#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 3.63 0.17 3.04 0.00 -1.26 -4.94 121.76 122.40 1jiq s ALA 2 Ca 0.00 -1.18 -0.16 0.00 0.00 0.00 0.00 51.96 50.62 1jiq s ALA 2 Cb 0.00 -2.27 0.12 0.00 0.00 0.00 0.00 23.12 20.97 1jiq s ALA 2 CO 0.00 -0.94 1.68 0.00 0.00 0.00 0.00 175.76 176.49 1jiq h ALA 3 N -0.17 0.33 -0.10 0.00 0.00 -1.96 -1.74 119.26 115.62 1jiq h ALA 3 Ca -0.43 0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1jiq h ALA 3 Cb 1.30 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1jiq h ALA 3 CO 0.55 -0.43 -0.09 1.25 0.00 0.00 0.00 179.25 180.53 1jiq h LEU 4 N 0.04 -0.28 -1.65 0.00 5.85 -1.85 -1.77 115.31 115.66 1jiq h LEU 4 Ca 0.21 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 1jiq h LEU 4 Cb 0.31 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1jiq h LEU 4 CO -0.40 -0.12 -0.19 0.71 -0.34 0.00 0.00 178.44 178.10 1jiq h THR 5 N -0.10 0.75 0.00 1.05 1.35 -1.82 -1.67 112.91 112.47 1jiq h THR 5 Ca 0.07 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1jiq h THR 5 Cb 0.21 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1jiq h THR 5 CO -0.17 0.19 -0.26 0.54 -0.25 0.00 0.00 175.52 175.57 1jiq n ARG 6 N -3.76 0.10 -2.16 4.72 1.74 -0.70 -4.78 116.66 111.82 1jiq n ARG 6 Ca -0.02 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1jiq n ARG 6 Cb 0.30 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 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 -3.51 6.81 0.29 0.55 -1.08 -0.63 -4.93 116.67 114.16 1jiq s ASP 7 Ca 0.11 2.30 -0.00 0.00 -0.52 0.00 0.00 52.55 54.44 1jiq s ASP 7 Cb 0.16 -2.58 0.42 0.00 -1.46 0.00 0.00 42.92 39.47 1jiq s ASP 7 CO 0.63 -0.69 1.82 -0.65 0.52 0.00 0.00 175.17 176.79 1jiq h PRO 8 N 7.15 0.75 -0.68 4.34 0.11 -1.89 -2.02 132.00 139.76 1jiq h PRO 8 Ca -0.41 -0.17 -0.05 0.00 0.11 0.00 0.00 66.00 65.48 1jiq h PRO 8 Cb 1.20 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1jiq h PRO 8 CO 0.88 0.72 0.21 1.96 -0.21 0.00 0.00 178.00 181.56 1jiq h GLN 9 N 0.72 1.03 -0.54 1.05 1.08 -1.92 -0.71 115.11 115.82 1jiq h GLN 9 Ca 0.15 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 1jiq h GLN 9 Cb 0.35 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1jiq h GLN 9 CO 0.01 0.88 0.05 0.35 -0.95 0.00 0.00 178.83 179.17 1jiq h PHE 10 N 1.00 0.98 -0.81 2.96 3.57 -1.76 -1.61 116.94 121.27 1jiq h PHE 10 Ca 0.22 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1jiq h PHE 10 Cb 0.28 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 1jiq h PHE 10 CO 0.02 0.88 0.44 1.96 -2.23 0.00 0.00 178.31 179.38 1jiq h GLN 11 N 0.79 1.12 -0.70 1.11 4.20 -0.97 -0.58 115.11 120.07 1jiq h GLN 11 Ca 0.16 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1jiq h GLN 11 Cb 0.46 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1jiq h GLN 11 CO 0.02 0.82 0.32 0.87 -0.67 0.00 0.00 178.83 180.18 1jiq h LYS 12 N 1.12 1.02 -0.27 1.46 1.57 -0.82 -0.82 116.57 119.84 1jiq h LYS 12 Ca 0.28 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1jiq h LYS 12 Cb 0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1jiq h LYS 12 CO -0.05 0.82 0.17 -0.07 -0.57 0.00 0.00 179.45 179.75 1jiq h LEU 13 N 0.98 0.29 -1.06 2.94 3.38 -0.69 0.22 115.31 121.37 1jiq h LEU 13 Ca 0.24 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1jiq h LEU 13 Cb 0.15 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1jiq h LEU 13 CO -0.03 0.21 0.45 1.56 0.09 0.00 0.00 178.44 180.72 1jiq h GLN 14 N 0.35 1.10 -0.22 1.13 4.20 -0.83 -1.04 115.11 119.79 1jiq h GLN 14 Ca 0.10 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1jiq h GLN 14 Cb -0.03 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.53 1jiq h GLN 14 CO -0.03 0.80 -0.17 1.96 -0.67 0.00 0.00 178.83 180.72 1jiq h GLN 15 N 1.11 0.50 -0.70 1.46 4.20 -0.88 -1.40 115.11 119.40 1jiq h GLN 15 Ca 0.28 -0.24 0.05 0.00 0.06 0.00 0.00 58.65 58.80 1jiq h GLN 15 Cb 0.01 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1jiq h GLN 15 CO -0.05 0.81 0.41 2.35 -0.67 0.00 0.00 178.83 181.68 1jiq h TRP 16 N 0.19 0.75 0.23 2.96 7.01 -0.65 -1.49 115.95 124.95 1jiq h TRP 16 Ca 0.04 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1jiq h TRP 16 Cb 0.70 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.52 1jiq h TRP 16 CO 0.07 0.38 -0.11 -0.92 -2.79 0.00 0.00 178.44 175.07 1jiq h TYR 17 N 0.76 -0.29 -0.94 2.65 3.20 -1.07 0.16 116.97 121.44 1jiq h TYR 17 Ca 0.30 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.26 1jiq h TYR 17 Cb 0.15 0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 1jiq h TYR 17 CO -0.06 -0.17 0.58 0.00 -1.64 0.00 0.00 178.16 176.87 1jiq h ARG 18 N -0.33 0.97 0.00 1.82 3.08 -0.97 -0.26 114.38 118.68 1jiq h ARG 18 Ca -0.03 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1jiq h ARG 18 Cb 0.26 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1jiq h ARG 18 CO 0.05 0.64 -0.65 -0.85 -1.07 0.00 0.00 179.97 178.09 1jiq n GLU 19 N -4.62 0.07 0.00 0.04 -0.00 -0.59 -4.47 120.64 111.08 1jiq n GLU 19 Ca 0.16 0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.33 1jiq n GLU 19 Cb 0.26 -1.53 0.00 0.00 -0.00 0.00 0.00 31.44 30.17 1jiq n GLU 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1jiq n HIS 20 N -1.63 0.00 -0.08 -1.84 8.25 0.53 -4.82 115.22 115.63 1jiq n HIS 20 Ca 0.05 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 1jiq n HIS 20 Cb 0.36 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.80 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 0.71 -0.13 -0.41 -0.00 -1.20 0.40 114.38 113.75 1jiq h ARG 21 Ca 0.00 -0.06 0.04 0.00 -0.00 0.00 0.00 59.98 59.95 1jiq h ARG 21 Cb 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 29.82 1jiq h ARG 21 CO 0.00 0.51 0.21 1.03 -0.00 0.00 0.00 179.97 181.72 1jiq h SER 22 N 0.72 0.00 0.08 0.08 0.87 -1.88 -1.14 113.55 112.28 1jiq h SER 22 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1jiq h SER 22 Cb -0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1jiq h SER 22 CO -0.03 0.00 -0.20 -0.62 -0.53 0.00 0.00 176.83 175.45 1jiq n GLU 23 N -3.47 1.32 -2.58 2.24 1.02 0.14 -4.85 120.64 114.46 1jiq n GLU 23 Ca 0.00 -0.91 -0.42 0.00 -0.02 0.00 0.00 57.16 55.82 1jiq n GLU 23 Cb 0.32 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1jiq n GLU 23 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jiq s LEU 24 N -2.30 3.36 -0.08 -4.62 1.02 -0.43 -4.97 118.68 110.66 1jiq s LEU 24 Ca 0.27 -0.17 -0.02 0.00 0.02 0.00 0.00 54.13 54.24 1jiq s LEU 24 Cb 0.20 -2.88 0.03 0.00 0.02 0.00 0.00 46.19 43.56 1jiq s LEU 24 CO 0.45 -1.63 0.01 0.21 0.02 0.00 0.00 176.35 175.41 1jiq s ASN 25 N 3.31 1.62 0.22 2.29 3.84 -1.26 -5.06 114.94 119.90 1jiq s ASN 25 Ca 0.39 -0.11 -0.08 0.00 0.21 0.00 0.00 52.86 53.26 1jiq s ASN 25 Cb -0.08 -0.42 0.19 0.00 -0.55 0.00 0.00 41.25 40.40 1jiq s ASN 25 CO 0.20 -0.21 1.88 -0.07 -2.79 0.00 0.00 177.10 176.11 1jiq h LEU 26 N 8.34 1.01 -0.47 3.21 3.38 -1.91 -1.39 115.31 127.48 1jiq h LEU 26 Ca -0.19 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1jiq h LEU 26 Cb 1.12 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 1jiq h LEU 26 CO 0.25 0.77 0.20 0.03 0.09 0.00 0.00 178.44 179.78 1jiq h ARG 27 N 1.17 0.38 -0.47 1.13 3.08 -1.92 -1.04 114.38 116.70 1jiq h ARG 27 Ca 0.31 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.22 1jiq h ARG 27 Cb -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1jiq h ARG 27 CO -0.06 0.25 -0.14 0.00 -1.07 0.00 0.00 179.97 178.95 1jiq h ARG 28 N 0.39 0.93 -0.38 0.04 3.08 -1.90 0.63 114.38 117.17 1jiq h ARG 28 Ca 0.22 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1jiq h ARG 28 Cb 0.18 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1jiq h ARG 28 CO -0.19 1.03 0.25 -0.07 -1.07 0.00 0.00 179.97 179.91 1jiq h LEU 29 N 0.78 0.45 -0.52 3.04 3.38 -0.92 0.15 115.31 121.66 1jiq h LEU 29 Ca 0.12 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1jiq h LEU 29 Cb 0.70 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1jiq h LEU 29 CO 0.05 0.33 -0.39 -0.26 0.09 0.00 0.00 178.44 178.26 1jiq h PHE 30 N 0.52 0.92 -0.53 1.13 -1.00 -1.06 -1.88 116.94 115.03 1jiq h PHE 30 Ca 0.14 -0.27 -0.03 0.00 2.81 0.00 0.00 57.97 60.62 1jiq h PHE 30 Cb -0.04 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 1jiq h PHE 30 CO -0.05 1.03 0.19 -0.44 -1.61 0.00 0.00 178.31 177.44 1jiq h ASP 31 N 0.63 0.70 0.82 2.17 3.45 -0.48 -3.02 116.42 120.69 1jiq h ASP 31 Ca 0.05 -0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1jiq h ASP 31 Cb 0.94 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 1jiq h ASP 31 CO 0.09 0.64 -0.37 0.00 -1.57 0.00 0.00 179.24 178.03 1jiq n ALA 32 N -2.46 2.96 -3.51 3.45 0.00 0.50 -4.70 120.51 116.75 1jiq n ALA 32 Ca 0.04 -0.23 -0.28 0.00 0.00 0.00 0.00 53.44 52.97 1jiq n ALA 32 Cb 0.17 -1.25 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.52 3.27 0.33 0.00 2.47 -0.73 -4.98 114.94 111.79 1jiq s ASN 33 Ca 0.10 -1.37 0.26 0.00 0.42 0.00 0.00 52.86 52.27 1jiq s ASN 33 Cb 0.16 -0.27 1.14 0.00 -1.45 0.00 0.00 41.25 40.83 1jiq s ASN 33 CO 0.66 -0.42 1.77 0.07 -3.72 0.00 0.00 177.10 175.46 1jiq h LYS 34 N 8.19 0.00 -0.52 0.43 2.10 -1.84 -1.83 116.57 123.10 1jiq h LYS 34 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1jiq h LYS 34 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1jiq h LYS 34 CO 0.40 0.00 0.00 -3.47 -2.00 0.00 0.00 179.45 174.38 1jiq n ASP 35 N -2.40 2.95 -0.27 7.07 4.64 -1.26 -4.54 116.55 122.75 1jiq n ASP 35 Ca 0.01 -1.98 -0.02 0.00 -1.38 0.00 0.00 54.79 51.42 1jiq n ASP 35 Cb 0.20 -0.35 0.10 0.00 -1.04 0.00 0.00 41.12 40.03 1jiq n ASP 35 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 1jiq h ARG 36 N 3.32 0.87 -0.22 -0.67 2.43 -1.69 -0.41 114.38 118.00 1jiq h ARG 36 Ca 0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1jiq h ARG 36 Cb 0.75 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1jiq h ARG 36 CO 0.00 0.58 0.12 0.35 -1.51 0.00 0.00 179.97 179.51 1jiq h PHE 37 N 0.90 0.31 -0.78 2.20 3.57 -1.84 -1.24 116.94 120.07 1jiq h PHE 37 Ca 0.31 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1jiq h PHE 37 Cb 0.06 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 1jiq h PHE 37 CO -0.04 0.27 0.47 -0.97 -2.23 0.00 0.00 178.31 175.81 1jiq h ASN 38 N 0.25 0.92 1.72 0.41 -1.24 -1.72 -2.66 115.58 113.26 1jiq h ASN 38 Ca 0.08 -0.05 -0.04 0.00 0.71 0.00 0.00 56.30 57.00 1jiq h ASN 38 Cb 0.06 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 1jiq h ASN 38 CO -0.01 0.70 -0.18 0.45 -1.29 0.00 0.00 177.43 177.10 1jiq h HIS 39 N 1.07 0.00 -0.87 0.67 3.86 -0.86 -3.35 115.15 115.67 1jiq h HIS 39 Ca 0.28 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.97 1jiq h HIS 39 Cb -0.05 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 27.99 1jiq h HIS 39 CO 0.00 0.18 -0.85 1.19 0.86 0.00 0.00 177.93 179.32 1jiq n PHE 40 N -3.16 2.67 -3.82 2.45 3.01 -0.49 -5.01 117.46 113.10 1jiq n PHE 40 Ca 0.03 -2.39 -0.11 0.00 1.01 0.00 0.00 57.45 55.98 1jiq n PHE 40 Cb 0.58 -0.28 -0.09 0.00 -0.01 0.00 0.00 39.48 39.68 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 -3.60 -0.04 -0.05 4.37 1.04 -1.09 -1.19 113.70 113.15 1jiq s SER 41 Ca 0.47 -0.19 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1jiq s SER 41 Cb 0.40 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1jiq s SER 41 CO -0.01 -0.48 -0.14 -0.22 0.98 0.00 0.00 173.24 173.37 1jiq s LEU 42 N -1.69 1.82 -0.17 2.42 0.20 -0.12 -4.96 118.68 116.19 1jiq s LEU 42 Ca -0.10 -0.30 -0.01 0.00 0.69 0.00 0.00 54.13 54.41 1jiq s LEU 42 Cb -0.04 -0.85 -0.00 0.00 -0.43 0.00 0.00 46.19 44.87 1jiq s LEU 42 CO -0.00 0.10 -0.13 0.42 -0.29 0.00 0.00 176.35 176.45 1jiq s THR 43 N 0.23 2.79 -0.12 3.68 -4.23 -1.26 -0.44 115.64 116.30 1jiq s THR 43 Ca -0.07 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1jiq s THR 43 Cb -0.12 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 1jiq s THR 43 CO 0.02 0.50 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.77 1jiq s LEU 44 N 0.94 3.10 -0.37 4.79 1.43 0.55 -4.97 118.68 124.15 1jiq s LEU 44 Ca -0.03 -0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1jiq s LEU 44 Cb -0.15 -1.71 0.06 0.00 0.03 0.00 0.00 46.19 44.42 1jiq s LEU 44 CO -0.01 0.23 0.17 0.21 0.23 0.00 0.00 176.35 177.18 1jiq s ASN 45 N -0.03 5.46 0.00 2.29 2.47 -1.26 -0.71 114.94 123.16 1jiq s ASN 45 Ca -0.00 -1.32 0.29 0.00 0.42 0.00 0.00 52.86 52.25 1jiq s ASN 45 Cb -0.13 -1.92 1.37 0.00 -1.45 0.00 0.00 41.25 39.12 1jiq s ASN 45 CO 0.03 -0.42 1.94 0.35 -3.72 0.00 0.00 177.10 175.28 1jiq n THR 46 N 4.85 0.00 -0.46 -5.21 -2.24 -0.58 -4.87 114.28 105.77 1jiq n THR 46 Ca -0.11 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1jiq n THR 46 Cb 0.44 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.83 0.00 -1.69 3.42 3.02 -1.26 -4.75 115.26 113.17 1jiq n ASN 47 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1jiq n ASN 47 Cb 0.25 -0.58 0.07 0.00 -0.61 0.00 0.00 39.78 38.90 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 0.62 0.00 3.10 8.25 -1.26 -5.08 115.22 118.85 1jiq n HIS 48 Ca 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 57.72 56.16 1jiq n HIS 48 Cb 0.00 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 30.90 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 -0.25 3.96 3.91 -1.41 0.00 -1.26 -4.76 105.19 105.38 1jiq n GLY 49 Ca 0.13 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.85 3.49 -0.14 1.61 3.76 -1.26 -1.52 115.29 119.38 1jiq s HIS 50 Ca 0.00 0.40 0.01 0.00 -0.15 0.00 0.00 55.06 55.32 1jiq s HIS 50 Cb 0.00 -1.88 0.02 0.00 1.11 0.00 0.00 32.58 31.83 1jiq s HIS 50 CO 0.00 0.50 -0.15 0.42 -0.85 0.00 0.00 174.74 174.66 1jiq s ILE 51 N -1.60 1.61 -0.34 0.60 1.01 0.12 -1.75 121.20 120.85 1jiq s ILE 51 Ca 0.38 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 1jiq s ILE 51 Cb -0.12 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 1jiq s ILE 51 CO 0.26 0.46 0.20 -0.22 0.00 0.00 0.00 174.94 175.65 1jiq s LEU 52 N 1.28 4.41 -0.54 2.97 2.96 0.16 -0.33 118.68 129.59 1jiq s LEU 52 Ca 0.01 -0.55 -0.13 0.00 -0.22 0.00 0.00 54.13 53.24 1jiq s LEU 52 Cb -0.14 -2.07 0.13 0.00 0.50 0.00 0.00 46.19 44.61 1jiq s LEU 52 CO -0.07 -0.25 0.46 -0.69 -1.32 0.00 0.00 176.35 174.48 1jiq s VAL 53 N 1.66 4.87 -0.48 1.68 1.01 0.42 -1.31 120.40 128.25 1jiq s VAL 53 Ca 0.05 -1.69 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 1jiq s VAL 53 Cb -0.18 -4.14 0.07 0.00 0.00 0.00 0.00 36.38 32.13 1jiq s VAL 53 CO 0.08 -0.85 0.47 -0.62 0.00 0.00 0.00 175.10 174.18 1jiq s ASP 54 N 3.13 6.17 -0.24 3.32 2.15 0.50 -0.94 116.67 130.76 1jiq s ASP 54 Ca 0.05 -1.17 0.13 0.00 0.43 0.00 0.00 52.55 51.99 1jiq s ASP 54 Cb -0.27 -2.22 0.55 0.00 -0.30 0.00 0.00 42.92 40.68 1jiq s ASP 54 CO 0.01 -0.72 1.49 0.00 -0.17 0.00 0.00 175.17 175.78 1jiq n TYR 55 N 5.52 1.22 0.22 -5.34 0.18 -0.33 -1.15 117.16 117.48 1jiq n TYR 55 Ca -0.10 -1.21 0.11 0.00 1.88 0.00 0.00 57.90 58.58 1jiq n TYR 55 Cb 0.44 -0.44 0.36 0.00 -0.38 0.00 0.00 39.34 39.32 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 1.54 0.00 -0.61 9.48 4.64 -1.61 -3.13 113.55 123.86 1jiq h SER 56 Ca 0.13 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.10 1jiq h SER 56 Cb 1.66 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.57 1jiq h SER 56 CO 0.37 0.15 0.45 0.29 -0.87 0.00 0.00 176.83 177.22 1jiq n LYS 57 N -3.21 1.86 -4.08 4.77 5.02 -1.26 -4.87 118.16 116.40 1jiq n LYS 57 Ca 0.02 -1.90 -0.27 0.00 -2.02 0.00 0.00 58.31 54.13 1jiq n LYS 57 Cb 0.48 -1.75 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 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 -0.38 5.47 -1.57 4.39 -0.87 -1.19 -1.26 114.94 119.53 1jiq s ASN 58 Ca 0.37 -0.13 -0.11 0.00 -1.57 0.00 0.00 52.86 51.42 1jiq s ASN 58 Cb 0.30 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.25 40.07 1jiq s ASN 58 CO 0.04 0.09 2.75 0.18 -2.57 0.00 0.00 177.10 177.59 1jiq n LEU 59 N -0.18 8.27 -4.10 0.60 4.77 -1.26 -4.84 117.00 120.25 1jiq n LEU 59 Ca -0.08 -4.35 -0.09 0.00 -0.03 0.00 0.00 56.01 51.46 1jiq n LEU 59 Cb 0.54 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.96 1jiq n LEU 59 CO 0.43 1.84 -0.37 0.68 -1.33 0.00 0.00 177.39 178.64 1jiq s VAL 60 N 2.19 0.37 0.46 4.08 -7.23 -1.26 -5.07 120.40 113.95 1jiq s VAL 60 Ca 0.63 -1.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.13 1jiq s VAL 60 Cb 0.17 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1jiq s VAL 60 CO -0.07 -0.86 0.07 0.42 -0.31 0.00 0.00 175.10 174.34 1jiq s THR 61 N -3.38 0.88 0.26 5.32 -4.23 -1.26 -5.00 115.64 108.24 1jiq s THR 61 Ca 0.05 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1jiq s THR 61 Cb 0.04 -2.24 0.27 0.00 1.34 0.00 0.00 72.50 71.91 1jiq s THR 61 CO -0.07 0.00 1.88 -0.33 -0.54 0.00 0.00 174.62 175.56 1jiq h GLU 62 N 1.55 1.12 -0.45 3.99 4.39 -2.00 -1.85 114.58 121.34 1jiq h GLU 62 Ca -0.40 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.18 1jiq h GLU 62 Cb 1.30 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.68 1jiq h GLU 62 CO 0.65 0.74 0.07 -0.44 -1.16 0.00 0.00 179.01 178.87 1jiq h ASP 63 N 1.15 0.72 -0.18 1.42 3.32 -1.99 -1.35 116.42 119.51 1jiq h ASP 63 Ca 0.43 -0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1jiq h ASP 63 Cb 0.19 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1jiq h ASP 63 CO -0.18 0.80 -0.03 0.58 -1.72 0.00 0.00 179.24 178.68 1jiq h VAL 64 N 0.61 0.84 -0.88 -1.35 2.07 -1.75 0.04 116.25 115.82 1jiq h VAL 64 Ca 0.14 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1jiq h VAL 64 Cb 0.39 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1jiq h VAL 64 CO 0.01 0.00 0.55 0.24 0.02 0.00 0.00 177.57 178.40 1jiq h MET 65 N 0.01 1.18 -0.46 1.57 2.86 -1.17 0.20 114.93 119.12 1jiq h MET 65 Ca 0.08 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1jiq h MET 65 Cb 0.12 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1jiq h MET 65 CO -0.17 0.81 0.28 -0.09 1.06 0.00 0.00 176.91 178.80 1jiq h ARG 66 N 1.21 0.63 -0.47 1.72 2.43 -0.68 -0.34 114.38 118.89 1jiq h ARG 66 Ca 0.32 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 1jiq h ARG 66 Cb -0.09 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1jiq h ARG 66 CO -0.06 0.46 0.04 0.52 -1.51 0.00 0.00 179.97 179.42 1jiq h MET 67 N 0.62 0.75 -0.47 0.20 2.86 -0.38 -0.78 114.93 117.72 1jiq h MET 67 Ca 0.17 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1jiq h MET 67 Cb -0.00 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1jiq h MET 67 CO -0.03 0.73 -0.21 -0.07 1.06 0.00 0.00 176.91 178.39 1jiq h LEU 68 N 0.71 1.00 -0.78 1.22 3.38 -0.48 -1.11 115.31 119.25 1jiq h LEU 68 Ca 0.15 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1jiq h LEU 68 Cb 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1jiq h LEU 68 CO 0.01 1.17 0.31 0.58 0.09 0.00 0.00 178.44 180.61 1jiq h VAL 69 N 0.82 1.26 -0.62 1.22 2.07 -0.78 -1.64 116.25 118.57 1jiq h VAL 69 Ca 0.11 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1jiq h VAL 69 Cb 0.78 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1jiq h VAL 69 CO 0.07 0.33 0.36 0.44 0.02 0.00 0.00 177.57 178.79 1jiq h ASP 70 N 1.13 0.75 -0.39 0.57 3.32 -0.84 -1.47 116.42 119.50 1jiq h ASP 70 Ca 0.26 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1jiq h ASP 70 Cb 0.21 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1jiq h ASP 70 CO -0.02 0.59 0.11 0.25 -1.72 0.00 0.00 179.24 178.45 1jiq h LEU 71 N 0.86 0.57 -1.14 1.55 5.85 -0.57 -0.99 115.31 121.45 1jiq h LEU 71 Ca 0.22 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1jiq h LEU 71 Cb -0.01 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 1jiq h LEU 71 CO -0.04 0.64 0.59 0.00 -0.34 0.00 0.00 178.44 179.29 1jiq h ALA 72 N 0.95 1.47 -0.22 1.25 0.00 -0.39 0.22 119.26 122.54 1jiq h ALA 72 Ca 0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1jiq h ALA 72 Cb 0.28 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jiq h ALA 72 CO -0.00 0.42 -0.28 0.87 0.00 0.00 0.00 179.25 180.26 1jiq h LYS 73 N 1.08 0.58 -0.45 0.00 1.57 -1.11 -1.88 116.57 116.35 1jiq h LYS 73 Ca 0.37 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1jiq h LYS 73 Cb 0.10 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1jiq h LYS 73 CO -0.12 0.93 0.08 1.03 -0.57 0.00 0.00 179.45 180.80 1jiq h SER 74 N 0.26 0.64 -0.03 0.86 0.87 -0.55 -1.79 113.55 113.82 1jiq h SER 74 Ca 0.03 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 1jiq h SER 74 Cb 0.85 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1jiq h SER 74 CO 0.07 0.66 0.00 0.54 -0.53 0.00 0.00 176.83 177.56 1jiq n ARG 75 N -4.29 1.25 -2.51 2.24 5.12 0.73 -4.94 116.66 114.28 1jiq n ARG 75 Ca 0.03 -0.37 -0.10 0.00 -1.93 0.00 0.00 57.85 55.48 1jiq n ARG 75 Cb 0.23 -1.42 0.01 0.00 -1.16 0.00 0.00 32.46 30.11 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 1.00 0.09 0.11 -0.13 0.00 -0.67 -4.80 105.19 100.79 1jiq n GLY 76 Ca 0.19 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.49 0.87 -0.45 1.61 2.07 -1.58 -1.46 116.25 116.83 1jiq h VAL 77 Ca -0.24 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1jiq h VAL 77 Cb 1.17 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1jiq h VAL 77 CO 0.27 0.02 0.26 -0.33 0.02 0.00 0.00 177.57 177.80 1jiq h GLU 78 N 0.09 0.62 -0.66 1.57 5.08 -1.92 0.33 114.58 119.69 1jiq h GLU 78 Ca 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1jiq h GLU 78 Cb 0.11 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1jiq h GLU 78 CO -0.15 0.47 0.39 0.00 -1.00 0.00 0.00 179.01 178.72 1jiq h ALA 79 N 1.12 0.84 -0.52 3.43 0.00 -1.94 -0.76 119.26 121.42 1jiq h ALA 79 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jiq h ALA 79 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1jiq h ALA 79 CO -0.03 0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.82 1jiq h ALA 80 N 1.20 0.67 -0.42 0.00 0.00 -0.83 -1.68 119.26 118.20 1jiq h ALA 80 Ca 0.24 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1jiq h ALA 80 Cb -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1jiq h ALA 80 CO -0.04 0.19 0.06 -0.09 0.00 0.00 0.00 179.25 179.38 1jiq h ARG 81 N 0.69 0.18 -0.89 0.00 2.43 -0.26 -1.49 114.38 115.04 1jiq h ARG 81 Ca 0.18 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1jiq h ARG 81 Cb 0.06 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 1jiq h ARG 81 CO -0.03 0.12 0.59 0.93 -1.51 0.00 0.00 179.97 180.07 1jiq h GLU 82 N 0.19 1.18 -0.68 0.20 4.39 -0.81 -1.73 114.58 117.32 1jiq h GLU 82 Ca 0.20 -0.08 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1jiq h GLU 82 Cb 0.26 -0.26 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1jiq h GLU 82 CO -0.28 0.79 0.44 0.00 -1.16 0.00 0.00 179.01 178.80 1jiq h ARG 83 N 1.22 0.87 0.41 2.33 3.08 -0.36 -0.47 114.38 121.46 1jiq h ARG 83 Ca 0.33 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 1jiq h ARG 83 Cb -0.13 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.73 1jiq h ARG 83 CO -0.07 0.58 -0.20 1.98 -1.07 0.00 0.00 179.97 181.19 1jiq h MET 84 N 0.90 -0.53 0.00 0.04 4.05 -0.59 -1.68 114.93 117.12 1jiq h MET 84 Ca 0.26 0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.68 1jiq h MET 84 Cb -0.07 0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1jiq h MET 84 CO -0.07 -0.34 -0.15 0.74 0.23 0.00 0.00 176.91 177.31 1jiq h PHE 85 N -0.58 0.00 -0.01 1.39 -1.00 -1.14 -2.02 116.94 113.59 1jiq h PHE 85 Ca -0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1jiq h PHE 85 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 1jiq h PHE 85 CO -0.04 0.15 -0.11 0.09 -1.61 0.00 0.00 178.31 176.79 1jiq n ASN 86 N -3.79 0.91 0.00 2.17 5.03 -0.20 -4.93 115.26 114.45 1jiq n ASN 86 Ca -0.02 -1.00 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1jiq n ASN 86 Cb 0.26 0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.04 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 1.24 0.55 3.81 7.41 0.00 -0.76 -4.44 105.19 113.00 1jiq n GLY 87 Ca 0.16 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.35 3.25 -1.39 1.61 2.02 -0.65 -4.73 118.70 117.47 1jiq s GLU 88 Ca 0.00 1.14 -0.13 0.00 0.02 0.00 0.00 54.97 56.00 1jiq s GLU 88 Cb 0.00 -2.03 0.09 0.00 0.10 0.00 0.00 34.13 32.29 1jiq s GLU 88 CO 0.00 -0.86 2.06 1.63 0.02 0.00 0.00 175.26 178.11 1jiq n LYS 89 N -2.26 3.13 0.10 1.61 5.02 -1.26 -4.20 118.16 120.30 1jiq n LYS 89 Ca 0.08 -2.97 0.13 0.00 -2.02 0.00 0.00 58.31 53.53 1jiq n LYS 89 Cb 0.53 -3.19 0.42 0.00 -0.02 0.00 0.00 35.03 32.77 1jiq n LYS 89 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1jiq n ILE 90 N 4.65 0.58 -2.63 -0.18 -5.35 -1.10 -3.91 119.36 111.41 1jiq n ILE 90 Ca 0.48 -0.25 -0.43 0.00 -0.27 0.00 0.00 62.75 62.27 1jiq n ILE 90 Cb 0.39 -0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 37.68 1jiq n ILE 90 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1jiq s ASN 91 N -4.45 6.78 0.31 7.28 3.84 -0.48 -4.83 114.94 123.38 1jiq s ASN 91 Ca 0.11 -2.26 0.15 0.00 0.21 0.00 0.00 52.86 51.07 1jiq s ASN 91 Cb 0.13 -2.55 0.41 0.00 -0.55 0.00 0.00 41.25 38.69 1jiq s ASN 91 CO 0.59 -1.20 1.61 0.10 -2.79 0.00 0.00 177.10 175.41 1jiq h TYR 92 N 8.11 0.00 0.00 0.43 -0.00 -1.82 -0.98 116.97 122.71 1jiq h TYR 92 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 59.05 1jiq h TYR 92 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.63 1jiq h TYR 92 CO 1.34 0.52 -0.19 1.79 -0.00 0.00 0.00 178.16 181.62 1jiq h THR 93 N 0.00 0.41 -0.12 -0.90 1.35 -1.93 -3.26 112.91 108.47 1jiq h THR 93 Ca -0.01 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 1jiq h THR 93 Cb 1.11 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1jiq h THR 93 CO 0.07 0.19 0.00 -0.62 -0.25 0.00 0.00 175.52 174.91 1jiq n GLU 94 N -3.25 1.30 -3.67 4.72 1.02 -1.15 -5.02 120.64 114.59 1jiq n GLU 94 Ca 0.01 -1.41 -0.22 0.00 -0.02 0.00 0.00 57.16 55.52 1jiq n GLU 94 Cb 0.48 -1.20 0.05 0.00 -0.02 0.00 0.00 31.44 30.75 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 0.47 -0.37 3.23 0.62 0.00 -0.47 -5.00 105.19 103.67 1jiq n GLY 95 Ca 0.07 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.98 0.97 0.94 1.61 0.52 -0.62 -4.99 118.95 111.40 1jiq s ARG 96 Ca 0.17 -1.12 -0.13 0.00 -0.52 0.00 0.00 55.73 54.13 1jiq s ARG 96 Cb -0.08 -0.98 0.16 0.00 0.52 0.00 0.00 34.95 34.56 1jiq s ARG 96 CO 0.79 0.21 1.14 0.00 0.02 0.00 0.00 175.30 177.46 1jiq s ALA 97 N -1.62 1.65 -0.29 2.13 0.00 -1.26 -1.39 121.76 120.98 1jiq s ALA 97 Ca 0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.41 1jiq s ALA 97 Cb -0.08 -3.02 0.10 0.00 0.00 0.00 0.00 23.12 20.12 1jiq s ALA 97 CO 0.03 -2.43 0.10 0.08 0.00 0.00 0.00 175.76 173.54 1jiq s VAL 98 N -3.27 0.57 -0.29 0.00 1.01 -1.26 -4.40 120.40 112.77 1jiq s VAL 98 Ca 0.65 -1.13 0.18 0.00 0.00 0.00 0.00 61.98 61.68 1jiq s VAL 98 Cb -0.14 -1.41 0.48 0.00 0.00 0.00 0.00 36.38 35.32 1jiq s VAL 98 CO 0.54 -0.64 1.09 0.18 0.00 0.00 0.00 175.10 176.26 1jiq n LEU 99 N 4.98 2.28 0.28 3.92 4.77 -0.20 -4.73 117.00 128.30 1jiq n LEU 99 Ca -0.04 -3.60 0.15 0.00 -0.03 0.00 0.00 56.01 52.49 1jiq n LEU 99 Cb 0.43 0.28 0.83 0.00 -2.33 0.00 0.00 43.42 42.62 1jiq n LEU 99 CO 0.09 1.40 1.04 1.12 -1.33 0.00 0.00 177.39 179.71 1jiq h HIS 100 N 2.63 0.00 0.00 -1.77 2.07 -1.88 -0.66 115.15 115.54 1jiq h HIS 100 Ca -0.02 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.45 1jiq h HIS 100 Cb 1.27 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.24 1jiq h HIS 100 CO 0.58 0.07 -0.24 -0.39 -3.07 0.00 0.00 177.93 174.88 1jiq h VAL 101 N 0.00 0.86 -0.26 6.12 -1.51 -1.95 -2.23 116.25 117.28 1jiq h VAL 101 Ca -0.00 -0.93 -0.11 0.00 -1.23 0.00 0.00 66.70 64.42 1jiq h VAL 101 Cb 0.23 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.94 1jiq h VAL 101 CO 0.01 0.24 -0.31 0.00 -1.23 0.00 0.00 177.57 176.27 1jiq h ALA 102 N 1.76 0.97 -0.43 5.19 0.00 -1.48 -2.67 119.26 122.59 1jiq h ALA 102 Ca -0.00 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.59 1jiq h ALA 102 Cb 0.53 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1jiq h ALA 102 CO 0.03 0.60 0.30 -0.07 0.00 0.00 0.00 179.25 180.11 1jiq h LEU 103 N 0.47 0.25 -3.17 0.00 3.38 -1.37 -2.41 115.31 112.45 1jiq h LEU 103 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1jiq h LEU 103 Cb 0.77 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1jiq h LEU 103 CO 0.06 0.16 -0.06 -2.11 0.09 0.00 0.00 178.44 176.58 1jiq n ARG 104 N -4.47 2.06 -2.04 1.13 0.00 -1.18 -4.90 116.66 107.27 1jiq n ARG 104 Ca 0.06 -2.87 -0.41 0.00 -0.00 0.00 0.00 57.85 54.63 1jiq n ARG 104 Cb 0.30 -1.71 -0.02 0.00 -0.00 0.00 0.00 32.46 31.03 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 -0.99 4.01 0.26 2.89 5.15 -0.91 -4.34 115.26 121.33 1jiq n ASN 105 Ca 0.22 -2.83 0.08 0.00 -0.60 0.00 0.00 54.58 51.45 1jiq n ASN 105 Cb 0.82 -1.64 0.63 0.00 -0.53 0.00 0.00 39.78 39.07 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 7.39 0.00 0.00 1.20 2.47 -1.89 -0.93 114.38 122.61 1jiq h ARG 106 Ca 0.45 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.17 1jiq h ARG 106 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 1jiq h ARG 106 CO 1.63 0.04 0.00 0.66 0.56 0.00 0.00 179.97 182.86 1jiq h SER 107 N 0.00 0.00 -0.89 7.04 4.64 -2.00 -3.46 113.55 118.88 1jiq h SER 107 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1jiq h SER 107 Cb 0.06 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.00 1jiq h SER 107 CO 0.00 0.00 -0.35 0.59 -0.87 0.00 0.00 176.83 176.21 1jiq n ASN 108 N -2.55 -5.45 -4.73 4.97 5.03 -0.36 -4.95 115.26 107.22 1jiq n ASN 108 Ca 0.01 0.46 -0.42 0.00 0.87 0.00 0.00 54.58 55.51 1jiq n ASN 108 Cb 0.24 -4.60 -0.02 0.00 -1.02 0.00 0.00 39.78 34.37 1jiq n ASN 108 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jiq s THR 109 N -2.63 2.05 0.29 3.41 2.01 -1.26 -4.88 115.64 114.62 1jiq s THR 109 Ca 0.00 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1jiq s THR 109 Cb 0.00 -3.02 -0.12 0.00 0.01 0.00 0.00 72.50 69.36 1jiq s THR 109 CO 0.00 0.00 1.47 -2.65 -0.69 0.00 0.00 174.62 172.75 1jiq n PRO 110 N 3.28 2.36 -3.96 4.92 -0.02 -1.26 -4.93 135.00 135.38 1jiq n PRO 110 Ca 0.13 0.84 -0.30 0.00 -2.02 0.00 0.00 63.50 62.15 1jiq n PRO 110 Cb 0.36 -2.53 -0.16 0.00 -0.02 0.00 0.00 33.50 31.15 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 -0.29 1.47 -0.08 4.25 1.01 -1.26 -5.03 121.20 121.26 1jiq s ILE 111 Ca 0.63 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 60.25 1jiq s ILE 111 Cb -0.56 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1jiq s ILE 111 CO 0.52 0.12 0.29 -0.76 0.00 0.00 0.00 174.94 175.11 1jiq s LEU 112 N 1.47 4.40 -0.09 2.97 1.43 -1.26 -0.67 118.68 126.93 1jiq s LEU 112 Ca -0.01 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1jiq s LEU 112 Cb -0.16 -2.35 0.02 0.00 0.03 0.00 0.00 46.19 43.73 1jiq s LEU 112 CO -0.08 0.31 -0.07 -0.69 0.23 0.00 0.00 176.35 176.05 1jiq s VAL 113 N -0.76 0.90 -1.48 -1.59 1.01 -0.06 -4.45 120.40 113.96 1jiq s VAL 113 Ca 0.19 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.84 1jiq s VAL 113 Cb -0.14 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.38 1jiq s VAL 113 CO 0.08 0.33 0.63 0.47 0.00 0.00 0.00 175.10 176.61 1jiq n ASP 114 N 4.56 -1.84 0.00 3.32 10.43 -1.26 -1.73 116.55 130.03 1jiq n ASP 114 Ca -0.16 -0.95 0.00 0.00 2.57 0.00 0.00 54.79 56.25 1jiq n ASP 114 Cb 0.51 -3.25 0.00 0.00 1.84 0.00 0.00 41.12 40.22 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 -1.75 0.69 2.99 0.44 0.00 -1.26 -5.04 105.19 101.26 1jiq n GLY 115 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.03 1.06 0.09 1.61 2.20 -0.71 -5.08 119.74 118.87 1jiq s LYS 116 Ca 0.00 -0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.01 1jiq s LYS 116 Cb 0.00 -0.97 -0.08 0.00 -1.51 0.00 0.00 37.83 35.27 1jiq s LYS 116 CO 0.00 0.07 1.46 0.34 -0.36 0.00 0.00 175.35 176.87 1jiq s ASP 117 N 0.37 6.76 0.12 1.43 2.15 -1.26 -0.88 116.67 125.35 1jiq s ASP 117 Ca -0.06 2.35 0.26 0.00 0.43 0.00 0.00 52.55 55.53 1jiq s ASP 117 Cb -0.11 -2.58 0.67 0.00 -0.30 0.00 0.00 42.92 40.61 1jiq s ASP 117 CO 0.01 -0.73 1.59 1.33 -0.17 0.00 0.00 175.17 177.20 1jiq n VAL 118 N 4.23 0.34 -0.26 1.11 0.24 0.16 -4.38 118.33 119.77 1jiq n VAL 118 Ca 0.13 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.34 62.17 1jiq n VAL 118 Cb 0.42 -0.30 0.05 0.00 -1.47 0.00 0.00 33.84 32.54 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 1.02 -0.70 7.34 2.86 -1.91 -1.72 114.93 121.82 1jiq h MET 119 Ca 0.00 -0.14 0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1jiq h MET 119 Cb 0.67 -0.19 -0.07 0.00 0.06 0.00 0.00 31.60 32.07 1jiq h MET 119 CO 0.00 0.79 0.34 -1.35 1.06 0.00 0.00 176.91 177.75 1jiq h PRO 120 N 0.99 0.55 -0.21 -0.22 0.11 -1.97 0.21 132.00 131.46 1jiq h PRO 120 Ca 0.25 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.14 1jiq h PRO 120 Cb 0.10 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1jiq h PRO 120 CO -0.03 0.36 -0.59 0.93 -0.21 0.00 0.00 178.00 178.46 1jiq h GLU 121 N 0.56 0.68 -0.27 1.05 4.39 -1.75 -0.31 114.58 118.94 1jiq h GLU 121 Ca 0.35 -0.46 0.05 0.00 0.34 0.00 0.00 59.36 59.64 1jiq h GLU 121 Cb 0.40 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 1jiq h GLU 121 CO -0.29 1.08 0.01 0.28 -1.16 0.00 0.00 179.01 178.93 1jiq h VAL 122 N 0.51 0.81 -0.09 3.13 2.07 -0.70 -2.20 116.25 119.79 1jiq h VAL 122 Ca -0.00 -0.03 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1jiq h VAL 122 Cb 1.17 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1jiq h VAL 122 CO 0.12 0.02 -0.44 0.78 0.02 0.00 0.00 177.57 178.07 1jiq h ASN 123 N 0.09 0.22 -0.51 0.57 2.35 -0.46 -1.99 115.58 115.86 1jiq h ASN 123 Ca 0.13 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1jiq h ASN 123 Cb 0.17 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1jiq h ASN 123 CO -0.21 0.64 0.29 0.50 -1.65 0.00 0.00 177.43 176.99 1jiq h LYS 124 N 0.18 0.71 -0.37 0.81 3.64 -0.74 0.74 116.57 121.54 1jiq h LYS 124 Ca 0.01 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1jiq h LYS 124 Cb 0.85 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1jiq h LYS 124 CO 0.07 0.54 -0.02 0.28 -2.27 0.00 0.00 179.45 178.05 1jiq h VAL 125 N 0.68 1.26 -0.91 2.00 2.07 -1.18 -1.41 116.25 118.76 1jiq h VAL 125 Ca 0.18 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.72 1jiq h VAL 125 Cb 0.03 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1jiq h VAL 125 CO -0.03 0.34 0.58 -0.07 0.02 0.00 0.00 177.57 178.41 1jiq h LEU 126 N 0.48 0.94 -0.78 2.57 3.38 -1.11 0.11 115.31 120.90 1jiq h LEU 126 Ca 0.10 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1jiq h LEU 126 Cb 0.50 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1jiq h LEU 126 CO 0.02 0.61 0.38 0.44 0.09 0.00 0.00 178.44 179.99 1jiq h ASP 127 N 1.08 1.01 -0.60 -0.43 3.32 -0.55 0.01 116.42 120.26 1jiq h ASP 127 Ca 0.38 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.26 1jiq h ASP 127 Cb 0.11 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1jiq h ASP 127 CO -0.15 0.86 0.21 0.50 -1.72 0.00 0.00 179.24 178.94 1jiq h LYS 128 N 1.09 0.92 -0.19 3.56 3.64 -0.35 -2.01 116.57 123.23 1jiq h LYS 128 Ca 0.27 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1jiq h LYS 128 Cb 0.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1jiq h LYS 128 CO -0.03 0.80 0.09 0.52 -2.27 0.00 0.00 179.45 178.55 1jiq h MET 129 N 0.85 0.19 -0.26 1.90 2.86 -0.21 -1.59 114.93 118.66 1jiq h MET 129 Ca 0.20 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.88 1jiq h MET 129 Cb 0.25 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 1jiq h MET 129 CO -0.01 0.12 -0.04 -0.22 1.06 0.00 0.00 176.91 177.83 1jiq h LYS 130 N 0.19 0.03 -0.21 1.72 3.64 -0.78 -0.21 116.57 120.97 1jiq h LYS 130 Ca 0.08 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1jiq h LYS 130 Cb 0.02 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1jiq h LYS 130 CO -0.06 0.02 0.12 1.03 -2.27 0.00 0.00 179.45 178.30 1jiq h SER 131 N 0.04 0.20 -0.32 4.20 0.87 -1.21 -1.26 113.55 116.08 1jiq h SER 131 Ca 0.13 -0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1jiq h SER 131 Cb 0.18 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 1jiq h SER 131 CO -0.24 0.15 0.13 0.15 -0.53 0.00 0.00 176.83 176.48 1jiq h PHE 132 N 0.25 0.23 -0.94 2.24 3.57 -0.97 -1.25 116.94 120.08 1jiq h PHE 132 Ca 0.08 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1jiq h PHE 132 Cb -0.01 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1jiq h PHE 132 CO -0.07 0.11 0.57 0.00 -2.23 0.00 0.00 178.31 176.69 1jiq h GLN 134 N 1.30 0.53 -0.31 0.00 -0.00 -0.80 0.13 115.11 115.96 1jiq h GLN 134 Ca 0.34 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 58.88 1jiq h GLN 134 Cb -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.32 1jiq h GLN 134 CO -0.06 0.53 0.17 0.00 0.00 0.00 0.00 178.83 179.47 1jiq h ARG 135 N 0.42 0.42 0.13 1.69 3.08 -0.79 -1.30 114.38 118.04 1jiq h ARG 135 Ca 0.12 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1jiq h ARG 135 Cb 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1jiq h ARG 135 CO -0.01 0.35 -0.06 0.28 -1.07 0.00 0.00 179.97 179.46 1jiq h VAL 136 N 0.38 1.02 -0.56 2.04 2.07 -0.89 -0.91 116.25 119.39 1jiq h VAL 136 Ca 0.11 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1jiq h VAL 136 Cb 0.05 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1jiq h VAL 136 CO -0.02 0.17 0.07 0.03 0.02 0.00 0.00 177.57 177.84 1jiq h ARG 137 N -0.53 0.91 0.00 1.57 3.08 -0.97 -2.67 114.38 115.77 1jiq h ARG 137 Ca -0.02 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.80 1jiq h ARG 137 Cb 0.42 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1jiq h ARG 137 CO 0.03 0.87 0.00 0.66 -1.07 0.00 0.00 179.97 180.46 1jiq h SER 138 N 0.86 0.00 0.00 7.04 4.64 -1.31 -3.47 113.55 121.31 1jiq h SER 138 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1jiq h SER 138 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1jiq h SER 138 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1jiq n GLY 139 N -0.07 0.71 0.32 -0.77 0.00 -1.01 -4.95 105.19 99.42 1jiq n GLY 139 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 0.97 -3.12 1.61 -0.00 -1.59 -3.41 116.42 110.87 1jiq h ASP 140 Ca 0.00 -0.07 -0.57 0.00 -0.00 0.00 0.00 57.03 56.39 1jiq h ASP 140 Cb 0.00 -0.24 -0.05 0.00 -0.00 0.00 0.00 39.33 39.03 1jiq h ASP 140 CO 0.00 0.76 0.90 0.86 -0.00 0.00 0.00 179.24 181.76 1jiq s TRP 141 N -5.94 2.91 0.04 0.28 -0.11 -0.42 -5.00 118.94 110.69 1jiq s TRP 141 Ca -0.13 1.05 0.01 0.00 1.22 0.00 0.00 56.10 58.25 1jiq s TRP 141 Cb 0.15 -3.68 -0.04 0.00 -1.50 0.00 0.00 33.47 28.40 1jiq s TRP 141 CO 0.80 -1.34 0.11 0.15 -4.62 0.00 0.00 176.95 172.05 1jiq s LYS 142 N 3.77 3.09 1.08 5.86 -0.14 -1.26 -4.16 119.74 127.98 1jiq s LYS 142 Ca 0.52 -0.54 -0.18 0.00 -1.36 0.00 0.00 55.97 54.41 1jiq s LYS 142 Cb -0.17 -2.86 0.25 0.00 -1.68 0.00 0.00 37.83 33.38 1jiq s LYS 142 CO 0.17 0.61 1.27 0.20 -0.76 0.00 0.00 175.35 176.85 1jiq s GLY 143 N -2.11 1.74 0.62 -3.33 0.00 0.74 -4.85 107.32 100.13 1jiq s GLY 143 Ca 0.27 -1.23 0.40 0.00 0.00 0.00 0.00 44.72 44.16 1jiq s GLY 143 CO 0.19 -0.37 2.25 0.10 0.00 0.00 0.00 173.10 175.28 1jiq h TYR 144 N -2.09 0.00 -0.41 1.90 -0.00 -1.88 -0.23 116.97 114.25 1jiq h TYR 144 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 1jiq h TYR 144 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.97 1jiq h TYR 144 CO -1.87 0.01 0.00 0.25 -0.00 0.00 0.00 178.16 176.56 1jiq n THR 145 N -3.20 2.01 -0.94 -0.90 -2.24 -1.26 -4.97 114.28 102.79 1jiq n THR 145 Ca -0.02 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 1jiq n THR 145 Cb 0.14 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.35 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 0.22 0.48 3.93 3.38 0.00 -0.10 -5.06 105.19 108.05 1jiq n GLY 146 Ca 0.21 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.90 3.51 0.61 1.61 1.02 -1.26 -4.72 119.74 119.61 1jiq s LYS 147 Ca 0.00 -0.24 -0.14 0.00 0.02 0.00 0.00 55.97 55.62 1jiq s LYS 147 Cb 0.00 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1jiq s LYS 147 CO 0.00 0.13 1.04 0.95 -0.92 0.00 0.00 175.35 176.55 1jiq s THR 148 N -2.31 4.23 -0.09 2.17 -4.23 -1.26 -0.19 115.64 113.96 1jiq s THR 148 Ca 0.41 0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 61.52 1jiq s THR 148 Cb -0.10 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 1jiq s THR 148 CO 0.36 -0.78 1.07 -0.63 -0.54 0.00 0.00 174.62 174.09 1jiq s ILE 149 N -2.81 4.62 -0.21 2.99 -1.09 -1.26 -4.61 121.20 118.83 1jiq s ILE 149 Ca 0.59 1.90 0.11 0.00 -2.23 0.00 0.00 60.65 61.02 1jiq s ILE 149 Cb -0.13 -4.22 -0.15 0.00 -1.58 0.00 0.00 42.46 36.38 1jiq s ILE 149 CO 0.44 0.00 0.32 0.35 -1.23 0.00 0.00 174.94 174.82 1jiq n THR 150 N 4.57 0.00 -3.83 2.92 -2.24 0.16 -4.77 114.28 111.10 1jiq n THR 150 Ca 0.09 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 1jiq n THR 150 Cb 0.48 0.55 -0.16 0.00 -2.10 0.00 0.00 70.33 69.10 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 -2.74 0.13 -0.12 3.42 1.11 -1.03 -1.63 116.67 115.81 1jiq s ASP 151 Ca -0.01 0.02 0.00 0.00 0.18 0.00 0.00 52.55 52.74 1jiq s ASP 151 Cb 0.07 -0.08 -0.01 0.00 1.07 0.00 0.00 42.92 43.97 1jiq s ASP 151 CO 0.44 -0.10 -0.14 -0.69 1.18 0.00 0.00 175.17 175.86 1jiq s VAL 152 N 0.84 2.93 -0.26 -1.27 1.01 -0.09 -0.68 120.40 122.87 1jiq s VAL 152 Ca -0.07 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1jiq s VAL 152 Cb -0.10 -2.22 0.06 0.00 0.00 0.00 0.00 36.38 34.12 1jiq s VAL 152 CO -0.02 0.53 -0.10 -0.63 0.00 0.00 0.00 175.10 174.87 1jiq s ILE 153 N 0.32 2.14 -0.10 2.22 1.09 0.95 -0.89 121.20 126.93 1jiq s ILE 153 Ca -0.11 -1.63 -0.26 0.00 -1.10 0.00 0.00 60.65 57.54 1jiq s ILE 153 Cb -0.16 -2.27 -0.02 0.00 -1.06 0.00 0.00 42.46 38.95 1jiq s ILE 153 CO 0.06 -0.04 0.83 0.21 -0.10 0.00 0.00 174.94 175.89 1jiq s ASN 154 N 1.11 7.06 -0.23 3.58 3.84 0.57 -0.77 114.94 130.09 1jiq s ASN 154 Ca -0.09 1.29 0.00 0.00 0.21 0.00 0.00 52.86 54.27 1jiq s ASN 154 Cb -0.20 -2.47 0.03 0.00 -0.55 0.00 0.00 41.25 38.06 1jiq s ASN 154 CO -0.05 -0.29 -0.12 -0.63 -2.79 0.00 0.00 177.10 173.22 1jiq s ILE 155 N 1.52 2.44 -0.11 -5.21 1.01 0.27 -1.06 121.20 120.07 1jiq s ILE 155 Ca 0.41 -1.14 -0.33 0.00 0.00 0.00 0.00 60.65 59.60 1jiq s ILE 155 Cb -0.18 -2.22 0.13 0.00 0.01 0.00 0.00 42.46 40.20 1jiq s ILE 155 CO 0.17 0.26 1.16 -0.83 0.00 0.00 0.00 174.94 175.70 1jiq s GLY 156 N 1.26 -0.34 0.31 6.18 0.00 -1.02 -0.70 107.32 113.00 1jiq s GLY 156 Ca -0.00 1.26 0.10 0.00 0.00 0.00 0.00 44.72 46.08 1jiq s GLY 156 CO -0.07 0.40 -0.09 -0.26 0.00 0.00 0.00 173.10 173.07 1jiq s ILE 157 N -2.58 2.63 0.00 0.90 -4.36 -1.26 -4.05 121.20 112.48 1jiq s ILE 157 Ca 0.10 -2.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 1jiq s ILE 157 Cb 0.00 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.13 1jiq s ILE 157 CO -0.05 -0.31 0.00 0.61 0.24 0.00 0.00 174.94 175.44 1jiq n GLY 158 N -0.78 3.40 0.10 6.27 0.00 -1.26 -1.37 105.19 111.55 1jiq n GLY 158 Ca -0.05 0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1jiq n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiq n GLY 159 N 0.00 -1.12 0.27 -0.02 0.00 -1.26 -1.25 105.19 101.81 1jiq n GLY 159 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1jiq n GLY 159 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jiq n SER 160 N -2.07 0.89 0.03 1.61 7.64 -0.47 -4.46 113.62 116.80 1jiq n SER 160 Ca 0.02 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1jiq n SER 160 Cb 0.17 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.42 0.43 -0.27 6.43 2.03 -0.38 -4.55 116.55 119.83 1jiq n ASP 161 Ca 0.18 0.09 -0.05 0.00 0.52 0.00 0.00 54.79 55.53 1jiq n ASP 161 Cb 0.28 -0.10 0.06 0.00 -0.72 0.00 0.00 41.12 40.64 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 0.89 0.83 -2.67 3.38 -1.40 -1.91 115.31 114.43 1jiq h LEU 162 Ca 0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1jiq h LEU 162 Cb 0.45 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1jiq h LEU 162 CO 0.00 0.70 -0.40 1.23 0.09 0.00 0.00 178.44 180.06 1jiq h GLY 163 N 1.00 -1.16 0.21 0.83 0.00 -1.82 0.32 103.07 102.45 1jiq h GLY 163 Ca 0.26 0.43 0.15 0.00 0.00 0.00 0.00 47.33 48.17 1jiq h GLY 163 CO -0.05 -0.42 0.44 -2.55 0.00 0.00 0.00 176.54 173.96 1jiq h PRO 164 N -1.22 0.61 0.24 4.80 0.11 -1.87 -0.36 132.00 134.30 1jiq h PRO 164 Ca -0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1jiq h PRO 164 Cb 0.86 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1jiq h PRO 164 CO 0.19 0.40 -0.11 1.25 -0.21 0.00 0.00 178.00 179.51 1jiq h LEU 165 N 0.62 -0.27 -0.67 2.35 6.46 -1.32 -1.09 115.31 121.39 1jiq h LEU 165 Ca 0.47 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 58.12 1jiq h LEU 165 Cb 0.67 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1jiq h LEU 165 CO -0.37 -0.04 0.44 -0.03 -0.62 0.00 0.00 178.44 177.82 1jiq h MET 166 N -0.50 0.86 -0.11 1.25 4.05 -0.49 -1.23 114.93 118.76 1jiq h MET 166 Ca -0.03 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.31 1jiq h MET 166 Cb 0.37 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1jiq h MET 166 CO 0.05 0.57 -0.05 0.28 0.23 0.00 0.00 176.91 177.99 1jiq h VAL 167 N 0.89 1.32 -0.57 -5.77 2.07 -1.05 0.03 116.25 113.16 1jiq h VAL 167 Ca 0.25 -1.07 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1jiq h VAL 167 Cb -0.08 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1jiq h VAL 167 CO -0.06 0.30 0.35 0.71 0.02 0.00 0.00 177.57 178.89 1jiq h THR 168 N -0.12 1.16 -0.42 2.57 1.35 -1.10 0.15 112.91 116.50 1jiq h THR 168 Ca 0.02 -0.34 -0.04 0.00 -0.55 0.00 0.00 66.41 65.51 1jiq h THR 168 Cb 0.50 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 1jiq h THR 168 CO 0.02 0.16 0.12 -0.33 -0.25 0.00 0.00 175.52 175.24 1jiq h GLU 169 N 0.78 0.65 -0.05 4.72 4.39 -1.02 -2.52 114.58 121.54 1jiq h GLU 169 Ca 0.21 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.66 1jiq h GLU 169 Cb -0.04 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1jiq h GLU 169 CO -0.04 0.65 -0.44 0.00 -1.16 0.00 0.00 179.01 178.02 1jiq h ALA 170 N 0.97 1.19 -0.54 3.43 0.00 -0.36 -3.20 119.26 120.75 1jiq h ALA 170 Ca 0.13 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 1jiq h ALA 170 Cb 0.28 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 17.86 1jiq h ALA 170 CO -0.00 0.58 0.15 1.28 0.00 0.00 0.00 179.25 181.25 1jiq n LEU 171 N -4.01 4.98 -0.33 0.00 4.77 0.48 -4.73 117.00 118.16 1jiq n LEU 171 Ca -0.02 -3.48 0.10 0.00 -0.03 0.00 0.00 56.01 52.58 1jiq n LEU 171 Cb 0.48 -0.68 0.30 0.00 -2.33 0.00 0.00 43.42 41.19 1jiq n LEU 171 CO 0.41 1.01 1.22 0.50 -1.33 0.00 0.00 177.39 179.21 1jiq h LYS 172 N 1.49 0.84 0.00 3.23 1.63 -1.45 0.80 116.57 123.11 1jiq h LYS 172 Ca 0.27 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1jiq h LYS 172 Cb 1.99 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.43 1jiq h LYS 172 CO 0.57 0.56 0.00 -2.30 -3.45 0.00 0.00 179.45 174.82 1jiq n PRO 173 N -4.62 0.08 -0.36 1.90 -0.02 -1.26 -2.12 135.00 128.60 1jiq n PRO 173 Ca 0.19 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 1jiq n PRO 173 Cb 0.42 -1.73 0.31 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.90 0.95 -0.59 6.00 4.02 0.27 -4.44 117.16 121.48 1jiq n TYR 174 Ca 0.00 -0.47 0.10 0.00 -0.01 0.00 0.00 57.90 57.52 1jiq n TYR 174 Cb 0.08 0.00 0.36 0.00 -0.02 0.00 0.00 39.34 39.76 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 1.58 4.71 -4.72 7.72 3.41 -0.90 -4.46 113.62 120.96 1jiq n SER 175 Ca 0.24 -2.38 -0.42 0.00 -0.26 0.00 0.00 58.87 56.05 1jiq n SER 175 Cb 0.60 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 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 1.26 3.83 0.00 4.04 2.88 -1.26 -1.72 113.62 122.65 1jiq n SER 176 Ca 0.26 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1jiq n SER 176 Cb 0.86 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 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 3.27 1.20 3.96 0.46 0.00 -1.26 -5.01 105.19 107.81 1jiq n GLY 177 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.78 1.24 0.78 -0.02 0.00 -0.70 -4.92 107.32 101.92 1jiq s GLY 178 Ca 0.00 -1.23 -0.11 0.00 0.00 0.00 0.00 44.72 43.38 1jiq s GLY 178 CO 0.00 -1.25 1.09 2.56 0.00 0.00 0.00 173.10 175.49 1jiq s PRO 179 N -3.94 2.19 0.53 2.90 0.04 -1.26 -4.99 135.00 130.46 1jiq s PRO 179 Ca 0.34 1.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.18 1jiq s PRO 179 Cb -0.09 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1jiq s PRO 179 CO 0.29 -1.65 1.33 1.03 0.04 0.00 0.00 177.00 178.04 1jiq s ARG 180 N -4.96 3.24 -0.05 4.56 0.52 -0.64 -4.70 118.95 116.92 1jiq s ARG 180 Ca 0.61 2.17 0.04 0.00 -0.52 0.00 0.00 55.73 58.03 1jiq s ARG 180 Cb -0.16 -2.29 -0.02 0.00 0.52 0.00 0.00 34.95 33.00 1jiq s ARG 180 CO 0.56 -1.09 -0.17 0.14 0.02 0.00 0.00 175.30 174.76 1jiq s VAL 181 N -1.34 2.80 0.00 3.52 -7.23 -1.26 -0.92 120.40 115.97 1jiq s VAL 181 Ca 0.70 -0.81 0.06 0.00 -1.81 0.00 0.00 61.98 60.12 1jiq s VAL 181 Cb -0.39 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1jiq s VAL 181 CO 0.46 0.58 -0.19 0.26 -0.31 0.00 0.00 175.10 175.90 1jiq s TRP 182 N -0.54 1.72 -0.16 2.82 0.52 -0.07 -4.98 118.94 118.26 1jiq s TRP 182 Ca 0.07 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1jiq s TRP 182 Cb -0.11 -1.08 0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1jiq s TRP 182 CO 0.01 0.00 -0.21 0.71 0.02 0.00 0.00 176.95 177.49 1jiq s TYR 183 N -0.55 2.67 -0.19 -1.98 1.51 -1.26 -0.32 117.35 117.23 1jiq s TYR 183 Ca 0.07 -1.46 0.01 0.00 -1.01 0.00 0.00 57.07 54.68 1jiq s TYR 183 Cb -0.08 -1.84 0.02 0.00 -0.11 0.00 0.00 41.96 39.95 1jiq s TYR 183 CO -0.00 -0.70 -0.18 0.08 -1.11 0.00 0.00 175.55 173.64 1jiq s VAL 184 N 1.06 2.17 0.00 0.71 1.01 -0.22 -4.98 120.40 120.14 1jiq s VAL 184 Ca -0.01 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1jiq s VAL 184 Cb -0.14 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1jiq s VAL 184 CO -0.07 0.49 0.00 -1.54 0.00 0.00 0.00 175.10 173.98 1jiq n SER 185 N 4.62 1.35 -4.76 3.32 3.41 -1.26 -2.44 113.62 117.87 1jiq n SER 185 Ca -0.20 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.00 1jiq n SER 185 Cb 0.49 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.42 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 -3.69 6.78 0.46 4.04 3.84 -1.26 -4.65 114.94 120.47 1jiq s ASN 186 Ca 0.00 2.63 0.22 0.00 0.21 0.00 0.00 52.86 55.92 1jiq s ASN 186 Cb 0.00 -2.64 1.13 0.00 -0.55 0.00 0.00 41.25 39.19 1jiq s ASN 186 CO 0.00 -0.55 1.96 -0.29 -2.79 0.00 0.00 177.10 175.43 1jiq h ILE 187 N 3.23 0.81 -1.01 -5.21 6.09 -1.98 -3.43 117.51 116.01 1jiq h ILE 187 Ca -0.48 -0.84 -0.79 0.00 -1.37 0.00 0.00 64.86 61.39 1jiq h ILE 187 Cb 1.22 1.50 -0.00 0.00 0.47 0.00 0.00 36.82 40.01 1jiq h ILE 187 CO 0.69 0.21 0.96 -0.67 -3.07 0.00 0.00 178.15 176.27 1jiq n ASP 188 N -3.79 1.63 0.18 2.19 4.64 -1.26 -4.78 116.55 115.36 1jiq n ASP 188 Ca -0.02 0.97 0.18 0.00 -1.38 0.00 0.00 54.79 54.54 1jiq n ASP 188 Cb 0.31 -1.01 0.81 0.00 -1.04 0.00 0.00 41.12 40.19 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 7.29 0.00 -0.08 0.27 0.00 -2.02 0.09 103.07 108.62 1jiq h GLY 189 Ca -0.37 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.18 1jiq h GLY 189 CO 1.00 0.00 0.48 -0.84 0.00 0.00 0.00 176.54 177.18 1jiq h THR 190 N 0.00 0.56 0.38 4.70 2.02 -1.94 -0.50 112.91 118.13 1jiq h THR 190 Ca 0.11 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1jiq h THR 190 Cb 0.59 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1jiq h THR 190 CO -0.00 0.10 -0.18 -0.74 0.37 0.00 0.00 175.52 175.06 1jiq h HIS 191 N 0.52 -0.48 -0.39 3.16 2.76 -1.26 -0.89 115.15 118.57 1jiq h HIS 191 Ca 0.57 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.59 1jiq h HIS 191 Cb 1.03 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 1jiq h HIS 191 CO -0.08 -0.21 -0.29 0.97 -1.30 0.00 0.00 177.93 177.03 1jiq h ILE 192 N -0.67 1.28 -0.16 6.26 6.09 -1.71 -2.92 117.51 125.67 1jiq h ILE 192 Ca -0.05 -1.45 0.01 0.00 -1.37 0.00 0.00 64.86 61.99 1jiq h ILE 192 Cb 0.48 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 1jiq h ILE 192 CO 0.09 0.48 0.09 0.00 -3.07 0.00 0.00 178.15 175.74 1jiq h ALA 193 N 0.79 0.20 0.00 0.18 0.00 -0.99 0.33 119.26 119.77 1jiq h ALA 193 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1jiq h ALA 193 Cb 0.87 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1jiq h ALA 193 CO 0.08 -0.34 -0.29 1.57 0.00 0.00 0.00 179.25 180.27 1jiq h LYS 194 N 0.19 0.00 0.03 0.00 2.10 -1.23 -2.15 116.57 115.51 1jiq h LYS 194 Ca 0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 1jiq h LYS 194 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jiq h LYS 194 CO -0.04 0.29 -0.01 1.15 -2.00 0.00 0.00 179.45 178.84 1jiq h THR 195 N 0.00 1.40 -0.36 0.07 2.02 -1.22 -3.32 112.91 111.50 1jiq h THR 195 Ca -0.00 -1.64 0.02 0.00 0.77 0.00 0.00 66.41 65.55 1jiq h THR 195 Cb 0.67 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1jiq h THR 195 CO 0.04 0.40 0.24 -0.07 0.37 0.00 0.00 175.52 176.50 1jiq h LEU 196 N -0.79 0.37 -2.56 2.58 3.38 -0.83 -1.69 115.31 115.76 1jiq h LEU 196 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jiq h LEU 196 Cb 0.69 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jiq h LEU 196 CO 0.01 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1jiq h ALA 197 N 1.79 1.00 -0.46 1.53 0.00 -1.49 -1.87 119.26 119.76 1jiq h ALA 197 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jiq h ALA 197 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jiq h ALA 197 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.26 1jiq n GLN 198 N -2.96 2.51 -4.39 0.00 6.02 -0.63 -5.01 117.38 112.91 1jiq n GLN 198 Ca -0.02 -2.25 -0.26 0.00 -0.01 0.00 0.00 57.00 54.46 1jiq n GLN 198 Cb 0.10 -1.44 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.14 2.64 -0.23 1.08 1.43 -0.71 -5.12 118.68 116.64 1jiq s LEU 199 Ca 0.35 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.57 1jiq s LEU 199 Cb 0.19 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1jiq s LEU 199 CO 0.26 0.09 0.03 0.21 0.23 0.00 0.00 176.35 177.17 1jiq s ASN 200 N -2.96 4.92 0.55 2.29 3.84 -1.26 -4.99 114.94 117.34 1jiq s ASN 200 Ca 0.24 -0.22 0.23 0.00 0.21 0.00 0.00 52.86 53.32 1jiq s ASN 200 Cb -0.07 -1.87 1.52 0.00 -0.55 0.00 0.00 41.25 40.28 1jiq s ASN 200 CO 0.13 0.01 2.15 -0.65 -2.79 0.00 0.00 177.10 175.95 1jiq h PRO 201 N 7.93 0.00 0.00 0.43 0.11 -1.95 -1.72 132.00 136.80 1jiq h PRO 201 Ca -0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1jiq h PRO 201 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jiq h PRO 201 CO 0.60 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.25 1jiq h GLU 202 N 0.00 0.00 0.00 1.05 5.08 -1.97 -3.29 114.58 115.44 1jiq h GLU 202 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1jiq h GLU 202 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1jiq h GLU 202 CO -0.00 0.07 -0.28 -1.13 -1.00 0.00 0.00 179.01 176.67 1jiq n SER 203 N -3.20 1.29 -4.45 1.42 3.41 -0.68 -4.36 113.62 107.06 1jiq n SER 203 Ca 0.00 -2.64 -0.33 0.00 -0.26 0.00 0.00 58.87 55.65 1jiq n SER 203 Cb 0.34 -0.33 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.09 4.10 -0.15 4.04 0.01 -1.02 -0.66 113.70 117.93 1jiq s SER 204 Ca 0.19 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1jiq s SER 204 Cb 0.17 -1.18 0.01 0.00 0.21 0.00 0.00 66.02 65.23 1jiq s SER 204 CO 0.00 0.28 -0.19 -0.22 0.41 0.00 0.00 173.24 173.52 1jiq s LEU 205 N -0.31 2.23 -0.11 2.44 2.96 0.14 -4.77 118.68 121.26 1jiq s LEU 205 Ca 0.03 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.27 1jiq s LEU 205 Cb -0.13 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1jiq s LEU 205 CO 0.03 0.06 0.20 -0.36 -1.32 0.00 0.00 176.35 174.95 1jiq s PHE 206 N 0.93 3.58 -0.28 5.38 0.40 0.80 -0.03 117.98 128.76 1jiq s PHE 206 Ca -0.04 0.59 -0.00 0.00 -0.60 0.00 0.00 56.93 56.87 1jiq s PHE 206 Cb -0.15 -2.07 0.05 0.00 0.51 0.00 0.00 43.02 41.37 1jiq s PHE 206 CO -0.04 0.61 -0.04 0.42 0.70 0.00 0.00 175.22 176.88 1jiq s ILE 207 N -0.71 2.73 -0.46 0.64 1.01 0.05 -1.01 121.20 123.45 1jiq s ILE 207 Ca 0.16 -1.43 -0.19 0.00 0.00 0.00 0.00 60.65 59.18 1jiq s ILE 207 Cb -0.13 -2.56 0.04 0.00 0.01 0.00 0.00 42.46 39.82 1jiq s ILE 207 CO 0.05 -0.06 0.58 -0.63 0.00 0.00 0.00 174.94 174.88 1jiq s ILE 208 N 1.21 4.91 -0.53 2.92 -1.09 0.52 -0.56 121.20 128.58 1jiq s ILE 208 Ca -0.06 -0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 57.97 1jiq s ILE 208 Cb -0.20 -4.20 0.12 0.00 -1.58 0.00 0.00 42.46 36.61 1jiq s ILE 208 CO -0.03 -0.64 0.48 0.00 -1.23 0.00 0.00 174.94 173.53 1jiq s ALA 209 N 2.58 3.62 -0.30 9.38 0.00 0.12 -0.65 121.76 136.51 1jiq s ALA 209 Ca 0.17 -2.51 -0.06 0.00 0.00 0.00 0.00 51.96 49.56 1jiq s ALA 209 Cb -0.17 -3.21 0.16 0.00 0.00 0.00 0.00 23.12 19.90 1jiq s ALA 209 CO 0.15 -1.99 0.66 0.45 0.00 0.00 0.00 175.76 175.03 1jiq s SER 210 N 3.44 -1.22 0.14 0.00 0.15 -0.52 -4.50 113.70 111.19 1jiq s SER 210 Ca 0.03 1.14 -0.21 0.00 0.70 0.00 0.00 55.95 57.62 1jiq s SER 210 Cb -0.29 2.17 0.02 0.00 -1.71 0.00 0.00 66.02 66.21 1jiq s SER 210 CO 0.03 -0.23 1.66 0.50 1.20 0.00 0.00 173.24 176.40 1jiq h LYS 211 N 7.98 -0.15 0.00 5.44 1.63 -1.94 -2.26 116.57 127.27 1jiq h LYS 211 Ca -0.20 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 1jiq h LYS 211 Cb 1.13 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 1jiq h LYS 211 CO 0.17 -0.10 -0.12 1.79 -3.45 0.00 0.00 179.45 177.74 1jiq h THR 212 N -0.15 0.00 -3.19 1.00 1.35 -1.97 -2.06 112.91 107.88 1jiq h THR 212 Ca 0.13 -0.93 -0.37 0.00 -0.55 0.00 0.00 66.41 64.69 1jiq h THR 212 Cb 0.35 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 1jiq h THR 212 CO -0.32 0.00 -0.47 0.33 -0.25 0.00 0.00 175.52 174.81 1jiq n PHE 213 N -2.95 -1.10 -0.47 4.73 7.35 -0.85 -4.62 117.46 119.57 1jiq n PHE 213 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 1jiq n PHE 213 Cb 0.52 -3.62 0.00 0.00 0.35 0.00 0.00 39.48 36.73 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 -3.79 0.05 -1.67 -2.13 -2.24 -1.26 -4.94 114.28 98.29 1jiq n THR 214 Ca -0.22 -0.29 -0.49 0.00 -2.27 0.00 0.00 64.05 60.78 1jiq n THR 214 Cb 0.66 1.40 -0.05 0.00 -2.10 0.00 0.00 70.33 70.25 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 -0.02 0.54 0.13 4.28 -1.04 -1.26 -4.86 114.28 112.04 1jiq n THR 215 Ca 0.00 -0.12 -0.15 0.00 -2.04 0.00 0.00 64.05 61.75 1jiq n THR 215 Cb 0.14 -1.83 -0.07 0.00 -1.82 0.00 0.00 70.33 66.74 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 9.38 -0.64 -0.32 -2.82 4.15 -1.98 0.59 115.11 123.46 1jiq h GLN 216 Ca -0.47 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 58.97 1jiq h GLN 216 Cb 1.28 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 1jiq h GLN 216 CO 0.95 -0.43 0.12 0.93 -1.93 0.00 0.00 178.83 178.48 1jiq h GLU 217 N -0.67 0.49 -0.11 1.69 5.08 -1.96 -1.44 114.58 117.66 1jiq h GLU 217 Ca 0.02 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1jiq h GLU 217 Cb 0.68 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1jiq h GLU 217 CO -0.23 0.50 0.05 1.15 -1.00 0.00 0.00 179.01 179.49 1jiq h THR 218 N 0.37 1.12 -0.06 1.13 2.02 -1.83 -1.64 112.91 114.01 1jiq h THR 218 Ca 0.11 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.87 1jiq h THR 218 Cb 0.20 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1jiq h THR 218 CO -0.01 0.10 -0.34 0.40 0.37 0.00 0.00 175.52 176.05 1jiq h ILE 219 N 0.06 1.26 -0.05 3.11 1.08 -0.82 0.14 117.51 122.30 1jiq h ILE 219 Ca 0.04 -1.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.24 1jiq h ILE 219 Cb 0.12 1.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1jiq h ILE 219 CO -0.00 0.37 0.01 0.74 -0.69 0.00 0.00 178.15 178.58 1jiq h THR 220 N 0.11 1.18 -0.76 -0.27 2.02 -1.06 0.36 112.91 114.48 1jiq h THR 220 Ca 0.01 -0.54 0.05 0.00 0.77 0.00 0.00 66.41 66.71 1jiq h THR 220 Cb 0.66 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 1jiq h THR 220 CO 0.05 0.15 0.46 0.78 0.37 0.00 0.00 175.52 177.33 1jiq h ASN 221 N -0.13 0.73 -0.41 4.18 2.35 -1.01 -0.29 115.58 120.99 1jiq h ASN 221 Ca 0.01 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1jiq h ASN 221 Cb 0.23 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1jiq h ASN 221 CO -0.00 0.48 0.22 0.00 -1.65 0.00 0.00 177.43 176.48 1jiq h ALA 222 N 1.36 0.53 -0.21 -0.83 0.00 -0.24 -1.10 119.26 118.77 1jiq h ALA 222 Ca 0.33 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 1jiq h ALA 222 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jiq h ALA 222 CO -0.15 0.06 -0.13 0.93 0.00 0.00 0.00 179.25 179.95 1jiq h GLU 223 N 0.54 0.34 -0.45 0.00 5.08 0.14 -0.51 114.58 119.72 1jiq h GLU 223 Ca 0.15 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1jiq h GLU 223 Cb 0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1jiq h GLU 223 CO -0.02 0.47 -0.27 1.15 -1.00 0.00 0.00 179.01 179.34 1jiq h THR 224 N 0.32 1.27 -0.57 1.13 2.02 -0.57 -1.77 112.91 114.73 1jiq h THR 224 Ca 0.06 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.72 1jiq h THR 224 Cb 0.43 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1jiq h THR 224 CO 0.02 0.49 0.02 0.00 0.37 0.00 0.00 175.52 176.43 1jiq h ALA 225 N 0.83 0.76 -0.76 6.16 0.00 -0.70 -2.08 119.26 123.47 1jiq h ALA 225 Ca 0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1jiq h ALA 225 Cb 0.86 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1jiq h ALA 225 CO 0.08 0.58 0.27 -0.22 0.00 0.00 0.00 179.25 179.96 1jiq h LYS 226 N 0.88 1.16 -0.45 0.00 3.64 -0.97 -0.04 116.57 120.79 1jiq h LYS 226 Ca 0.16 -0.23 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1jiq h LYS 226 Cb 0.52 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1jiq h LYS 226 CO 0.03 0.96 0.18 1.49 -2.27 0.00 0.00 179.45 179.84 1jiq h GLU 227 N 1.12 0.67 -0.53 1.90 4.81 -1.13 0.85 114.58 122.26 1jiq h GLU 227 Ca 0.25 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1jiq h GLU 227 Cb 0.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1jiq h GLU 227 CO -0.01 0.61 0.29 2.35 -0.73 0.00 0.00 179.01 181.51 1jiq h TRP 228 N 0.59 0.74 -0.06 0.92 7.01 -1.13 -1.65 115.95 122.36 1jiq h TRP 228 Ca 0.15 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1jiq h TRP 228 Cb 0.19 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 27.01 1jiq h TRP 228 CO 0.00 0.55 0.03 0.35 -2.79 0.00 0.00 178.44 176.58 1jiq h PHE 229 N 0.71 0.08 0.00 2.65 3.57 -0.53 -2.95 116.94 120.48 1jiq h PHE 229 Ca 0.19 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1jiq h PHE 229 Cb 0.06 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1jiq h PHE 229 CO -0.01 0.16 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.03 1jiq h LEU 230 N -0.02 0.00 -1.49 0.59 3.38 -0.71 -0.04 115.31 117.02 1jiq h LEU 230 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.05 1jiq h LEU 230 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1jiq h LEU 230 CO -0.00 0.12 0.41 -0.61 0.09 0.00 0.00 178.44 178.45 1jiq h GLN 231 N 0.00 0.62 0.05 1.13 4.15 -1.12 0.50 115.11 120.44 1jiq h GLN 231 Ca -0.00 -0.04 -0.34 0.00 0.77 0.00 0.00 58.65 59.04 1jiq h GLN 231 Cb 0.40 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 1jiq h GLN 231 CO 0.02 0.41 -1.89 0.00 -1.93 0.00 0.00 178.83 175.43 1jiq n ALA 232 N -2.47 0.97 0.06 3.38 0.00 -0.70 -4.59 120.51 117.16 1jiq n ALA 232 Ca 0.08 -0.69 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 1jiq n ALA 232 Cb 0.21 -0.45 -0.13 0.00 0.00 0.00 0.00 19.45 19.08 1jiq n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jiq h ALA 233 N -0.28 0.33 0.00 0.00 0.00 -0.95 -3.47 119.26 114.89 1jiq h ALA 233 Ca -0.46 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1jiq h ALA 233 Cb 1.71 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1jiq h ALA 233 CO -0.11 1.20 0.00 1.63 0.00 0.00 0.00 179.25 181.98 1jiq n LYS 234 N -3.38 0.00 -2.44 0.00 4.01 0.18 -4.88 118.16 111.65 1jiq n LYS 234 Ca -0.08 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.29 1jiq n LYS 234 Cb 1.00 -0.04 -0.02 0.00 -0.51 0.00 0.00 35.03 35.45 1jiq n LYS 234 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1jiq s ASP 235 N 0.00 6.71 0.53 4.39 2.15 -1.26 -4.92 116.67 124.27 1jiq s ASP 235 Ca 0.00 1.23 0.25 0.00 0.43 0.00 0.00 52.55 54.46 1jiq s ASP 235 Cb 0.00 -2.54 1.40 0.00 -0.30 0.00 0.00 42.92 41.48 1jiq s ASP 235 CO 0.00 -1.04 2.01 -0.65 -0.17 0.00 0.00 175.17 175.32 1jiq h PRO 236 N 9.13 0.00 0.00 4.34 0.11 -1.97 0.23 132.00 143.84 1jiq h PRO 236 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jiq h PRO 236 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jiq h PRO 236 CO 1.03 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.48 1jiq h SER 237 N 0.00 0.00 0.80 -2.05 4.64 -1.94 -2.76 113.55 112.24 1jiq h SER 237 Ca 0.23 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1jiq h SER 237 Cb 0.92 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1jiq h SER 237 CO -0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.79 1jiq h ALA 238 N 2.06 1.07 -0.99 5.18 0.00 -1.33 -3.17 119.26 122.08 1jiq h ALA 238 Ca 0.00 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.89 1jiq h ALA 238 Cb 0.47 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 1jiq h ALA 238 CO 0.00 0.20 0.62 0.28 0.00 0.00 0.00 179.25 180.36 1jiq h VAL 239 N 0.00 0.90 0.00 0.00 2.07 -1.62 -1.38 116.25 116.21 1jiq h VAL 239 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.19 1jiq h VAL 239 Cb 0.61 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1jiq h VAL 239 CO 0.02 0.17 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 -1.49 -0.67 119.26 121.32 1jiq h ALA 240 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1jiq h ALA 240 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jiq h ALA 240 CO -0.26 0.00 -0.54 1.63 0.00 0.00 0.00 179.25 180.08 1jiq n LYS 241 N -2.53 0.24 0.00 0.00 5.02 -0.52 -4.42 118.16 115.95 1jiq n LYS 241 Ca -0.00 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1jiq n LYS 241 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1jiq n LYS 241 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1jiq n HIS 242 N -1.24 0.00 -3.90 2.13 8.25 -0.55 -4.74 115.22 115.17 1jiq n HIS 242 Ca 0.07 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.36 1jiq n HIS 242 Cb 0.34 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.29 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 0.29 0.22 4.41 0.40 -0.37 -0.14 117.98 122.77 1jiq s PHE 243 Ca 0.00 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.41 1jiq s PHE 243 Cb 0.00 -0.41 -0.05 0.00 0.51 0.00 0.00 43.02 43.07 1jiq s PHE 243 CO 0.00 -0.14 -0.08 0.14 0.70 0.00 0.00 175.22 175.84 1jiq s VAL 244 N 1.11 1.47 0.02 -0.44 -7.23 -0.18 -4.62 120.40 110.52 1jiq s VAL 244 Ca -0.09 -2.12 0.07 0.00 -1.81 0.00 0.00 61.98 58.03 1jiq s VAL 244 Cb -0.13 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 1jiq s VAL 244 CO -0.02 -0.47 -0.21 0.00 -0.31 0.00 0.00 175.10 174.09 1jiq s ALA 245 N -3.14 1.77 -0.50 1.32 0.00 -0.87 -0.35 121.76 119.99 1jiq s ALA 245 Ca 0.25 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.14 1jiq s ALA 245 Cb 0.03 -0.40 0.13 0.00 0.00 0.00 0.00 23.12 22.88 1jiq s ALA 245 CO 0.08 0.42 0.36 -0.51 0.00 0.00 0.00 175.76 176.11 1jiq s LEU 246 N -0.85 5.64 0.18 0.00 1.43 0.18 -0.39 118.68 124.87 1jiq s LEU 246 Ca 0.08 -2.10 -0.23 0.00 -1.03 0.00 0.00 54.13 50.85 1jiq s LEU 246 Cb -0.08 -1.97 0.07 0.00 0.03 0.00 0.00 46.19 44.23 1jiq s LEU 246 CO 0.01 -0.62 1.01 -0.55 0.23 0.00 0.00 176.35 176.42 1jiq s SER 247 N 2.26 -0.05 0.00 2.29 0.15 -0.88 -1.44 113.70 116.02 1jiq s SER 247 Ca 0.08 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1jiq s SER 247 Cb -0.24 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1jiq s SER 247 CO -0.02 -0.99 0.19 0.35 1.20 0.00 0.00 173.24 173.97 1jiq n THR 248 N -0.62 0.00 -2.69 6.45 -2.24 -0.77 -3.81 114.28 110.59 1jiq n THR 248 Ca -0.04 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 1jiq n THR 248 Cb 0.60 1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1jiq n THR 248 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jiq s ASN 249 N -0.59 6.86 0.24 3.42 3.84 -1.23 -4.84 114.94 122.64 1jiq s ASN 249 Ca 0.00 -2.47 -0.05 0.00 0.21 0.00 0.00 52.86 50.55 1jiq s ASN 249 Cb 0.00 -2.52 0.42 0.00 -0.55 0.00 0.00 41.25 38.60 1jiq s ASN 249 CO 0.00 -1.09 1.75 0.74 -2.79 0.00 0.00 177.10 175.72 1jiq h THR 250 N 5.47 0.74 -0.17 -5.21 2.02 -1.95 -1.58 112.91 112.24 1jiq h THR 250 Ca 0.37 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1jiq h THR 250 Cb 0.89 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1jiq h THR 250 CO 1.38 0.10 0.04 0.74 0.37 0.00 0.00 175.52 178.15 1jiq h THR 251 N 0.54 1.21 -0.44 3.16 2.02 -2.00 -1.32 112.91 116.08 1jiq h THR 251 Ca 0.40 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 1jiq h THR 251 Cb 0.53 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1jiq h THR 251 CO -0.34 0.20 -0.02 0.11 0.37 0.00 0.00 175.52 175.84 1jiq h LYS 252 N 0.08 0.73 -0.33 6.66 1.79 -1.87 -0.30 116.57 123.32 1jiq h LYS 252 Ca 0.05 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 1jiq h LYS 252 Cb 0.28 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1jiq h LYS 252 CO 0.00 0.76 0.05 0.28 -1.08 0.00 0.00 179.45 179.46 1jiq h VAL 253 N 0.68 1.24 -0.47 0.50 2.07 -1.11 -1.29 116.25 117.87 1jiq h VAL 253 Ca 0.13 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1jiq h VAL 253 Cb 0.46 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1jiq h VAL 253 CO 0.02 0.28 0.21 0.50 0.02 0.00 0.00 177.57 178.60 1jiq h LYS 254 N 0.39 0.69 -0.09 1.57 3.64 -1.06 -2.33 116.57 119.37 1jiq h LYS 254 Ca 0.10 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1jiq h LYS 254 Cb 0.36 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1jiq h LYS 254 CO 0.01 0.60 -0.10 0.93 -2.27 0.00 0.00 179.45 178.61 1jiq h GLU 255 N 0.62 0.14 0.00 1.90 5.08 -0.91 -1.00 114.58 120.41 1jiq h GLU 255 Ca 0.16 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1jiq h GLU 255 Cb 0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1jiq h GLU 255 CO -0.02 0.26 -0.28 0.35 -1.00 0.00 0.00 179.01 178.32 1jiq h PHE 256 N 0.14 0.00 0.00 4.33 3.57 -0.95 -3.46 116.94 120.57 1jiq h PHE 256 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jiq h PHE 256 Cb 0.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1jiq h PHE 256 CO 0.00 0.28 0.00 0.41 -2.23 0.00 0.00 178.31 176.78 1jiq n GLY 257 N -0.47 1.19 3.77 2.40 0.00 -0.38 -5.04 105.19 106.67 1jiq n GLY 257 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 4.69 -0.09 -0.61 1.01 -0.90 -2.84 121.20 120.45 1jiq s ILE 258 Ca 0.00 1.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 1jiq s ILE 258 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 1jiq s ILE 258 CO 0.00 0.45 1.32 -0.62 0.00 0.00 0.00 174.94 176.09 1jiq s ASP 259 N -0.56 6.92 0.27 3.58 -1.08 -1.26 -3.95 116.67 120.59 1jiq s ASP 259 Ca 0.34 1.87 0.18 0.00 -0.52 0.00 0.00 52.55 54.42 1jiq s ASP 259 Cb -0.20 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 39.68 1jiq s ASP 259 CO 0.21 -0.72 1.54 -0.81 0.52 0.00 0.00 175.17 175.92 1jiq n PRO 260 N 6.02 0.11 0.14 4.34 -0.04 -1.26 -0.03 135.00 144.29 1jiq n PRO 260 Ca 0.13 0.61 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 1jiq n PRO 260 Cb 0.45 -1.88 0.50 0.00 -0.04 0.00 0.00 33.50 32.53 1jiq n PRO 260 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1jiq h GLN 261 N 0.00 0.00 -0.78 0.54 3.07 -2.02 -2.48 115.11 113.44 1jiq h GLN 261 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 58.65 58.28 1jiq h GLN 261 Cb 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 27.48 27.31 1jiq h GLN 261 CO 0.00 0.00 0.33 0.09 0.09 0.00 0.00 178.83 179.34 1jiq n ASN 262 N -2.33 4.41 -4.45 0.06 3.02 0.96 -4.87 115.26 112.06 1jiq n ASN 262 Ca 0.02 -3.73 -0.37 0.00 -0.03 0.00 0.00 54.58 50.47 1jiq n ASN 262 Cb 0.26 -0.76 -0.12 0.00 -0.61 0.00 0.00 39.78 38.54 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 -3.45 3.56 -0.37 3.52 1.75 -0.94 -2.05 119.30 121.33 1jiq s MET 263 Ca 0.55 -0.55 -0.13 0.00 -1.25 0.00 0.00 55.69 54.31 1jiq s MET 263 Cb 0.46 -3.41 0.01 0.00 2.84 0.00 0.00 34.83 34.72 1jiq s MET 263 CO 0.04 -0.26 0.24 -0.06 -0.65 0.00 0.00 175.02 174.33 1jiq s PHE 264 N 1.62 3.23 0.48 4.11 0.40 0.47 -4.91 117.98 123.38 1jiq s PHE 264 Ca 0.06 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.69 1jiq s PHE 264 Cb -0.16 -2.49 -0.06 0.00 0.51 0.00 0.00 43.02 40.83 1jiq s PHE 264 CO 0.05 -0.53 0.86 -1.21 0.70 0.00 0.00 175.22 175.08 1jiq s GLU 265 N 1.65 3.74 0.34 0.44 2.02 -1.25 -2.08 118.70 123.55 1jiq s GLU 265 Ca 0.04 0.55 -0.00 0.00 0.02 0.00 0.00 54.97 55.59 1jiq s GLU 265 Cb -0.18 -2.29 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1jiq s GLU 265 CO 0.09 -0.20 0.44 1.97 0.02 0.00 0.00 175.26 177.58 1jiq n PHE 266 N -1.78 -1.31 -4.39 1.61 1.16 -1.26 -4.45 117.46 107.05 1jiq n PHE 266 Ca 0.03 -2.38 -0.19 0.00 -1.87 0.00 0.00 57.45 53.05 1jiq n PHE 266 Cb 0.54 0.49 -0.10 0.00 -1.61 0.00 0.00 39.48 38.80 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 -3.02 1.77 0.58 2.97 0.51 -1.26 -4.82 118.94 115.66 1jiq s TRP 267 Ca 0.30 -0.83 0.27 0.00 -2.12 0.00 0.00 56.10 53.72 1jiq s TRP 267 Cb -0.00 -1.04 1.68 0.00 -0.81 0.00 0.00 33.47 33.30 1jiq s TRP 267 CO 0.22 0.10 2.20 -0.44 -0.51 0.00 0.00 176.95 178.52 1jiq h ASP 268 N 2.35 0.00 -0.33 2.95 3.45 -2.03 -0.90 116.42 121.91 1jiq h ASP 268 Ca -0.39 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.07 1jiq h ASP 268 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1jiq h ASP 268 CO 0.66 0.00 0.00 -2.67 -1.57 0.00 0.00 179.24 175.66 1jiq n TRP 269 N -3.98 0.45 -3.57 4.55 4.27 -1.26 -4.59 117.44 113.30 1jiq n TRP 269 Ca -0.02 -0.22 -0.41 0.00 -3.89 0.00 0.00 57.50 52.96 1jiq n TRP 269 Cb 0.14 -0.01 -0.10 0.00 -1.36 0.00 0.00 31.31 29.99 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 -1.57 4.35 0.37 -1.67 1.01 -0.35 -1.04 120.40 121.51 1jiq s VAL 270 Ca 0.22 -1.38 -0.26 0.00 0.00 0.00 0.00 61.98 60.56 1jiq s VAL 270 Cb 0.12 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1jiq s VAL 270 CO 0.15 -0.53 1.12 -0.83 0.00 0.00 0.00 175.10 175.01 1jiq s GLY 271 N 2.20 2.88 0.23 4.51 0.00 -1.26 -4.85 107.32 111.02 1jiq s GLY 271 Ca 0.03 0.88 -0.07 0.00 0.00 0.00 0.00 44.72 45.56 1jiq s GLY 271 CO 0.02 1.40 1.69 -1.33 0.00 0.00 0.00 173.10 174.88 1jiq h GLY 272 N 2.87 0.89 0.50 0.20 0.00 -1.96 0.20 103.07 105.78 1jiq h GLY 272 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1jiq h GLY 272 CO 0.63 -0.16 0.00 -0.96 0.00 0.00 0.00 176.54 176.05 1jiq n ARG 273 N -5.15 0.78 -0.86 4.80 1.85 -1.26 -2.01 116.66 114.81 1jiq n ARG 273 Ca 0.12 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.01 1jiq n ARG 273 Cb 0.39 -1.25 0.09 0.00 -1.05 0.00 0.00 32.46 30.64 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 -0.75 0.00 0.82 2.89 4.02 0.65 -4.73 117.16 120.06 1jiq n TYR 274 Ca 0.09 -0.80 0.08 0.00 -0.01 0.00 0.00 57.90 57.27 1jiq n TYR 274 Cb 0.04 -0.17 -0.07 0.00 -0.02 0.00 0.00 39.34 39.13 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 -0.35 1.14 0.34 7.72 3.41 -0.81 -4.40 113.62 120.67 1jiq n SER 275 Ca 0.10 -1.07 0.21 0.00 -0.26 0.00 0.00 58.87 57.86 1jiq n SER 275 Cb 0.86 0.82 1.15 0.00 -0.26 0.00 0.00 64.21 66.78 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 0.68 0.00 -0.00 1.04 8.10 -1.83 0.07 115.31 123.37 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 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1jiq h LEU 276 CO 0.00 0.00 0.00 0.79 -4.11 0.00 0.00 178.44 175.12 1jiq n TRP 277 N -3.03 0.09 -2.37 0.17 7.02 -1.26 -2.95 117.44 115.10 1jiq n TRP 277 Ca -0.03 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1jiq n TRP 277 Cb 0.13 -0.54 0.00 0.00 -2.42 0.00 0.00 31.31 28.47 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 -1.57 0.00 -0.36 -0.99 3.41 0.01 -4.75 113.62 109.37 1jiq n SER 278 Ca 0.07 -0.56 0.32 0.00 -0.26 0.00 0.00 58.87 58.43 1jiq n SER 278 Cb 0.34 0.00 0.64 0.00 -0.26 0.00 0.00 64.21 64.93 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 -0.33 2.75 -0.37 7.33 0.00 -1.81 0.40 119.26 127.24 1jiq h ALA 279 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1jiq h ALA 279 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jiq h ALA 279 CO 0.00 -1.18 0.42 0.82 0.00 0.00 0.00 179.25 179.31 1jiq h ILE 280 N 0.17 0.36 -0.05 0.00 1.08 -1.85 0.16 117.51 117.38 1jiq h ILE 280 Ca 0.64 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 65.11 1jiq h ILE 280 Cb 2.10 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 36.52 1jiq h ILE 280 CO -0.19 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 177.88 1jiq n GLY 281 N -1.47 -0.70 0.34 5.37 0.00 0.14 -4.32 105.19 104.55 1jiq n GLY 281 Ca 0.06 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 0.29 0.81 -1.37 0.99 5.85 -0.85 0.58 115.31 121.61 1jiq h LEU 282 Ca 0.00 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1jiq h LEU 282 Cb 0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1jiq h LEU 282 CO 0.00 0.43 -0.31 0.77 -0.34 0.00 0.00 178.44 178.99 1jiq h SER 283 N 0.90 0.00 0.04 1.25 4.64 -1.84 0.17 113.55 118.71 1jiq h SER 283 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1jiq h SER 283 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1jiq h SER 283 CO -0.27 0.31 -0.02 0.40 -0.87 0.00 0.00 176.83 176.38 1jiq h ILE 284 N 0.00 1.09 -0.43 0.95 2.04 -1.22 -2.15 117.51 117.79 1jiq h ILE 284 Ca -0.00 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.39 1jiq h ILE 284 Cb 0.57 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1jiq h ILE 284 CO 0.04 0.11 0.15 0.00 0.00 0.00 0.00 178.15 178.45 1jiq h ALA 285 N 0.70 1.46 -0.47 1.87 0.00 -0.75 -1.29 119.26 120.78 1jiq h ALA 285 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1jiq h ALA 285 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jiq h ALA 285 CO 0.01 0.41 -0.09 -0.07 0.00 0.00 0.00 179.25 179.51 1jiq h LEU 286 N 0.62 0.89 -0.02 0.00 3.38 -0.90 0.76 115.31 120.04 1jiq h LEU 286 Ca 0.15 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1jiq h LEU 286 Cb 0.16 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1jiq h LEU 286 CO -0.01 1.03 -0.07 -0.74 0.09 0.00 0.00 178.44 178.74 1jiq h HIS 287 N 0.73 0.11 -0.11 1.13 2.76 -0.95 -3.36 115.15 115.46 1jiq h HIS 287 Ca 0.12 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1jiq h HIS 287 Cb 0.63 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.57 1jiq h HIS 287 CO 0.05 0.71 0.00 1.33 -1.30 0.00 0.00 177.93 178.72 1jiq n VAL 288 N -4.70 0.19 0.00 5.26 0.24 -0.52 -4.14 118.33 114.66 1jiq n VAL 288 Ca -0.09 -0.60 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1jiq n VAL 288 Cb 0.36 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 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 0.88 0.32 0.21 7.63 0.00 0.26 -4.32 105.19 110.16 1jiq n GLY 289 Ca 0.10 -1.60 -0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 0.26 -0.55 1.61 3.57 -1.90 -1.73 116.94 118.20 1jiq h PHE 290 Ca 0.00 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.45 1jiq h PHE 290 Cb 0.00 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1jiq h PHE 290 CO 0.00 0.53 0.36 -0.44 -2.23 0.00 0.00 178.31 176.53 1jiq h ASP 291 N 0.20 0.62 -0.11 0.41 3.32 -1.91 0.55 116.42 119.49 1jiq h ASP 291 Ca 0.03 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1jiq h ASP 291 Cb 0.68 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1jiq h ASP 291 CO 0.05 0.45 -0.28 0.78 -1.72 0.00 0.00 179.24 178.52 1jiq h ASN 292 N 0.73 0.58 -0.79 6.45 2.35 -1.64 -2.01 115.58 121.25 1jiq h ASN 292 Ca 0.21 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1jiq h ASN 292 Cb -0.07 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1jiq h ASN 292 CO -0.05 0.84 0.42 0.15 -1.65 0.00 0.00 177.43 177.14 1jiq h PHE 293 N 0.50 1.10 -0.39 1.19 3.57 -0.65 -1.69 116.94 120.56 1jiq h PHE 293 Ca 0.07 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1jiq h PHE 293 Cb 0.74 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1jiq h PHE 293 CO 0.03 0.77 0.02 0.93 -2.23 0.00 0.00 178.31 177.84 1jiq h GLU 294 N 1.10 0.61 -0.54 1.11 5.08 -0.56 -1.55 114.58 119.83 1jiq h GLU 294 Ca 0.28 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1jiq h GLU 294 Cb 0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1jiq h GLU 294 CO -0.04 0.62 -0.02 1.96 -1.00 0.00 0.00 179.01 180.53 1jiq h GLN 295 N 0.59 0.96 -0.24 2.33 1.08 -0.83 -0.25 115.11 118.75 1jiq h GLN 295 Ca 0.13 -0.31 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1jiq h GLN 295 Cb 0.34 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 1jiq h GLN 295 CO 0.01 0.98 -0.03 1.25 -0.95 0.00 0.00 178.83 180.09 1jiq h LEU 296 N 0.83 -0.15 -0.87 1.46 5.85 -0.97 0.32 115.31 121.78 1jiq h LEU 296 Ca 0.15 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1jiq h LEU 296 Cb 0.55 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1jiq h LEU 296 CO 0.03 -0.05 0.58 -0.07 -0.34 0.00 0.00 178.44 178.59 1jiq h LEU 297 N 0.04 0.99 -1.04 2.25 3.38 -1.00 -2.50 115.31 117.44 1jiq h LEU 297 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1jiq h LEU 297 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1jiq h LEU 297 CO -0.22 0.72 0.04 0.28 0.09 0.00 0.00 178.44 179.35 1jiq h SER 298 N 1.17 0.69 -0.45 -0.43 0.02 -0.57 0.56 113.55 114.56 1jiq h SER 298 Ca 0.32 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1jiq h SER 298 Cb -0.12 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1jiq h SER 298 CO -0.07 0.74 0.08 1.23 -1.14 0.00 0.00 176.83 177.66 1jiq h GLY 299 N 0.94 0.79 1.05 -3.77 0.00 -0.54 -0.39 103.07 101.15 1jiq h GLY 299 Ca 0.15 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1jiq h GLY 299 CO 0.01 0.48 0.13 0.00 0.00 0.00 0.00 176.54 177.17 1jiq h ALA 300 N 0.95 0.86 -0.87 3.60 0.00 -1.18 -2.38 119.26 120.25 1jiq h ALA 300 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jiq h ALA 300 Cb 0.37 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1jiq h ALA 300 CO 0.01 0.60 0.56 1.25 0.00 0.00 0.00 179.25 181.66 1jiq h HIS 301 N 0.98 1.11 -0.14 0.00 6.17 -0.62 0.18 115.15 122.84 1jiq h HIS 301 Ca 0.20 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.30 1jiq h HIS 301 Cb 0.40 -0.37 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 1jiq h HIS 301 CO 0.03 0.72 0.09 2.35 0.71 0.00 0.00 177.93 181.83 1jiq h TRP 302 N 1.19 0.17 -0.54 5.26 7.01 -0.80 -1.75 115.95 126.49 1jiq h TRP 302 Ca 0.32 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.26 1jiq h TRP 302 Cb -0.10 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 1jiq h TRP 302 CO -0.01 0.12 0.10 1.98 -2.79 0.00 0.00 178.44 177.84 1jiq h MET 303 N 0.18 0.85 -0.53 2.65 4.05 -0.91 0.45 114.93 121.67 1jiq h MET 303 Ca 0.05 -0.19 0.06 0.00 -0.28 0.00 0.00 59.70 59.34 1jiq h MET 303 Cb -0.01 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 1jiq h MET 303 CO -0.01 0.79 0.24 -0.44 0.23 0.00 0.00 176.91 177.71 1jiq h ASP 304 N 0.81 0.30 -0.42 1.39 3.32 -0.40 0.84 116.42 122.27 1jiq h ASP 304 Ca 0.17 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1jiq h ASP 304 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1jiq h ASP 304 CO 0.00 0.20 -0.21 1.56 -1.72 0.00 0.00 179.24 179.07 1jiq h GLN 305 N 0.45 0.89 -0.30 3.56 4.20 -0.64 -0.81 115.11 122.46 1jiq h GLN 305 Ca 0.25 -0.39 0.06 0.00 0.06 0.00 0.00 58.65 58.63 1jiq h GLN 305 Cb 0.22 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 1jiq h GLN 305 CO -0.21 1.04 -0.07 1.25 -0.67 0.00 0.00 178.83 180.16 1jiq h HIS 306 N 0.71 -0.16 -0.81 2.96 2.76 -0.37 -0.89 115.15 119.36 1jiq h HIS 306 Ca 0.09 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1jiq h HIS 306 Cb 0.78 0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.82 1jiq h HIS 306 CO 0.06 -0.13 0.39 0.35 -1.30 0.00 0.00 177.93 177.29 1jiq h PHE 307 N 0.00 1.16 -0.03 5.26 3.57 -0.62 -2.14 116.94 124.15 1jiq h PHE 307 Ca 0.15 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 1jiq h PHE 307 Cb 0.22 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1jiq h PHE 307 CO -0.29 0.84 -0.70 -0.09 -2.23 0.00 0.00 178.31 175.84 1jiq h ARG 308 N 1.15 0.15 -0.01 1.11 2.43 -0.70 -3.37 114.38 115.15 1jiq h ARG 308 Ca 0.28 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1jiq h ARG 308 Cb 0.12 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1jiq h ARG 308 CO -0.03 0.79 -0.25 0.25 -1.51 0.00 0.00 179.97 179.22 1jiq n THR 309 N -3.77 0.00 -3.46 0.20 -2.24 -0.38 -4.99 114.28 99.64 1jiq n THR 309 Ca -0.02 -0.38 -0.37 0.00 -2.27 0.00 0.00 64.05 61.01 1jiq n THR 309 Cb 0.68 1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 69.95 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 -1.46 5.25 0.23 4.28 2.01 -0.82 -5.04 115.64 120.10 1jiq s THR 310 Ca 0.08 0.64 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 1jiq s THR 310 Cb 0.08 -3.68 -0.15 0.00 0.01 0.00 0.00 72.50 68.75 1jiq s THR 310 CO 0.28 0.33 0.94 -2.65 -0.69 0.00 0.00 174.62 172.83 1jiq n PRO 311 N 3.97 0.95 -0.28 4.92 -0.02 -1.26 -4.64 135.00 138.64 1jiq n PRO 311 Ca -0.10 0.33 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 1jiq n PRO 311 Cb 0.52 -1.66 0.24 0.00 -0.02 0.00 0.00 33.50 32.58 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 2.17 0.24 -0.08 2.45 3.38 -1.96 -0.11 115.31 121.41 1jiq h LEU 312 Ca -0.38 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jiq h LEU 312 Cb 1.37 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1jiq h LEU 312 CO 0.62 0.03 0.00 -1.84 0.09 0.00 0.00 178.44 177.34 1jiq n GLU 313 N -5.05 0.01 -0.27 1.13 0.00 -1.26 -2.03 120.64 113.17 1jiq n GLU 313 Ca 0.18 0.40 0.05 0.00 0.00 0.00 0.00 57.16 57.80 1jiq n GLU 313 Cb 0.54 -1.53 0.07 0.00 0.00 0.00 0.00 31.44 30.52 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 -1.55 0.69 -3.40 3.44 5.02 -0.09 -5.03 118.16 117.24 1jiq n LYS 314 Ca 0.01 -1.85 -0.42 0.00 -2.02 0.00 0.00 58.31 54.04 1jiq n LYS 314 Cb 0.08 -1.04 -0.09 0.00 -0.02 0.00 0.00 35.03 33.95 1jiq n LYS 314 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1jiq s ASN 315 N -2.00 6.16 0.10 4.39 3.84 -0.86 -4.89 114.94 121.67 1jiq s ASN 315 Ca 0.17 -0.47 -0.26 0.00 0.21 0.00 0.00 52.86 52.52 1jiq s ASN 315 Cb 0.15 -2.19 -0.10 0.00 -0.55 0.00 0.00 41.25 38.55 1jiq s ASN 315 CO 0.02 -0.41 1.67 0.00 -2.79 0.00 0.00 177.10 175.59 1jiq h ALA 316 N 8.56 -0.29 -0.54 1.71 0.00 -1.92 -0.44 119.26 126.35 1jiq h ALA 316 Ca -0.29 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1jiq h ALA 316 Cb 1.13 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1jiq h ALA 316 CO 0.72 -0.69 0.23 -1.00 0.00 0.00 0.00 179.25 178.50 1jiq h PRO 317 N -0.33 0.77 -0.48 0.00 0.13 -1.94 -1.24 132.00 128.91 1jiq h PRO 317 Ca 0.02 -0.11 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 1jiq h PRO 317 Cb 0.34 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.31 1jiq h PRO 317 CO -0.08 0.62 0.09 0.28 -0.23 0.00 0.00 178.00 178.69 1jiq h VAL 318 N 0.76 1.24 -0.52 1.56 2.07 -1.74 -1.24 116.25 118.39 1jiq h VAL 318 Ca 0.19 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 1jiq h VAL 318 Cb 0.13 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1jiq h VAL 318 CO -0.02 0.32 -0.05 -0.07 0.02 0.00 0.00 177.57 177.77 1jiq h LEU 319 N 0.66 0.95 -0.67 2.57 3.38 -0.65 0.41 115.31 121.94 1jiq h LEU 319 Ca 0.15 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1jiq h LEU 319 Cb 0.37 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1jiq h LEU 319 CO 0.01 1.05 0.33 -0.07 0.09 0.00 0.00 178.44 179.85 1jiq h LEU 320 N 0.82 0.88 -0.31 1.67 3.38 -1.18 -0.75 115.31 119.82 1jiq h LEU 320 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jiq h LEU 320 Cb 0.60 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1jiq h LEU 320 CO 0.04 0.76 0.20 0.00 0.09 0.00 0.00 178.44 179.52 1jiq h ALA 321 N 1.15 0.40 -0.74 1.53 0.00 -0.88 -2.34 119.26 118.38 1jiq h ALA 321 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1jiq h ALA 321 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1jiq h ALA 321 CO -0.03 -0.12 0.22 -0.07 0.00 0.00 0.00 179.25 179.26 1jiq h LEU 322 N 0.41 1.08 -0.89 0.00 3.38 -0.44 -0.60 115.31 118.25 1jiq h LEU 322 Ca 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1jiq h LEU 322 Cb -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 1jiq h LEU 322 CO -0.02 1.01 0.51 -0.07 0.09 0.00 0.00 178.44 179.96 1jiq h LEU 323 N 1.10 1.09 -0.65 1.67 3.38 -1.00 -1.42 115.31 119.48 1jiq h LEU 323 Ca 0.24 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1jiq h LEU 323 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jiq h LEU 323 CO -0.01 0.86 0.25 1.23 0.09 0.00 0.00 178.44 180.87 1jiq h GLY 324 N 1.24 1.06 0.97 0.83 0.00 -0.83 -1.68 103.07 104.65 1jiq h GLY 324 Ca 0.32 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1jiq h GLY 324 CO -0.06 0.55 0.38 -2.22 0.00 0.00 0.00 176.54 175.19 1jiq h ILE 325 N 0.93 1.13 -0.50 2.60 1.08 -0.46 0.79 117.51 123.07 1jiq h ILE 325 Ca 0.22 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.46 1jiq h ILE 325 Cb 0.22 0.29 -0.04 0.00 -3.07 0.00 0.00 36.82 34.22 1jiq h ILE 325 CO -0.02 0.14 0.26 -0.25 -0.69 0.00 0.00 178.15 177.60 1jiq h TRP 326 N 0.77 0.49 -0.04 1.37 -0.00 -0.76 0.27 115.95 118.05 1jiq h TRP 326 Ca 0.22 0.02 -0.20 0.00 -0.00 0.00 0.00 58.89 58.93 1jiq h TRP 326 Cb -0.06 -0.15 -0.00 0.00 -0.00 0.00 0.00 29.16 28.95 1jiq h TRP 326 CO -0.04 0.25 -0.82 1.88 -0.00 0.00 0.00 178.44 179.71 1jiq h TYR 327 N 0.52 0.52 0.07 2.65 0.05 -0.95 -2.09 116.97 117.74 1jiq h TYR 327 Ca 0.22 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1jiq h TYR 327 Cb 0.10 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1jiq h TYR 327 CO -0.09 1.04 -0.03 0.82 -1.05 0.00 0.00 178.16 178.84 1jiq h ILE 328 N 0.23 0.96 0.00 -2.88 2.04 -0.58 0.83 117.51 118.11 1jiq h ILE 328 Ca -0.05 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1jiq h ILE 328 Cb 1.42 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1jiq h ILE 328 CO 0.14 0.30 -0.66 0.78 0.00 0.00 0.00 178.15 178.70 1jiq h ASN 329 N -0.94 0.00 0.00 1.72 4.21 -0.60 -2.77 115.58 117.21 1jiq h ASN 329 Ca -0.01 -0.13 -0.21 0.00 1.21 0.00 0.00 56.30 57.16 1jiq h ASN 329 Cb 0.55 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.72 1jiq h ASN 329 CO 0.01 0.06 -1.61 0.00 -1.29 0.00 0.00 177.43 174.61 1jiq h PHE 331 N -0.62 0.00 -0.26 0.00 -1.00 -1.30 -3.48 116.94 110.28 1jiq h PHE 331 Ca -0.32 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.38 1jiq h PHE 331 Cb 1.18 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.72 1jiq h PHE 331 CO -0.11 0.06 -0.07 0.41 -1.61 0.00 0.00 178.31 176.99 1jiq n GLY 332 N 0.95 0.54 3.67 -1.45 0.00 0.12 -4.97 105.19 104.05 1jiq n GLY 332 Ca 0.03 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 8.43 0.00 -5.46 0.00 5.08 -1.90 -3.40 114.58 117.34 1jiq h GLU 334 Ca -0.34 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.48 1jiq h GLU 334 Cb 1.15 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.27 1jiq h GLU 334 CO 0.94 0.40 -0.62 0.95 -1.00 0.00 0.00 179.01 179.69 1jiq s THR 335 N -3.83 1.60 -0.11 1.13 -4.23 -1.26 -1.10 115.64 107.84 1jiq s THR 335 Ca -0.01 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1jiq s THR 335 Cb 0.13 -2.83 0.05 0.00 1.34 0.00 0.00 72.50 71.19 1jiq s THR 335 CO 0.70 -0.04 0.14 -2.28 -0.54 0.00 0.00 174.62 172.60 1jiq s HIS 336 N -3.01 -0.09 -0.11 3.99 2.46 -0.31 -4.24 115.29 113.98 1jiq s HIS 336 Ca 0.35 0.35 -0.14 0.00 0.47 0.00 0.00 55.06 56.09 1jiq s HIS 336 Cb 0.08 -0.38 -0.05 0.00 -0.13 0.00 0.00 32.58 32.10 1jiq s HIS 336 CO 0.16 -0.34 0.33 0.00 -2.47 0.00 0.00 174.74 172.41 1jiq s ALA 337 N 2.25 3.64 -0.27 1.58 0.00 -0.47 -2.36 121.76 126.14 1jiq s ALA 337 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1jiq s ALA 337 Cb -0.13 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.66 1jiq s ALA 337 CO -0.07 0.25 -0.04 -1.64 0.00 0.00 0.00 175.76 174.26 1jiq s MET 338 N -0.12 2.61 -0.59 0.00 -1.94 0.28 -0.45 119.30 119.10 1jiq s MET 338 Ca 0.19 -1.13 0.04 0.00 -1.71 0.00 0.00 55.69 53.09 1jiq s MET 338 Cb -0.14 -3.06 0.17 0.00 2.01 0.00 0.00 34.83 33.80 1jiq s MET 338 CO 0.07 -0.51 0.42 -0.51 -0.01 0.00 0.00 175.02 174.48 1jiq s LEU 339 N 1.28 3.59 -0.09 -0.03 1.43 0.00 -4.03 118.68 120.82 1jiq s LEU 339 Ca -0.03 -3.49 -0.30 0.00 -1.03 0.00 0.00 54.13 49.29 1jiq s LEU 339 Cb -0.18 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 44.80 1jiq s LEU 339 CO -0.03 -0.13 1.13 -2.16 0.23 0.00 0.00 176.35 175.39 1jiq s PRO 340 N -0.81 4.36 -1.35 1.29 0.04 -1.26 -2.53 135.00 134.75 1jiq s PRO 340 Ca 0.26 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.73 1jiq s PRO 340 Cb -0.04 -3.57 0.10 0.00 0.04 0.00 0.00 34.50 31.03 1jiq s PRO 340 CO -0.16 -0.43 1.95 0.66 0.04 0.00 0.00 177.00 179.07 1jiq n TYR 341 N 5.28 3.68 -3.23 0.56 4.02 0.21 -1.15 117.16 126.53 1jiq n TYR 341 Ca 0.10 -2.94 0.04 0.00 -0.01 0.00 0.00 57.90 55.09 1jiq n TYR 341 Cb 0.47 -2.33 -0.02 0.00 -0.02 0.00 0.00 39.34 37.43 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 2.57 -0.68 0.35 7.72 2.15 -1.22 -4.69 116.67 122.87 1jiq s ASP 342 Ca 0.45 0.57 0.08 0.00 0.43 0.00 0.00 52.55 54.08 1jiq s ASP 342 Cb 0.09 1.63 0.64 0.00 -0.30 0.00 0.00 42.92 44.98 1jiq s ASP 342 CO -0.02 -0.13 1.83 -0.61 -0.17 0.00 0.00 175.17 176.07 1jiq h GLN 343 N 7.85 0.26 -0.49 4.34 5.75 -1.85 -2.25 115.11 128.71 1jiq h GLN 343 Ca -0.16 -0.08 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 1jiq h GLN 343 Cb 1.15 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.65 1jiq h GLN 343 CO 0.03 0.48 0.24 1.88 -2.65 0.00 0.00 178.83 178.81 1jiq h TYR 344 N 0.24 0.66 -0.09 3.99 0.99 -1.90 -1.63 116.97 119.23 1jiq h TYR 344 Ca 0.04 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1jiq h TYR 344 Cb 0.54 -0.21 -0.01 0.00 1.00 0.00 0.00 36.73 38.04 1jiq h TYR 344 CO 0.01 0.49 0.03 1.28 -0.00 0.00 0.00 178.16 179.97 1jiq n LEU 345 N -4.39 2.29 0.24 3.88 4.77 -0.85 -2.81 117.00 120.14 1jiq n LEU 345 Ca 0.04 -1.16 0.16 0.00 -0.03 0.00 0.00 56.01 55.02 1jiq n LEU 345 Cb 0.12 -0.53 0.87 0.00 -2.33 0.00 0.00 43.42 41.56 1jiq n LEU 345 CO 0.37 0.40 0.99 1.12 -1.33 0.00 0.00 177.39 178.94 1jiq h HIS 346 N 0.33 0.00 -0.19 -1.77 2.07 -1.35 -2.01 115.15 112.24 1jiq h HIS 346 Ca 0.03 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1jiq h HIS 346 Cb 0.89 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.87 1jiq h HIS 346 CO 0.15 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.55 1jiq n ARG 347 N -2.63 2.78 -0.05 5.12 5.12 -1.26 -4.65 116.66 121.09 1jiq n ARG 347 Ca -0.02 -2.02 -0.10 0.00 -1.93 0.00 0.00 57.85 53.77 1jiq n ARG 347 Cb 0.05 -1.28 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 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 1.14 0.28 -0.56 -1.55 3.57 -1.71 -1.16 116.94 116.96 1jiq h PHE 348 Ca 0.00 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1jiq h PHE 348 Cb 0.77 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1jiq h PHE 348 CO 0.17 0.28 -0.02 0.00 -2.23 0.00 0.00 178.31 176.52 1jiq h ALA 349 N 0.97 0.92 -0.48 2.41 0.00 -1.82 -2.35 119.26 118.90 1jiq h ALA 349 Ca 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1jiq h ALA 349 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jiq h ALA 349 CO -0.01 0.64 0.12 0.00 0.00 0.00 0.00 179.25 180.00 1jiq h ALA 350 N 1.08 1.30 -0.56 0.00 0.00 -1.83 -1.41 119.26 117.85 1jiq h ALA 350 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jiq h ALA 350 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jiq h ALA 350 CO 0.03 0.49 0.22 -0.92 0.00 0.00 0.00 179.25 179.07 1jiq h TYR 351 N 0.71 0.86 0.00 0.00 3.20 -0.76 -2.80 116.97 118.18 1jiq h TYR 351 Ca 0.16 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1jiq h TYR 351 Cb 0.26 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1jiq h TYR 351 CO 0.01 0.70 0.00 1.19 -1.64 0.00 0.00 178.16 178.42 1jiq n PHE 352 N -4.49 0.55 -0.13 -3.82 3.01 -0.92 -1.44 117.46 110.22 1jiq n PHE 352 Ca 0.03 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1jiq n PHE 352 Cb 0.17 -0.79 0.27 0.00 -0.01 0.00 0.00 39.48 39.12 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 0.81 0.00 -1.08 4.20 -0.99 0.36 115.11 118.42 1jiq h GLN 353 Ca 0.00 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1jiq h GLN 353 Cb 0.54 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1jiq h GLN 353 CO 0.00 0.61 -0.06 0.37 -0.67 0.00 0.00 178.83 179.08 1jiq h GLN 354 N 0.82 0.00 -0.87 1.46 4.15 -1.46 -2.59 115.11 116.61 1jiq h GLN 354 Ca 0.21 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.75 1jiq h GLN 354 Cb 0.05 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.66 1jiq h GLN 354 CO -0.03 0.68 0.50 0.78 -1.93 0.00 0.00 178.83 178.83 1jiq h GLY 355 N -1.00 1.40 0.00 2.39 0.00 -1.12 -0.44 103.07 104.30 1jiq h GLY 355 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1jiq h GLY 355 CO -0.01 0.08 -0.31 -1.80 0.00 0.00 0.00 176.54 174.50 1jiq h ASP 356 N 0.78 0.00 -0.18 0.19 1.82 -0.45 -3.32 116.42 115.26 1jiq h ASP 356 Ca 0.44 -0.09 -0.13 0.00 -0.39 0.00 0.00 57.03 56.87 1jiq h ASP 356 Cb 0.50 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1jiq h ASP 356 CO -0.29 0.71 -0.32 0.24 -1.61 0.00 0.00 179.24 177.97 1jiq h MET 357 N -1.00 0.68 0.00 0.28 0.00 -1.41 0.53 114.93 114.01 1jiq h MET 357 Ca -0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 59.70 59.26 1jiq h MET 357 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 31.60 31.95 1jiq h MET 357 CO -0.01 0.91 -0.51 1.49 0.00 0.00 0.00 176.91 178.79 1jiq h GLU 358 N 0.58 0.00 0.06 1.72 4.81 -1.16 -0.03 114.58 120.55 1jiq h GLU 358 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1jiq h GLU 358 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 1jiq h GLU 358 CO 0.07 0.51 -0.03 0.77 -0.73 0.00 0.00 179.01 179.60 1jiq h SER 359 N 0.00 -0.07 -0.23 1.04 0.02 -1.44 -3.40 113.55 109.47 1jiq h SER 359 Ca -0.01 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1jiq h SER 359 Cb 1.09 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1jiq h SER 359 CO 0.07 0.60 0.00 0.59 -1.14 0.00 0.00 176.83 176.94 1jiq n ASN 360 N -4.80 2.56 -3.75 3.07 3.02 0.11 -4.07 115.26 111.39 1jiq n ASN 360 Ca -0.08 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 1jiq n ASN 360 Cb 0.31 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 1jiq n ASN 360 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jiq n GLY 361 N 0.56 3.82 3.33 7.41 0.00 -0.03 -1.73 105.19 118.54 1jiq n GLY 361 Ca 0.10 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 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 3.75 1.36 0.00 1.61 -0.14 -1.26 -4.97 119.74 120.09 1jiq s LYS 362 Ca 0.50 -1.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.40 1jiq s LYS 362 Cb 0.13 -0.48 0.00 0.00 -1.68 0.00 0.00 37.83 35.80 1jiq s LYS 362 CO -0.03 -0.17 0.00 2.48 -0.76 0.00 0.00 175.35 176.87 1jiq n TYR 363 N -0.44 0.00 -4.51 3.18 0.18 -1.26 -4.73 117.16 109.59 1jiq n TYR 363 Ca -0.03 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.41 1jiq n TYR 363 Cb 0.65 0.02 -0.13 0.00 -0.38 0.00 0.00 39.34 39.49 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 0.00 3.43 0.75 -3.48 -1.09 -1.26 -0.39 121.20 119.16 1jiq s ILE 364 Ca 0.00 -0.52 -0.08 0.00 -2.23 0.00 0.00 60.65 57.82 1jiq s ILE 364 Cb 0.00 -2.49 0.08 0.00 -1.58 0.00 0.00 42.46 38.47 1jiq s ILE 364 CO 0.00 0.50 1.08 0.42 -1.23 0.00 0.00 174.94 175.71 1jiq s THR 365 N 0.51 2.18 0.53 2.92 -4.23 -0.13 -4.50 115.64 112.91 1jiq s THR 365 Ca -0.06 -0.19 0.22 0.00 -1.18 0.00 0.00 61.69 60.48 1jiq s THR 365 Cb -0.15 -2.98 0.36 0.00 1.34 0.00 0.00 72.50 71.07 1jiq s THR 365 CO 0.03 0.00 2.04 0.50 -0.54 0.00 0.00 174.62 176.65 1jiq h LYS 366 N -0.80 0.01 -0.00 3.99 3.64 -1.47 0.19 116.57 122.12 1jiq h LYS 366 Ca -0.44 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1jiq h LYS 366 Cb 1.31 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1jiq h LYS 366 CO 0.59 0.00 -0.06 -1.13 -2.27 0.00 0.00 179.45 176.59 1jiq n SER 367 N -4.43 0.48 0.00 4.20 3.41 -1.26 -4.90 113.62 111.12 1jiq n SER 367 Ca 0.06 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 1jiq n SER 367 Cb 0.45 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.20 1.29 3.81 5.00 0.00 0.66 -5.04 105.19 112.10 1jiq n GLY 368 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1jiq n GLY 368 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jiq s THR 369 N -2.49 4.43 0.34 2.61 -4.23 -1.26 -4.68 115.64 110.36 1jiq s THR 369 Ca 0.00 1.46 -0.28 0.00 -1.18 0.00 0.00 61.69 61.69 1jiq s THR 369 Cb 0.00 -3.84 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 1jiq s THR 369 CO 0.00 0.06 1.23 -0.60 -0.54 0.00 0.00 174.62 174.76 1jiq s ARG 370 N -2.31 4.34 0.64 3.99 3.52 -1.26 -0.95 118.95 126.92 1jiq s ARG 370 Ca 0.50 2.03 -0.18 0.00 -0.13 0.00 0.00 55.73 57.95 1jiq s ARG 370 Cb -0.15 -3.00 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 1jiq s ARG 370 CO 0.20 -0.13 1.23 1.33 -0.81 0.00 0.00 175.30 177.12 1jiq n VAL 371 N 0.70 4.74 -1.85 7.11 0.24 0.47 -4.58 118.33 125.17 1jiq n VAL 371 Ca 0.01 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.72 1jiq n VAL 371 Cb 0.44 -1.43 0.11 0.00 -1.47 0.00 0.00 33.84 31.49 1jiq n VAL 371 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1jiq n ASP 372 N -1.69 3.25 -3.78 -1.34 5.75 -1.26 -4.97 116.55 112.50 1jiq n ASP 372 Ca 0.16 -3.75 -0.09 0.00 -0.01 0.00 0.00 54.79 51.09 1jiq n ASP 372 Cb 0.48 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 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 -3.36 0.17 0.49 2.11 -3.43 -1.26 -4.98 115.29 105.04 1jiq s HIS 373 Ca 0.44 -0.60 -0.20 0.00 -0.80 0.00 0.00 55.06 53.90 1jiq s HIS 373 Cb 0.39 0.44 -0.08 0.00 -1.43 0.00 0.00 32.58 31.90 1jiq s HIS 373 CO -0.02 -1.16 1.07 -0.65 -2.00 0.00 0.00 174.74 171.98 1jiq s GLN 374 N -3.73 3.70 0.00 -0.38 -1.52 -1.26 -5.07 119.66 111.40 1jiq s GLN 374 Ca 0.18 1.46 0.00 0.00 -1.95 0.00 0.00 55.36 55.05 1jiq s GLN 374 Cb -0.03 -2.11 0.00 0.00 -0.22 0.00 0.00 33.01 30.65 1jiq s GLN 374 CO 0.09 -0.53 0.00 0.25 -0.25 0.00 0.00 175.29 174.85 1jiq n THR 375 N -0.98 0.00 -1.60 -0.19 -2.24 -1.26 -4.89 114.28 103.13 1jiq n THR 375 Ca 0.10 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.48 1jiq n THR 375 Cb 0.52 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.78 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 -0.40 3.93 3.38 0.00 -0.71 -5.00 105.19 111.40 1jiq n GLY 376 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.38 2.81 -0.27 1.61 0.04 -1.26 -4.81 135.00 130.75 1jiq s PRO 377 Ca 0.70 -0.23 -0.28 0.00 0.04 0.00 0.00 61.00 61.22 1jiq s PRO 377 Cb -0.47 -2.34 0.01 0.00 0.04 0.00 0.00 34.50 31.73 1jiq s PRO 377 CO 0.52 -0.68 1.01 0.42 0.04 0.00 0.00 177.00 178.31 1jiq s ILE 378 N -2.91 4.65 -0.06 0.56 1.01 -0.26 -4.69 121.20 119.50 1jiq s ILE 378 Ca 0.54 1.83 -0.13 0.00 0.00 0.00 0.00 60.65 62.89 1jiq s ILE 378 Cb -0.10 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1jiq s ILE 378 CO 0.43 -0.27 0.32 -0.69 0.00 0.00 0.00 174.94 174.73 1jiq s VAL 379 N 3.29 5.20 0.29 2.92 1.01 -1.26 -1.16 120.40 130.69 1jiq s VAL 379 Ca 0.43 0.64 -0.18 0.00 0.00 0.00 0.00 61.98 62.86 1jiq s VAL 379 Cb -0.14 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1jiq s VAL 379 CO 0.10 0.55 0.69 -1.66 0.00 0.00 0.00 175.10 174.77 1jiq s TRP 380 N -0.74 -0.02 0.00 5.22 1.48 -1.00 -4.77 118.94 119.11 1jiq s TRP 380 Ca 0.20 -0.45 0.00 0.00 -1.06 0.00 0.00 56.10 54.79 1jiq s TRP 380 Cb -0.15 0.62 0.00 0.00 -1.16 0.00 0.00 33.47 32.79 1jiq s TRP 380 CO 0.09 -1.25 0.00 0.41 -4.06 0.00 0.00 176.95 172.14 1jiq n GLY 381 N -0.46 3.75 3.19 3.67 0.00 -1.26 -0.56 105.19 113.52 1jiq n GLY 381 Ca -0.04 -1.22 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.50 0.90 0.53 1.61 0.41 -1.26 -4.80 118.70 113.60 1jiq s GLU 382 Ca 0.00 -1.16 -0.21 0.00 -0.41 0.00 0.00 54.97 53.19 1jiq s GLU 382 Cb 0.00 -0.67 -0.06 0.00 -1.78 0.00 0.00 34.13 31.62 1jiq s GLU 382 CO 0.00 0.12 1.19 -1.25 -0.49 0.00 0.00 175.26 174.83 1jiq s PRO 383 N -2.65 3.34 0.42 0.39 0.04 -1.26 -4.34 135.00 130.94 1jiq s PRO 383 Ca 0.06 1.80 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 1jiq s PRO 383 Cb -0.04 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 1jiq s PRO 383 CO 0.01 -0.90 0.92 0.20 0.04 0.00 0.00 177.00 177.27 1jiq s GLY 384 N -1.49 2.35 0.00 0.56 0.00 -0.30 -1.32 107.32 107.13 1jiq s GLY 384 Ca 0.71 0.32 0.21 0.00 0.00 0.00 0.00 44.72 45.97 1jiq s GLY 384 CO 0.34 0.59 1.59 -1.30 0.00 0.00 0.00 173.10 174.32 1jiq n THR 385 N -0.68 0.17 0.01 0.90 -2.24 -1.26 -3.37 114.28 107.81 1jiq n THR 385 Ca 0.06 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1jiq n THR 385 Cb 0.54 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 2.02 -0.55 -0.79 3.42 2.35 -1.64 -1.98 115.58 118.43 1jiq h ASN 386 Ca 0.00 0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1jiq h ASN 386 Cb 0.44 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.02 1jiq h ASN 386 CO 0.00 -0.23 0.41 1.23 -1.65 0.00 0.00 177.43 177.19 1jiq h GLY 387 N -0.24 1.20 0.38 2.83 0.00 -1.40 -1.60 103.07 104.24 1jiq h GLY 387 Ca 0.09 -0.56 0.16 0.00 0.00 0.00 0.00 47.33 47.02 1jiq h GLY 387 CO -0.24 0.53 0.60 -1.61 0.00 0.00 0.00 176.54 175.82 1jiq h GLN 388 N 1.12 0.73 -0.48 4.80 4.15 -1.64 0.25 115.11 124.05 1jiq h GLN 388 Ca 0.28 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1jiq h GLN 388 Cb 0.06 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1jiq h GLN 388 CO -0.04 0.48 0.00 0.72 -1.93 0.00 0.00 178.83 178.06 1jiq n HIS 389 N -4.62 0.63 -0.01 3.99 8.25 -0.62 -3.88 115.22 118.96 1jiq n HIS 389 Ca 0.20 -0.32 -0.03 0.00 -0.26 0.00 0.00 57.72 57.31 1jiq n HIS 389 Cb 0.50 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.59 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 0.94 1.98 -0.21 -1.41 0.00 -0.05 -4.95 120.51 116.81 1jiq n ALA 390 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1jiq n ALA 390 Cb 0.42 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 -3.69 0.00 0.28 0.00 1.16 -0.47 -4.74 117.46 110.00 1jiq n PHE 391 Ca -0.05 -0.14 0.16 0.00 -1.87 0.00 0.00 57.45 55.54 1jiq n PHE 391 Cb 0.19 -0.01 0.79 0.00 -1.61 0.00 0.00 39.48 38.84 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 -0.83 2.97 -1.99 -1.67 -2.03 116.97 113.42 1jiq h TYR 392 Ca 0.00 0.00 0.19 0.00 2.00 0.00 0.00 58.73 60.92 1jiq h TYR 392 Cb 0.29 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.90 1jiq h TYR 392 CO 0.00 0.07 0.30 0.37 -0.00 0.00 0.00 178.16 178.89 1jiq h GLN 393 N 0.00 0.34 -0.30 4.88 5.75 -1.85 -0.03 115.11 123.90 1jiq h GLN 393 Ca -0.00 -0.02 -0.14 0.00 -0.15 0.00 0.00 58.65 58.34 1jiq h GLN 393 Cb 0.37 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 1jiq h GLN 393 CO 0.01 0.23 -0.39 1.25 -2.65 0.00 0.00 178.83 177.27 1jiq h LEU 394 N 0.35 0.77 -0.66 -2.39 6.46 -1.73 -0.23 115.31 117.88 1jiq h LEU 394 Ca 0.49 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1jiq h LEU 394 Cb 0.88 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1jiq h LEU 394 CO -0.52 1.07 0.17 0.40 -0.62 0.00 0.00 178.44 178.94 1jiq h ILE 395 N 0.59 1.26 0.17 4.05 2.04 -1.24 0.05 117.51 124.43 1jiq h ILE 395 Ca 0.05 -0.93 -0.30 0.00 1.00 0.00 0.00 64.86 64.68 1jiq h ILE 395 Cb 0.93 0.60 0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1jiq h ILE 395 CO 0.08 0.36 -1.32 0.45 0.00 0.00 0.00 178.15 177.72 1jiq h HIS 396 N 0.98 0.78 0.00 1.37 3.86 -0.98 -3.41 115.15 117.75 1jiq h HIS 396 Ca 0.21 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1jiq h HIS 396 Cb 0.35 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1jiq h HIS 396 CO 0.03 1.41 -0.29 1.04 0.86 0.00 0.00 177.93 180.98 1jiq n GLN 397 N -3.66 0.44 -0.04 2.45 6.02 -0.11 -4.57 117.38 117.91 1jiq n GLN 397 Ca -0.12 -1.30 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 1jiq n GLN 397 Cb 1.04 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 31.55 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 -0.34 0.49 0.26 1.08 0.00 0.00 -4.94 105.19 101.74 1jiq n GLY 398 Ca 0.03 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.13 1.86 -5.02 2.61 -2.24 -1.26 -5.01 114.28 105.09 1jiq n THR 399 Ca 0.00 -2.02 -0.32 0.00 -2.27 0.00 0.00 64.05 59.44 1jiq n THR 399 Cb 0.00 -0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.62 2.35 -0.11 -0.78 3.01 -1.26 -5.11 119.74 115.21 1jiq s LYS 400 Ca 0.31 -0.79 -0.20 0.00 -1.01 0.00 0.00 55.97 54.27 1jiq s LYS 400 Cb 0.26 -2.25 -0.04 0.00 -1.01 0.00 0.00 37.83 34.79 1jiq s LYS 400 CO 0.04 0.60 0.58 1.41 0.51 0.00 0.00 175.35 178.50 1jiq s MET 401 N -0.73 4.35 -0.32 1.68 -2.45 -1.26 -4.95 119.30 115.63 1jiq s MET 401 Ca 0.11 0.63 -0.02 0.00 -1.25 0.00 0.00 55.69 55.17 1jiq s MET 401 Cb -0.10 -3.47 0.11 0.00 1.25 0.00 0.00 34.83 32.62 1jiq s MET 401 CO 0.00 0.05 0.13 0.42 1.05 0.00 0.00 175.02 176.67 1jiq s ILE 402 N 0.92 0.51 0.25 10.11 1.01 -1.26 -4.74 121.20 128.00 1jiq s ILE 402 Ca 0.31 -1.29 -0.31 0.00 0.00 0.00 0.00 60.65 59.36 1jiq s ILE 402 Cb -0.16 -1.39 -0.12 0.00 0.01 0.00 0.00 42.46 40.79 1jiq s ILE 402 CO 0.13 -0.74 1.64 -2.65 0.00 0.00 0.00 174.94 173.32 1jiq n PRO 403 N 4.82 2.67 -4.90 2.79 -0.02 -1.26 -4.80 135.00 134.30 1jiq n PRO 403 Ca -0.01 0.96 -0.26 0.00 -2.02 0.00 0.00 63.50 62.16 1jiq n PRO 403 Cb 0.41 -2.76 -0.16 0.00 -0.02 0.00 0.00 33.50 30.97 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 -0.32 5.75 -0.21 0.00 1.01 0.41 -0.87 116.67 122.45 1jiq s ASP 405 Ca 0.04 -0.59 -0.14 0.00 0.71 0.00 0.00 52.55 52.58 1jiq s ASP 405 Cb -0.08 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 1jiq s ASP 405 CO 0.00 -0.25 0.30 -0.36 0.21 0.00 0.00 175.17 175.07 1jiq s PHE 406 N 1.64 3.37 0.05 4.23 0.40 0.09 -0.82 117.98 126.94 1jiq s PHE 406 Ca 0.05 0.48 0.07 0.00 -0.60 0.00 0.00 56.93 56.92 1jiq s PHE 406 Cb -0.18 -2.40 -0.03 0.00 0.51 0.00 0.00 43.02 40.93 1jiq s PHE 406 CO 0.08 0.06 -0.18 -0.51 0.70 0.00 0.00 175.22 175.37 1jiq s LEU 407 N 1.07 2.19 -0.20 -0.37 1.02 -1.05 -0.49 118.68 120.85 1jiq s LEU 407 Ca 0.15 -0.53 -0.27 0.00 0.02 0.00 0.00 54.13 53.50 1jiq s LEU 407 Cb -0.14 -0.82 0.09 0.00 0.02 0.00 0.00 46.19 45.34 1jiq s LEU 407 CO 0.06 0.10 0.81 -0.51 0.02 0.00 0.00 176.35 176.83 1jiq s ILE 408 N -0.88 0.00 0.12 -0.59 2.07 -0.75 0.64 121.20 121.81 1jiq s ILE 408 Ca 0.05 0.00 -0.24 0.00 -1.41 0.00 0.00 60.65 59.05 1jiq s ILE 408 Cb -0.09 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.43 1jiq s ILE 408 CO 0.02 0.00 0.74 -2.16 -1.91 0.00 0.00 174.94 171.63 1jiq s PRO 409 N -0.24 4.49 0.13 3.50 0.04 -1.26 -1.96 135.00 139.70 1jiq s PRO 409 Ca -0.02 1.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 1jiq s PRO 409 Cb -0.03 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.20 1jiq s PRO 409 CO 0.02 0.50 1.71 0.28 0.04 0.00 0.00 177.00 179.55 1jiq h VAL 410 N 3.58 1.16 -3.33 -0.36 2.07 -0.58 -3.42 116.25 115.37 1jiq h VAL 410 Ca -0.47 -0.45 -0.60 0.00 0.82 0.00 0.00 66.70 66.00 1jiq h VAL 410 Cb 1.21 0.82 -0.12 0.00 -1.52 0.00 0.00 31.29 31.67 1jiq h VAL 410 CO 0.67 0.17 -0.49 -1.10 0.02 0.00 0.00 177.57 176.84 1jiq s GLN 411 N -5.74 4.17 0.31 1.57 -0.21 0.04 -5.03 119.66 114.77 1jiq s GLN 411 Ca -0.13 -0.22 -0.09 0.00 0.02 0.00 0.00 55.36 54.94 1jiq s GLN 411 Cb 0.10 -3.44 -0.07 0.00 1.00 0.00 0.00 33.01 30.60 1jiq s GLN 411 CO 0.73 0.25 0.64 -0.08 -2.12 0.00 0.00 175.29 174.71 1jiq s THR 412 N 0.51 4.88 -0.15 -0.19 -1.32 -1.26 -4.47 115.64 113.64 1jiq s THR 412 Ca 0.08 0.45 0.29 0.00 -1.21 0.00 0.00 61.69 61.30 1jiq s THR 412 Cb -0.12 -3.69 0.36 0.00 -1.51 0.00 0.00 72.50 67.55 1jiq s THR 412 CO -0.01 -0.30 1.85 1.56 -2.21 0.00 0.00 174.62 175.52 1jiq h GLN 413 N 1.86 0.00 -2.53 7.08 1.08 -1.98 -3.38 115.11 117.24 1jiq h GLN 413 Ca -0.47 0.00 -0.60 0.00 -1.45 0.00 0.00 58.65 56.13 1jiq h GLN 413 Cb 1.18 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.22 1jiq h GLN 413 CO 0.66 0.00 -0.85 0.72 -0.95 0.00 0.00 178.83 178.41 1jiq n HIS 414 N -2.94 0.57 -0.95 2.96 8.25 -1.26 -5.00 115.22 116.85 1jiq n HIS 414 Ca 0.02 -3.67 -0.18 0.00 -0.26 0.00 0.00 57.72 53.64 1jiq n HIS 414 Cb 0.36 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 31.26 1jiq n HIS 414 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1jiq n PRO 415 N 2.35 2.19 -1.30 -0.41 -0.04 -1.26 -4.90 135.00 131.63 1jiq n PRO 415 Ca 0.26 -1.20 -0.31 0.00 -0.04 0.00 0.00 63.50 62.21 1jiq n PRO 415 Cb 0.44 -2.16 0.10 0.00 -0.04 0.00 0.00 33.50 31.83 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 1.64 3.25 -1.54 0.52 -4.36 -1.26 -3.32 121.20 116.13 1jiq s ILE 416 Ca 0.59 0.41 -0.14 0.00 -0.26 0.00 0.00 60.65 61.25 1jiq s ILE 416 Cb 0.24 -2.94 0.09 0.00 1.25 0.00 0.00 42.46 41.10 1jiq s ILE 416 CO -0.02 -0.53 0.94 0.54 0.24 0.00 0.00 174.94 176.12 1jiq n ARG 417 N -3.55 -5.22 -3.28 0.37 5.12 -1.26 -0.93 116.66 107.91 1jiq n ARG 417 Ca 0.08 0.57 -0.23 0.00 -1.93 0.00 0.00 57.85 56.34 1jiq n ARG 417 Cb 0.54 -5.42 0.01 0.00 -1.16 0.00 0.00 32.46 26.43 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 -4.63 -4.03 -0.52 5.56 5.02 -1.24 -1.88 118.16 116.43 1jiq n LYS 418 Ca 0.03 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1jiq n LYS 418 Cb 0.53 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 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 -1.32 0.75 0.11 0.72 0.00 -0.11 -4.98 105.19 100.36 1jiq n GLY 419 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 0.11 -0.44 0.99 5.85 -1.33 -0.58 115.31 119.91 1jiq h LEU 420 Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1jiq h LEU 420 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1jiq h LEU 420 CO 0.00 0.09 0.25 0.45 -0.34 0.00 0.00 178.44 178.89 1jiq h HIS 421 N 0.19 0.47 -0.04 1.25 3.86 -1.84 -2.05 115.15 116.99 1jiq h HIS 421 Ca 0.09 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 1jiq h HIS 421 Cb 0.05 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1jiq h HIS 421 CO -0.11 0.26 -0.50 1.25 0.86 0.00 0.00 177.93 179.69 1jiq h HIS 422 N 0.50 0.11 -0.39 2.45 -0.00 -1.80 -0.53 115.15 115.49 1jiq h HIS 422 Ca 0.18 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 1jiq h HIS 422 Cb 0.03 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.40 1jiq h HIS 422 CO -0.08 0.58 0.20 -0.22 -0.00 0.00 0.00 177.93 178.41 1jiq h LYS 423 N 0.07 0.56 -0.52 5.26 3.64 -0.78 0.13 116.57 124.93 1jiq h LYS 423 Ca 0.00 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 1jiq h LYS 423 Cb 0.92 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1jiq h LYS 423 CO 0.07 0.48 -0.10 0.82 -2.27 0.00 0.00 179.45 178.45 1jiq h ILE 424 N 0.50 1.26 0.07 2.00 2.04 -0.98 -0.54 117.51 121.87 1jiq h ILE 424 Ca 0.14 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 1jiq h ILE 424 Cb 0.09 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1jiq h ILE 424 CO -0.02 0.43 -0.03 0.25 0.00 0.00 0.00 178.15 178.78 1jiq h LEU 425 N 0.86 -0.07 -0.77 1.44 5.85 -0.85 -1.33 115.31 120.43 1jiq h LEU 425 Ca 0.14 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1jiq h LEU 425 Cb 0.64 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1jiq h LEU 425 CO 0.04 0.06 0.47 -0.07 -0.34 0.00 0.00 178.44 178.60 1jiq h LEU 426 N -0.21 0.75 -1.28 2.25 3.38 -0.86 -0.39 115.31 118.96 1jiq h LEU 426 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jiq h LEU 426 Cb 0.18 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1jiq h LEU 426 CO 0.01 0.50 0.25 0.00 0.09 0.00 0.00 178.44 179.29 1jiq h ALA 427 N 1.35 1.44 0.01 1.53 0.00 -0.69 -1.03 119.26 121.88 1jiq h ALA 427 Ca 0.32 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.85 1jiq h ALA 427 Cb 0.10 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.70 1jiq h ALA 427 CO -0.15 0.44 -1.05 -0.91 0.00 0.00 0.00 179.25 177.58 1jiq h ASN 428 N 0.75 0.90 -0.53 0.00 4.21 -0.70 -0.70 115.58 119.51 1jiq h ASN 428 Ca 0.19 -0.75 0.10 0.00 1.21 0.00 0.00 56.30 57.05 1jiq h ASN 428 Cb 0.09 -0.28 -0.08 0.00 -1.12 0.00 0.00 38.32 36.93 1jiq h ASN 428 CO -0.02 1.54 0.05 0.15 -1.29 0.00 0.00 177.43 177.86 1jiq h PHE 429 N 0.36 0.07 -0.09 1.19 3.57 -0.61 -1.09 116.94 120.34 1jiq h PHE 429 Ca -0.14 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 1jiq h PHE 429 Cb 1.71 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.50 1jiq h PHE 429 CO 0.11 -0.07 -0.20 -0.07 -2.23 0.00 0.00 178.31 175.84 1jiq h LEU 430 N 0.18 0.33 -1.20 0.59 3.38 -1.17 -3.30 115.31 114.12 1jiq h LEU 430 Ca 0.27 -0.58 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1jiq h LEU 430 Cb 0.40 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1jiq h LEU 430 CO -0.40 0.85 -0.03 0.00 0.09 0.00 0.00 178.44 178.95 1jiq h ALA 431 N 0.49 1.35 -0.37 1.53 0.00 -0.88 -2.15 119.26 119.23 1jiq h ALA 431 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1jiq h ALA 431 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jiq h ALA 431 CO 0.04 0.45 -0.01 1.96 0.00 0.00 0.00 179.25 181.69 1jiq h GLN 432 N 0.49 0.65 -0.18 0.00 1.08 -1.28 0.20 115.11 116.06 1jiq h GLN 432 Ca 0.10 -0.21 -0.15 0.00 -1.45 0.00 0.00 58.65 56.94 1jiq h GLN 432 Cb 0.37 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1jiq h GLN 432 CO 0.01 0.77 -0.52 1.79 -0.95 0.00 0.00 178.83 179.93 1jiq h THR 433 N 0.47 1.32 -0.44 -0.54 1.35 -1.60 -0.85 112.91 112.62 1jiq h THR 433 Ca 0.10 -1.76 0.01 0.00 -0.55 0.00 0.00 66.41 64.22 1jiq h THR 433 Cb 0.48 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.62 1jiq h THR 433 CO 0.02 0.55 0.27 -0.08 -0.25 0.00 0.00 175.52 176.03 1jiq h GLU 434 N 0.41 0.53 -0.37 4.72 4.81 -1.20 -1.53 114.58 121.95 1jiq h GLU 434 Ca 0.01 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1jiq h GLU 434 Cb 1.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1jiq h GLU 434 CO 0.10 0.35 -0.00 0.00 -0.73 0.00 0.00 179.01 178.73 1jiq h ALA 435 N 1.18 0.50 -0.95 2.92 0.00 -0.39 0.16 119.26 122.69 1jiq h ALA 435 Ca 0.17 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jiq h ALA 435 Cb -0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1jiq h ALA 435 CO -0.06 0.27 0.62 -0.07 0.00 0.00 0.00 179.25 180.01 1jiq h LEU 436 N 0.47 1.03 -0.00 0.00 3.38 -0.99 -0.28 115.31 118.91 1jiq h LEU 436 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1jiq h LEU 436 Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jiq h LEU 436 CO 0.02 0.70 -0.03 -0.03 0.09 0.00 0.00 178.44 179.19 1jiq h MET 437 N 1.19 0.03 -0.02 1.13 4.05 -1.06 -1.03 114.93 119.23 1jiq h MET 437 Ca 0.38 -0.03 -0.18 0.00 -0.28 0.00 0.00 59.70 59.59 1jiq h MET 437 Cb 0.02 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1jiq h MET 437 CO -0.12 0.74 -0.71 0.00 0.23 0.00 0.00 176.91 177.06 1jiq h ARG 438 N -0.68 0.51 0.00 0.39 2.47 -0.79 -1.96 114.38 114.33 1jiq h ARG 438 Ca -0.00 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 58.19 1jiq h ARG 438 Cb 0.75 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1jiq h ARG 438 CO 0.01 1.16 0.00 0.41 0.56 0.00 0.00 179.97 182.11 1jiq n GLY 439 N 1.01 -0.52 3.08 0.04 0.00 -0.13 -4.68 105.19 103.99 1jiq n GLY 439 Ca -0.10 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 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 0.32 0.79 1.61 2.20 0.01 -4.91 119.74 119.76 1jiq s LYS 440 Ca 0.00 0.78 -0.11 0.00 -0.36 0.00 0.00 55.97 56.28 1jiq s LYS 440 Cb 0.00 -0.08 0.06 0.00 -1.51 0.00 0.00 37.83 36.31 1jiq s LYS 440 CO 0.00 -0.44 1.09 -1.54 -0.36 0.00 0.00 175.35 174.10 1jiq s SER 441 N 2.57 4.52 0.22 1.43 1.04 -1.26 -1.31 113.70 120.91 1jiq s SER 441 Ca 0.05 1.50 -0.08 0.00 0.48 0.00 0.00 55.95 57.91 1jiq s SER 441 Cb -0.14 -2.25 0.36 0.00 0.10 0.00 0.00 66.02 64.09 1jiq s SER 441 CO -0.14 -1.98 1.71 0.74 0.98 0.00 0.00 173.24 174.56 1jiq h THR 442 N -1.09 0.65 -0.37 2.02 2.02 -1.95 0.11 112.91 114.30 1jiq h THR 442 Ca -0.46 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1jiq h THR 442 Cb 1.25 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 1jiq h THR 442 CO 0.56 0.06 0.24 -0.08 0.37 0.00 0.00 175.52 176.68 1jiq h GLU 443 N 0.33 0.48 -0.63 6.66 4.81 -2.00 0.10 114.58 124.34 1jiq h GLU 443 Ca 0.36 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1jiq h GLU 443 Cb 0.53 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1jiq h GLU 443 CO -0.40 0.31 0.13 0.93 -0.73 0.00 0.00 179.01 179.25 1jiq h GLU 444 N 0.49 1.02 -0.45 1.92 5.08 -1.71 -2.53 114.58 118.40 1jiq h GLU 444 Ca 0.14 -0.26 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1jiq h GLU 444 Cb -0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1jiq h GLU 444 CO -0.03 0.93 -0.13 0.00 -1.00 0.00 0.00 179.01 178.78 1jiq h ALA 445 N 1.04 0.62 -0.49 3.43 0.00 -0.48 -2.59 119.26 120.79 1jiq h ALA 445 Ca 0.19 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jiq h ALA 445 Cb 0.39 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1jiq h ALA 445 CO 0.01 0.53 0.27 -0.09 0.00 0.00 0.00 179.25 179.97 1jiq h ARG 446 N 0.71 0.52 -0.87 0.00 2.43 -0.66 -1.81 114.38 114.72 1jiq h ARG 446 Ca 0.11 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1jiq h ARG 446 Cb 0.68 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 1jiq h ARG 446 CO 0.05 0.35 0.57 0.87 -1.51 0.00 0.00 179.97 180.30 1jiq h LYS 447 N 0.54 1.14 -0.16 0.20 1.57 -1.25 -0.70 116.57 117.91 1jiq h LYS 447 Ca 0.21 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1jiq h LYS 447 Cb 0.07 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1jiq h LYS 447 CO -0.12 0.75 0.07 0.93 -0.57 0.00 0.00 179.45 180.52 1jiq h GLU 448 N 1.17 0.23 -0.65 3.15 5.08 -1.04 -0.60 114.58 121.92 1jiq h GLU 448 Ca 0.32 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1jiq h GLU 448 Cb -0.13 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1jiq h GLU 448 CO -0.07 0.29 0.29 -0.07 -1.00 0.00 0.00 179.01 178.44 1jiq h LEU 449 N 0.12 0.85 -0.14 1.33 3.38 -0.84 0.09 115.31 120.09 1jiq h LEU 449 Ca 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1jiq h LEU 449 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jiq h LEU 449 CO -0.01 0.74 0.01 1.56 0.09 0.00 0.00 178.44 180.83 1jiq h GLN 450 N 0.93 0.24 0.00 1.13 4.20 -1.04 -1.90 115.11 118.67 1jiq h GLN 450 Ca 0.22 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1jiq h GLN 450 Cb 0.13 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 1jiq h GLN 450 CO -0.03 0.46 -0.01 0.00 -0.67 0.00 0.00 178.83 178.59 1jiq h ALA 451 N 0.77 1.58 -0.00 3.87 0.00 -0.57 -0.09 119.26 124.81 1jiq h ALA 451 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1jiq h ALA 451 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1jiq h ALA 451 CO 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.23 1jiq n ALA 452 N -2.35 2.67 -0.95 0.00 0.00 -0.03 -4.91 120.51 114.94 1jiq n ALA 452 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1jiq n ALA 452 Cb 0.09 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.15 0.47 3.77 0.00 0.00 -0.05 -5.00 105.19 105.54 1jiq n GLY 453 Ca 0.19 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.02 4.14 0.88 1.61 -0.14 -0.75 -4.97 119.74 119.48 1jiq s LYS 454 Ca 0.00 2.41 -0.11 0.00 -1.36 0.00 0.00 55.97 56.91 1jiq s LYS 454 Cb 0.00 -2.95 0.12 0.00 -1.68 0.00 0.00 37.83 33.32 1jiq s LYS 454 CO 0.00 -0.45 1.10 -1.54 -0.76 0.00 0.00 175.35 173.71 1jiq s SER 455 N -0.34 3.50 0.28 2.83 1.04 -1.26 -4.74 113.70 115.01 1jiq s SER 455 Ca 0.53 1.80 -0.03 0.00 0.48 0.00 0.00 55.95 58.72 1jiq s SER 455 Cb -0.43 -2.41 0.38 0.00 0.10 0.00 0.00 66.02 63.66 1jiq s SER 455 CO 0.58 -2.67 1.94 -0.65 0.98 0.00 0.00 173.24 173.43 1jiq h PRO 456 N -1.57 1.17 -0.09 4.02 0.11 -1.98 0.19 132.00 133.85 1jiq h PRO 456 Ca -0.47 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1jiq h PRO 456 Cb 1.26 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1jiq h PRO 456 CO 0.50 0.78 -0.03 1.49 -0.21 0.00 0.00 178.00 180.52 1jiq h GLU 457 N 1.21 0.19 -0.81 1.05 4.22 -1.99 -1.10 114.58 117.34 1jiq h GLU 457 Ca 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.68 1jiq h GLU 457 Cb -0.08 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1jiq h GLU 457 CO -0.09 0.52 0.37 -0.44 -2.18 0.00 0.00 179.01 177.19 1jiq h ASP 458 N -0.15 1.07 -0.15 1.04 3.45 -1.89 -1.74 116.42 118.05 1jiq h ASP 458 Ca 0.02 -0.14 -0.00 0.00 0.43 0.00 0.00 57.03 57.34 1jiq h ASP 458 Cb 0.45 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 1jiq h ASP 458 CO 0.01 0.91 0.08 0.25 -1.57 0.00 0.00 179.24 178.92 1jiq h LEU 459 N 1.16 0.19 -1.05 1.55 6.46 -0.47 -1.46 115.31 121.69 1jiq h LEU 459 Ca 0.28 -0.10 -0.08 0.00 -0.12 0.00 0.00 57.88 57.86 1jiq h LEU 459 Cb 0.14 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.01 1jiq h LEU 459 CO -0.03 0.24 -0.19 -0.33 -0.62 0.00 0.00 178.44 177.51 1jiq h GLU 460 N 0.14 0.45 -0.32 1.25 4.39 -0.97 0.85 114.58 120.37 1jiq h GLU 460 Ca 0.05 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 1jiq h GLU 460 Cb 0.09 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1jiq h GLU 460 CO -0.01 0.63 0.00 -0.09 -1.16 0.00 0.00 179.01 178.38 1jiq h ARG 461 N 0.41 0.56 0.02 2.33 2.43 -1.10 -3.30 114.38 115.73 1jiq h ARG 461 Ca 0.07 -0.18 -0.25 0.00 -0.81 0.00 0.00 59.98 58.82 1jiq h ARG 461 Cb 0.57 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1jiq h ARG 461 CO 0.04 0.69 -1.27 1.25 -1.51 0.00 0.00 179.97 179.17 1jiq h LEU 462 N 0.36 0.07 -0.85 3.80 5.85 -1.03 -3.41 115.31 120.09 1jiq h LEU 462 Ca 0.09 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1jiq h LEU 462 Cb 0.44 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.34 1jiq h LEU 462 CO 0.02 1.08 -0.50 -0.11 -0.34 0.00 0.00 178.44 178.58 1jiq n LEU 463 N -3.29 -0.91 0.05 2.25 7.94 0.27 -0.72 117.00 122.59 1jiq n LEU 463 Ca -0.07 1.66 0.09 0.00 -1.11 0.00 0.00 56.01 56.58 1jiq n LEU 463 Cb 0.99 -0.27 0.54 0.00 0.53 0.00 0.00 43.42 45.21 1jiq n LEU 463 CO 0.47 -1.31 1.15 1.55 -1.11 0.00 0.00 177.39 178.14 1jiq h PRO 464 N 0.00 0.29 0.00 1.96 0.13 -1.79 -1.17 132.00 131.42 1jiq h PRO 464 Ca 0.14 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1jiq h PRO 464 Cb 0.35 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 1jiq h PRO 464 CO -0.80 0.19 -0.02 0.45 -0.23 0.00 0.00 178.00 177.59 1jiq h HIS 465 N 0.30 0.00 -0.02 1.56 3.86 -1.20 -3.03 115.15 116.63 1jiq h HIS 465 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1jiq h HIS 465 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 1jiq h HIS 465 CO -0.00 0.02 -0.08 1.63 0.86 0.00 0.00 177.93 180.36 1jiq n LYS 466 N -3.12 1.58 -3.07 2.45 4.76 -0.44 -4.92 118.16 115.39 1jiq n LYS 466 Ca 0.00 -1.03 -0.39 0.00 -2.87 0.00 0.00 58.31 54.02 1jiq n LYS 466 Cb 0.30 -1.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 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 -2.13 4.74 -0.22 -0.18 1.01 -1.15 -4.90 120.40 117.57 1jiq s VAL 467 Ca 0.32 1.49 -0.03 0.00 0.00 0.00 0.00 61.98 63.77 1jiq s VAL 467 Cb 0.20 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1jiq s VAL 467 CO 0.38 0.41 -0.06 -0.36 0.00 0.00 0.00 175.10 175.47 1jiq s PHE 468 N -0.29 2.97 0.22 5.22 0.40 -0.43 -4.94 117.98 121.13 1jiq s PHE 468 Ca 0.35 -1.16 0.31 0.00 -0.60 0.00 0.00 56.93 55.83 1jiq s PHE 468 Cb -0.20 -2.08 1.36 0.00 0.51 0.00 0.00 43.02 42.61 1jiq s PHE 468 CO 0.21 -0.62 1.99 0.93 0.70 0.00 0.00 175.22 178.43 1jiq h GLU 469 N 8.08 0.00 0.00 0.44 5.08 -1.82 0.06 114.58 126.42 1jiq h GLU 469 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1jiq h GLU 469 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1jiq h GLU 469 CO 0.60 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 179.11 1jiq n GLY 470 N -0.18 0.98 2.39 -3.84 0.00 -1.26 -4.76 105.19 98.52 1jiq n GLY 470 Ca -0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.12 -5.29 -4.51 1.61 5.15 -0.74 -4.93 115.26 103.43 1jiq n ASN 471 Ca 0.00 0.08 -0.40 0.00 -0.60 0.00 0.00 54.58 53.66 1jiq n ASN 471 Cb 0.00 -4.36 -0.11 0.00 -0.53 0.00 0.00 39.78 34.78 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 -4.62 3.39 0.34 1.20 0.52 -0.43 -4.92 118.95 114.43 1jiq s ARG 472 Ca 0.00 -0.71 -0.22 0.00 -0.52 0.00 0.00 55.73 54.27 1jiq s ARG 472 Cb 0.00 -3.80 -0.10 0.00 0.52 0.00 0.00 34.95 31.57 1jiq s ARG 472 CO 0.00 -0.49 0.89 -1.25 0.02 0.00 0.00 175.30 174.47 1jiq s PRO 473 N 1.70 4.37 0.07 3.54 0.04 -1.26 -3.91 135.00 139.56 1jiq s PRO 473 Ca 0.06 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.17 1jiq s PRO 473 Cb -0.18 -2.60 -0.02 0.00 0.04 0.00 0.00 34.50 31.75 1jiq s PRO 473 CO 0.10 0.20 0.11 0.95 0.04 0.00 0.00 177.00 178.40 1jiq s THR 474 N -1.80 0.17 -0.04 1.26 -4.23 -0.39 -3.38 115.64 107.24 1jiq s THR 474 Ca 0.53 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.62 1jiq s THR 474 Cb -0.15 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 1jiq s THR 474 CO 0.20 -0.78 0.05 0.20 -0.54 0.00 0.00 174.62 173.75 1jiq s ASN 475 N -2.87 5.54 -0.20 3.99 0.02 -0.05 -4.03 114.94 117.35 1jiq s ASN 475 Ca 0.05 0.15 0.02 0.00 -1.02 0.00 0.00 52.86 52.06 1jiq s ASN 475 Cb 0.06 -1.58 0.03 0.00 0.02 0.00 0.00 41.25 39.78 1jiq s ASN 475 CO -0.11 0.32 -0.16 -0.44 0.02 0.00 0.00 177.10 176.73 1jiq s SER 476 N -1.40 3.53 -0.30 -1.22 0.01 -0.30 -0.73 113.70 113.29 1jiq s SER 476 Ca 0.19 -0.89 -0.02 0.00 1.31 0.00 0.00 55.95 56.54 1jiq s SER 476 Cb -0.12 -1.47 0.05 0.00 0.21 0.00 0.00 66.02 64.69 1jiq s SER 476 CO 0.09 -0.07 0.01 -0.63 0.41 0.00 0.00 173.24 173.05 1jiq s ILE 477 N 1.25 3.11 -0.08 1.44 1.01 0.36 -0.37 121.20 127.91 1jiq s ILE 477 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 60.65 59.36 1jiq s ILE 477 Cb -0.15 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1jiq s ILE 477 CO -0.10 -0.10 -0.17 -0.69 0.00 0.00 0.00 174.94 173.88 1jiq s VAL 478 N 1.28 2.78 0.08 2.92 1.01 -0.43 -1.81 120.40 126.24 1jiq s VAL 478 Ca -0.04 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1jiq s VAL 478 Cb -0.20 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1jiq s VAL 478 CO -0.01 0.56 -0.07 0.72 0.00 0.00 0.00 175.10 176.31 1jiq s PHE 479 N -0.17 0.84 0.08 5.22 -0.12 -0.83 0.37 117.98 123.37 1jiq s PHE 479 Ca -0.01 -0.80 -0.26 0.00 -0.05 0.00 0.00 56.93 55.81 1jiq s PHE 479 Cb -0.14 -0.49 -0.16 0.00 -0.63 0.00 0.00 43.02 41.60 1jiq s PHE 479 CO 0.03 -0.13 1.68 1.15 -0.05 0.00 0.00 175.22 177.90 1jiq h THR 480 N 3.39 0.83 -2.11 -4.49 2.02 -1.66 0.12 112.91 111.01 1jiq h THR 480 Ca -0.35 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.71 1jiq h THR 480 Cb 1.18 0.87 -0.21 0.00 -1.74 0.00 0.00 68.15 68.25 1jiq h THR 480 CO 0.58 0.01 0.10 -0.75 0.37 0.00 0.00 175.52 175.83 1jiq s LYS 481 N -6.04 0.87 -1.23 6.66 2.20 -1.26 -0.78 119.74 120.16 1jiq s LYS 481 Ca -0.14 0.69 -0.17 0.00 -0.36 0.00 0.00 55.97 55.99 1jiq s LYS 481 Cb 0.05 0.42 0.11 0.00 -1.51 0.00 0.00 37.83 36.90 1jiq s LYS 481 CO 0.65 -0.17 1.57 -1.17 -0.36 0.00 0.00 175.35 175.87 1jiq s LEU 482 N -0.19 4.36 0.51 5.43 2.96 -1.26 -4.69 118.68 125.80 1jiq s LEU 482 Ca -0.04 -2.59 0.03 0.00 -0.22 0.00 0.00 54.13 51.31 1jiq s LEU 482 Cb -0.03 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.18 1jiq s LEU 482 CO 0.04 -1.02 0.71 0.42 -1.32 0.00 0.00 176.35 175.19 1jiq s THR 483 N 3.14 2.80 0.21 3.68 -4.23 -1.26 -4.90 115.64 115.09 1jiq s THR 483 Ca 0.48 -0.76 -0.09 0.00 -1.18 0.00 0.00 61.69 60.15 1jiq s THR 483 Cb 0.01 -3.01 0.16 0.00 1.34 0.00 0.00 72.50 70.99 1jiq s THR 483 CO 0.03 -0.01 1.74 -0.65 -0.54 0.00 0.00 174.62 175.19 1jiq h PRO 484 N 0.24 0.38 -0.38 3.99 0.11 -1.92 -0.11 132.00 134.30 1jiq h PRO 484 Ca -0.42 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1jiq h PRO 484 Cb 1.29 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1jiq h PRO 484 CO 0.50 0.25 0.18 0.35 -0.21 0.00 0.00 178.00 179.08 1jiq h PHE 485 N 0.39 0.55 -0.50 0.65 3.57 -1.87 -1.84 116.94 117.88 1jiq h PHE 485 Ca 0.32 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1jiq h PHE 485 Cb 0.42 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1jiq h PHE 485 CO -0.18 0.46 -0.07 1.98 -2.23 0.00 0.00 178.31 178.27 1jiq h MET 486 N 0.48 0.89 -0.63 1.11 4.05 -1.72 -1.90 114.93 117.22 1jiq h MET 486 Ca 0.13 -0.29 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1jiq h MET 486 Cb 0.11 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1jiq h MET 486 CO -0.02 0.93 0.39 1.25 0.23 0.00 0.00 176.91 179.69 1jiq h LEU 487 N 0.81 0.75 -0.67 3.39 5.85 -0.87 -0.70 115.31 123.88 1jiq h LEU 487 Ca 0.14 -0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1jiq h LEU 487 Cb 0.58 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1jiq h LEU 487 CO 0.04 0.58 0.35 1.23 -0.34 0.00 0.00 178.44 180.30 1jiq h GLY 488 N 0.86 0.98 0.93 3.75 0.00 -0.94 -0.28 103.07 108.37 1jiq h GLY 488 Ca 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 1jiq h GLY 488 CO -0.04 0.12 0.13 0.00 0.00 0.00 0.00 176.54 176.74 1jiq h ALA 489 N 1.37 0.51 -0.52 3.60 0.00 -0.83 -1.56 119.26 121.83 1jiq h ALA 489 Ca 0.31 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1jiq h ALA 489 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1jiq h ALA 489 CO -0.21 0.14 0.11 -0.07 0.00 0.00 0.00 179.25 179.22 1jiq h LEU 490 N 0.48 0.80 -0.13 0.00 3.38 -0.64 -0.54 115.31 118.66 1jiq h LEU 490 Ca 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1jiq h LEU 490 Cb 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jiq h LEU 490 CO -0.01 0.84 0.03 0.58 0.09 0.00 0.00 178.44 179.97 1jiq h VAL 491 N 0.72 1.21 -0.74 1.22 2.07 -0.98 -2.60 116.25 117.15 1jiq h VAL 491 Ca 0.16 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.09 1jiq h VAL 491 Cb 0.36 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1jiq h VAL 491 CO 0.00 0.19 0.48 0.00 0.02 0.00 0.00 177.57 178.27 1jiq h ALA 492 N 0.81 1.67 -0.47 1.67 0.00 -1.18 -1.15 119.26 120.61 1jiq h ALA 492 Ca 0.04 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1jiq h ALA 492 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1jiq h ALA 492 CO 0.00 0.22 0.27 1.98 0.00 0.00 0.00 179.25 181.73 1jiq h MET 493 N 0.80 0.53 -0.22 0.00 -1.53 -0.75 -1.13 114.93 112.62 1jiq h MET 493 Ca 0.31 -0.03 -0.14 0.00 -3.44 0.00 0.00 59.70 56.40 1jiq h MET 493 Cb 0.22 -0.12 -0.01 0.00 -0.55 0.00 0.00 31.60 31.14 1jiq h MET 493 CO -0.10 0.35 -0.44 1.88 0.14 0.00 0.00 176.91 178.74 1jiq h TYR 494 N 0.54 0.65 -0.59 1.39 -1.99 -1.01 -1.63 116.97 114.33 1jiq h TYR 494 Ca 0.19 -0.20 0.07 0.00 2.00 0.00 0.00 58.73 60.79 1jiq h TYR 494 Cb 0.04 -0.14 -0.06 0.00 2.00 0.00 0.00 36.73 38.57 1jiq h TYR 494 CO -0.07 0.89 0.28 0.93 -0.00 0.00 0.00 178.16 180.18 1jiq h GLU 495 N 0.44 0.50 0.00 4.88 5.08 -0.71 -1.36 114.58 123.41 1jiq h GLU 495 Ca 0.03 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1jiq h GLU 495 Cb 0.95 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1jiq h GLU 495 CO 0.08 0.33 -0.56 0.45 -1.00 0.00 0.00 179.01 178.31 1jiq h HIS 496 N 0.52 0.00 -0.03 4.33 3.86 -0.96 -1.66 115.15 121.21 1jiq h HIS 496 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 1jiq h HIS 496 Cb 0.24 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1jiq h HIS 496 CO -0.12 0.56 0.02 -0.22 0.86 0.00 0.00 177.93 179.03 1jiq h LYS 497 N 0.00 0.03 -0.68 2.45 3.64 -0.69 -1.35 116.57 119.97 1jiq h LYS 497 Ca -0.01 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1jiq h LYS 497 Cb 1.10 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1jiq h LYS 497 CO 0.07 0.02 0.44 0.82 -2.27 0.00 0.00 179.45 178.53 1jiq h ILE 498 N 0.03 1.12 -0.10 2.00 2.04 -1.08 -1.21 117.51 120.33 1jiq h ILE 498 Ca 0.01 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.58 1jiq h ILE 498 Cb -0.00 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1jiq h ILE 498 CO -0.00 0.16 0.02 0.15 0.00 0.00 0.00 178.15 178.47 1jiq h PHE 499 N 0.87 0.03 -0.77 1.37 3.57 -1.08 -1.54 116.94 119.38 1jiq h PHE 499 Ca 0.27 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1jiq h PHE 499 Cb -0.03 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1jiq h PHE 499 CO -0.04 0.01 0.48 0.28 -2.23 0.00 0.00 178.31 176.82 1jiq h VAL 500 N 0.06 1.21 -0.44 1.41 2.07 -0.78 -1.75 116.25 118.02 1jiq h VAL 500 Ca 0.04 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1jiq h VAL 500 Cb 0.04 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1jiq h VAL 500 CO -0.06 0.21 0.25 1.56 0.02 0.00 0.00 177.57 179.55 1jiq h GLN 501 N 1.05 0.61 -0.67 1.57 4.20 -0.99 -1.63 115.11 119.24 1jiq h GLN 501 Ca 0.28 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1jiq h GLN 501 Cb -0.07 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 1jiq h GLN 501 CO -0.06 0.48 0.44 0.78 -0.67 0.00 0.00 178.83 179.81 1jiq h GLY 502 N 0.58 0.95 1.00 3.46 0.00 -0.95 -0.61 103.07 107.50 1jiq h GLY 502 Ca 0.16 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 1jiq h GLY 502 CO -0.03 0.35 -0.20 -2.22 0.00 0.00 0.00 176.54 174.45 1jiq h ILE 503 N 0.92 1.28 -0.70 2.60 1.08 -0.86 -0.21 117.51 121.62 1jiq h ILE 503 Ca 0.25 -1.33 -0.06 0.00 -0.39 0.00 0.00 64.86 63.33 1jiq h ILE 503 Cb -0.10 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1jiq h ILE 503 CO -0.05 0.44 0.20 0.40 -0.69 0.00 0.00 178.15 178.45 1jiq h ILE 504 N 0.58 1.26 0.00 -0.67 2.04 -0.76 -2.38 117.51 117.57 1jiq h ILE 504 Ca 0.08 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1jiq h ILE 504 Cb 0.75 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1jiq h ILE 504 CO 0.06 0.35 0.00 0.79 0.00 0.00 0.00 178.15 179.35 1jiq n TRP 505 N -4.25 0.75 -2.41 1.37 8.01 -0.29 -4.50 117.44 116.12 1jiq n TRP 505 Ca 0.06 0.23 -0.13 0.00 -1.31 0.00 0.00 57.50 56.34 1jiq n TRP 505 Cb 0.24 -0.87 0.00 0.00 -2.01 0.00 0.00 31.31 28.67 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 -2.12 -4.19 -4.91 -0.99 2.03 -0.16 -4.73 116.55 101.48 1jiq n ASP 506 Ca 0.05 -0.07 -0.22 0.00 0.52 0.00 0.00 54.79 55.07 1jiq n ASP 506 Cb 0.38 -3.27 -0.01 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 -2.75 2.29 -0.47 5.18 -4.36 -0.81 -1.21 121.20 119.07 1jiq s ILE 507 Ca 0.06 -1.32 -0.17 0.00 -0.26 0.00 0.00 60.65 58.96 1jiq s ILE 507 Cb -0.03 -2.61 0.06 0.00 1.25 0.00 0.00 42.46 41.13 1jiq s ILE 507 CO 0.08 0.00 0.46 0.21 0.24 0.00 0.00 174.94 175.93 1jiq s ASN 508 N -4.27 6.17 0.00 4.36 3.84 -1.26 -4.60 114.94 119.18 1jiq s ASN 508 Ca 0.46 -1.09 0.19 0.00 0.21 0.00 0.00 52.86 52.64 1jiq s ASN 508 Cb -0.03 -2.22 0.98 0.00 -0.55 0.00 0.00 41.25 39.42 1jiq s ASN 508 CO 0.28 -0.70 1.59 -1.20 -2.79 0.00 0.00 177.10 174.28 1jiq n SER 509 N 5.54 0.00 -0.16 -4.21 7.64 -1.26 -3.97 113.62 117.21 1jiq n SER 509 Ca -0.10 -0.02 0.02 0.00 1.01 0.00 0.00 58.87 59.78 1jiq n SER 509 Cb 0.45 -0.27 0.01 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.27 0.00 -3.43 1.43 3.01 -1.26 -4.36 117.46 111.58 1jiq n PHE 510 Ca 0.09 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.34 1jiq n PHE 510 Cb 0.15 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.65 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 0.10 2.29 -2.72 4.37 3.85 -1.25 -4.97 116.55 118.21 1jiq n ASP 511 Ca 0.02 -2.59 -0.08 0.00 -0.71 0.00 0.00 54.79 51.43 1jiq n ASP 511 Cb 0.11 -0.23 0.09 0.00 -1.35 0.00 0.00 41.12 39.74 1jiq n ASP 511 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jiq n GLN 512 N -1.95 0.93 0.30 0.11 0.00 -1.26 -4.80 117.38 110.70 1jiq n GLN 512 Ca 0.07 -1.75 0.18 0.00 0.00 0.00 0.00 57.00 55.50 1jiq n GLN 512 Cb 0.57 -0.77 0.89 0.00 0.00 0.00 0.00 30.24 30.93 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 2.72 0.00 0.00 2.61 4.06 -1.98 -2.97 115.95 120.39 1jiq h TRP 513 Ca -0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.79 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 0.24 0.03 0.00 0.41 -3.56 0.00 0.00 178.44 175.55 1jiq n GLY 514 N -0.51 -0.65 0.03 1.49 0.00 -1.26 -2.40 105.19 101.89 1jiq n GLY 514 Ca -0.01 -0.06 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 -1.26 0.17 -0.02 1.61 0.24 -1.12 -4.56 118.33 113.38 1jiq n VAL 515 Ca 0.06 -0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 1jiq n VAL 515 Cb 0.09 0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.58 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 0.15 -0.35 7.34 4.81 -1.71 -3.13 114.58 121.70 1jiq h GLU 516 Ca 0.00 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1jiq h GLU 516 Cb 0.69 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 1jiq h GLU 516 CO 0.00 0.37 0.13 1.25 -0.73 0.00 0.00 179.01 180.03 1jiq h LEU 517 N -0.09 0.16 -0.92 1.64 5.85 -1.80 -0.30 115.31 119.84 1jiq h LEU 517 Ca 0.03 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1jiq h LEU 517 Cb 0.29 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 1jiq h LEU 517 CO 0.00 0.13 0.58 1.23 -0.34 0.00 0.00 178.44 180.04 1jiq h GLY 518 N 0.29 1.40 0.93 3.75 0.00 -1.86 0.30 103.07 107.88 1jiq h GLY 518 Ca 0.16 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1jiq h GLY 518 CO -0.15 0.28 0.09 0.50 0.00 0.00 0.00 176.54 177.27 1jiq h LYS 519 N 1.05 0.63 -0.05 4.80 1.57 -1.22 -1.48 116.57 121.87 1jiq h LYS 519 Ca 0.40 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1jiq h LYS 519 Cb 0.19 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1jiq h LYS 519 CO -0.18 0.66 0.04 1.96 -0.57 0.00 0.00 179.45 181.36 1jiq h GLN 520 N 0.49 0.07 -0.16 3.15 4.20 -0.34 -2.62 115.11 119.90 1jiq h GLN 520 Ca 0.12 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 1jiq h GLN 520 Cb 0.32 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1jiq h GLN 520 CO 0.00 0.05 -0.17 -0.07 -0.67 0.00 0.00 178.83 177.97 1jiq h LEU 521 N 0.07 0.26 -0.66 1.46 3.38 -0.89 -2.53 115.31 116.41 1jiq h LEU 521 Ca 0.02 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1jiq h LEU 521 Cb -0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1jiq h LEU 521 CO -0.00 0.46 -0.05 0.00 0.09 0.00 0.00 178.44 178.93 1jiq h ALA 522 N 1.57 0.87 -0.03 1.53 0.00 -1.14 -2.31 119.26 119.75 1jiq h ALA 522 Ca 0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1jiq h ALA 522 Cb 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jiq h ALA 522 CO 0.03 0.65 -0.20 0.87 0.00 0.00 0.00 179.25 180.60 1jiq h LYS 523 N 0.89 0.05 -0.23 0.00 1.79 -1.08 -0.79 116.57 117.20 1jiq h LYS 523 Ca 0.15 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.44 1jiq h LYS 523 Cb 0.59 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1jiq h LYS 523 CO 0.04 0.25 -0.52 0.87 -1.08 0.00 0.00 179.45 179.01 1jiq h LYS 524 N 0.05 0.76 -0.07 3.15 1.79 -1.20 -3.29 116.57 117.76 1jiq h LYS 524 Ca 0.01 -0.51 -0.14 0.00 -2.18 0.00 0.00 60.65 57.83 1jiq h LYS 524 Cb 0.39 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 1jiq h LYS 524 CO 0.03 1.13 -0.59 0.82 -1.08 0.00 0.00 179.45 179.75 1jiq h ILE 525 N 0.49 1.38 -0.23 1.86 2.04 -0.87 -3.38 117.51 118.80 1jiq h ILE 525 Ca -0.00 -1.96 0.02 0.00 1.00 0.00 0.00 64.86 63.92 1jiq h ILE 525 Cb 1.13 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.16 1jiq h ILE 525 CO 0.11 0.58 -0.22 -0.33 0.00 0.00 0.00 178.15 178.30 1jiq h GLU 526 N 0.18 -0.10 -0.13 2.37 5.08 -1.23 -1.59 114.58 119.15 1jiq h GLU 526 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1jiq h GLU 526 Cb 1.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1jiq h GLU 526 CO 0.09 -0.07 0.10 -1.00 -1.00 0.00 0.00 179.01 177.13 1jiq h PRO 527 N -0.10 0.00 0.00 2.33 0.13 -1.78 -2.06 132.00 130.51 1jiq h PRO 527 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1jiq h PRO 527 Cb 0.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.33 1jiq h PRO 527 CO -0.27 0.00 -0.07 0.93 -0.23 0.00 0.00 178.00 178.36 1jiq h GLU 528 N 0.00 0.00 0.00 0.86 5.08 -1.47 -2.14 114.58 116.91 1jiq h GLU 528 Ca 0.06 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1jiq h GLU 528 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1jiq h GLU 528 CO -0.00 0.07 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.82 1jiq h LEU 529 N 0.00 0.00 -9.91 1.33 3.38 -1.09 -3.45 115.31 105.57 1jiq h LEU 529 Ca -0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 1jiq h LEU 529 Cb 0.39 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.17 1jiq h LEU 529 CO 0.01 0.19 0.47 -1.81 0.09 0.00 0.00 178.44 177.39 1jiq s ASP 530 N -6.18 6.84 0.00 -0.43 -0.00 -0.81 -4.86 116.67 111.23 1jiq s ASP 530 Ca 0.03 2.22 0.00 0.00 -0.00 0.00 0.00 52.55 54.80 1jiq s ASP 530 Cb 0.08 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.39 1jiq s ASP 530 CO 0.66 -0.44 0.00 0.61 -0.00 0.00 0.00 175.17 175.99 1jiq n GLY 531 N 0.71 -1.78 0.80 0.21 0.00 -1.26 -4.72 105.19 99.15 1jiq n GLY 531 Ca 0.03 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.66 1jiq n GLY 531 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jiq n SER 532 N -2.15 2.48 -4.76 1.61 3.41 -1.26 -4.98 113.62 107.96 1jiq n SER 532 Ca 0.00 -1.82 -0.37 0.00 -0.26 0.00 0.00 58.87 56.42 1jiq n SER 532 Cb 0.00 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 1jiq n SER 532 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jiq s ALA 533 N -1.91 2.93 0.35 7.33 0.00 -1.26 -4.99 121.76 124.21 1jiq s ALA 533 Ca 0.33 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 1jiq s ALA 533 Cb 0.20 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1jiq s ALA 533 CO 0.31 -0.87 1.29 -0.65 0.00 0.00 0.00 175.76 175.84 1jiq s GLN 534 N -2.76 4.25 -0.15 0.00 -1.52 -1.26 -5.02 119.66 113.20 1jiq s GLN 534 Ca 0.66 2.17 -0.06 0.00 -1.95 0.00 0.00 55.36 56.18 1jiq s GLN 534 Cb -0.32 -2.97 -0.04 0.00 -0.22 0.00 0.00 33.01 29.46 1jiq s GLN 534 CO 0.39 -0.26 0.04 0.08 -0.25 0.00 0.00 175.29 175.29 1jiq s VAL 535 N -1.19 4.61 -0.00 1.09 1.01 -1.26 -4.97 120.40 119.70 1jiq s VAL 535 Ca 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1jiq s VAL 535 Cb -0.39 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1jiq s VAL 535 CO 0.51 0.51 0.64 0.35 0.00 0.00 0.00 175.10 177.11 1jiq n THR 536 N 3.13 0.28 1.18 3.92 -2.24 -1.26 -4.74 114.28 114.55 1jiq n THR 536 Ca -0.17 -0.28 0.14 0.00 -2.27 0.00 0.00 64.05 61.46 1jiq n THR 536 Cb 0.53 0.86 0.61 0.00 -2.10 0.00 0.00 70.33 70.23 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 -0.14 0.14 -2.25 3.42 3.41 -1.26 -4.90 113.62 112.04 1jiq n SER 537 Ca 0.00 0.05 -0.03 0.00 -0.26 0.00 0.00 58.87 58.64 1jiq n SER 537 Cb 0.43 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.35 -0.68 -0.64 7.33 8.25 -1.26 -5.11 115.22 121.77 1jiq n HIS 538 Ca 0.10 -0.22 -0.31 0.00 -0.26 0.00 0.00 57.72 57.04 1jiq n HIS 538 Cb 0.30 -0.04 0.18 0.00 1.12 0.00 0.00 29.99 31.56 1jiq n HIS 538 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1jiq n ASP 539 N -1.52 -0.67 0.02 0.41 5.68 -1.26 -4.73 116.55 114.49 1jiq n ASP 539 Ca -0.01 0.24 0.03 0.00 -0.50 0.00 0.00 54.79 54.54 1jiq n ASP 539 Cb 0.06 -1.36 0.40 0.00 -1.14 0.00 0.00 41.12 39.08 1jiq n ASP 539 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jiq h ALA 540 N -2.06 1.62 0.19 2.12 0.00 -1.99 -1.63 119.26 117.52 1jiq h ALA 540 Ca -0.48 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1jiq h ALA 540 Cb 1.29 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1jiq h ALA 540 CO 0.42 0.31 -0.09 1.03 0.00 0.00 0.00 179.25 180.91 1jiq h SER 541 N 0.49 -0.22 -0.68 0.00 0.87 -1.98 0.66 113.55 112.69 1jiq h SER 541 Ca 0.12 -0.27 0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1jiq h SER 541 Cb 0.08 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 1jiq h SER 541 CO -0.02 0.19 0.36 0.74 -0.53 0.00 0.00 176.83 177.58 1jiq h THR 542 N -0.68 0.93 -0.33 2.23 2.02 -1.87 0.48 112.91 115.69 1jiq h THR 542 Ca -0.03 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.94 1jiq h THR 542 Cb 0.48 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1jiq h THR 542 CO 0.04 0.12 0.21 0.78 0.37 0.00 0.00 175.52 177.04 1jiq h ASN 543 N 0.65 0.36 -0.88 4.18 2.35 -1.26 -1.99 115.58 118.99 1jiq h ASN 543 Ca 0.31 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1jiq h ASN 543 Cb 0.24 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.48 1jiq h ASN 543 CO -0.21 0.26 0.53 1.23 -1.65 0.00 0.00 177.43 177.59 1jiq h GLY 544 N 0.43 1.29 0.77 2.83 0.00 0.08 -0.62 103.07 107.84 1jiq h GLY 544 Ca 0.12 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 1jiq h GLY 544 CO -0.03 0.53 -0.08 1.41 0.00 0.00 0.00 176.54 178.36 1jiq h LEU 545 N 1.22 0.36 -0.52 3.11 3.38 -0.77 -1.67 115.31 120.42 1jiq h LEU 545 Ca 0.32 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1jiq h LEU 545 Cb -0.04 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1jiq h LEU 545 CO -0.06 0.70 0.28 0.40 0.09 0.00 0.00 178.44 179.85 1jiq h ILE 546 N 0.03 0.99 -0.37 1.22 2.04 -1.13 -1.24 117.51 119.05 1jiq h ILE 546 Ca 0.04 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1jiq h ILE 546 Cb 0.56 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1jiq h ILE 546 CO 0.03 0.10 -0.08 0.78 0.00 0.00 0.00 178.15 178.98 1jiq h ASN 547 N 0.54 0.61 -0.40 1.72 2.35 -1.01 -0.95 115.58 118.44 1jiq h ASN 547 Ca 0.22 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1jiq h ASN 547 Cb 0.10 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1jiq h ASN 547 CO -0.14 0.73 0.00 0.15 -1.65 0.00 0.00 177.43 176.53 1jiq h PHE 548 N 0.59 0.77 -0.76 1.19 3.57 -0.93 -1.28 116.94 120.09 1jiq h PHE 548 Ca 0.11 -0.13 0.08 0.00 3.53 0.00 0.00 57.97 61.56 1jiq h PHE 548 Cb 0.49 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 1jiq h PHE 548 CO 0.02 0.78 0.43 0.82 -2.23 0.00 0.00 178.31 178.13 1jiq h ILE 549 N 0.54 0.93 -0.53 1.41 2.04 -0.73 -0.01 117.51 121.17 1jiq h ILE 549 Ca 0.12 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 1jiq h ILE 549 Cb 0.47 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1jiq h ILE 549 CO 0.02 0.14 -0.10 0.11 0.00 0.00 0.00 178.15 178.31 1jiq h LYS 550 N 0.75 0.98 -0.54 2.37 1.57 -0.84 -1.30 116.57 119.56 1jiq h LYS 550 Ca 0.36 -0.35 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1jiq h LYS 550 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1jiq h LYS 550 CO -0.22 1.02 0.06 0.37 -0.57 0.00 0.00 179.45 180.11 1jiq h GLN 551 N 0.87 0.91 0.00 3.15 4.15 -0.71 -3.29 115.11 120.20 1jiq h GLN 551 Ca 0.14 -0.26 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1jiq h GLN 551 Cb 0.65 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1jiq h GLN 551 CO 0.05 0.90 -0.61 1.96 -1.93 0.00 0.00 178.83 179.20 1jiq h GLN 552 N 0.79 0.00 0.00 1.69 1.08 -0.83 -3.31 115.11 114.54 1jiq h GLN 552 Ca 0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1jiq h GLN 552 Cb 0.45 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1jiq h GLN 552 CO 0.02 0.00 0.00 2.89 -0.95 0.00 0.00 178.83 180.79 1jiq n ARG 553 N -2.39 0.07 -0.16 1.46 1.85 -0.51 -1.42 116.66 115.57 1jiq n ARG 553 Ca 0.03 0.28 0.12 0.00 -1.00 0.00 0.00 57.85 57.28 1jiq n ARG 553 Cb 0.48 -1.63 0.19 0.00 -1.05 0.00 0.00 32.46 30.45 1jiq n ARG 553 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 1jiq n GLU 554 N -1.77 2.45 -2.67 2.89 0.28 -1.24 -4.97 120.64 115.60 1jiq n GLU 554 Ca 0.03 -2.22 -0.41 0.00 -0.16 0.00 0.00 57.16 54.41 1jiq n GLU 554 Cb 0.22 -1.50 -0.05 0.00 1.43 0.00 0.00 31.44 31.54 1jiq n GLU 554 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jiq s ALA 555 N -1.53 3.31 -0.47 -1.84 0.00 -0.51 -5.01 121.76 115.71 1jiq s ALA 555 Ca 0.36 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 1jiq s ALA 555 Cb 0.22 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 20.13 1jiq s ALA 555 CO 0.31 -0.00 0.44 1.03 0.00 0.00 0.00 175.76 177.54 1jiq s ARG 556 N -0.56 3.02 0.00 0.00 0.52 -1.26 -5.09 118.95 115.58 1jiq s ARG 556 Ca 0.45 -1.20 0.30 0.00 -0.52 0.00 0.00 55.73 54.76 1jiq s ARG 556 Cb -0.26 -4.11 1.47 0.00 0.52 0.00 0.00 34.95 32.57 1jiq s ARG 556 CO 0.32 -1.05 1.98 1.55 0.02 0.00 0.00 175.30 178.13