.45 0.00 0.00 179.45 174.76 1jiq n PRO 173 N -4.58 0.16 -0.47 1.90 -0.02 -1.26 -2.16 135.00 128.57 1jiq n PRO 173 Ca 0.18 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 62.33 1jiq n PRO 173 Cb 0.42 -1.95 0.28 0.00 -0.02 0.00 0.00 33.50 32.23 1jiq n PRO 173 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jiq n TYR 174 N -2.27 1.14 -0.20 6.00 4.02 0.66 -4.43 117.16 122.07 1jiq n TYR 174 Ca -0.01 -0.46 0.09 0.00 -0.01 0.00 0.00 57.90 57.52 1jiq n TYR 174 Cb 0.08 -0.18 0.24 0.00 -0.02 0.00 0.00 39.34 39.45 1jiq n TYR 174 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1jiq n SER 175 N 0.87 3.44 -4.69 7.72 3.41 -0.92 -4.40 113.62 119.06 1jiq n SER 175 Ca 0.20 -1.98 -0.45 0.00 -0.26 0.00 0.00 58.87 56.39 1jiq n SER 175 Cb 0.70 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 1jiq n SER 175 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1jiq n SER 176 N 1.17 3.35 0.00 4.04 2.88 -1.26 -0.68 113.62 123.12 1jiq n SER 176 Ca 0.18 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1jiq n SER 176 Cb 0.53 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1jiq n SER 176 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jiq n GLY 177 N 3.33 0.84 3.85 0.46 0.00 -1.26 -5.01 105.19 107.40 1jiq n GLY 177 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1jiq n GLY 177 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jiq s GLY 178 N -1.82 1.43 0.71 -0.02 0.00 0.15 -4.89 107.32 102.89 1jiq s GLY 178 Ca 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 44.72 43.27 1jiq s GLY 178 CO 0.00 -1.37 1.08 2.56 0.00 0.00 0.00 173.10 175.38 1jiq s PRO 179 N -3.72 2.64 0.48 2.90 0.04 -1.26 -4.99 135.00 131.10 1jiq s PRO 179 Ca 0.33 1.14 -0.23 0.00 0.04 0.00 0.00 61.00 62.28 1jiq s PRO 179 Cb -0.09 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 1jiq s PRO 179 CO 0.26 -1.34 1.29 1.03 0.04 0.00 0.00 177.00 178.28 1jiq s ARG 180 N -4.74 3.54 -0.01 4.56 0.52 -0.43 -4.71 118.95 117.68 1jiq s ARG 180 Ca 0.61 2.09 0.05 0.00 -0.52 0.00 0.00 55.73 57.97 1jiq s ARG 180 Cb -0.17 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.84 1jiq s ARG 180 CO 0.52 -0.83 -0.16 0.14 0.02 0.00 0.00 175.30 174.99 1jiq s VAL 181 N -1.36 2.92 0.05 3.52 -7.23 -1.26 -0.71 120.40 116.33 1jiq s VAL 181 Ca 0.65 -0.95 0.06 0.00 -1.81 0.00 0.00 61.98 59.94 1jiq s VAL 181 Cb -0.37 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.37 1jiq s VAL 181 CO 0.45 0.47 -0.18 0.26 -0.31 0.00 0.00 175.10 175.78 1jiq s TRP 182 N -0.82 1.57 -0.14 2.82 0.52 0.49 -4.96 118.94 118.43 1jiq s TRP 182 Ca 0.13 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.89 1jiq s TRP 182 Cb -0.11 -0.92 0.01 0.00 -1.15 0.00 0.00 33.47 31.31 1jiq s TRP 182 CO 0.03 0.09 -0.21 0.71 0.02 0.00 0.00 176.95 177.59 1jiq s TYR 183 N -0.92 2.60 -0.18 -1.98 1.51 -1.26 -0.84 117.35 116.28 1jiq s TYR 183 Ca 0.05 -1.30 0.00 0.00 -1.01 0.00 0.00 57.07 54.81 1jiq s TYR 183 Cb -0.09 -1.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.00 1jiq s TYR 183 CO 0.02 -0.60 -0.18 0.08 -1.11 0.00 0.00 175.55 173.76 1jiq s VAL 184 N 0.83 2.24 0.00 0.71 1.01 0.06 -4.98 120.40 120.26 1jiq s VAL 184 Ca -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1jiq s VAL 184 Cb -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1jiq s VAL 184 CO -0.02 0.53 0.00 -1.54 0.00 0.00 0.00 175.10 174.07 1jiq n SER 185 N 4.60 1.14 -4.77 3.32 3.41 -1.26 -2.06 113.62 118.00 1jiq n SER 185 Ca -0.21 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.00 1jiq n SER 185 Cb 0.50 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1jiq n SER 185 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1jiq s ASN 186 N -4.00 6.57 0.41 4.04 3.84 -1.26 -4.72 114.94 119.83 1jiq s ASN 186 Ca 0.00 2.84 0.20 0.00 0.21 0.00 0.00 52.86 56.12 1jiq s ASN 186 Cb 0.00 -2.65 0.88 0.00 -0.55 0.00 0.00 41.25 38.92 1jiq s ASN 186 CO 0.00 -0.70 1.83 -0.29 -2.79 0.00 0.00 177.10 175.15 1jiq h ILE 187 N 3.08 0.82 -1.62 -5.21 6.09 -1.98 -3.44 117.51 115.24 1jiq h ILE 187 Ca -0.49 -1.23 -0.72 0.00 -1.37 0.00 0.00 64.86 61.05 1jiq h ILE 187 Cb 1.23 1.75 0.02 0.00 0.47 0.00 0.00 36.82 40.29 1jiq h ILE 187 CO 0.67 0.29 0.86 -0.67 -3.07 0.00 0.00 178.15 176.23 1jiq n ASP 188 N -3.61 2.40 0.30 2.19 4.64 -1.26 -4.78 116.55 116.42 1jiq n ASP 188 Ca -0.01 1.07 0.17 0.00 -1.38 0.00 0.00 54.79 54.65 1jiq n ASP 188 Cb 0.43 -1.18 0.98 0.00 -1.04 0.00 0.00 41.12 40.31 1jiq n ASP 188 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1jiq h GLY 189 N 7.00 0.00 -0.12 0.27 0.00 -2.02 -0.91 103.07 107.29 1jiq h GLY 189 Ca -0.47 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.12 1jiq h GLY 189 CO 0.93 0.00 0.65 -0.84 0.00 0.00 0.00 176.54 177.28 1jiq h THR 190 N 0.00 0.54 0.40 4.70 2.02 -1.93 -0.56 112.91 118.07 1jiq h THR 190 Ca 0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1jiq h THR 190 Cb 0.08 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.54 1jiq h THR 190 CO -0.00 0.08 -0.19 -0.74 0.37 0.00 0.00 175.52 175.04 1jiq h HIS 191 N 0.45 -0.49 -0.29 3.16 2.76 -1.45 -1.80 115.15 117.48 1jiq h HIS 191 Ca 0.60 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.59 1jiq h HIS 191 Cb 1.42 0.16 -0.00 0.00 1.55 0.00 0.00 27.41 30.54 1jiq h HIS 191 CO -0.00 -0.17 -0.49 0.97 -1.30 0.00 0.00 177.93 176.93 1jiq h ILE 192 N -0.88 1.28 -0.15 6.26 6.09 -1.71 -2.88 117.51 125.52 1jiq h ILE 192 Ca -0.05 -1.69 0.02 0.00 -1.37 0.00 0.00 64.86 61.77 1jiq h ILE 192 Cb 0.55 1.58 -0.02 0.00 0.47 0.00 0.00 36.82 39.40 1jiq h ILE 192 CO 0.09 0.55 0.04 0.00 -3.07 0.00 0.00 178.15 175.76 1jiq h ALA 193 N 0.80 0.16 0.00 0.18 0.00 -1.08 0.12 119.26 119.44 1jiq h ALA 193 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jiq h ALA 193 Cb 1.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1jiq h ALA 193 CO 0.11 -0.40 -0.06 1.57 0.00 0.00 0.00 179.25 180.47 1jiq h LYS 194 N 0.12 0.00 0.03 0.00 2.10 -1.38 -2.07 116.57 115.36 1jiq h LYS 194 Ca 0.07 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1jiq h LYS 194 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1jiq h LYS 194 CO -0.07 0.06 -0.01 1.15 -2.00 0.00 0.00 179.45 178.58 1jiq h THR 195 N 0.00 1.42 0.00 0.07 2.02 -1.14 -3.32 112.91 111.96 1jiq h THR 195 Ca -0.00 -1.79 -0.01 0.00 0.77 0.00 0.00 66.41 65.38 1jiq h THR 195 Cb 0.62 2.56 -0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1jiq h THR 195 CO 0.01 0.43 -0.03 -0.07 0.37 0.00 0.00 175.52 176.24 1jiq h LEU 196 N -0.87 0.00 -1.75 2.58 3.38 -0.63 -1.25 115.31 116.77 1jiq h LEU 196 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jiq h LEU 196 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1jiq h LEU 196 CO 0.01 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1jiq h ALA 197 N 1.97 1.00 -0.26 1.53 0.00 -1.47 -1.99 119.26 120.04 1jiq h ALA 197 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jiq h ALA 197 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1jiq h ALA 197 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1jiq n GLN 198 N -2.76 2.27 -4.40 0.00 6.02 -0.47 -5.01 117.38 113.02 1jiq n GLN 198 Ca -0.01 -2.07 -0.25 0.00 -0.01 0.00 0.00 57.00 54.66 1jiq n GLN 198 Cb 0.17 -1.45 -0.09 0.00 1.02 0.00 0.00 30.24 29.89 1jiq n GLN 198 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1jiq s LEU 199 N -1.50 2.93 -0.14 1.08 1.43 -0.75 -5.13 118.68 116.60 1jiq s LEU 199 Ca 0.32 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.34 1jiq s LEU 199 Cb 0.20 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 45.21 1jiq s LEU 199 CO 0.28 -0.30 -0.20 0.20 0.23 0.00 0.00 176.35 176.56 1jiq s ASN 200 N -3.72 2.99 0.51 2.29 -0.87 -1.26 -5.02 114.94 109.86 1jiq s ASN 200 Ca 0.35 -0.58 0.21 0.00 -1.57 0.00 0.00 52.86 51.27 1jiq s ASN 200 Cb 0.02 -1.38 1.31 0.00 -0.02 0.00 0.00 41.25 41.18 1jiq s ASN 200 CO 0.19 0.05 2.03 -0.65 -2.57 0.00 0.00 177.10 176.15 1jiq h PRO 201 N 7.49 0.06 0.00 -0.60 0.11 -1.94 -2.00 132.00 135.12 1jiq h PRO 201 Ca -0.35 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1jiq h PRO 201 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jiq h PRO 201 CO 0.56 0.04 -0.10 0.93 -0.21 0.00 0.00 178.00 179.22 1jiq h GLU 202 N 0.06 0.00 0.00 1.05 3.07 -1.96 -3.21 114.58 113.59 1jiq h GLU 202 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1jiq h GLU 202 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1jiq h GLU 202 CO -0.01 0.10 -0.09 -1.13 -1.40 0.00 0.00 179.01 176.47 1jiq n SER 203 N -3.27 1.58 -4.55 1.42 3.41 -0.78 -4.30 113.62 107.13 1jiq n SER 203 Ca -0.00 -2.39 -0.34 0.00 -0.26 0.00 0.00 58.87 55.89 1jiq n SER 203 Cb 0.33 -0.23 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 1jiq n SER 203 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1jiq s SER 204 N -1.74 4.78 -0.15 4.04 0.01 -1.01 -1.16 113.70 118.47 1jiq s SER 204 Ca 0.14 -0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.35 1jiq s SER 204 Cb 0.13 -1.53 0.01 0.00 0.21 0.00 0.00 66.02 64.84 1jiq s SER 204 CO 0.01 0.26 -0.18 -0.22 0.41 0.00 0.00 173.24 173.53 1jiq s LEU 205 N -0.21 2.30 -0.15 2.44 2.96 -0.03 -4.76 118.68 121.22 1jiq s LEU 205 Ca 0.04 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.33 1jiq s LEU 205 Cb -0.13 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1jiq s LEU 205 CO 0.02 0.07 0.09 -0.36 -1.32 0.00 0.00 176.35 174.85 1jiq s PHE 206 N 0.90 3.37 -0.32 5.38 0.40 0.12 -0.55 117.98 127.28 1jiq s PHE 206 Ca -0.04 0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.52 1jiq s PHE 206 Cb -0.15 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.43 1jiq s PHE 206 CO -0.03 0.42 0.05 0.42 0.70 0.00 0.00 175.22 176.78 1jiq s ILE 207 N -0.30 3.40 -0.46 0.64 1.01 0.75 -1.04 121.20 125.20 1jiq s ILE 207 Ca 0.09 -1.22 -0.16 0.00 0.00 0.00 0.00 60.65 59.36 1jiq s ILE 207 Cb -0.12 -2.92 0.05 0.00 0.01 0.00 0.00 42.46 39.48 1jiq s ILE 207 CO 0.01 -0.12 0.43 -0.63 0.00 0.00 0.00 174.94 174.63 1jiq s ILE 208 N 1.34 5.14 -0.51 2.92 -1.09 -0.13 -0.59 121.20 128.29 1jiq s ILE 208 Ca -0.03 -0.73 -0.16 0.00 -2.23 0.00 0.00 60.65 57.50 1jiq s ILE 208 Cb -0.19 -4.10 0.09 0.00 -1.58 0.00 0.00 42.46 36.68 1jiq s ILE 208 CO 0.01 -0.53 0.48 0.00 -1.23 0.00 0.00 174.94 173.66 1jiq s ALA 209 N 1.94 3.56 -0.30 9.38 0.00 -0.32 -1.12 121.76 134.90 1jiq s ALA 209 Ca 0.08 -2.21 -0.07 0.00 0.00 0.00 0.00 51.96 49.75 1jiq s ALA 209 Cb -0.21 -3.20 0.17 0.00 0.00 0.00 0.00 23.12 19.89 1jiq s ALA 209 CO 0.10 -1.90 0.77 0.45 0.00 0.00 0.00 175.76 175.18 1jiq s SER 210 N 3.00 -1.02 0.18 0.00 0.15 -0.39 -4.56 113.70 111.06 1jiq s SER 210 Ca 0.05 0.82 -0.14 0.00 0.70 0.00 0.00 55.95 57.39 1jiq s SER 210 Cb -0.25 1.93 0.16 0.00 -1.71 0.00 0.00 66.02 66.14 1jiq s SER 210 CO 0.06 -0.19 1.72 0.50 1.20 0.00 0.00 173.24 176.53 1jiq h LYS 211 N 7.94 0.24 0.00 5.44 1.63 -1.95 -2.16 116.57 127.71 1jiq h LYS 211 Ca -0.19 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.57 1jiq h LYS 211 Cb 1.15 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1jiq h LYS 211 CO 0.12 0.16 -0.42 1.79 -3.45 0.00 0.00 179.45 177.66 1jiq h THR 212 N 0.25 0.18 -2.48 1.00 1.35 -1.97 -2.59 112.91 108.65 1jiq h THR 212 Ca 0.23 -1.27 -0.38 0.00 -0.55 0.00 0.00 66.41 64.44 1jiq h THR 212 Cb 0.28 1.95 -0.06 0.00 -1.73 0.00 0.00 68.15 68.59 1jiq h THR 212 CO -0.29 0.10 -0.44 0.33 -0.25 0.00 0.00 175.52 174.98 1jiq n PHE 213 N -3.01 -0.76 -0.34 4.73 7.35 -0.81 -4.65 117.46 119.97 1jiq n PHE 213 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1jiq n PHE 213 Cb 0.59 -3.52 0.00 0.00 0.35 0.00 0.00 39.48 36.90 1jiq n PHE 213 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1jiq n THR 214 N -3.29 0.34 -1.64 -2.13 -2.24 -1.26 -4.92 114.28 99.13 1jiq n THR 214 Ca -0.21 -0.50 -0.48 0.00 -2.27 0.00 0.00 64.05 60.59 1jiq n THR 214 Cb 0.65 0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 1jiq n THR 214 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jiq n THR 215 N -0.17 0.51 0.11 4.28 -1.04 -1.26 -4.87 114.28 111.85 1jiq n THR 215 Ca 0.00 -0.17 -0.13 0.00 -2.04 0.00 0.00 64.05 61.71 1jiq n THR 215 Cb 0.22 -1.95 -0.06 0.00 -1.82 0.00 0.00 70.33 66.72 1jiq n THR 215 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1jiq h GLN 216 N 10.44 -0.49 -0.20 -2.82 4.15 -1.98 -0.22 115.11 123.99 1jiq h GLN 216 Ca -0.45 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.00 1jiq h GLN 216 Cb 1.27 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.07 1jiq h GLN 216 CO 0.96 -0.33 0.11 0.93 -1.93 0.00 0.00 178.83 178.57 1jiq h GLU 217 N -0.51 0.28 -0.19 1.69 5.08 -1.96 0.66 114.58 119.62 1jiq h GLU 217 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jiq h GLU 217 Cb 0.55 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1jiq h GLU 217 CO -0.18 0.25 0.11 1.15 -1.00 0.00 0.00 179.01 179.35 1jiq h THR 218 N 0.22 1.09 -0.23 1.13 2.02 -1.86 -1.18 112.91 114.09 1jiq h THR 218 Ca 0.07 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 66.91 1jiq h THR 218 Cb 0.06 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1jiq h THR 218 CO -0.01 0.08 -0.40 0.40 0.37 0.00 0.00 175.52 175.96 1jiq h ILE 219 N 0.23 1.30 0.05 3.11 1.08 -0.92 0.78 117.51 123.13 1jiq h ILE 219 Ca 0.07 -1.55 -0.00 0.00 -0.39 0.00 0.00 64.86 62.98 1jiq h ILE 219 Cb 0.03 1.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1jiq h ILE 219 CO -0.01 0.49 -0.02 0.74 -0.69 0.00 0.00 178.15 178.65 1jiq h THR 220 N 0.44 0.96 -0.65 -0.27 2.02 -0.60 0.28 112.91 115.09 1jiq h THR 220 Ca 0.04 -0.02 0.07 0.00 0.77 0.00 0.00 66.41 67.27 1jiq h THR 220 Cb 0.89 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 1jiq h THR 220 CO 0.08 0.00 0.33 0.78 0.37 0.00 0.00 175.52 177.08 1jiq h ASN 221 N -0.07 0.47 -0.76 4.18 2.35 -0.98 -0.92 115.58 119.84 1jiq h ASN 221 Ca -0.01 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1jiq h ASN 221 Cb 0.06 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 1jiq h ASN 221 CO 0.01 0.30 0.47 0.00 -1.65 0.00 0.00 177.43 176.56 1jiq h ALA 222 N 1.36 0.97 -0.40 -0.83 0.00 -0.54 -0.62 119.26 119.20 1jiq h ALA 222 Ca 0.30 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1jiq h ALA 222 Cb 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1jiq h ALA 222 CO -0.21 0.43 -0.14 0.93 0.00 0.00 0.00 179.25 180.26 1jiq h GLU 223 N 1.04 0.73 -0.46 0.00 5.08 -0.41 -0.35 114.58 120.21 1jiq h GLU 223 Ca 0.27 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1jiq h GLU 223 Cb -0.05 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1jiq h GLU 223 CO -0.05 0.84 0.06 1.15 -1.00 0.00 0.00 179.01 180.00 1jiq h THR 224 N 0.66 1.25 -0.55 1.13 2.02 -0.81 -0.39 112.91 116.22 1jiq h THR 224 Ca 0.11 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1jiq h THR 224 Cb 0.61 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1jiq h THR 224 CO 0.04 0.33 0.35 0.00 0.37 0.00 0.00 175.52 176.61 1jiq h ALA 225 N 0.94 0.69 -0.62 6.16 0.00 -0.78 -1.83 119.26 123.83 1jiq h ALA 225 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1jiq h ALA 225 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1jiq h ALA 225 CO 0.01 0.15 0.15 -0.22 0.00 0.00 0.00 179.25 179.34 1jiq h LYS 226 N 0.74 0.97 -0.16 0.00 3.64 -0.90 0.33 116.57 121.20 1jiq h LYS 226 Ca 0.20 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1jiq h LYS 226 Cb -0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1jiq h LYS 226 CO -0.04 0.87 0.09 1.49 -2.27 0.00 0.00 179.45 179.59 1jiq h GLU 227 N 0.93 0.22 -0.68 1.90 4.81 -0.82 0.87 114.58 121.80 1jiq h GLU 227 Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1jiq h GLU 227 Cb 0.33 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1jiq h GLU 227 CO 0.00 0.21 0.44 2.35 -0.73 0.00 0.00 179.01 181.27 1jiq h TRP 228 N 0.17 0.87 -0.12 0.92 7.01 -1.11 -0.83 115.95 122.86 1jiq h TRP 228 Ca 0.06 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 1jiq h TRP 228 Cb 0.05 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 1jiq h TRP 228 CO -0.05 0.57 0.06 0.35 -2.79 0.00 0.00 178.44 176.58 1jiq h PHE 229 N 0.93 0.17 0.00 2.65 3.57 -0.67 -2.97 116.94 120.63 1jiq h PHE 229 Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1jiq h PHE 229 Cb -0.08 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 1jiq h PHE 229 CO -0.02 0.23 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.15 1jiq h LEU 230 N 0.06 0.00 -1.56 0.59 3.38 -0.57 -0.48 115.31 116.73 1jiq h LEU 230 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1jiq h LEU 230 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1jiq h LEU 230 CO -0.01 0.07 0.09 1.56 0.09 0.00 0.00 178.44 180.25 1jiq h GLN 231 N 0.00 0.38 0.11 1.13 4.20 -0.98 0.18 115.11 120.12 1jiq h GLN 231 Ca -0.00 -0.04 -0.34 0.00 0.06 0.00 0.00 58.65 58.32 1jiq h GLN 231 Cb 0.56 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 1jiq h GLN 231 CO 0.01 0.33 -1.85 0.00 -0.67 0.00 0.00 178.83 176.65 1jiq h ALA 232 N 1.73 0.39 0.05 3.87 0.00 -1.27 -3.41 119.26 120.62 1jiq h ALA 232 Ca 0.10 -1.35 -0.26 0.00 0.00 0.00 0.00 54.91 53.40 1jiq h ALA 232 Cb 0.11 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1jiq h ALA 232 CO -0.01 1.19 -1.32 0.00 0.00 0.00 0.00 179.25 179.11 1jiq h ALA 233 N -0.03 0.37 0.00 0.00 0.00 -1.07 -3.47 119.26 115.06 1jiq h ALA 233 Ca -0.41 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1jiq h ALA 233 Cb 1.91 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1jiq h ALA 233 CO 0.04 1.25 0.00 1.63 0.00 0.00 0.00 179.25 182.16 1jiq n LYS 234 N -3.35 0.00 -2.89 0.00 4.76 0.62 -4.91 118.16 112.39 1jiq n LYS 234 Ca -0.09 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.93 1jiq n LYS 234 Cb 1.00 -0.36 -0.04 0.00 -1.84 0.00 0.00 35.03 33.79 1jiq n LYS 234 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1jiq s ASP 235 N 0.00 6.67 0.49 4.39 2.15 -1.26 -4.93 116.67 124.17 1jiq s ASP 235 Ca 0.00 0.62 0.20 0.00 0.43 0.00 0.00 52.55 53.80 1jiq s ASP 235 Cb 0.00 -2.43 1.23 0.00 -0.30 0.00 0.00 42.92 41.42 1jiq s ASP 235 CO 0.00 -0.71 1.99 -0.65 -0.17 0.00 0.00 175.17 175.62 1jiq h PRO 236 N 8.26 0.17 0.00 4.34 0.11 -1.97 0.78 132.00 143.70 1jiq h PRO 236 Ca -0.24 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 1jiq h PRO 236 Cb 1.09 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1jiq h PRO 236 CO 0.92 0.11 -0.02 0.66 -0.21 0.00 0.00 178.00 179.46 1jiq h SER 237 N 0.18 0.00 0.95 -2.05 4.64 -1.95 -2.82 113.55 112.51 1jiq h SER 237 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1jiq h SER 237 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1jiq h SER 237 CO -0.04 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 1jiq n ALA 238 N -2.11 1.85 -0.14 5.18 0.00 0.27 -3.01 120.51 122.55 1jiq n ALA 238 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.50 1jiq n ALA 238 Cb 0.30 -1.41 0.28 0.00 0.00 0.00 0.00 19.45 18.62 1jiq n ALA 238 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jiq h VAL 239 N 0.00 1.18 0.00 0.00 2.07 -1.62 -2.38 116.25 115.49 1jiq h VAL 239 Ca 0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1jiq h VAL 239 Cb 0.47 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1jiq h VAL 239 CO 0.00 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1jiq h ALA 240 N 1.55 1.00 0.00 1.67 0.00 -1.46 -1.48 119.26 120.53 1jiq h ALA 240 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1jiq h ALA 240 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jiq h ALA 240 CO -0.04 0.00 -0.60 1.63 0.00 0.00 0.00 179.25 180.24 1jiq n LYS 241 N -2.87 0.17 0.00 0.00 4.76 -0.90 -4.38 118.16 114.95 1jiq n LYS 241 Ca -0.02 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1jiq n LYS 241 Cb 0.11 -1.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 1jiq n LYS 241 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1jiq n HIS 242 N -1.85 0.00 -4.03 2.13 8.25 -0.70 -4.71 115.22 114.30 1jiq n HIS 242 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.29 1jiq n HIS 242 Cb 0.40 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.34 1jiq n HIS 242 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jiq s PHE 243 N -0.02 0.75 0.24 4.41 0.40 -0.64 0.16 117.98 123.28 1jiq s PHE 243 Ca 0.00 -0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.18 1jiq s PHE 243 Cb 0.00 -0.73 -0.05 0.00 0.51 0.00 0.00 43.02 42.75 1jiq s PHE 243 CO 0.00 -0.25 -0.09 0.14 0.70 0.00 0.00 175.22 175.72 1jiq s VAL 244 N 1.26 1.66 -0.01 -0.44 -7.23 -0.21 -4.64 120.40 110.78 1jiq s VAL 244 Ca -0.06 -2.16 0.05 0.00 -1.81 0.00 0.00 61.98 58.01 1jiq s VAL 244 Cb -0.14 -2.26 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1jiq s VAL 244 CO -0.02 -0.43 -0.18 0.00 -0.31 0.00 0.00 175.10 174.16 1jiq s ALA 245 N -3.01 1.47 -0.54 1.32 0.00 -0.71 -0.95 121.76 119.33 1jiq s ALA 245 Ca 0.26 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 1jiq s ALA 245 Cb 0.02 -0.37 0.14 0.00 0.00 0.00 0.00 23.12 22.91 1jiq s ALA 245 CO 0.09 0.36 0.40 -0.51 0.00 0.00 0.00 175.76 176.11 1jiq s LEU 246 N -0.43 5.67 0.19 0.00 1.43 -0.27 -0.07 118.68 125.20 1jiq s LEU 246 Ca 0.07 -2.25 -0.23 0.00 -1.03 0.00 0.00 54.13 50.69 1jiq s LEU 246 Cb -0.07 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.24 1jiq s LEU 246 CO -0.01 -0.58 0.95 -0.55 0.23 0.00 0.00 176.35 176.39 1jiq s SER 247 N 2.04 -0.12 0.00 2.29 0.15 -0.78 -1.26 113.70 116.02 1jiq s SER 247 Ca 0.10 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1jiq s SER 247 Cb -0.22 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1jiq s SER 247 CO -0.03 -1.03 0.38 0.35 1.20 0.00 0.00 173.24 174.11 1jiq n THR 248 N -0.53 0.00 -2.86 6.45 -2.24 -0.98 -3.81 114.28 110.31 1jiq n THR 248 Ca -0.05 -0.44 -0.44 0.00 -2.27 0.00 0.00 64.05 60.85 1jiq n THR 248 Cb 0.60 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1jiq n THR 248 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jiq n ASN 249 N -0.11 5.18 -0.25 3.42 4.05 -1.23 -4.85 115.26 121.47 1jiq n ASN 249 Ca 0.00 -2.98 0.05 0.00 0.45 0.00 0.00 54.58 52.10 1jiq n ASN 249 Cb 0.03 -1.58 0.18 0.00 1.23 0.00 0.00 39.78 39.63 1jiq n ASN 249 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 1jiq h THR 250 N 4.66 0.52 -0.06 -0.44 2.02 -1.95 -1.34 112.91 116.32 1jiq h THR 250 Ca 0.34 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.42 1jiq h THR 250 Cb 0.85 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1jiq h THR 250 CO 1.30 0.05 0.02 0.74 0.37 0.00 0.00 175.52 178.00 1jiq h THR 251 N 0.27 1.14 -0.41 3.16 2.02 -1.99 -0.84 112.91 116.26 1jiq h THR 251 Ca 0.41 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1jiq h THR 251 Cb 0.70 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1jiq h THR 251 CO -0.51 0.12 -0.13 0.11 0.37 0.00 0.00 175.52 175.48 1jiq h LYS 252 N -0.07 0.74 0.29 6.66 1.79 -1.86 0.04 116.57 124.17 1jiq h LYS 252 Ca 0.02 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 1jiq h LYS 252 Cb 0.17 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1jiq h LYS 252 CO -0.00 0.84 -0.14 0.28 -1.08 0.00 0.00 179.45 179.35 1jiq h VAL 253 N 0.67 0.73 -0.76 0.50 2.07 -1.13 -1.38 116.25 116.96 1jiq h VAL 253 Ca 0.11 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1jiq h VAL 253 Cb 0.61 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1jiq h VAL 253 CO 0.04 0.02 0.46 0.50 0.02 0.00 0.00 177.57 178.61 1jiq h LYS 254 N -0.43 0.86 -0.06 1.57 3.64 -0.96 -1.90 116.57 119.29 1jiq h LYS 254 Ca -0.04 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 1jiq h LYS 254 Cb 0.33 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1jiq h LYS 254 CO 0.06 0.57 -0.14 0.93 -2.27 0.00 0.00 179.45 178.60 1jiq h GLU 255 N 0.88 0.08 0.00 1.90 5.08 -0.73 -0.99 114.58 120.80 1jiq h GLU 255 Ca 0.32 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1jiq h GLU 255 Cb 0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1jiq h GLU 255 CO -0.14 0.23 -0.19 0.35 -1.00 0.00 0.00 179.01 178.26 1jiq h PHE 256 N 0.08 0.00 0.00 4.33 3.57 -0.43 -3.46 116.94 121.03 1jiq h PHE 256 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1jiq h PHE 256 Cb 0.31 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1jiq h PHE 256 CO 0.00 0.19 0.00 0.41 -2.23 0.00 0.00 178.31 176.68 1jiq n GLY 257 N -0.36 1.05 3.78 2.40 0.00 -0.38 -5.05 105.19 106.63 1jiq n GLY 257 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1jiq n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jiq s ILE 258 N -2.00 4.45 -0.26 -0.61 1.01 -1.08 -3.08 121.20 119.63 1jiq s ILE 258 Ca 0.00 1.64 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 1jiq s ILE 258 Cb 0.00 -4.11 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 1jiq s ILE 258 CO 0.00 0.51 1.38 -0.62 0.00 0.00 0.00 174.94 176.21 1jiq s ASP 259 N -1.03 6.64 0.66 3.58 -1.08 -1.26 -3.89 116.67 120.29 1jiq s ASP 259 Ca 0.35 1.39 0.32 0.00 -0.52 0.00 0.00 52.55 54.09 1jiq s ASP 259 Cb -0.22 -2.54 1.75 0.00 -1.46 0.00 0.00 42.92 40.45 1jiq s ASP 259 CO 0.25 -1.08 2.00 -0.65 0.52 0.00 0.00 175.17 176.22 1jiq h PRO 260 N 9.49 0.00 0.00 4.34 0.11 -1.91 0.72 132.00 144.74 1jiq h PRO 260 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1jiq h PRO 260 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1jiq h PRO 260 CO 1.02 0.00 -0.00 0.37 -0.21 0.00 0.00 178.00 179.17 1jiq h GLN 261 N 0.00 0.00 -0.93 1.05 4.15 -2.01 -2.35 115.11 115.02 1jiq h GLN 261 Ca 0.02 0.00 -0.64 0.00 0.77 0.00 0.00 58.65 58.80 1jiq h GLN 261 Cb 0.58 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 27.95 1jiq h GLN 261 CO -0.00 0.00 0.43 0.09 -1.93 0.00 0.00 178.83 177.42 1jiq n ASN 262 N -3.59 6.92 -4.33 -0.69 3.02 0.25 -4.88 115.26 111.97 1jiq n ASN 262 Ca -0.03 -3.78 -0.38 0.00 -0.03 0.00 0.00 54.58 50.36 1jiq n ASN 262 Cb 0.08 -0.81 -0.12 0.00 -0.61 0.00 0.00 39.78 38.32 1jiq n ASN 262 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1jiq s MET 263 N -3.76 2.93 -0.33 3.52 1.75 -0.89 -1.73 119.30 120.79 1jiq s MET 263 Ca 0.61 -0.97 -0.17 0.00 -1.25 0.00 0.00 55.69 53.91 1jiq s MET 263 Cb 0.48 -3.45 -0.01 0.00 2.84 0.00 0.00 34.83 34.69 1jiq s MET 263 CO 0.00 -0.54 0.48 -0.06 -0.65 0.00 0.00 175.02 174.26 1jiq s PHE 264 N 1.48 3.20 0.33 4.11 0.40 0.90 -4.89 117.98 123.51 1jiq s PHE 264 Ca 0.01 0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 56.54 1jiq s PHE 264 Cb -0.18 -2.84 -0.05 0.00 0.51 0.00 0.00 43.02 40.46 1jiq s PHE 264 CO 0.03 -0.47 0.58 -1.21 0.70 0.00 0.00 175.22 174.85 1jiq s GLU 265 N 2.31 3.59 0.31 0.44 2.02 -1.25 -1.86 118.70 124.26 1jiq s GLU 265 Ca 0.18 -0.06 0.04 0.00 0.02 0.00 0.00 54.97 55.16 1jiq s GLU 265 Cb -0.16 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.44 1jiq s GLU 265 CO 0.12 0.15 0.32 1.97 0.02 0.00 0.00 175.26 177.84 1jiq n PHE 266 N -1.30 -0.92 -4.49 1.61 1.16 -1.26 -4.45 117.46 107.79 1jiq n PHE 266 Ca -0.02 -2.43 -0.23 0.00 -1.87 0.00 0.00 57.45 52.90 1jiq n PHE 266 Cb 0.55 0.34 -0.11 0.00 -1.61 0.00 0.00 39.48 38.65 1jiq n PHE 266 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1jiq s TRP 267 N -3.18 2.12 -0.83 2.97 0.51 -1.26 -4.85 118.94 114.42 1jiq s TRP 267 Ca 0.33 -0.82 0.18 0.00 -2.12 0.00 0.00 56.10 53.67 1jiq s TRP 267 Cb 0.01 -1.39 0.75 0.00 -0.81 0.00 0.00 33.47 32.03 1jiq s TRP 267 CO 0.24 0.19 1.56 -0.40 -0.51 0.00 0.00 176.95 178.02 1jiq n ASP 268 N -0.75 0.23 -0.92 2.95 5.68 -1.26 -1.44 116.55 121.04 1jiq n ASP 268 Ca -0.04 0.56 0.08 0.00 -0.50 0.00 0.00 54.79 54.89 1jiq n ASP 268 Cb 0.66 -0.60 0.22 0.00 -1.14 0.00 0.00 41.12 40.25 1jiq n ASP 268 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1jiq n TRP 269 N -1.75 0.69 -3.69 2.11 4.27 -1.26 -4.67 117.44 113.14 1jiq n TRP 269 Ca 0.03 -0.33 -0.39 0.00 -3.89 0.00 0.00 57.50 52.92 1jiq n TRP 269 Cb 0.19 -0.02 -0.11 0.00 -1.36 0.00 0.00 31.31 30.01 1jiq n TRP 269 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1jiq s VAL 270 N -1.40 3.99 0.34 -1.67 1.01 -0.52 -1.28 120.40 120.88 1jiq s VAL 270 Ca 0.33 -1.24 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 1jiq s VAL 270 Cb 0.17 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 1jiq s VAL 270 CO 0.21 -0.32 1.03 -0.83 0.00 0.00 0.00 175.10 175.19 1jiq s GLY 271 N 1.68 2.86 0.23 4.51 0.00 -1.26 -4.85 107.32 110.50 1jiq s GLY 271 Ca 0.01 0.71 -0.06 0.00 0.00 0.00 0.00 44.72 45.38 1jiq s GLY 271 CO 0.03 1.20 1.71 -1.33 0.00 0.00 0.00 173.10 174.70 1jiq h GLY 272 N 3.08 0.98 0.56 0.20 0.00 -1.96 0.12 103.07 106.05 1jiq h GLY 272 Ca -0.47 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1jiq h GLY 272 CO 0.64 -0.13 0.00 -0.96 0.00 0.00 0.00 176.54 176.10 1jiq n ARG 273 N -5.08 0.93 -0.74 4.80 1.85 -1.26 -2.14 116.66 115.02 1jiq n ARG 273 Ca 0.12 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.02 1jiq n ARG 273 Cb 0.39 -1.28 0.09 0.00 -1.05 0.00 0.00 32.46 30.60 1jiq n ARG 273 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1jiq n TYR 274 N -0.78 0.00 0.94 2.89 4.02 0.27 -4.76 117.16 119.74 1jiq n TYR 274 Ca 0.13 -0.72 0.10 0.00 -0.01 0.00 0.00 57.90 57.40 1jiq n TYR 274 Cb 0.06 -0.15 -0.03 0.00 -0.02 0.00 0.00 39.34 39.20 1jiq n TYR 274 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1jiq n SER 275 N -0.41 1.72 0.26 7.72 3.41 -0.39 -4.46 113.62 121.46 1jiq n SER 275 Ca 0.10 -1.36 0.17 0.00 -0.26 0.00 0.00 58.87 57.52 1jiq n SER 275 Cb 0.82 0.60 0.89 0.00 -0.26 0.00 0.00 64.21 66.26 1jiq n SER 275 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1jiq h LEU 276 N 1.76 0.00 0.00 1.04 8.10 -1.84 -0.66 115.31 123.71 1jiq h LEU 276 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jiq h LEU 276 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.88 1jiq h LEU 276 CO 0.00 0.00 -0.11 0.79 -4.11 0.00 0.00 178.44 175.01 1jiq n TRP 277 N -2.73 0.21 -2.04 0.17 7.02 -1.26 -3.19 117.44 115.61 1jiq n TRP 277 Ca -0.02 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.52 1jiq n TRP 277 Cb 0.10 -0.56 0.00 0.00 -2.42 0.00 0.00 31.31 28.43 1jiq n TRP 277 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1jiq n SER 278 N -1.68 0.00 -0.23 -0.99 3.41 -0.25 -4.75 113.62 109.12 1jiq n SER 278 Ca 0.06 -0.05 0.27 0.00 -0.26 0.00 0.00 58.87 58.89 1jiq n SER 278 Cb 0.36 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 64.97 1jiq n SER 278 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jiq h ALA 279 N -0.93 2.67 -0.16 7.33 0.00 -1.81 -0.23 119.26 126.14 1jiq h ALA 279 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1jiq h ALA 279 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jiq h ALA 279 CO 0.00 -0.97 0.26 0.82 0.00 0.00 0.00 179.25 179.36 1jiq h ILE 280 N 0.14 0.27 -0.07 0.00 1.08 -1.86 0.54 117.51 117.61 1jiq h ILE 280 Ca 0.48 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.95 1jiq h ILE 280 Cb 1.65 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.18 1jiq h ILE 280 CO -0.08 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.99 1jiq n GLY 281 N -1.33 -0.62 0.30 5.37 0.00 -0.10 -4.37 105.19 104.44 1jiq n GLY 281 Ca 0.01 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1jiq n GLY 281 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jiq h LEU 282 N 0.54 0.39 -1.72 0.99 5.85 -1.06 0.23 115.31 120.52 1jiq h LEU 282 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1jiq h LEU 282 Cb 0.12 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1jiq h LEU 282 CO 0.00 0.13 0.18 0.77 -0.34 0.00 0.00 178.44 179.18 1jiq h SER 283 N 0.50 0.32 0.04 1.25 4.64 -1.85 0.63 113.55 119.08 1jiq h SER 283 Ca 0.46 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1jiq h SER 283 Cb 0.73 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1jiq h SER 283 CO -0.42 0.23 -0.02 0.40 -0.87 0.00 0.00 176.83 176.16 1jiq h ILE 284 N 0.38 1.14 -0.94 0.95 2.04 -0.87 -1.80 117.51 118.40 1jiq h ILE 284 Ca 0.10 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.38 1jiq h ILE 284 Cb -0.04 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 1jiq h ILE 284 CO -0.02 0.15 0.61 0.00 0.00 0.00 0.00 178.15 178.88 1jiq h ALA 285 N 0.63 1.29 -0.81 1.87 0.00 -0.91 -1.13 119.26 120.20 1jiq h ALA 285 Ca -0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jiq h ALA 285 Cb 0.28 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1jiq h ALA 285 CO 0.01 0.64 0.48 -0.07 0.00 0.00 0.00 179.25 180.31 1jiq h LEU 286 N 1.29 0.99 0.02 0.00 3.38 -0.84 0.32 115.31 120.47 1jiq h LEU 286 Ca 0.34 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 1jiq h LEU 286 Cb -0.12 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.39 1jiq h LEU 286 CO -0.07 0.77 -0.26 -0.74 0.09 0.00 0.00 178.44 178.22 1jiq h HIS 287 N 1.12 0.23 -0.02 1.13 2.76 -0.66 -3.37 115.15 116.34 1jiq h HIS 287 Ca 0.29 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1jiq h HIS 287 Cb -0.03 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 28.91 1jiq h HIS 287 CO -0.00 1.00 -0.35 1.33 -1.30 0.00 0.00 177.93 178.60 1jiq n VAL 288 N -4.48 0.00 0.00 5.26 0.24 -0.49 -4.10 118.33 114.76 1jiq n VAL 288 Ca -0.10 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1jiq n VAL 288 Cb 0.54 1.27 0.00 0.00 -1.47 0.00 0.00 33.84 34.18 1jiq n VAL 288 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jiq n GLY 289 N 1.31 1.11 0.26 7.63 0.00 0.11 -4.34 105.19 111.28 1jiq n GLY 289 Ca 0.09 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.44 1jiq n GLY 289 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jiq h PHE 290 N 0.00 0.53 -0.30 1.61 3.57 -1.91 -1.77 116.94 118.67 1jiq h PHE 290 Ca 0.00 -0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.45 1jiq h PHE 290 Cb 0.00 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1jiq h PHE 290 CO 0.00 0.59 0.13 -0.44 -2.23 0.00 0.00 178.31 176.36 1jiq h ASP 291 N 0.47 0.17 -0.32 0.41 5.19 -1.92 0.16 116.42 120.58 1jiq h ASP 291 Ca 0.09 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 1jiq h ASP 291 Cb 0.46 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.94 1jiq h ASP 291 CO 0.02 0.14 -0.06 0.78 -3.12 0.00 0.00 179.24 177.00 1jiq h ASN 292 N 0.28 0.69 -0.88 6.45 -0.26 -1.69 -1.79 115.58 118.38 1jiq h ASN 292 Ca 0.13 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1jiq h ASN 292 Cb 0.07 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.10 1jiq h ASN 292 CO -0.11 0.80 0.57 0.15 -1.06 0.00 0.00 177.43 177.78 1jiq h PHE 293 N 0.66 1.13 -0.61 1.19 3.57 -0.74 -1.07 116.94 121.07 1jiq h PHE 293 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 1jiq h PHE 293 Cb 0.50 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1jiq h PHE 293 CO 0.02 0.73 0.21 0.93 -2.23 0.00 0.00 178.31 177.97 1jiq h GLU 294 N 1.20 0.92 -0.61 1.11 5.08 -0.21 -1.20 114.58 120.87 1jiq h GLU 294 Ca 0.32 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1jiq h GLU 294 Cb -0.10 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 1jiq h GLU 294 CO -0.07 0.77 0.17 1.96 -1.00 0.00 0.00 179.01 180.85 1jiq h GLN 295 N 0.89 0.97 -0.34 2.33 1.08 -0.83 0.19 115.11 119.40 1jiq h GLN 295 Ca 0.21 -0.22 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1jiq h GLN 295 Cb 0.23 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 1jiq h GLN 295 CO -0.01 0.87 0.07 1.25 -0.95 0.00 0.00 178.83 180.07 1jiq h LEU 296 N 0.89 0.03 -0.67 1.46 5.85 -0.79 0.19 115.31 122.26 1jiq h LEU 296 Ca 0.19 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1jiq h LEU 296 Cb 0.33 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1jiq h LEU 296 CO -0.00 0.05 0.30 -0.07 -0.34 0.00 0.00 178.44 178.38 1jiq h LEU 297 N 0.20 0.89 -1.25 2.25 3.38 -0.87 -2.59 115.31 117.31 1jiq h LEU 297 Ca 0.16 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1jiq h LEU 297 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1jiq h LEU 297 CO -0.20 0.79 0.10 0.28 0.09 0.00 0.00 178.44 179.50 1jiq h SER 298 N 0.93 0.56 -0.41 -0.43 0.02 0.17 -0.84 113.55 113.56 1jiq h SER 298 Ca 0.23 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1jiq h SER 298 Cb 0.15 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1jiq h SER 298 CO -0.02 0.57 -0.07 1.23 -1.14 0.00 0.00 176.83 177.39 1jiq h GLY 299 N 0.82 0.84 1.00 -3.77 0.00 -0.68 -0.60 103.07 100.69 1jiq h GLY 299 Ca 0.14 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1jiq h GLY 299 CO -0.00 0.62 0.32 0.00 0.00 0.00 0.00 176.54 177.48 1jiq h ALA 300 N 0.86 0.81 -0.86 3.60 0.00 -1.15 -1.59 119.26 120.92 1jiq h ALA 300 Ca 0.11 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1jiq h ALA 300 Cb 0.59 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1jiq h ALA 300 CO 0.04 0.35 0.57 1.25 0.00 0.00 0.00 179.25 181.46 1jiq h HIS 301 N 0.86 1.08 -0.22 0.00 6.17 -0.88 0.24 115.15 122.40 1jiq h HIS 301 Ca 0.22 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.34 1jiq h HIS 301 Cb 0.08 -0.37 -0.02 0.00 2.52 0.00 0.00 27.41 29.63 1jiq h HIS 301 CO -0.00 0.68 0.12 2.35 0.71 0.00 0.00 177.93 181.78 1jiq h TRP 302 N 1.16 0.22 -0.29 5.26 7.01 -0.73 -1.71 115.95 126.88 1jiq h TRP 302 Ca 0.32 0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.23 1jiq h TRP 302 Cb -0.12 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 1jiq h TRP 302 CO -0.01 0.13 -0.21 1.98 -2.79 0.00 0.00 178.44 177.54 1jiq h MET 303 N 0.25 0.55 -0.61 2.65 4.05 -0.38 -1.86 114.93 119.58 1jiq h MET 303 Ca 0.09 -0.20 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1jiq h MET 303 Cb 0.01 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.72 1jiq h MET 303 CO -0.05 0.73 0.34 -0.44 0.23 0.00 0.00 176.91 177.72 1jiq h ASP 304 N 0.49 0.52 -0.59 1.39 3.32 -0.17 -0.43 116.42 120.94 1jiq h ASP 304 Ca 0.08 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1jiq h ASP 304 Cb 0.64 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 1jiq h ASP 304 CO 0.05 0.35 0.04 1.56 -1.72 0.00 0.00 179.24 179.52 1jiq h GLN 305 N 0.65 1.02 -0.47 3.56 1.08 -0.91 -0.67 115.11 119.37 1jiq h GLN 305 Ca 0.26 -0.30 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 1jiq h GLN 305 Cb 0.12 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 1jiq h GLN 305 CO -0.15 0.99 0.19 1.25 -0.95 0.00 0.00 178.83 180.16 1jiq h HIS 306 N 0.92 0.34 -0.87 2.96 -0.00 -0.83 0.09 115.15 117.76 1jiq h HIS 306 Ca 0.17 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1jiq h HIS 306 Cb 0.50 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.78 1jiq h HIS 306 CO 0.04 0.14 0.49 0.35 -0.00 0.00 0.00 177.93 178.94 1jiq h PHE 307 N 0.38 1.18 -0.06 5.26 3.57 -0.76 -2.34 116.94 124.17 1jiq h PHE 307 Ca 0.22 -0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.51 1jiq h PHE 307 Cb 0.19 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1jiq h PHE 307 CO -0.14 0.81 -0.75 -0.09 -2.23 0.00 0.00 178.31 175.91 1jiq h ARG 308 N 1.21 0.35 -0.00 1.11 2.43 -0.29 -3.37 114.38 115.81 1jiq h ARG 308 Ca 0.31 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1jiq h ARG 308 Cb 0.01 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1jiq h ARG 308 CO -0.05 0.95 -0.56 0.25 -1.51 0.00 0.00 179.97 179.05 1jiq n THR 309 N -3.81 0.00 -3.13 0.20 -2.24 -0.06 -4.98 114.28 100.25 1jiq n THR 309 Ca -0.04 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.13 1jiq n THR 309 Cb 0.72 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.90 1jiq n THR 309 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1jiq s THR 310 N -2.12 5.00 0.29 4.28 2.01 -0.89 -5.02 115.64 119.20 1jiq s THR 310 Ca 0.05 1.32 -0.29 0.00 0.31 0.00 0.00 61.69 63.07 1jiq s THR 310 Cb 0.09 -3.98 -0.13 0.00 0.01 0.00 0.00 72.50 68.49 1jiq s THR 310 CO 0.49 0.32 1.22 -2.65 -0.69 0.00 0.00 174.62 173.32 1jiq n PRO 311 N 3.36 1.80 -0.30 4.92 -0.02 -1.26 -4.67 135.00 138.83 1jiq n PRO 311 Ca -0.04 0.64 0.14 0.00 -2.02 0.00 0.00 63.50 62.22 1jiq n PRO 311 Cb 0.51 -2.17 0.31 0.00 -0.02 0.00 0.00 33.50 32.14 1jiq n PRO 311 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1jiq h LEU 312 N 2.83 -0.02 -0.39 2.45 3.38 -1.95 -0.39 115.31 121.22 1jiq h LEU 312 Ca -0.44 0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jiq h LEU 312 Cb 1.30 0.29 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1jiq h LEU 312 CO 0.66 -0.19 0.00 -1.84 0.09 0.00 0.00 178.44 177.15 1jiq n GLU 313 N -5.25 0.06 -0.24 1.13 0.00 -1.26 -1.93 120.64 113.14 1jiq n GLU 313 Ca 0.23 0.44 0.04 0.00 0.00 0.00 0.00 57.16 57.86 1jiq n GLU 313 Cb 0.73 -1.65 0.05 0.00 0.00 0.00 0.00 31.44 30.57 1jiq n GLU 313 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1jiq n LYS 314 N -1.77 0.73 -3.17 3.44 4.76 -0.19 -5.02 118.16 116.94 1jiq n LYS 314 Ca 0.01 -1.54 -0.42 0.00 -2.87 0.00 0.00 58.31 53.49 1jiq n LYS 314 Cb 0.10 -0.90 -0.07 0.00 -1.84 0.00 0.00 35.03 32.32 1jiq n LYS 314 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1jiq s ASN 315 N -1.54 6.36 0.10 4.39 3.84 -0.81 -4.90 114.94 122.38 1jiq s ASN 315 Ca 0.11 -0.02 -0.34 0.00 0.21 0.00 0.00 52.86 52.82 1jiq s ASN 315 Cb 0.10 -2.30 -0.14 0.00 -0.55 0.00 0.00 41.25 38.36 1jiq s ASN 315 CO 0.01 -0.57 1.56 0.00 -2.79 0.00 0.00 177.10 175.31 1jiq h ALA 316 N 8.53 -0.96 -0.57 1.71 0.00 -1.91 0.22 119.26 126.28 1jiq h ALA 316 Ca -0.27 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jiq h ALA 316 Cb 1.11 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1jiq h ALA 316 CO 0.82 -1.11 0.38 -1.00 0.00 0.00 0.00 179.25 178.33 1jiq h PRO 317 N -0.76 0.70 -0.21 0.00 0.13 -1.94 -1.26 132.00 128.66 1jiq h PRO 317 Ca -0.00 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 1jiq h PRO 317 Cb 0.76 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1jiq h PRO 317 CO -0.26 0.46 0.01 0.28 -0.23 0.00 0.00 178.00 178.26 1jiq h VAL 318 N 0.72 1.25 -0.51 1.56 2.07 -1.70 -0.94 116.25 118.69 1jiq h VAL 318 Ca 0.22 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1jiq h VAL 318 Cb -0.01 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1jiq h VAL 318 CO -0.05 0.26 0.05 -0.07 0.02 0.00 0.00 177.57 177.78 1jiq h LEU 319 N 0.14 0.84 -0.77 2.57 3.38 -0.66 0.57 115.31 121.38 1jiq h LEU 319 Ca 0.06 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1jiq h LEU 319 Cb 0.38 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1jiq h LEU 319 CO 0.01 0.91 0.49 -0.07 0.09 0.00 0.00 178.44 179.87 1jiq h LEU 320 N 0.75 0.80 0.02 1.67 3.38 -1.20 -0.55 115.31 120.18 1jiq h LEU 320 Ca 0.15 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1jiq h LEU 320 Cb 0.45 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1jiq h LEU 320 CO 0.02 0.55 -0.01 0.00 0.09 0.00 0.00 178.44 179.09 1jiq h ALA 321 N 1.32 -0.03 -0.57 1.53 0.00 -0.77 -2.37 119.26 118.38 1jiq h ALA 321 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1jiq h ALA 321 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1jiq h ALA 321 CO -0.11 -0.51 0.37 -0.07 0.00 0.00 0.00 179.25 178.93 1jiq h LEU 322 N -0.04 0.66 -1.18 0.00 3.38 -0.51 -0.30 115.31 117.31 1jiq h LEU 322 Ca -0.00 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1jiq h LEU 322 Cb 0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1jiq h LEU 322 CO 0.00 0.48 0.56 -0.07 0.09 0.00 0.00 178.44 179.51 1jiq h LEU 323 N 0.77 0.89 -0.32 1.67 3.38 -1.07 -1.51 115.31 119.13 1jiq h LEU 323 Ca 0.21 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1jiq h LEU 323 Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1jiq h LEU 323 CO -0.04 0.60 0.12 1.23 0.09 0.00 0.00 178.44 180.44 1jiq h GLY 324 N 1.03 0.51 0.59 0.83 0.00 -0.73 -2.18 103.07 103.12 1jiq h GLY 324 Ca 0.35 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.46 1jiq h GLY 324 CO -0.12 0.27 0.23 -2.22 0.00 0.00 0.00 176.54 174.70 1jiq h ILE 325 N 0.36 0.87 -0.05 2.60 1.08 -0.56 0.65 117.51 122.46 1jiq h ILE 325 Ca 0.10 -0.15 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1jiq h ILE 325 Cb 0.20 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.31 1jiq h ILE 325 CO -0.01 0.08 -0.15 -0.25 -0.69 0.00 0.00 178.15 177.13 1jiq h TRP 326 N 0.43 -0.38 -0.31 1.37 -0.00 -1.14 0.46 115.95 116.38 1jiq h TRP 326 Ca 0.25 0.02 -0.10 0.00 -0.00 0.00 0.00 58.89 59.06 1jiq h TRP 326 Cb 0.23 0.18 -0.01 0.00 -0.00 0.00 0.00 29.16 29.55 1jiq h TRP 326 CO -0.14 -0.22 -0.21 1.88 -0.00 0.00 0.00 178.44 179.76 1jiq h TYR 327 N -0.22 0.65 0.00 2.65 0.05 -1.10 -1.44 116.97 117.56 1jiq h TYR 327 Ca 0.07 -0.13 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1jiq h TYR 327 Cb 0.31 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 37.89 1jiq h TYR 327 CO -0.23 0.75 -0.02 0.82 -1.05 0.00 0.00 178.16 178.43 1jiq h ILE 328 N 0.52 1.64 0.00 -2.88 2.04 -0.57 0.19 117.51 118.45 1jiq h ILE 328 Ca 0.08 -2.24 0.00 0.00 1.00 0.00 0.00 64.86 63.70 1jiq h ILE 328 Cb 0.64 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.84 1jiq h ILE 328 CO 0.05 0.56 -0.99 0.78 0.00 0.00 0.00 178.15 178.54 1jiq h ASN 329 N -1.00 0.00 0.00 1.72 -0.26 -0.21 -3.00 115.58 112.84 1jiq h ASN 329 Ca -0.01 -0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.58 1jiq h ASN 329 Cb 0.93 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.17 1jiq h ASN 329 CO -0.00 0.00 -1.35 0.00 -1.06 0.00 0.00 177.43 175.02 1jiq h PHE 331 N -0.72 0.00 -0.18 0.00 -1.00 -1.17 -3.48 116.94 110.39 1jiq h PHE 331 Ca -0.23 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.51 1jiq h PHE 331 Cb 1.04 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 1jiq h PHE 331 CO -0.20 0.00 -0.05 0.41 -1.61 0.00 0.00 178.31 176.86 1jiq n GLY 332 N 0.90 0.46 3.69 -1.45 0.00 0.50 -4.96 105.19 104.33 1jiq n GLY 332 Ca 0.04 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1jiq n GLY 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jiq h GLU 334 N 7.83 0.00 -5.46 0.00 5.08 -1.90 -3.40 114.58 116.72 1jiq h GLU 334 Ca -0.39 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.47 1jiq h GLU 334 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.30 1jiq h GLU 334 CO 0.90 0.52 -0.66 0.95 -1.00 0.00 0.00 179.01 179.73 1jiq s THR 335 N -3.29 1.58 -0.10 1.13 -4.23 -1.26 -0.65 115.64 108.82 1jiq s THR 335 Ca 0.01 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1jiq s THR 335 Cb 0.10 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 71.44 1jiq s THR 335 CO 0.73 -0.23 0.09 -2.28 -0.54 0.00 0.00 174.62 172.39 1jiq s HIS 336 N -3.05 0.06 -0.12 3.99 2.46 -0.24 -4.25 115.29 114.14 1jiq s HIS 336 Ca 0.31 0.11 -0.15 0.00 0.47 0.00 0.00 55.06 55.80 1jiq s HIS 336 Cb 0.05 -0.52 -0.05 0.00 -0.13 0.00 0.00 32.58 31.94 1jiq s HIS 336 CO 0.13 -0.33 0.37 0.00 -2.47 0.00 0.00 174.74 172.44 1jiq s ALA 337 N 2.18 3.57 -0.24 1.58 0.00 -0.61 -2.31 121.76 125.94 1jiq s ALA 337 Ca 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1jiq s ALA 337 Cb -0.14 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.53 1jiq s ALA 337 CO -0.06 0.13 -0.04 -1.64 0.00 0.00 0.00 175.76 174.15 1jiq s MET 338 N 0.26 3.12 -0.56 0.00 -1.94 0.25 -0.67 119.30 119.76 1jiq s MET 338 Ca 0.21 -0.80 0.05 0.00 -1.71 0.00 0.00 55.69 53.44 1jiq s MET 338 Cb -0.14 -3.04 0.18 0.00 2.01 0.00 0.00 34.83 33.84 1jiq s MET 338 CO 0.07 -0.31 0.44 1.28 -0.01 0.00 0.00 175.02 176.50 1jiq n LEU 339 N 4.75 1.44 -4.69 -0.03 4.77 0.51 -4.02 117.00 119.74 1jiq n LEU 339 Ca -0.17 -4.84 -0.42 0.00 -0.03 0.00 0.00 56.01 50.54 1jiq n LEU 339 Cb 0.49 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1jiq n LEU 339 CO 0.28 1.83 0.90 -2.16 -1.33 0.00 0.00 177.39 176.91 1jiq s PRO 340 N -0.86 4.38 -1.35 3.23 0.04 -1.26 -2.33 135.00 136.85 1jiq s PRO 340 Ca 0.30 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 1jiq s PRO 340 Cb 0.01 -3.55 0.12 0.00 0.04 0.00 0.00 34.50 31.12 1jiq s PRO 340 CO -0.17 -0.40 2.01 0.66 0.04 0.00 0.00 177.00 179.14 1jiq n TYR 341 N 5.11 3.19 -3.22 0.56 4.02 0.17 -1.07 117.16 125.92 1jiq n TYR 341 Ca 0.10 -2.86 0.04 0.00 -0.01 0.00 0.00 57.90 55.17 1jiq n TYR 341 Cb 0.47 -2.19 -0.02 0.00 -0.02 0.00 0.00 39.34 37.58 1jiq n TYR 341 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1jiq s ASP 342 N 1.79 -0.71 0.36 7.72 2.15 -1.21 -4.69 116.67 122.08 1jiq s ASP 342 Ca 0.43 0.56 0.07 0.00 0.43 0.00 0.00 52.55 54.04 1jiq s ASP 342 Cb 0.11 1.64 0.67 0.00 -0.30 0.00 0.00 42.92 45.05 1jiq s ASP 342 CO -0.03 -0.13 1.87 -0.61 -0.17 0.00 0.00 175.17 176.09 1jiq h GLN 343 N 7.88 0.33 -0.15 4.34 5.75 -1.85 -1.87 115.11 129.55 1jiq h GLN 343 Ca -0.16 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.22 1jiq h GLN 343 Cb 1.16 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 1jiq h GLN 343 CO 0.03 0.47 -0.04 1.88 -2.65 0.00 0.00 178.83 178.52 1jiq h TYR 344 N 0.31 0.21 -0.20 3.99 0.99 -1.91 -1.21 116.97 119.16 1jiq h TYR 344 Ca 0.06 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.71 1jiq h TYR 344 Cb 0.43 -0.07 -0.04 0.00 1.00 0.00 0.00 36.73 38.06 1jiq h TYR 344 CO 0.01 0.26 0.08 1.28 -0.00 0.00 0.00 178.16 179.79 1jiq n LEU 345 N -4.37 3.06 0.32 3.88 4.77 -0.71 -2.99 117.00 120.96 1jiq n LEU 345 Ca -0.01 -1.56 0.22 0.00 -0.03 0.00 0.00 56.01 54.63 1jiq n LEU 345 Cb 0.19 -0.57 1.14 0.00 -2.33 0.00 0.00 43.42 41.86 1jiq n LEU 345 CO 0.36 0.49 1.15 1.12 -1.33 0.00 0.00 177.39 179.18 1jiq h HIS 346 N 0.62 0.00 -0.31 -1.77 2.07 -1.26 -2.15 115.15 112.36 1jiq h HIS 346 Ca 0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 1jiq h HIS 346 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 1jiq h HIS 346 CO 0.34 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.74 1jiq n ARG 347 N -3.00 2.89 -0.01 5.12 5.12 -1.26 -4.66 116.66 120.85 1jiq n ARG 347 Ca -0.03 -2.32 -0.12 0.00 -1.93 0.00 0.00 57.85 53.45 1jiq n ARG 347 Cb 0.08 -1.47 -0.08 0.00 -1.16 0.00 0.00 32.46 29.83 1jiq n ARG 347 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1jiq h PHE 348 N 1.89 0.11 -0.67 -1.55 3.57 -1.73 -1.37 116.94 117.19 1jiq h PHE 348 Ca 0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1jiq h PHE 348 Cb 0.98 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1jiq h PHE 348 CO 0.32 0.36 0.39 0.00 -2.23 0.00 0.00 178.31 177.15 1jiq h ALA 349 N 0.73 0.86 -0.76 2.41 0.00 -1.83 -2.21 119.26 118.46 1jiq h ALA 349 Ca 0.02 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jiq h ALA 349 Cb 0.32 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1jiq h ALA 349 CO 0.00 0.35 0.47 0.00 0.00 0.00 0.00 179.25 180.07 1jiq h ALA 350 N 1.20 1.40 -0.38 0.00 0.00 -1.83 -1.66 119.26 117.98 1jiq h ALA 350 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jiq h ALA 350 Cb -0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1jiq h ALA 350 CO -0.04 0.53 0.25 -0.92 0.00 0.00 0.00 179.25 179.07 1jiq h TYR 351 N 1.04 0.48 0.00 0.00 3.20 -0.78 -2.70 116.97 118.21 1jiq h TYR 351 Ca 0.27 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1jiq h TYR 351 Cb -0.06 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1jiq h TYR 351 CO 0.00 0.31 0.00 1.19 -1.64 0.00 0.00 178.16 178.02 1jiq n PHE 352 N -4.82 0.56 -0.19 -3.82 3.01 -0.88 -1.85 117.46 109.48 1jiq n PHE 352 Ca 0.00 0.19 -0.05 0.00 1.01 0.00 0.00 57.45 58.59 1jiq n PHE 352 Cb 0.03 -0.80 0.04 0.00 -0.01 0.00 0.00 39.48 38.74 1jiq n PHE 352 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1jiq h GLN 353 N 0.00 0.67 0.03 -1.08 4.20 -0.97 0.46 115.11 118.42 1jiq h GLN 353 Ca 0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1jiq h GLN 353 Cb 0.51 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1jiq h GLN 353 CO 0.00 0.44 -0.02 0.37 -0.67 0.00 0.00 178.83 178.96 1jiq h GLN 354 N 0.69 -0.04 -0.53 1.46 4.15 -1.54 -1.51 115.11 117.79 1jiq h GLN 354 Ca 0.22 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.73 1jiq h GLN 354 Cb -0.01 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.63 1jiq h GLN 354 CO -0.08 0.59 0.15 0.78 -1.93 0.00 0.00 178.83 178.33 1jiq h GLY 355 N -0.73 0.68 0.00 2.39 0.00 -1.22 -0.22 103.07 103.97 1jiq h GLY 355 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1jiq h GLY 355 CO 0.01 -0.04 -0.17 -1.80 0.00 0.00 0.00 176.54 174.53 1jiq h ASP 356 N 0.30 0.00 -0.55 0.19 1.82 -0.22 -3.28 116.42 114.69 1jiq h ASP 356 Ca 0.26 -0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.84 1jiq h ASP 356 Cb 0.33 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1jiq h ASP 356 CO -0.31 0.59 0.14 0.24 -1.61 0.00 0.00 179.24 178.30 1jiq h MET 357 N -1.00 0.92 0.00 0.28 2.86 -1.29 -0.33 114.93 116.37 1jiq h MET 357 Ca -0.00 -0.20 -0.11 0.00 -2.06 0.00 0.00 59.70 57.33 1jiq h MET 357 Cb 0.18 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1jiq h MET 357 CO -0.00 0.82 -0.53 1.49 1.06 0.00 0.00 176.91 179.75 1jiq h GLU 358 N 0.88 0.00 -0.05 1.72 4.81 -1.11 -1.08 114.58 119.76 1jiq h GLU 358 Ca 0.19 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1jiq h GLU 358 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1jiq h GLU 358 CO -0.00 0.53 -0.16 0.77 -0.73 0.00 0.00 179.01 179.42 1jiq h SER 359 N 0.00 0.22 -0.20 1.04 0.02 -1.47 -3.40 113.55 109.77 1jiq h SER 359 Ca -0.01 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 1jiq h SER 359 Cb 1.14 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1jiq h SER 359 CO 0.07 0.81 0.00 0.59 -1.14 0.00 0.00 176.83 177.16 1jiq n ASN 360 N -4.60 2.46 -4.16 3.07 5.03 -0.19 -4.02 115.26 112.85 1jiq n ASN 360 Ca -0.08 -1.84 -0.43 0.00 0.87 0.00 0.00 54.58 53.10 1jiq n ASN 360 Cb 0.40 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 1jiq n ASN 360 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jiq n GLY 361 N 0.33 3.79 3.15 7.41 0.00 -0.41 -1.20 105.19 118.26 1jiq n GLY 361 Ca 0.08 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1jiq n GLY 361 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jiq s LYS 362 N 2.31 0.79 0.00 1.61 -0.14 -1.26 -4.96 119.74 118.09 1jiq s LYS 362 Ca 0.46 -1.29 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 1jiq s LYS 362 Cb 0.06 -0.15 0.00 0.00 -1.68 0.00 0.00 37.83 36.07 1jiq s LYS 362 CO 0.00 -0.03 0.02 2.48 -0.76 0.00 0.00 175.35 177.06 1jiq n TYR 363 N 0.05 0.00 -4.50 3.18 0.18 -1.26 -4.73 117.16 110.08 1jiq n TYR 363 Ca -0.13 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.32 1jiq n TYR 363 Cb 0.61 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 39.44 1jiq n TYR 363 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1jiq s ILE 364 N -0.01 3.61 0.88 -3.48 -1.09 -1.26 -0.80 121.20 119.05 1jiq s ILE 364 Ca 0.00 -0.46 -0.10 0.00 -2.23 0.00 0.00 60.65 57.86 1jiq s ILE 364 Cb 0.00 -2.57 0.18 0.00 -1.58 0.00 0.00 42.46 38.49 1jiq s ILE 364 CO 0.00 0.50 1.20 0.42 -1.23 0.00 0.00 174.94 175.83 1jiq s THR 365 N 0.41 2.03 0.44 2.92 -4.23 -0.15 -4.53 115.64 112.54 1jiq s THR 365 Ca -0.06 -0.24 0.13 0.00 -1.18 0.00 0.00 61.69 60.34 1jiq s THR 365 Cb -0.15 -2.79 0.19 0.00 1.34 0.00 0.00 72.50 71.10 1jiq s THR 365 CO 0.04 0.00 2.00 0.50 -0.54 0.00 0.00 174.62 176.62 1jiq h LYS 366 N -1.23 0.06 0.00 3.99 3.64 -1.55 -1.23 116.57 120.25 1jiq h LYS 366 Ca -0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1jiq h LYS 366 Cb 1.24 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1jiq h LYS 366 CO 0.37 0.20 -0.02 -1.13 -2.27 0.00 0.00 179.45 176.60 1jiq n SER 367 N -4.35 0.33 0.00 4.20 3.41 -1.26 -4.88 113.62 111.07 1jiq n SER 367 Ca -0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1jiq n SER 367 Cb 0.22 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1jiq n SER 367 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jiq n GLY 368 N 1.43 0.24 3.75 5.00 0.00 -0.47 -5.06 105.19 110.08 1jiq n GLY 368 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1jiq n GLY 368 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jiq s THR 369 N -2.00 3.43 0.29 2.61 2.01 -1.26 -4.68 115.64 116.04 1jiq s THR 369 Ca 0.00 1.35 -0.29 0.00 0.31 0.00 0.00 61.69 63.05 1jiq s THR 369 Cb 0.00 -3.86 -0.10 0.00 0.01 0.00 0.00 72.50 68.55 1jiq s THR 369 CO 0.00 0.28 1.19 -0.60 -0.69 0.00 0.00 174.62 174.80 1jiq s ARG 370 N -1.07 4.52 0.35 4.92 3.52 -1.26 -0.98 118.95 128.95 1jiq s ARG 370 Ca 0.48 1.97 -0.28 0.00 -0.13 0.00 0.00 55.73 57.77 1jiq s ARG 370 Cb -0.33 -3.15 -0.12 0.00 -1.56 0.00 0.00 34.95 29.80 1jiq s ARG 370 CO 0.41 0.03 1.42 1.55 -0.81 0.00 0.00 175.30 177.90 1jiq n VAL 371 N 1.14 1.82 -1.78 7.11 3.14 0.02 -4.56 118.33 125.22 1jiq n VAL 371 Ca -0.00 -0.46 -0.09 0.00 -2.96 0.00 0.00 64.34 60.84 1jiq n VAL 371 Cb 0.44 -1.79 0.12 0.00 -1.06 0.00 0.00 33.84 31.54 1jiq n VAL 371 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1jiq n ASP 372 N 0.87 3.28 -3.94 6.55 5.75 -1.26 -5.00 116.55 122.80 1jiq n ASP 372 Ca 0.04 -3.83 -0.09 0.00 -0.01 0.00 0.00 54.79 50.90 1jiq n ASP 372 Cb 0.37 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 39.96 1jiq n ASP 372 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1jiq s HIS 373 N -3.41 0.19 0.52 2.11 -3.43 -1.26 -4.98 115.29 105.03 1jiq s HIS 373 Ca 0.45 -0.57 -0.20 0.00 -0.80 0.00 0.00 55.06 53.93 1jiq s HIS 373 Cb 0.39 0.32 -0.06 0.00 -1.43 0.00 0.00 32.58 31.80 1jiq s HIS 373 CO -0.02 -1.04 1.14 -0.65 -2.00 0.00 0.00 174.74 172.17 1jiq s GLN 374 N -3.98 3.45 0.00 -0.38 -1.52 -1.26 -5.06 119.66 110.91 1jiq s GLN 374 Ca 0.18 1.64 0.00 0.00 -1.95 0.00 0.00 55.36 55.24 1jiq s GLN 374 Cb -0.02 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.68 1jiq s GLN 374 CO 0.07 -0.77 0.00 0.25 -0.25 0.00 0.00 175.29 174.59 1jiq n THR 375 N -1.11 0.00 -1.58 -0.19 -2.24 -1.26 -4.90 114.28 103.00 1jiq n THR 375 Ca 0.11 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.46 1jiq n THR 375 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1jiq n THR 375 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jiq n GLY 376 N 5.00 -0.39 3.92 3.38 0.00 -0.34 -5.00 105.19 111.76 1jiq n GLY 376 Ca 0.00 0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1jiq n GLY 376 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jiq s PRO 377 N -1.83 2.49 -0.32 1.61 0.04 -1.26 -4.82 135.00 130.91 1jiq s PRO 377 Ca 0.62 -0.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.27 1jiq s PRO 377 Cb -0.60 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 31.75 1jiq s PRO 377 CO 0.58 -1.04 0.95 0.42 0.04 0.00 0.00 177.00 177.95 1jiq s ILE 378 N -3.16 4.63 -0.04 0.56 1.01 0.18 -4.68 121.20 119.70 1jiq s ILE 378 Ca 0.58 1.46 -0.16 0.00 0.00 0.00 0.00 60.65 62.53 1jiq s ILE 378 Cb -0.11 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1jiq s ILE 378 CO 0.45 -0.40 0.42 -0.69 0.00 0.00 0.00 174.94 174.72 1jiq s VAL 379 N 3.36 5.07 0.28 2.92 1.01 -1.26 -1.08 120.40 130.71 1jiq s VAL 379 Ca 0.40 0.86 -0.20 0.00 0.00 0.00 0.00 61.98 63.03 1jiq s VAL 379 Cb -0.13 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1jiq s VAL 379 CO 0.15 0.51 0.69 -1.66 0.00 0.00 0.00 175.10 174.78 1jiq s TRP 380 N -0.58 -0.11 0.00 5.22 1.48 -0.98 -4.76 118.94 119.22 1jiq s TRP 380 Ca 0.24 -0.34 0.00 0.00 -1.06 0.00 0.00 56.10 54.94 1jiq s TRP 380 Cb -0.16 0.65 0.00 0.00 -1.16 0.00 0.00 33.47 32.80 1jiq s TRP 380 CO 0.12 -1.22 0.00 0.41 -4.06 0.00 0.00 176.95 172.20 1jiq n GLY 381 N -0.45 2.90 3.11 3.67 0.00 -1.26 -0.58 105.19 112.57 1jiq n GLY 381 Ca -0.04 -1.38 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 1jiq n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jiq s GLU 382 N -2.11 0.66 0.54 1.61 0.41 -1.26 -4.80 118.70 113.76 1jiq s GLU 382 Ca 0.00 -1.05 -0.21 0.00 -0.41 0.00 0.00 54.97 53.30 1jiq s GLU 382 Cb 0.00 -0.17 -0.05 0.00 -1.78 0.00 0.00 34.13 32.13 1jiq s GLU 382 CO 0.00 -0.00 1.25 -1.25 -0.49 0.00 0.00 175.26 174.76 1jiq s PRO 383 N -2.82 3.22 0.35 0.39 0.04 -1.26 -4.32 135.00 130.60 1jiq s PRO 383 Ca 0.01 1.95 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 1jiq s PRO 383 Cb -0.01 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1jiq s PRO 383 CO -0.03 -1.04 0.84 0.20 0.04 0.00 0.00 177.00 177.02 1jiq s GLY 384 N -1.32 2.47 0.00 0.56 0.00 -0.24 -0.91 107.32 107.88 1jiq s GLY 384 Ca 0.72 0.27 0.16 0.00 0.00 0.00 0.00 44.72 45.87 1jiq s GLY 384 CO 0.38 0.56 1.42 -1.30 0.00 0.00 0.00 173.10 174.17 1jiq n THR 385 N -0.15 0.32 0.21 0.90 -2.24 -1.26 -3.32 114.28 108.75 1jiq n THR 385 Ca 0.04 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 1jiq n THR 385 Cb 0.53 0.31 -0.08 0.00 -2.10 0.00 0.00 70.33 68.98 1jiq n THR 385 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1jiq h ASN 386 N 2.13 -1.08 0.07 3.42 -0.26 -1.61 -2.22 115.58 116.04 1jiq h ASN 386 Ca 0.00 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1jiq h ASN 386 Cb 0.48 0.37 -0.00 0.00 -1.06 0.00 0.00 38.32 38.11 1jiq h ASN 386 CO 0.00 -0.52 -0.07 1.23 -1.06 0.00 0.00 177.43 177.01 1jiq h GLY 387 N -0.77 0.00 1.60 2.83 0.00 -1.22 -1.67 103.07 103.85 1jiq h GLY 387 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1jiq h GLY 387 CO -0.10 0.00 0.05 -1.61 0.00 0.00 0.00 176.54 174.88 1jiq h GLN 388 N 0.00 0.51 -0.38 4.80 4.15 -1.65 -1.66 115.11 120.89 1jiq h GLN 388 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1jiq h GLN 388 Cb 0.12 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1jiq h GLN 388 CO 0.01 0.50 0.00 0.72 -1.93 0.00 0.00 178.83 178.13 1jiq n HIS 389 N -4.32 0.49 -0.02 3.99 8.25 -0.65 -3.97 115.22 118.99 1jiq n HIS 389 Ca 0.02 -0.25 -0.04 0.00 -0.26 0.00 0.00 57.72 57.20 1jiq n HIS 389 Cb 0.21 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.31 1jiq n HIS 389 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jiq n ALA 390 N 0.95 1.46 -0.01 -1.41 0.00 -0.69 -4.95 120.51 115.86 1jiq n ALA 390 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1jiq n ALA 390 Cb 0.46 0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1jiq n ALA 390 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1jiq n PHE 391 N -3.51 0.00 0.26 0.00 1.16 -0.81 -4.70 117.46 109.86 1jiq n PHE 391 Ca -0.06 -0.20 0.10 0.00 -1.87 0.00 0.00 57.45 55.42 1jiq n PHE 391 Cb 0.21 -0.02 0.70 0.00 -1.61 0.00 0.00 39.48 38.75 1jiq n PHE 391 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1jiq h TYR 392 N 0.00 0.00 -0.84 2.97 -1.99 -1.69 -2.16 116.97 113.27 1jiq h TYR 392 Ca 0.00 0.00 0.21 0.00 2.00 0.00 0.00 58.73 60.94 1jiq h TYR 392 Cb 0.21 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.80 1jiq h TYR 392 CO 0.00 0.05 0.15 0.37 -0.00 0.00 0.00 178.16 178.73 1jiq h GLN 393 N 0.00 0.17 -0.10 4.88 5.75 -1.84 0.12 115.11 124.08 1jiq h GLN 393 Ca -0.00 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.32 1jiq h GLN 393 Cb 0.09 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1jiq h GLN 393 CO 0.01 0.11 -0.67 1.25 -2.65 0.00 0.00 178.83 176.88 1jiq h LEU 394 N 0.17 0.49 -0.55 -2.39 6.46 -1.75 0.13 115.31 117.87 1jiq h LEU 394 Ca 0.50 -0.30 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1jiq h LEU 394 Cb 0.96 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 1jiq h LEU 394 CO -0.66 1.02 0.12 0.40 -0.62 0.00 0.00 178.44 178.70 1jiq h ILE 395 N 0.30 1.25 0.12 4.05 2.04 -1.04 0.11 117.51 124.34 1jiq h ILE 395 Ca -0.02 -0.91 -0.28 0.00 1.00 0.00 0.00 64.86 64.65 1jiq h ILE 395 Cb 1.22 0.78 0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1jiq h ILE 395 CO 0.12 0.33 -1.17 0.45 0.00 0.00 0.00 178.15 177.88 1jiq h HIS 396 N 0.79 0.95 0.00 1.37 3.86 -0.71 -3.40 115.15 118.01 1jiq h HIS 396 Ca 0.17 -0.60 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1jiq h HIS 396 Cb 0.37 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1jiq h HIS 396 CO 0.03 1.44 -0.16 1.04 0.86 0.00 0.00 177.93 181.14 1jiq n GLN 397 N -3.86 0.96 -0.16 2.45 6.02 0.44 -4.60 117.38 118.64 1jiq n GLN 397 Ca -0.14 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.10 1jiq n GLN 397 Cb 0.95 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 31.19 1jiq n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jiq n GLY 398 N -0.73 0.12 0.45 1.08 0.00 0.39 -4.93 105.19 101.56 1jiq n GLY 398 Ca 0.07 -1.81 0.06 0.00 0.00 0.00 0.00 46.02 44.35 1jiq n GLY 398 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jiq n THR 399 N -0.73 1.60 -4.97 2.61 -2.24 -1.26 -4.99 114.28 104.29 1jiq n THR 399 Ca 0.00 -1.56 -0.32 0.00 -2.27 0.00 0.00 64.05 59.90 1jiq n THR 399 Cb 0.00 0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.19 1jiq n THR 399 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jiq s LYS 400 N -1.99 2.34 -0.11 -0.78 3.01 -1.26 -5.11 119.74 115.84 1jiq s LYS 400 Ca 0.26 -0.79 -0.23 0.00 -1.01 0.00 0.00 55.97 54.20 1jiq s LYS 400 Cb 0.20 -2.27 -0.03 0.00 -1.01 0.00 0.00 37.83 34.72 1jiq s LYS 400 CO 0.07 0.60 0.68 1.41 0.51 0.00 0.00 175.35 178.62 1jiq s MET 401 N -0.79 4.36 -0.32 1.68 -2.45 -1.26 -4.94 119.30 115.58 1jiq s MET 401 Ca 0.11 0.80 -0.01 0.00 -1.25 0.00 0.00 55.69 55.34 1jiq s MET 401 Cb -0.10 -3.49 0.11 0.00 1.25 0.00 0.00 34.83 32.59 1jiq s MET 401 CO 0.01 -0.04 0.13 0.42 1.05 0.00 0.00 175.02 176.58 1jiq s ILE 402 N 1.20 0.71 0.20 10.11 1.01 -1.26 -4.72 121.20 128.45 1jiq s ILE 402 Ca 0.35 -1.42 -0.32 0.00 0.00 0.00 0.00 60.65 59.25 1jiq s ILE 402 Cb -0.17 -1.54 -0.12 0.00 0.01 0.00 0.00 42.46 40.64 1jiq s ILE 402 CO 0.15 -0.73 1.69 -2.65 0.00 0.00 0.00 174.94 173.40 1jiq n PRO 403 N 4.73 2.66 -4.93 2.79 -0.02 -1.26 -4.81 135.00 134.16 1jiq n PRO 403 Ca -0.01 0.96 -0.28 0.00 -2.02 0.00 0.00 63.50 62.16 1jiq n PRO 403 Cb 0.41 -2.79 -0.16 0.00 -0.02 0.00 0.00 33.50 30.94 1jiq n PRO 403 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jiq s ASP 405 N 0.11 6.14 -0.20 0.00 1.01 0.16 -0.90 116.67 122.98 1jiq s ASP 405 Ca -0.07 -0.12 -0.10 0.00 0.71 0.00 0.00 52.55 52.98 1jiq s ASP 405 Cb -0.13 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.58 1jiq s ASP 405 CO 0.03 -0.23 0.14 -0.36 0.21 0.00 0.00 175.17 174.97 1jiq s PHE 406 N 1.92 3.40 0.04 4.23 0.40 0.11 -0.36 117.98 127.73 1jiq s PHE 406 Ca 0.10 0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.81 1jiq s PHE 406 Cb -0.16 -2.18 -0.02 0.00 0.51 0.00 0.00 43.02 41.17 1jiq s PHE 406 CO 0.11 0.27 -0.14 -0.51 0.70 0.00 0.00 175.22 175.64 1jiq s LEU 407 N 0.43 2.18 -0.25 -0.37 1.02 -0.98 -0.37 118.68 120.35 1jiq s LEU 407 Ca 0.08 -0.47 -0.26 0.00 0.02 0.00 0.00 54.13 53.50 1jiq s LEU 407 Cb -0.11 -0.59 0.09 0.00 0.02 0.00 0.00 46.19 45.60 1jiq s LEU 407 CO -0.01 0.02 0.85 -0.51 0.02 0.00 0.00 176.35 176.72 1jiq s ILE 408 N -0.89 0.00 0.17 -0.59 2.07 -0.72 0.45 121.20 121.69 1jiq s ILE 408 Ca 0.01 0.00 -0.25 0.00 -1.41 0.00 0.00 60.65 59.00 1jiq s ILE 408 Cb -0.08 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.43 1jiq s ILE 408 CO 0.01 0.00 0.78 -2.16 -1.91 0.00 0.00 174.94 171.67 1jiq s PRO 409 N 0.08 4.56 0.13 3.50 0.04 -1.26 -2.03 135.00 140.02 1jiq s PRO 409 Ca 0.00 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.05 1jiq s PRO 409 Cb -0.04 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1jiq s PRO 409 CO -0.01 0.56 1.57 0.28 0.04 0.00 0.00 177.00 179.44 1jiq h VAL 410 N 3.28 1.26 -3.24 -0.36 2.07 -0.09 -3.42 116.25 115.75 1jiq h VAL 410 Ca -0.47 -1.03 -0.63 0.00 0.82 0.00 0.00 66.70 65.39 1jiq h VAL 410 Cb 1.21 1.12 -0.16 0.00 -1.52 0.00 0.00 31.29 31.94 1jiq h VAL 410 CO 0.66 0.35 -0.57 -1.10 0.02 0.00 0.00 177.57 176.93 1jiq s GLN 411 N -4.99 3.79 0.27 1.57 -0.21 0.41 -5.03 119.66 115.49 1jiq s GLN 411 Ca -0.13 -0.35 -0.08 0.00 0.02 0.00 0.00 55.36 54.82 1jiq s GLN 411 Cb 0.10 -3.13 -0.06 0.00 1.00 0.00 0.00 33.01 30.91 1jiq s GLN 411 CO 0.80 0.36 0.59 -0.08 -2.12 0.00 0.00 175.29 174.83 1jiq s THR 412 N 0.11 4.93 -0.62 -0.19 -1.32 -1.26 -4.43 115.64 112.86 1jiq s THR 412 Ca 0.04 0.37 0.25 0.00 -1.21 0.00 0.00 61.69 61.15 1jiq s THR 412 Cb -0.12 -3.67 0.28 0.00 -1.51 0.00 0.00 72.50 67.47 1jiq s THR 412 CO 0.01 -0.21 1.75 0.00 -2.21 0.00 0.00 174.62 173.96 1jiq n GLN 413 N -0.55 0.25 -3.52 7.08 1.13 -1.26 -4.28 117.38 116.22 1jiq n GLN 413 Ca 0.00 0.30 -0.28 0.00 -1.94 0.00 0.00 57.00 55.09 1jiq n GLN 413 Cb 0.53 -1.84 -0.11 0.00 0.11 0.00 0.00 30.24 28.93 1jiq n GLN 413 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1jiq s HIS 414 N -3.19 1.60 -0.72 1.08 3.76 -1.26 -5.01 115.29 111.55 1jiq s HIS 414 Ca 0.08 -2.46 -0.08 0.00 -0.15 0.00 0.00 55.06 52.45 1jiq s HIS 414 Cb 0.11 -1.34 -0.17 0.00 1.11 0.00 0.00 32.58 32.29 1jiq s HIS 414 CO 0.52 -0.77 3.29 -0.35 -0.85 0.00 0.00 174.74 176.58 1jiq n PRO 415 N 2.84 2.79 -1.11 8.40 -0.04 -1.26 -4.90 135.00 141.72 1jiq n PRO 415 Ca 0.25 -1.62 -0.31 0.00 -0.04 0.00 0.00 63.50 61.78 1jiq n PRO 415 Cb 0.43 -2.35 0.12 0.00 -0.04 0.00 0.00 33.50 31.67 1jiq n PRO 415 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1jiq s ILE 416 N 1.28 2.88 -1.51 0.52 -4.36 -1.26 -3.26 121.20 115.49 1jiq s ILE 416 Ca 0.67 0.29 -0.12 0.00 -0.26 0.00 0.00 60.65 61.24 1jiq s ILE 416 Cb 0.26 -2.66 0.07 0.00 1.25 0.00 0.00 42.46 41.39 1jiq s ILE 416 CO -0.04 -0.37 0.91 0.54 0.24 0.00 0.00 174.94 176.22 1jiq n ARG 417 N -3.80 -5.24 -2.70 0.37 5.12 -1.26 -1.11 116.66 108.05 1jiq n ARG 417 Ca 0.09 0.58 -0.17 0.00 -1.93 0.00 0.00 57.85 56.43 1jiq n ARG 417 Cb 0.53 -5.39 -0.00 0.00 -1.16 0.00 0.00 32.46 26.44 1jiq n ARG 417 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1jiq n LYS 418 N -4.60 -2.73 -0.55 5.56 5.02 -1.24 -1.56 118.16 118.06 1jiq n LYS 418 Ca -0.02 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1jiq n LYS 418 Cb 0.55 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 30.26 1jiq n LYS 418 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jiq n GLY 419 N -0.98 0.73 0.22 0.72 0.00 -0.26 -4.98 105.19 100.63 1jiq n GLY 419 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1jiq n GLY 419 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jiq h LEU 420 N 0.00 0.66 -0.30 0.99 5.85 -1.27 -1.76 115.31 119.47 1jiq h LEU 420 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1jiq h LEU 420 Cb 0.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1jiq h LEU 420 CO 0.00 0.61 0.19 0.45 -0.34 0.00 0.00 178.44 179.35 1jiq h HIS 421 N 0.66 0.39 -0.29 1.25 3.86 -1.84 -2.65 115.15 116.54 1jiq h HIS 421 Ca 0.17 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 1jiq h HIS 421 Cb 0.13 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1jiq h HIS 421 CO -0.01 0.28 -0.09 1.25 0.86 0.00 0.00 177.93 180.22 1jiq h HIS 422 N 0.40 0.50 -0.36 2.45 -0.00 -1.84 -1.39 115.15 114.90 1jiq h HIS 422 Ca 0.11 -0.07 0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1jiq h HIS 422 Cb -0.01 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 1jiq h HIS 422 CO -0.05 0.56 0.22 -0.22 -0.00 0.00 0.00 177.93 178.44 1jiq h LYS 423 N 0.44 0.44 -0.58 5.26 3.64 -1.13 0.53 116.57 125.17 1jiq h LYS 423 Ca 0.09 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1jiq h LYS 423 Cb 0.44 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1jiq h LYS 423 CO 0.02 0.29 0.04 0.82 -2.27 0.00 0.00 179.45 178.35 1jiq h ILE 424 N 0.45 1.26 0.05 2.00 2.04 -1.12 -0.74 117.51 121.45 1jiq h ILE 424 Ca 0.14 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1jiq h ILE 424 Cb -0.02 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1jiq h ILE 424 CO -0.05 0.39 -0.06 0.25 0.00 0.00 0.00 178.15 178.67 1jiq h LEU 425 N 0.88 -0.17 -0.51 1.44 5.85 -1.00 -1.23 115.31 120.56 1jiq h LEU 425 Ca 0.17 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1jiq h LEU 425 Cb 0.50 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1jiq h LEU 425 CO 0.02 -0.10 0.31 -0.07 -0.34 0.00 0.00 178.44 178.27 1jiq h LEU 426 N -0.14 0.52 -0.70 2.25 3.38 -0.77 -0.63 115.31 119.23 1jiq h LEU 426 Ca 0.01 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1jiq h LEU 426 Cb 0.14 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1jiq h LEU 426 CO -0.03 0.37 0.39 0.00 0.09 0.00 0.00 178.44 179.26 1jiq h ALA 427 N 1.22 0.94 -0.30 1.53 0.00 -0.80 -0.86 119.26 120.99 1jiq h ALA 427 Ca 0.20 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 1jiq h ALA 427 Cb -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1jiq h ALA 427 CO -0.08 0.07 -0.48 -0.91 0.00 0.00 0.00 179.25 177.85 1jiq h ASN 428 N 0.72 0.88 -0.53 0.00 2.35 -0.83 -0.04 115.58 118.13 1jiq h ASN 428 Ca 0.31 -0.44 0.07 0.00 -0.55 0.00 0.00 56.30 55.69 1jiq h ASN 428 Cb 0.20 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.26 1jiq h ASN 428 CO -0.19 1.22 0.20 0.15 -1.65 0.00 0.00 177.43 177.16 1jiq h PHE 429 N 0.64 0.35 -0.09 1.19 3.57 -0.57 -1.49 116.94 120.53 1jiq h PHE 429 Ca 0.03 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1jiq h PHE 429 Cb 1.07 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1jiq h PHE 429 CO 0.06 0.12 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.00 1jiq h LEU 430 N 0.39 0.32 -1.23 0.59 3.38 -1.07 -3.29 115.31 114.40 1jiq h LEU 430 Ca 0.25 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1jiq h LEU 430 Cb 0.27 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1jiq h LEU 430 CO -0.25 0.83 0.14 0.00 0.09 0.00 0.00 178.44 179.25 1jiq h ALA 431 N 0.50 1.39 -0.45 1.53 0.00 -0.88 -2.51 119.26 118.84 1jiq h ALA 431 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1jiq h ALA 431 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jiq h ALA 431 CO 0.04 0.45 -0.18 1.96 0.00 0.00 0.00 179.25 181.52 1jiq h GLN 432 N 0.66 0.92 -0.05 0.00 1.08 -1.34 0.99 115.11 117.37 1jiq h GLN 432 Ca 0.15 -0.38 -0.17 0.00 -1.45 0.00 0.00 58.65 56.80 1jiq h GLN 432 Cb 0.20 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1jiq h GLN 432 CO -0.01 1.04 -0.72 1.79 -0.95 0.00 0.00 178.83 179.99 1jiq h THR 433 N 0.75 1.42 -0.45 -0.54 1.35 -1.61 -0.79 112.91 113.04 1jiq h THR 433 Ca 0.10 -2.22 -0.00 0.00 -0.55 0.00 0.00 66.41 63.74 1jiq h THR 433 Cb 0.75 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 69.32 1jiq h THR 433 CO 0.06 0.65 0.28 -0.08 -0.25 0.00 0.00 175.52 176.18 1jiq h GLU 434 N 0.17 0.61 -0.45 4.72 4.81 -1.28 -0.03 114.58 123.12 1jiq h GLU 434 Ca -0.02 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1jiq h GLU 434 Cb 1.27 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1jiq h GLU 434 CO 0.11 0.43 0.07 0.00 -0.73 0.00 0.00 179.01 178.90 1jiq h ALA 435 N 1.14 0.60 -0.83 2.92 0.00 -0.65 0.82 119.26 123.26 1jiq h ALA 435 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jiq h ALA 435 Cb -0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1jiq h ALA 435 CO -0.03 0.32 0.53 -0.07 0.00 0.00 0.00 179.25 180.00 1jiq h LEU 436 N 0.61 0.96 0.12 0.00 3.38 -0.93 -1.33 115.31 118.12 1jiq h LEU 436 Ca 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jiq h LEU 436 Cb 0.38 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1jiq h LEU 436 CO 0.01 0.71 -0.06 -0.03 0.09 0.00 0.00 178.44 179.16 1jiq h MET 437 N 1.12 -0.16 0.07 1.13 4.05 -0.62 -1.04 114.93 119.48 1jiq h MET 437 Ca 0.30 0.01 -0.29 0.00 -0.28 0.00 0.00 59.70 59.44 1jiq h MET 437 Cb -0.11 0.04 0.03 0.00 -0.80 0.00 0.00 31.60 30.75 1jiq h MET 437 CO -0.06 0.31 -1.17 0.00 0.23 0.00 0.00 176.91 176.22 1jiq h ARG 438 N -0.88 0.65 0.00 0.39 2.47 -0.80 -1.44 114.38 114.77 1jiq h ARG 438 Ca -0.02 -0.80 0.00 0.00 -1.26 0.00 0.00 59.98 57.90 1jiq h ARG 438 Cb 0.54 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 1jiq h ARG 438 CO 0.03 1.36 0.00 0.41 0.56 0.00 0.00 179.97 182.33 1jiq n GLY 439 N 1.26 0.00 3.28 0.04 0.00 -0.51 -4.69 105.19 104.58 1jiq n GLY 439 Ca -0.13 -0.99 -0.06 0.00 0.00 0.00 0.00 46.02 44.84 1jiq n GLY 439 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jiq s LYS 440 N 0.00 0.40 0.77 1.61 2.20 0.04 -4.90 119.74 119.86 1jiq s LYS 440 Ca 0.00 1.04 -0.12 0.00 -0.36 0.00 0.00 55.97 56.53 1jiq s LYS 440 Cb 0.00 0.33 0.05 0.00 -1.51 0.00 0.00 37.83 36.70 1jiq s LYS 440 CO 0.00 -0.33 1.10 -1.54 -0.36 0.00 0.00 175.35 174.22 1jiq s SER 441 N 2.68 4.80 0.22 1.43 1.04 -1.26 -1.09 113.70 121.51 1jiq s SER 441 Ca 0.02 1.21 -0.08 0.00 0.48 0.00 0.00 55.95 57.58 1jiq s SER 441 Cb -0.13 -1.95 0.32 0.00 0.10 0.00 0.00 66.02 64.36 1jiq s SER 441 CO -0.15 -1.76 1.75 0.74 0.98 0.00 0.00 173.24 174.80 1jiq h THR 442 N -0.95 0.78 -0.47 2.02 2.02 -1.95 0.19 112.91 114.56 1jiq h THR 442 Ca -0.46 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.45 1jiq h THR 442 Cb 1.27 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1jiq h THR 442 CO 0.61 0.09 -0.11 -0.08 0.37 0.00 0.00 175.52 176.40 1jiq h GLU 443 N 0.48 0.86 -0.36 6.66 4.57 -1.98 0.80 114.58 125.60 1jiq h GLU 443 Ca 0.34 -0.29 -0.13 0.00 -1.18 0.00 0.00 59.36 58.09 1jiq h GLU 443 Cb 0.41 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1jiq h GLU 443 CO -0.31 0.92 -0.29 0.93 -1.18 0.00 0.00 179.01 179.09 1jiq h GLU 444 N 0.77 0.77 -0.22 1.92 5.08 -1.75 -1.56 114.58 119.60 1jiq h GLU 444 Ca 0.13 -0.34 -0.13 0.00 -1.00 0.00 0.00 59.36 58.01 1jiq h GLU 444 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1jiq h GLU 444 CO 0.04 0.96 -0.39 0.00 -1.00 0.00 0.00 179.01 178.62 1jiq h ALA 445 N 1.02 0.34 -0.34 3.43 0.00 -0.15 -2.95 119.26 120.61 1jiq h ALA 445 Ca 0.08 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.60 1jiq h ALA 445 Cb 0.82 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1jiq h ALA 445 CO 0.07 0.43 0.02 -0.09 0.00 0.00 0.00 179.25 179.68 1jiq h ARG 446 N 0.34 0.12 -0.27 0.00 2.43 0.74 -1.62 114.38 116.12 1jiq h ARG 446 Ca 0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1jiq h ARG 446 Cb 0.98 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 1jiq h ARG 446 CO 0.09 0.08 -0.11 0.87 -1.51 0.00 0.00 179.97 179.39 1jiq h LYS 447 N 0.12 -0.06 -0.53 0.20 6.56 -1.26 0.21 116.57 121.82 1jiq h LYS 447 Ca 0.16 0.00 0.11 0.00 -1.06 0.00 0.00 60.65 59.86 1jiq h LYS 447 Cb 0.21 0.01 -0.10 0.00 -0.57 0.00 0.00 32.23 31.79 1jiq h LYS 447 CO -0.26 -0.04 -0.08 0.93 -2.06 0.00 0.00 179.45 177.95 1jiq h GLU 448 N -0.06 0.04 -0.60 3.15 5.08 -1.23 0.19 114.58 121.15 1jiq h GLU 448 Ca 0.14 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1jiq h GLU 448 Cb 0.27 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1jiq h GLU 448 CO -0.32 0.03 -0.00 -0.07 -1.00 0.00 0.00 179.01 177.65 1jiq h LEU 449 N 0.04 1.03 0.24 1.33 -0.00 -0.51 -0.28 115.31 117.16 1jiq h LEU 449 Ca 0.26 -0.29 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1jiq h LEU 449 Cb 0.41 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1jiq h LEU 449 CO -0.51 1.08 -0.12 1.56 -0.00 0.00 0.00 178.44 180.45 1jiq h GLN 450 N 0.96 -0.32 -0.99 1.13 4.20 -0.27 -2.19 115.11 117.63 1jiq h GLN 450 Ca 0.17 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.00 1jiq h GLN 450 Cb 0.55 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.33 1jiq h GLN 450 CO 0.03 -0.21 0.62 0.00 -0.67 0.00 0.00 178.83 178.60 1jiq h ALA 451 N 0.43 1.43 0.00 3.87 0.00 -0.42 0.34 119.26 124.92 1jiq h ALA 451 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jiq h ALA 451 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jiq h ALA 451 CO 0.05 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1jiq n ALA 452 N -2.36 1.64 -0.82 0.00 0.00 -0.14 -4.88 120.51 113.96 1jiq n ALA 452 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1jiq n ALA 452 Cb 0.28 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1jiq n ALA 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jiq n GLY 453 N -0.04 0.89 3.75 0.00 0.00 0.11 -5.04 105.19 104.86 1jiq n GLY 453 Ca 0.02 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1jiq n GLY 453 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jiq s LYS 454 N -1.86 4.56 0.73 1.61 -0.14 -0.86 -5.00 119.74 118.78 1jiq s LYS 454 Ca 0.00 1.87 -0.14 0.00 -1.36 0.00 0.00 55.97 56.34 1jiq s LYS 454 Cb 0.00 -3.19 0.04 0.00 -1.68 0.00 0.00 37.83 32.99 1jiq s LYS 454 CO 0.00 0.08 1.16 -1.54 -0.76 0.00 0.00 175.35 174.29 1jiq s SER 455 N -0.51 4.40 0.31 2.83 1.04 -1.26 -4.64 113.70 115.87 1jiq s SER 455 Ca 0.47 2.18 0.07 0.00 0.48 0.00 0.00 55.95 59.16 1jiq s SER 455 Cb -0.33 -2.57 0.81 0.00 0.10 0.00 0.00 66.02 64.04 1jiq s SER 455 CO 0.41 -2.11 1.73 -0.65 0.98 0.00 0.00 173.24 173.60 1jiq h PRO 456 N -0.40 0.56 0.00 4.02 0.11 -1.98 0.20 132.00 134.50 1jiq h PRO 456 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jiq h PRO 456 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jiq h PRO 456 CO 0.50 0.37 0.00 0.39 -0.21 0.00 0.00 178.00 179.05 1jiq n GLU 457 N -4.90 0.00 -0.14 1.05 1.02 -1.26 -0.99 120.64 115.42 1jiq n GLU 457 Ca 0.25 0.63 -0.05 0.00 -0.02 0.00 0.00 57.16 57.96 1jiq n GLU 457 Cb 0.69 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.71 1jiq n GLU 457 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1jiq h ASP 458 N 0.00 -0.82 -0.12 1.62 5.19 -1.72 -2.19 116.42 118.37 1jiq h ASP 458 Ca 0.00 0.18 0.04 0.00 -0.62 0.00 0.00 57.03 56.63 1jiq h ASP 458 Cb 0.00 0.43 -0.07 0.00 0.18 0.00 0.00 39.33 39.87 1jiq h ASP 458 CO 0.00 -0.26 -0.44 0.25 -3.12 0.00 0.00 179.24 175.67 1jiq h LEU 459 N -0.15 -1.38 -1.74 1.55 6.46 -0.62 -0.15 115.31 119.28 1jiq h LEU 459 Ca 0.21 0.18 -0.03 0.00 -0.12 0.00 0.00 57.88 58.12 1jiq h LEU 459 Cb 0.48 0.56 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 1jiq h LEU 459 CO -0.54 -0.44 -0.15 -0.08 -0.62 0.00 0.00 178.44 176.61 1jiq h GLU 460 N -0.51 0.00 0.13 1.25 4.57 -0.54 0.22 114.58 119.70 1jiq h GLU 460 Ca 0.07 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.94 1jiq h GLU 460 Cb 0.64 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1jiq h GLU 460 CO -0.40 0.15 -1.49 0.00 -1.18 0.00 0.00 179.01 176.09 1jiq h ARG 461 N 0.00 0.27 0.00 1.92 2.47 -0.80 -3.34 114.38 114.91 1jiq h ARG 461 Ca -0.00 -0.47 -0.16 0.00 -1.26 0.00 0.00 59.98 58.09 1jiq h ARG 461 Cb 0.42 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1jiq h ARG 461 CO 0.02 1.16 -0.80 1.25 0.56 0.00 0.00 179.97 182.16 1jiq h LEU 462 N 0.07 0.00 -0.48 3.04 5.85 -0.71 -3.41 115.31 119.68 1jiq h LEU 462 Ca -0.23 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1jiq h LEU 462 Cb 2.02 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.96 1jiq h LEU 462 CO 0.17 0.74 -0.52 0.25 -0.34 0.00 0.00 178.44 178.74 1jiq h LEU 463 N 0.00 -1.76 -2.14 2.25 5.85 -0.68 -1.89 115.31 116.94 1jiq h LEU 463 Ca -0.02 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 1jiq h LEU 463 Cb 1.58 0.74 -0.00 0.00 0.37 0.00 0.00 40.66 43.35 1jiq h LEU 463 CO 0.09 -0.38 -0.03 1.55 -0.34 0.00 0.00 178.44 179.34 1jiq h PRO 464 N -0.33 0.00 0.00 5.25 0.13 -1.80 -2.04 132.00 133.21 1jiq h PRO 464 Ca 0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.17 1jiq h PRO 464 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1jiq h PRO 464 CO -0.64 0.03 -0.34 0.45 -0.23 0.00 0.00 178.00 177.28 1jiq h HIS 465 N 0.00 0.00 -0.01 1.56 3.86 -1.62 -3.03 115.15 115.92 1jiq h HIS 465 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jiq h HIS 465 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1jiq h HIS 465 CO 0.00 0.34 -0.17 1.63 0.86 0.00 0.00 177.93 180.59 1jiq n LYS 466 N -3.63 0.84 -3.01 2.45 4.76 -0.77 -4.90 118.16 113.89 1jiq n LYS 466 Ca -0.01 -0.41 -0.39 0.00 -2.87 0.00 0.00 58.31 54.62 1jiq n LYS 466 Cb 0.45 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.10 1jiq n LYS 466 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1jiq s VAL 467 N -2.44 4.54 -0.22 -0.18 1.01 -1.15 -4.90 120.40 117.07 1jiq s VAL 467 Ca 0.28 1.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.87 1jiq s VAL 467 Cb 0.20 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1jiq s VAL 467 CO 0.48 0.47 -0.10 -0.36 0.00 0.00 0.00 175.10 175.59 1jiq s PHE 468 N -0.73 2.94 -0.16 5.22 0.40 -0.25 -4.94 117.98 120.47 1jiq s PHE 468 Ca 0.36 -1.41 0.29 0.00 -0.60 0.00 0.00 56.93 55.57 1jiq s PHE 468 Cb -0.22 -2.02 1.20 0.00 0.51 0.00 0.00 43.02 42.49 1jiq s PHE 468 CO 0.24 -0.70 1.87 0.93 0.70 0.00 0.00 175.22 178.25 1jiq h GLU 469 N 8.01 0.00 0.00 0.44 5.08 -1.81 0.16 114.58 126.46 1jiq h GLU 469 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1jiq h GLU 469 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1jiq h GLU 469 CO 0.60 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.02 1jiq n GLY 470 N 0.03 0.95 2.34 -3.84 0.00 -1.26 -4.78 105.19 98.62 1jiq n GLY 470 Ca 0.01 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 1jiq n GLY 470 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jiq n ASN 471 N -3.22 -4.72 -4.50 1.61 5.15 -0.54 -4.93 115.26 104.11 1jiq n ASN 471 Ca 0.00 0.11 -0.40 0.00 -0.60 0.00 0.00 54.58 53.69 1jiq n ASN 471 Cb 0.00 -3.76 -0.11 0.00 -0.53 0.00 0.00 39.78 35.38 1jiq n ASN 471 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1jiq s ARG 472 N -4.32 3.39 0.38 1.20 0.52 -0.44 -4.93 118.95 114.75 1jiq s ARG 472 Ca 0.00 -0.71 -0.23 0.00 -0.52 0.00 0.00 55.73 54.27 1jiq s ARG 472 Cb 0.00 -3.76 -0.10 0.00 0.52 0.00 0.00 34.95 31.61 1jiq s ARG 472 CO 0.00 -0.47 0.94 -1.25 0.02 0.00 0.00 175.30 174.54 1jiq s PRO 473 N 1.69 4.38 0.09 3.54 0.04 -1.26 -3.83 135.00 139.64 1jiq s PRO 473 Ca 0.05 1.20 -0.08 0.00 0.04 0.00 0.00 61.00 62.21 1jiq s PRO 473 Cb -0.17 -2.47 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 1jiq s PRO 473 CO 0.09 0.12 0.18 0.95 0.04 0.00 0.00 177.00 178.38 1jiq s THR 474 N -1.92 0.15 -0.05 1.26 -4.23 -0.66 -3.32 115.64 106.87 1jiq s THR 474 Ca 0.56 -1.20 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1jiq s THR 474 Cb -0.13 -1.33 -0.03 0.00 1.34 0.00 0.00 72.50 72.34 1jiq s THR 474 CO 0.18 -0.66 -0.06 0.20 -0.54 0.00 0.00 174.62 173.74 1jiq s ASN 475 N -2.84 4.70 -0.18 3.99 0.01 -0.08 -4.04 114.94 116.50 1jiq s ASN 475 Ca 0.05 -0.04 0.01 0.00 -0.71 0.00 0.00 52.86 52.17 1jiq s ASN 475 Cb 0.05 -1.18 0.02 0.00 0.41 0.00 0.00 41.25 40.55 1jiq s ASN 475 CO -0.11 0.34 -0.19 -0.44 -1.51 0.00 0.00 177.10 175.20 1jiq s SER 476 N -0.98 3.24 -0.26 -1.22 0.01 -0.52 -0.71 113.70 113.25 1jiq s SER 476 Ca 0.14 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.79 1jiq s SER 476 Cb -0.11 -1.50 0.05 0.00 0.21 0.00 0.00 66.02 64.67 1jiq s SER 476 CO 0.03 0.01 -0.08 -0.63 0.41 0.00 0.00 173.24 172.99 1jiq s ILE 477 N 1.23 2.49 -0.07 1.44 1.01 0.51 -1.06 121.20 126.75 1jiq s ILE 477 Ca 0.03 -1.44 0.05 0.00 0.00 0.00 0.00 60.65 59.29 1jiq s ILE 477 Cb -0.13 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 1jiq s ILE 477 CO -0.10 0.02 -0.22 -0.69 0.00 0.00 0.00 174.94 173.94 1jiq s VAL 478 N 1.19 2.27 0.07 2.92 1.01 -0.37 -1.76 120.40 125.73 1jiq s VAL 478 Ca -0.06 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1jiq s VAL 478 Cb -0.19 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1jiq s VAL 478 CO -0.04 0.57 -0.08 0.72 0.00 0.00 0.00 175.10 176.26 1jiq s PHE 479 N -0.08 0.83 0.11 5.22 -0.12 -0.86 0.23 117.98 123.31 1jiq s PHE 479 Ca -0.05 -0.69 -0.23 0.00 -0.05 0.00 0.00 56.93 55.91 1jiq s PHE 479 Cb -0.14 -0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 41.69 1jiq s PHE 479 CO 0.04 -0.09 1.69 1.15 -0.05 0.00 0.00 175.22 177.96 1jiq h THR 480 N 3.74 0.71 -2.16 -4.49 2.02 -1.65 0.27 112.91 111.35 1jiq h THR 480 Ca -0.36 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1jiq h THR 480 Cb 1.19 0.71 -0.21 0.00 -1.74 0.00 0.00 68.15 68.09 1jiq h THR 480 CO 0.52 0.00 0.06 -0.75 0.37 0.00 0.00 175.52 175.72 1jiq s LYS 481 N -6.16 0.78 -1.13 6.66 2.20 -1.26 -0.44 119.74 120.39 1jiq s LYS 481 Ca -0.14 0.85 -0.19 0.00 -0.36 0.00 0.00 55.97 56.13 1jiq s LYS 481 Cb 0.09 0.38 0.09 0.00 -1.51 0.00 0.00 37.83 36.87 1jiq s LYS 481 CO 0.67 -0.11 1.51 -1.17 -0.36 0.00 0.00 175.35 175.89 1jiq s LEU 482 N 0.22 4.06 0.51 5.43 2.96 -1.26 -4.71 118.68 125.89 1jiq s LEU 482 Ca -0.01 -2.11 0.06 0.00 -0.22 0.00 0.00 54.13 51.86 1jiq s LEU 482 Cb -0.04 -2.53 0.04 0.00 0.50 0.00 0.00 46.19 44.17 1jiq s LEU 482 CO 0.02 -1.22 0.71 0.42 -1.32 0.00 0.00 176.35 174.95 1jiq s THR 483 N 3.91 2.64 0.23 3.68 -4.23 -1.26 -4.89 115.64 115.72 1jiq s THR 483 Ca 0.47 -0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 60.02 1jiq s THR 483 Cb 0.00 -2.75 0.18 0.00 1.34 0.00 0.00 72.50 71.28 1jiq s THR 483 CO -0.02 0.00 1.78 -0.65 -0.54 0.00 0.00 174.62 175.19 1jiq h PRO 484 N 0.30 0.60 -0.19 3.99 0.11 -1.92 -0.44 132.00 134.45 1jiq h PRO 484 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1jiq h PRO 484 Cb 1.28 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1jiq h PRO 484 CO 0.45 0.40 0.09 0.35 -0.21 0.00 0.00 178.00 179.08 1jiq h PHE 485 N 0.62 0.28 -0.45 0.65 3.57 -1.88 -1.90 116.94 117.83 1jiq h PHE 485 Ca 0.36 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 1jiq h PHE 485 Cb 0.38 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1jiq h PHE 485 CO -0.10 0.30 -0.04 1.98 -2.23 0.00 0.00 178.31 178.22 1jiq h MET 486 N 0.18 0.83 -0.92 1.11 4.05 -1.77 -1.62 114.93 116.80 1jiq h MET 486 Ca 0.07 -0.28 0.08 0.00 -0.28 0.00 0.00 59.70 59.28 1jiq h MET 486 Cb 0.12 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.79 1jiq h MET 486 CO -0.01 0.90 0.57 1.25 0.23 0.00 0.00 176.91 179.86 1jiq h LEU 487 N 0.67 0.87 -0.59 3.39 5.85 -1.00 -0.23 115.31 124.28 1jiq h LEU 487 Ca 0.12 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1jiq h LEU 487 Cb 0.56 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1jiq h LEU 487 CO 0.03 0.53 0.23 1.23 -0.34 0.00 0.00 178.44 180.12 1jiq h GLY 488 N 0.99 0.96 0.98 3.75 0.00 -0.71 -1.21 103.07 107.84 1jiq h GLY 488 Ca 0.42 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1jiq h GLY 488 CO -0.21 0.50 0.24 0.00 0.00 0.00 0.00 176.54 177.07 1jiq h ALA 489 N 1.08 0.70 -0.48 3.60 0.00 -0.64 -2.00 119.26 121.52 1jiq h ALA 489 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1jiq h ALA 489 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1jiq h ALA 489 CO -0.01 0.28 0.20 -0.07 0.00 0.00 0.00 179.25 179.65 1jiq h LEU 490 N 0.73 0.66 -0.20 0.00 3.38 -0.80 -0.92 115.31 118.15 1jiq h LEU 490 Ca 0.18 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1jiq h LEU 490 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1jiq h LEU 490 CO -0.02 0.63 0.06 0.58 0.09 0.00 0.00 178.44 179.79 1jiq h VAL 491 N 0.64 1.19 -0.32 1.22 2.07 -1.12 -2.59 116.25 117.33 1jiq h VAL 491 Ca 0.16 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1jiq h VAL 491 Cb 0.17 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1jiq h VAL 491 CO -0.02 0.18 0.13 0.00 0.02 0.00 0.00 177.57 177.89 1jiq h ALA 492 N 0.89 1.63 -0.40 1.67 0.00 -1.27 -0.75 119.26 121.03 1jiq h ALA 492 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jiq h ALA 492 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jiq h ALA 492 CO -0.00 0.30 0.25 1.98 0.00 0.00 0.00 179.25 181.78 1jiq h MET 493 N 0.45 0.50 -0.22 0.00 -1.53 -0.79 -0.99 114.93 112.36 1jiq h MET 493 Ca 0.11 -0.03 -0.12 0.00 -3.44 0.00 0.00 59.70 56.23 1jiq h MET 493 Cb 0.09 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.01 1jiq h MET 493 CO -0.01 0.33 -0.37 1.88 0.14 0.00 0.00 176.91 178.88 1jiq h TYR 494 N 0.52 0.56 -0.67 1.39 -1.99 -1.04 -0.63 116.97 115.11 1jiq h TYR 494 Ca 0.15 -0.15 0.03 0.00 2.00 0.00 0.00 58.73 60.77 1jiq h TYR 494 Cb -0.04 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.52 1jiq h TYR 494 CO -0.06 0.78 0.41 0.93 -0.00 0.00 0.00 178.16 180.22 1jiq h GLU 495 N 0.40 0.77 -0.02 4.88 5.08 -0.62 -1.16 114.58 123.90 1jiq h GLU 495 Ca 0.04 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1jiq h GLU 495 Cb 0.83 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1jiq h GLU 495 CO 0.07 0.51 -0.70 0.45 -1.00 0.00 0.00 179.01 178.33 1jiq h HIS 496 N 0.79 0.16 -0.27 4.33 3.86 -0.93 -1.84 115.15 121.25 1jiq h HIS 496 Ca 0.27 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.44 1jiq h HIS 496 Cb 0.05 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1jiq h HIS 496 CO -0.05 0.78 0.08 -0.22 0.86 0.00 0.00 177.93 179.38 1jiq h LYS 497 N 0.08 0.19 -0.84 2.45 3.64 -0.59 -1.11 116.57 120.39 1jiq h LYS 497 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1jiq h LYS 497 Cb 1.24 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1jiq h LYS 497 CO 0.10 0.13 0.45 0.82 -2.27 0.00 0.00 179.45 178.68 1jiq h ILE 498 N 0.20 1.25 -0.27 2.00 2.04 -0.99 -1.99 117.51 119.75 1jiq h ILE 498 Ca 0.12 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1jiq h ILE 498 Cb 0.09 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1jiq h ILE 498 CO -0.13 0.28 0.12 0.15 0.00 0.00 0.00 178.15 178.57 1jiq h PHE 499 N 1.18 0.39 -0.63 1.37 3.57 -0.93 -1.84 116.94 120.05 1jiq h PHE 499 Ca 0.30 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1jiq h PHE 499 Cb 0.04 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1jiq h PHE 499 CO 0.01 0.38 0.38 0.28 -2.23 0.00 0.00 178.31 177.13 1jiq h VAL 500 N 0.29 1.18 -0.62 1.41 2.07 -0.92 -1.88 116.25 117.78 1jiq h VAL 500 Ca 0.09 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1jiq h VAL 500 Cb 0.14 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1jiq h VAL 500 CO -0.01 0.19 0.29 1.56 0.02 0.00 0.00 177.57 179.63 1jiq h GLN 501 N 0.86 0.90 -0.89 1.57 4.20 -1.17 -1.61 115.11 118.97 1jiq h GLN 501 Ca 0.23 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1jiq h GLN 501 Cb -0.02 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.56 1jiq h GLN 501 CO -0.04 0.73 0.46 0.78 -0.67 0.00 0.00 178.83 180.09 1jiq h GLY 502 N 0.86 1.34 0.95 3.46 0.00 -0.91 -1.12 103.07 107.65 1jiq h GLY 502 Ca 0.21 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1jiq h GLY 502 CO -0.03 0.60 0.15 -2.22 0.00 0.00 0.00 176.54 175.05 1jiq h ILE 503 N 1.25 1.13 -0.74 2.60 1.08 -0.89 0.26 117.51 122.19 1jiq h ILE 503 Ca 0.31 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 1jiq h ILE 503 Cb 0.06 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 1jiq h ILE 503 CO -0.05 0.12 0.47 0.40 -0.69 0.00 0.00 178.15 178.41 1jiq h ILE 504 N 0.33 1.20 0.00 -0.67 2.04 -0.95 -1.64 117.51 117.82 1jiq h ILE 504 Ca 0.10 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1jiq h ILE 504 Cb 0.07 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1jiq h ILE 504 CO -0.02 0.20 0.00 0.79 0.00 0.00 0.00 178.15 179.13 1jiq n TRP 505 N -4.54 0.36 -2.21 1.37 8.01 -0.45 -4.48 117.44 115.49 1jiq n TRP 505 Ca 0.07 0.12 -0.13 0.00 -1.31 0.00 0.00 57.50 56.25 1jiq n TRP 505 Cb 0.03 -0.69 -0.01 0.00 -2.01 0.00 0.00 31.31 28.64 1jiq n TRP 505 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1jiq n ASP 506 N -1.80 -4.02 -4.90 -0.99 2.03 0.80 -4.73 116.55 102.94 1jiq n ASP 506 Ca 0.05 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.14 1jiq n ASP 506 Cb 0.32 -3.20 -0.02 0.00 -0.72 0.00 0.00 41.12 37.50 1jiq n ASP 506 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1jiq s ILE 507 N -2.63 2.28 -0.43 5.18 -5.25 -0.58 -1.41 121.20 118.36 1jiq s ILE 507 Ca 0.00 -1.37 -0.14 0.00 -0.99 0.00 0.00 60.65 58.15 1jiq s ILE 507 Cb 0.00 -2.64 0.04 0.00 2.95 0.00 0.00 42.46 42.81 1jiq s ILE 507 CO 0.00 0.00 0.32 0.21 -1.79 0.00 0.00 174.94 173.68 1jiq s ASN 508 N -4.23 6.04 0.00 4.36 3.84 -1.26 -4.57 114.94 119.12 1jiq s ASN 508 Ca 0.45 -1.10 0.22 0.00 0.21 0.00 0.00 52.86 52.64 1jiq s ASN 508 Cb -0.03 -2.14 1.06 0.00 -0.55 0.00 0.00 41.25 39.60 1jiq s ASN 508 CO 0.27 -0.51 1.73 -1.20 -2.79 0.00 0.00 177.10 174.59 1jiq n SER 509 N 5.14 0.00 -0.28 -4.21 7.64 -1.26 -3.86 113.62 116.78 1jiq n SER 509 Ca -0.12 0.18 0.03 0.00 1.01 0.00 0.00 58.87 59.97 1jiq n SER 509 Cb 0.45 -0.37 0.06 0.00 -1.01 0.00 0.00 64.21 63.34 1jiq n SER 509 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1jiq n PHE 510 N -1.37 0.16 -4.14 1.43 3.01 -1.26 -4.32 117.46 110.97 1jiq n PHE 510 Ca 0.09 -0.36 -0.27 0.00 1.01 0.00 0.00 57.45 57.92 1jiq n PHE 510 Cb 0.21 -0.03 -0.02 0.00 -0.01 0.00 0.00 39.48 39.63 1jiq n PHE 510 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1jiq n ASP 511 N 0.07 2.87 -2.71 4.37 5.68 -1.25 -4.98 116.55 120.59 1jiq n ASP 511 Ca 0.05 -2.88 -0.08 0.00 -0.50 0.00 0.00 54.79 51.38 1jiq n ASP 511 Cb 0.28 0.08 0.09 0.00 -1.14 0.00 0.00 41.12 40.44 1jiq n ASP 511 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jiq n GLN 512 N -1.54 0.91 0.22 0.11 0.00 -1.26 -4.81 117.38 111.01 1jiq n GLN 512 Ca -0.08 -1.72 0.16 0.00 0.00 0.00 0.00 57.00 55.36 1jiq n GLN 512 Cb 0.59 -0.74 0.69 0.00 0.00 0.00 0.00 30.24 30.78 1jiq n GLN 512 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1jiq h TRP 513 N 2.69 0.00 0.00 2.61 4.06 -1.99 -3.08 115.95 120.24 1jiq h TRP 513 Ca -0.17 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.78 1jiq h TRP 513 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 1jiq h TRP 513 CO 0.22 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.51 1jiq n GLY 514 N -0.31 -0.70 0.02 1.49 0.00 -1.26 -2.59 105.19 101.84 1jiq n GLY 514 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1jiq n GLY 514 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1jiq n VAL 515 N -1.23 0.08 -0.10 1.61 0.24 -1.17 -4.58 118.33 113.18 1jiq n VAL 515 Ca 0.08 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 1jiq n VAL 515 Cb 0.10 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 32.87 1jiq n VAL 515 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1jiq h GLU 516 N 0.00 0.60 -0.13 7.34 4.81 -1.74 -3.21 114.58 122.25 1jiq h GLU 516 Ca 0.00 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 58.99 1jiq h GLU 516 Cb 0.64 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1jiq h GLU 516 CO 0.00 0.82 0.01 1.25 -0.73 0.00 0.00 179.01 180.37 1jiq h LEU 517 N 0.36 -0.02 -1.10 1.64 5.85 -1.81 -1.50 115.31 118.72 1jiq h LEU 517 Ca 0.07 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1jiq h LEU 517 Cb 0.63 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 1jiq h LEU 517 CO 0.04 0.01 0.61 1.23 -0.34 0.00 0.00 178.44 179.99 1jiq h GLY 518 N 0.06 1.36 1.02 3.75 0.00 -1.87 -0.67 103.07 106.72 1jiq h GLY 518 Ca 0.06 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 1jiq h GLY 518 CO -0.09 0.35 0.01 0.50 0.00 0.00 0.00 176.54 177.32 1jiq h LYS 519 N 1.12 0.90 -0.33 4.80 1.57 -1.45 -1.21 116.57 121.98 1jiq h LYS 519 Ca 0.39 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1jiq h LYS 519 Cb 0.10 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1jiq h LYS 519 CO -0.13 0.92 0.08 1.96 -0.57 0.00 0.00 179.45 181.70 1jiq h GLN 520 N 0.78 0.52 -0.19 3.15 4.20 -0.60 -2.57 115.11 120.40 1jiq h GLN 520 Ca 0.15 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.60 1jiq h GLN 520 Cb 0.51 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1jiq h GLN 520 CO 0.02 0.59 -0.42 -0.07 -0.67 0.00 0.00 178.83 178.29 1jiq h LEU 521 N 0.37 0.48 -0.76 1.46 3.38 -1.09 -2.77 115.31 116.39 1jiq h LEU 521 Ca 0.10 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 1jiq h LEU 521 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1jiq h LEU 521 CO 0.00 0.84 0.12 0.00 0.09 0.00 0.00 178.44 179.50 1jiq h ALA 522 N 1.18 0.97 -0.77 1.53 0.00 -1.17 -2.50 119.26 118.51 1jiq h ALA 522 Ca 0.03 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jiq h ALA 522 Cb 0.89 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1jiq h ALA 522 CO 0.08 0.65 0.50 -0.22 0.00 0.00 0.00 179.25 180.26 1jiq h LYS 523 N 1.00 1.01 -0.41 0.00 1.63 -1.18 -1.66 116.57 116.97 1jiq h LYS 523 Ca 0.20 -0.07 -0.15 0.00 -0.85 0.00 0.00 60.65 59.78 1jiq h LYS 523 Cb 0.41 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1jiq h LYS 523 CO 0.01 0.68 -0.35 0.87 -3.45 0.00 0.00 179.45 177.21 1jiq h LYS 524 N 1.04 0.95 -0.37 1.90 1.57 -1.33 -3.21 116.57 117.12 1jiq h LYS 524 Ca 0.28 -0.48 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 1jiq h LYS 524 Cb -0.11 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1jiq h LYS 524 CO -0.06 1.14 -0.16 0.82 -0.57 0.00 0.00 179.45 180.62 1jiq h ILE 525 N 0.79 1.26 -0.31 1.86 2.04 -1.01 -3.37 117.51 118.77 1jiq h ILE 525 Ca 0.07 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.79 1jiq h ILE 525 Cb 0.94 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 38.09 1jiq h ILE 525 CO 0.09 0.40 -0.55 -0.33 0.00 0.00 0.00 178.15 177.75 1jiq h GLU 526 N 0.60 -0.45 0.00 2.37 5.08 -1.32 -0.91 114.58 119.95 1jiq h GLU 526 Ca 0.10 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1jiq h GLU 526 Cb 0.61 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jiq h GLU 526 CO 0.04 -0.30 -0.00 -1.00 -1.00 0.00 0.00 179.01 176.75 1jiq h PRO 527 N -0.46 0.00 0.00 2.33 0.13 -1.77 -2.33 132.00 129.90 1jiq h PRO 527 Ca 0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.17 1jiq h PRO 527 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1jiq h PRO 527 CO -0.54 0.00 -0.09 0.93 -0.23 0.00 0.00 178.00 178.08 1jiq h GLU 528 N 0.00 0.00 -0.03 0.86 5.08 -1.33 -3.25 114.58 115.90 1jiq h GLU 528 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1jiq h GLU 528 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1jiq h GLU 528 CO 0.00 0.09 -0.64 -0.07 -1.00 0.00 0.00 179.01 177.39 1jiq h LEU 529 N 0.00 0.15 -9.79 1.33 3.38 -1.25 -3.44 115.31 105.69 1jiq h LEU 529 Ca -0.00 -0.09 -0.53 0.00 0.09 0.00 0.00 57.88 57.35 1jiq h LEU 529 Cb 0.72 -0.04 0.07 0.00 0.09 0.00 0.00 40.66 41.50 1jiq h LEU 529 CO 0.01 0.75 0.80 -1.81 0.09 0.00 0.00 178.44 178.28 1jiq s ASP 530 N -6.88 6.53 0.00 -0.43 -0.00 -1.23 -4.85 116.67 109.81 1jiq s ASP 530 Ca -0.03 2.81 0.00 0.00 -0.00 0.00 0.00 52.55 55.33 1jiq s ASP 530 Cb 0.12 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.41 1jiq s ASP 530 CO 0.79 -0.79 0.00 0.61 -0.00 0.00 0.00 175.17 175.78 1jiq n GLY 531 N 1.97 0.24 0.20 0.21 0.00 -1.26 -4.74 105.19 101.81 1jiq n GLY 531 Ca 0.06 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.40 1jiq n GLY 531 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jiq h SER 532 N 0.00 0.00 -2.50 1.61 4.64 -1.96 -3.47 113.55 111.87 1jiq h SER 532 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1jiq h SER 532 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 1jiq h SER 532 CO 0.00 0.24 1.00 0.00 -0.87 0.00 0.00 176.83 177.20 1jiq n ALA 533 N -2.18 2.27 -1.77 5.18 0.00 -1.26 -4.93 120.51 117.81 1jiq n ALA 533 Ca 0.02 0.38 -0.38 0.00 0.00 0.00 0.00 53.44 53.47 1jiq n ALA 533 Cb 0.56 -2.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.49 1jiq n ALA 533 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jiq s GLN 534 N 1.65 3.82 -0.12 0.00 -0.21 -1.26 -5.00 119.66 118.53 1jiq s GLN 534 Ca 0.78 1.83 -0.06 0.00 0.02 0.00 0.00 55.36 57.93 1jiq s GLN 534 Cb -0.54 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.94 1jiq s GLN 534 CO 0.36 -0.51 0.12 0.08 -2.12 0.00 0.00 175.29 173.21 1jiq s VAL 535 N -1.49 5.29 0.00 1.09 1.01 -1.26 -4.98 120.40 120.06 1jiq s VAL 535 Ca 0.62 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.73 1jiq s VAL 535 Cb -0.30 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1jiq s VAL 535 CO 0.37 0.60 0.70 0.35 0.00 0.00 0.00 175.10 177.11 1jiq n THR 536 N 2.20 0.46 1.79 3.92 -2.24 -1.26 -4.78 114.28 114.36 1jiq n THR 536 Ca -0.19 -0.49 0.14 0.00 -2.27 0.00 0.00 64.05 61.24 1jiq n THR 536 Cb 0.54 0.83 0.73 0.00 -2.10 0.00 0.00 70.33 70.33 1jiq n THR 536 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jiq n SER 537 N -0.23 0.58 -2.41 3.42 3.41 -1.26 -4.90 113.62 112.23 1jiq n SER 537 Ca 0.00 -1.26 -0.07 0.00 -0.26 0.00 0.00 58.87 57.28 1jiq n SER 537 Cb 0.34 -0.01 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1jiq n SER 537 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jiq n HIS 538 N -0.52 0.18 -0.65 7.33 8.25 -1.26 -5.11 115.22 123.45 1jiq n HIS 538 Ca 0.21 -0.64 -0.30 0.00 -0.26 0.00 0.00 57.72 56.73 1jiq n HIS 538 Cb 0.19 -0.05 0.20 0.00 1.12 0.00 0.00 29.99 31.45 1jiq n HIS 538 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1jiq s ASP 539 N -1.67 2.17 0.38 0.41 1.47 -1.26 -4.74 116.67 113.43 1jiq s ASP 539 Ca 0.02 1.92 0.05 0.00 1.18 0.00 0.00 52.55 55.72 1jiq s ASP 539 Cb 0.00 -2.46 0.76 0.00 -0.34 0.00 0.00 42.92 40.87 1jiq s ASP 539 CO 0.02 -3.52 2.01 0.00 0.68 0.00 0.00 175.17 174.35 1jiq h ALA 540 N -2.16 1.60 0.31 2.11 0.00 -1.98 -1.39 119.26 117.75 1jiq h ALA 540 Ca -0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1jiq h ALA 540 Cb 1.29 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1jiq h ALA 540 CO 0.45 0.34 -0.15 1.03 0.00 0.00 0.00 179.25 180.92 1jiq h SER 541 N 0.61 -0.36 -0.48 0.00 0.87 -1.98 0.13 113.55 112.35 1jiq h SER 541 Ca 0.16 -0.19 0.09 0.00 -1.23 0.00 0.00 61.79 60.62 1jiq h SER 541 Cb 0.01 0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 61.99 1jiq h SER 541 CO -0.03 0.07 0.07 0.74 -0.53 0.00 0.00 176.83 177.15 1jiq h THR 542 N -0.87 0.70 -0.53 2.23 2.02 -1.91 0.41 112.91 114.95 1jiq h THR 542 Ca -0.04 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1jiq h THR 542 Cb 0.52 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1jiq h THR 542 CO 0.07 0.03 0.32 0.78 0.37 0.00 0.00 175.52 177.09 1jiq h ASN 543 N 0.19 0.51 -0.60 4.18 2.35 -1.25 -1.12 115.58 119.85 1jiq h ASN 543 Ca 0.24 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.96 1jiq h ASN 543 Cb 0.34 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1jiq h ASN 543 CO -0.34 0.36 0.22 1.23 -1.65 0.00 0.00 177.43 177.24 1jiq h GLY 544 N 0.63 0.97 0.80 2.83 0.00 0.54 0.03 103.07 108.87 1jiq h GLY 544 Ca 0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1jiq h GLY 544 CO -0.10 0.52 0.02 1.41 0.00 0.00 0.00 176.54 178.39 1jiq h LEU 545 N 0.83 0.17 -0.59 3.11 3.38 -0.02 -1.53 115.31 120.67 1jiq h LEU 545 Ca 0.20 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1jiq h LEU 545 Cb 0.24 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1jiq h LEU 545 CO -0.01 0.38 0.32 0.40 0.09 0.00 0.00 178.44 179.62 1jiq h ILE 546 N -0.04 0.97 -0.17 1.22 2.04 -1.03 -1.20 117.51 119.31 1jiq h ILE 546 Ca 0.03 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.60 1jiq h ILE 546 Cb 0.28 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1jiq h ILE 546 CO 0.00 0.11 -0.29 0.78 0.00 0.00 0.00 178.15 178.76 1jiq h ASN 547 N 0.61 0.33 -0.49 1.72 2.35 -0.86 -0.64 115.58 118.61 1jiq h ASN 547 Ca 0.26 -0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1jiq h ASN 547 Cb 0.14 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1jiq h ASN 547 CO -0.16 0.62 -0.17 0.15 -1.65 0.00 0.00 177.43 176.21 1jiq h PHE 548 N 0.29 1.11 -0.31 1.19 3.57 -0.93 -1.22 116.94 120.63 1jiq h PHE 548 Ca 0.04 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1jiq h PHE 548 Cb 0.66 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1jiq h PHE 548 CO 0.01 1.07 0.21 0.82 -2.23 0.00 0.00 178.31 178.19 1jiq h ILE 549 N 0.83 1.07 -0.68 1.41 2.04 -0.81 0.20 117.51 121.57 1jiq h ILE 549 Ca 0.12 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1jiq h ILE 549 Cb 0.74 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1jiq h ILE 549 CO 0.06 0.08 0.27 0.11 0.00 0.00 0.00 178.15 178.67 1jiq h LYS 550 N 0.42 1.00 -0.11 2.37 1.57 -0.97 -0.85 116.57 119.99 1jiq h LYS 550 Ca 0.12 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1jiq h LYS 550 Cb -0.04 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 1jiq h LYS 550 CO -0.03 0.81 0.03 0.37 -0.57 0.00 0.00 179.45 180.07 1jiq h GLN 551 N 0.98 0.18 0.00 3.15 4.15 -0.72 -3.21 115.11 119.64 1jiq h GLN 551 Ca 0.23 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1jiq h GLN 551 Cb 0.19 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1jiq h GLN 551 CO -0.02 0.34 0.00 1.04 -1.93 0.00 0.00 178.83 178.26 1jiq n GLN 552 N -4.87 0.16 0.09 1.69 1.13 0.01 -2.74 117.38 112.85 1jiq n GLN 552 Ca -0.06 0.17 0.11 0.00 -1.94 0.00 0.00 57.00 55.28 1jiq n GLN 552 Cb 0.15 -1.70 0.58 0.00 0.11 0.00 0.00 30.24 29.38 1jiq n GLN 552 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1jiq h ARG 553 N 0.00 0.18 -0.01 -1.09 2.43 -1.16 -1.97 114.38 112.77 1jiq h ARG 553 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1jiq h ARG 553 Cb 0.60 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1jiq h ARG 553 CO 0.00 0.12 -0.11 0.39 -1.51 0.00 0.00 179.97 178.86 1jiq n GLU 554 N -4.48 1.21 -2.90 0.20 -0.58 -1.11 -4.92 120.64 108.05 1jiq n GLU 554 Ca 0.03 -0.66 -0.36 0.00 -0.42 0.00 0.00 57.16 55.76 1jiq n GLU 554 Cb 0.25 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.57 1jiq n GLU 554 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jiq s ALA 555 N -2.24 3.24 -0.20 0.62 0.00 -0.74 -5.05 121.76 117.38 1jiq s ALA 555 Ca 0.32 0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 1jiq s ALA 555 Cb 0.20 -3.05 -0.00 0.00 0.00 0.00 0.00 23.12 20.27 1jiq s ALA 555 CO 0.42 0.22 -0.08 1.03 0.00 0.00 0.00 175.76 177.35 1jiq s ARG 556 N -2.35 3.30 0.00 0.00 3.00 -1.26 -5.08 118.95 116.56 1jiq s ARG 556 Ca 0.51 -0.67 0.00 0.00 0.00 0.00 0.00 55.73 55.57 1jiq s ARG 556 Cb -0.15 -2.89 0.00 0.00 0.00 0.00 0.00 34.95 31.91 1jiq s ARG 556 CO 0.20 -0.17 0.41 1.33 0.00 0.00 0.00 175.30 177.08