#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ju5 s ASN 3 N 0.00 6.63 0.53 0.00 3.84 -1.26 -4.92 114.94 119.76 3ju5 s ASN 3 Ca 0.00 0.45 0.30 0.00 0.21 0.00 0.00 52.86 53.82 3ju5 s ASN 3 Cb 0.00 -2.47 1.42 0.00 -0.55 0.00 0.00 41.25 39.65 3ju5 s ASN 3 CO 0.00 -0.95 2.02 -0.07 -2.79 0.00 0.00 177.10 175.31 3ju5 h LEU 4 N 10.32 0.00 -0.03 3.21 3.38 -2.05 -1.58 115.31 128.57 3ju5 h LEU 4 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3ju5 h LEU 4 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3ju5 h LEU 4 CO 1.01 0.10 -0.24 0.59 0.09 0.00 0.00 178.44 179.99 3ju5 n ASN 5 N -3.36 0.28 -0.17 -0.43 4.13 -1.26 -4.16 115.26 110.28 3ju5 n ASN 5 Ca -0.01 0.05 -0.05 0.00 1.68 0.00 0.00 54.58 56.25 3ju5 n ASN 5 Cb 0.28 -0.11 0.05 0.00 -1.54 0.00 0.00 39.78 38.46 3ju5 n ASN 5 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 3ju5 h GLN 6 N 0.06 0.54 0.00 3.52 4.15 -1.70 -1.83 115.11 119.85 3ju5 h GLN 6 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3ju5 h GLN 6 Cb 0.49 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3ju5 h GLN 6 CO 0.00 0.36 0.00 1.57 -1.93 0.00 0.00 178.83 178.83 3ju5 h LYS 7 N 0.56 0.00 0.00 1.69 2.10 -1.76 -1.39 116.57 117.76 3ju5 h LYS 7 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3ju5 h LYS 7 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3ju5 h LYS 7 CO -0.13 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 178.95 3ju5 n LYS 8 N -2.66 0.16 -3.81 0.07 5.02 -0.69 -4.81 118.16 111.44 3ju5 n LYS 8 Ca -0.02 0.17 -0.28 0.00 -2.02 0.00 0.00 58.31 56.16 3ju5 n LYS 8 Cb 0.06 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.33 3ju5 n LYS 8 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3ju5 s TYR 9 N -3.09 3.49 0.30 2.13 2.02 -0.52 -5.06 117.35 116.62 3ju5 s TYR 9 Ca 0.11 0.28 -0.29 0.00 -0.37 0.00 0.00 57.07 56.79 3ju5 s TYR 9 Cb 0.14 -1.80 -0.11 0.00 -0.40 0.00 0.00 41.96 39.79 3ju5 s TYR 9 CO 0.54 0.46 1.52 -2.14 -1.57 0.00 0.00 175.55 174.35 3ju5 s PRO 10 N -3.09 4.17 0.30 -1.71 0.02 -1.26 -4.87 135.00 128.55 3ju5 s PRO 10 Ca 0.37 2.49 0.05 0.00 0.02 0.00 0.00 61.00 63.92 3ju5 s PRO 10 Cb -0.11 -3.04 0.68 0.00 0.02 0.00 0.00 34.50 32.05 3ju5 s PRO 10 CO 0.28 -0.53 1.80 0.00 -0.33 0.00 0.00 177.00 178.22 3ju5 h ALA 11 N 4.40 1.63 -0.35 -1.55 0.00 -1.93 0.13 119.26 121.59 3ju5 h ALA 11 Ca -0.48 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.59 3ju5 h ALA 11 Cb 1.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3ju5 h ALA 11 CO 0.75 0.04 0.31 1.57 0.00 0.00 0.00 179.25 181.92 3ju5 h LYS 12 N 0.84 0.00 0.00 0.00 2.10 -1.92 -0.18 116.57 117.41 3ju5 h LYS 12 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 3ju5 h LYS 12 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 3ju5 h LYS 12 CO -0.33 0.00 -0.15 -0.25 -2.00 0.00 0.00 179.45 176.71 3ju5 n ASP 13 N -4.04 0.16 -0.00 7.07 8.00 0.46 -2.74 116.55 125.47 3ju5 n ASP 13 Ca 0.06 0.27 0.09 0.00 0.71 0.00 0.00 54.79 55.92 3ju5 n ASP 13 Cb 0.48 -0.27 -0.12 0.00 -0.02 0.00 0.00 41.12 41.19 3ju5 n ASP 13 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ju5 n ASP 14 N -1.51 0.84 -4.73 -2.24 8.00 -0.21 -5.00 116.55 111.70 3ju5 n ASP 14 Ca 0.07 -0.80 -0.42 0.00 0.71 0.00 0.00 54.79 54.34 3ju5 n ASP 14 Cb 0.34 1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 42.56 3ju5 n ASP 14 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3ju5 s PHE 15 N -2.93 3.10 0.70 1.24 5.36 -0.44 -4.93 117.98 120.09 3ju5 s PHE 15 Ca 0.05 0.85 -0.16 0.00 -0.96 0.00 0.00 56.93 56.72 3ju5 s PHE 15 Cb 0.14 -3.82 0.02 0.00 -0.34 0.00 0.00 43.02 39.03 3ju5 s PHE 15 CO 0.81 -2.87 1.21 -2.14 -1.46 0.00 0.00 175.22 170.77 3ju5 s PRO 16 N 0.62 2.31 -0.58 10.12 0.02 -1.26 -4.94 135.00 141.28 3ju5 s PRO 16 Ca 0.65 1.77 -0.20 0.00 0.02 0.00 0.00 61.00 63.24 3ju5 s PRO 16 Cb -0.41 -1.85 0.08 0.00 0.02 0.00 0.00 34.50 32.34 3ju5 s PRO 16 CO 0.35 -1.71 0.76 1.21 -0.33 0.00 0.00 177.00 177.28 3ju5 s ASN 17 N -1.96 6.20 -0.10 2.53 3.84 -1.26 -4.92 114.94 119.28 3ju5 s ASN 17 Ca 0.75 -1.12 0.12 0.00 0.21 0.00 0.00 52.86 52.81 3ju5 s ASN 17 Cb -0.29 -2.33 0.51 0.00 -0.55 0.00 0.00 41.25 38.59 3ju5 s ASN 17 CO 0.43 -1.14 1.36 0.49 -2.79 0.00 0.00 177.10 175.45 3ju5 n PHE 18 N 6.67 1.12 -1.71 0.43 3.72 -1.26 -4.91 117.46 121.51 3ju5 n PHE 18 Ca -0.07 -0.43 -0.43 0.00 -0.05 0.00 0.00 57.45 56.48 3ju5 n PHE 18 Cb 0.44 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3ju5 n PHE 18 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3ju5 n GLU 19 N 0.65 2.68 0.00 -1.08 2.13 -1.26 -1.21 120.64 122.55 3ju5 n GLU 19 Ca 0.18 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.97 3ju5 n GLU 19 Cb 0.71 -2.80 0.00 0.00 0.27 0.00 0.00 31.44 29.62 3ju5 n GLU 19 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ju5 n GLY 20 N 3.72 2.19 3.80 8.31 0.00 -1.26 -5.02 105.19 116.93 3ju5 n GLY 20 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3ju5 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ju5 s HIS 21 N -2.33 3.18 -0.14 1.61 3.76 -0.35 -4.83 115.29 116.18 3ju5 s HIS 21 Ca 0.00 1.61 0.15 0.00 -0.15 0.00 0.00 55.06 56.66 3ju5 s HIS 21 Cb 0.00 -2.99 0.33 0.00 1.11 0.00 0.00 32.58 31.03 3ju5 s HIS 21 CO 0.00 -0.49 1.17 1.63 -0.85 0.00 0.00 174.74 176.20 3ju5 n LYS 22 N -0.67 1.16 -4.07 1.40 5.02 -0.33 -4.99 118.16 115.67 3ju5 n LYS 22 Ca 0.08 -2.67 -0.23 0.00 -2.02 0.00 0.00 58.31 53.46 3ju5 n LYS 22 Cb 0.53 -1.30 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 3ju5 n LYS 22 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3ju5 s SER 23 N -2.76 5.72 0.26 4.39 1.04 -1.25 -4.69 113.70 116.41 3ju5 s SER 23 Ca 0.32 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 3ju5 s SER 23 Cb 0.30 -1.53 0.34 0.00 0.10 0.00 0.00 66.02 65.24 3ju5 s SER 23 CO -0.03 -0.00 1.80 -0.07 0.98 0.00 0.00 173.24 175.91 3ju5 h LEU 24 N 1.77 0.82 -0.62 2.42 3.38 -0.71 -1.96 115.31 120.40 3ju5 h LEU 24 Ca -0.49 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 57.45 3ju5 h LEU 24 Cb 1.22 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.65 3ju5 h LEU 24 CO 0.62 0.81 -0.08 0.25 0.09 0.00 0.00 178.44 180.14 3ju5 h LEU 25 N 0.83 -0.42 -1.00 1.67 5.85 -1.61 -1.81 115.31 118.82 3ju5 h LEU 25 Ca 0.18 0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.99 3ju5 h LEU 25 Cb 0.34 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 3ju5 h LEU 25 CO 0.00 -0.16 -0.39 0.77 -0.34 0.00 0.00 178.44 178.32 3ju5 h SER 26 N 0.05 0.00 -0.37 1.25 4.64 -1.73 -0.09 113.55 117.30 3ju5 h SER 26 Ca 0.31 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.56 3ju5 h SER 26 Cb 0.50 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3ju5 h SER 26 CO -0.58 0.39 -0.07 0.50 -0.87 0.00 0.00 176.83 176.20 3ju5 h LYS 27 N 0.00 0.69 0.00 4.77 3.64 -0.71 -3.37 116.57 121.59 3ju5 h LYS 27 Ca -0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 3ju5 h LYS 27 Cb 0.87 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3ju5 h LYS 27 CO 0.05 0.83 -1.47 0.66 -2.27 0.00 0.00 179.45 177.25 3ju5 n TYR 28 N -4.41 0.00 -2.71 1.91 4.01 -0.74 -4.79 117.16 110.43 3ju5 n TYR 28 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 3ju5 n TYR 28 Cb 0.33 -0.27 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3ju5 n TYR 28 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3ju5 s LEU 29 N -3.75 4.04 0.66 7.72 2.96 -0.07 -4.95 118.68 125.29 3ju5 s LEU 29 Ca -0.03 -1.39 -0.09 0.00 -0.22 0.00 0.00 54.13 52.39 3ju5 s LEU 29 Cb 0.10 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.30 3ju5 s LEU 29 CO 0.62 -1.42 1.02 0.42 -1.32 0.00 0.00 176.35 175.67 3ju5 s THR 30 N 4.28 3.68 0.19 3.68 -4.23 -1.26 -4.87 115.64 117.11 3ju5 s THR 30 Ca 0.37 0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 61.10 3ju5 s THR 30 Cb -0.05 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 70.39 3ju5 s THR 30 CO -0.03 -0.63 1.72 0.00 -0.54 0.00 0.00 174.62 175.15 3ju5 h ALA 31 N -0.45 0.59 0.00 3.99 0.00 -1.99 -0.04 119.26 121.35 3ju5 h ALA 31 Ca -0.45 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3ju5 h ALA 31 Cb 1.25 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3ju5 h ALA 31 CO 0.63 -0.29 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 3ju5 n ASP 32 N -5.09 0.90 0.00 0.00 8.00 -1.26 -1.20 116.55 117.90 3ju5 n ASP 32 Ca 0.06 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.87 3ju5 n ASP 32 Cb 0.25 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 3ju5 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ju5 n TYR 34 N 0.74 0.00 -0.06 1.24 9.36 -0.03 -1.41 117.16 127.00 3ju5 n TYR 34 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 3ju5 n TYR 34 Cb 0.16 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.14 3ju5 n TYR 34 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3ju5 h ALA 35 N 0.00 1.37 -0.50 2.98 0.00 -1.40 -0.66 119.26 121.04 3ju5 h ALA 35 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3ju5 h ALA 35 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3ju5 h ALA 35 CO 0.00 0.45 -0.10 -0.22 0.00 0.00 0.00 179.25 179.39 3ju5 h LYS 36 N 0.64 0.92 -0.01 0.00 3.64 -1.51 -3.36 116.57 116.91 3ju5 h LYS 36 Ca 0.15 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3ju5 h LYS 36 Cb 0.23 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3ju5 h LYS 36 CO -0.00 0.97 -0.15 1.28 -2.27 0.00 0.00 179.45 179.28 3ju5 n LEU 37 N -4.16 1.09 -0.22 5.20 4.77 -1.08 -4.62 117.00 117.98 3ju5 n LEU 37 Ca 0.02 -0.78 0.02 0.00 -0.03 0.00 0.00 56.01 55.24 3ju5 n LEU 37 Cb 0.38 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.73 3ju5 n LEU 37 CO 0.44 0.22 1.24 -0.09 -1.33 0.00 0.00 177.39 177.87 3ju5 h ARG 38 N 0.89 0.95 -0.48 3.23 2.43 -1.27 -2.05 114.38 118.09 3ju5 h ARG 38 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ju5 h ARG 38 Cb 0.27 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3ju5 h ARG 38 CO 0.00 0.63 0.00 -0.25 -1.51 0.00 0.00 179.97 178.84 3ju5 n ASP 39 N -4.44 4.06 -4.62 -3.80 8.00 -1.26 -4.55 116.55 109.95 3ju5 n ASP 39 Ca 0.09 -2.46 -0.36 0.00 0.71 0.00 0.00 54.79 52.78 3ju5 n ASP 39 Cb 0.08 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 3ju5 n ASP 39 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ju5 s VAL 40 N -1.84 4.98 0.30 2.53 1.01 -0.77 -5.11 120.40 121.50 3ju5 s VAL 40 Ca 0.42 0.04 0.10 0.00 0.00 0.00 0.00 61.98 62.54 3ju5 s VAL 40 Cb 0.28 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3ju5 s VAL 40 CO 0.19 0.39 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 3ju5 s ALA 41 N 0.90 3.11 0.88 5.51 0.00 -1.26 -4.23 121.76 126.66 3ju5 s ALA 41 Ca 0.06 -1.82 -0.12 0.00 0.00 0.00 0.00 51.96 50.08 3ju5 s ALA 41 Cb -0.13 -0.53 0.12 0.00 0.00 0.00 0.00 23.12 22.58 3ju5 s ALA 41 CO 0.03 0.18 1.10 0.95 0.00 0.00 0.00 175.76 178.02 3ju5 s THR 42 N -2.44 2.70 0.54 0.00 -4.23 -0.40 -4.88 115.64 106.93 3ju5 s THR 42 Ca 0.33 0.23 0.23 0.00 -1.18 0.00 0.00 61.69 61.30 3ju5 s THR 42 Cb -0.04 -2.79 0.35 0.00 1.34 0.00 0.00 72.50 71.36 3ju5 s THR 42 CO 0.19 -0.30 2.07 -0.65 -0.54 0.00 0.00 174.62 175.39 3ju5 h PRO 43 N -1.45 0.00 -0.20 3.99 0.11 -1.95 -0.38 132.00 132.12 3ju5 h PRO 43 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ju5 h PRO 43 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3ju5 h PRO 43 CO 0.56 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.22 3ju5 n SER 44 N -4.27 1.51 0.00 -2.05 3.41 -1.26 -4.92 113.62 106.04 3ju5 n SER 44 Ca 0.04 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 3ju5 n SER 44 Cb 0.37 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3ju5 n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ju5 n GLY 45 N 1.05 0.87 3.75 5.00 0.00 -0.15 -5.07 105.19 110.64 3ju5 n GLY 45 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3ju5 n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ju5 s TYR 46 N -2.05 3.95 0.35 1.61 5.04 -1.26 -4.67 117.35 120.32 3ju5 s TYR 46 Ca 0.00 1.89 0.08 0.00 -2.44 0.00 0.00 57.07 56.60 3ju5 s TYR 46 Cb 0.00 -3.00 -0.04 0.00 0.35 0.00 0.00 41.96 39.28 3ju5 s TYR 46 CO 0.00 0.40 0.19 0.95 -1.34 0.00 0.00 175.55 175.75 3ju5 s THR 47 N -0.90 3.09 0.07 4.34 -4.23 -1.26 -1.28 115.64 115.47 3ju5 s THR 47 Ca 0.42 -1.61 -0.20 0.00 -1.18 0.00 0.00 61.69 59.12 3ju5 s THR 47 Cb -0.25 -3.03 -0.10 0.00 1.34 0.00 0.00 72.50 70.46 3ju5 s THR 47 CO 0.31 -0.17 1.53 0.25 -0.54 0.00 0.00 174.62 176.01 3ju5 h LEU 48 N 1.45 0.31 -0.96 4.79 5.85 -1.80 -1.62 115.31 123.34 3ju5 h LEU 48 Ca -0.44 -0.28 0.13 0.00 0.84 0.00 0.00 57.88 58.13 3ju5 h LEU 48 Cb 1.25 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 3ju5 h LEU 48 CO 0.62 0.51 0.59 0.44 -0.34 0.00 0.00 178.44 180.26 3ju5 h ASP 49 N 0.10 0.83 -0.61 1.25 5.19 -1.92 -1.68 116.42 119.58 3ju5 h ASP 49 Ca 0.06 0.06 -0.05 0.00 -0.62 0.00 0.00 57.03 56.47 3ju5 h ASP 49 Cb 0.34 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 3ju5 h ASP 49 CO 0.01 0.42 0.18 0.03 -3.12 0.00 0.00 179.24 176.75 3ju5 h ARG 50 N 0.89 0.95 -0.86 3.56 2.47 -1.89 -1.53 114.38 117.98 3ju5 h ARG 50 Ca 0.49 -0.21 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 3ju5 h ARG 50 Cb 0.55 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 3ju5 h ARG 50 CO -0.29 0.85 0.47 0.00 0.56 0.00 0.00 179.97 181.56 3ju5 h ALA 51 N 1.06 1.21 -0.28 0.04 0.00 -0.59 -3.06 119.26 117.64 3ju5 h ALA 51 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ju5 h ALA 51 Cb 0.31 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ju5 h ALA 51 CO -0.00 0.64 0.00 0.44 0.00 0.00 0.00 179.25 180.33 3ju5 n ILE 52 N -4.34 0.35 -0.05 0.00 -5.35 -0.70 -1.82 119.36 107.46 3ju5 n ILE 52 Ca 0.09 -0.65 0.01 0.00 -0.27 0.00 0.00 62.75 61.94 3ju5 n ILE 52 Cb 0.10 1.04 0.32 0.00 -1.74 0.00 0.00 39.64 39.36 3ju5 n ILE 52 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3ju5 h GLN 53 N 4.31 0.63 -0.65 6.28 5.75 -1.17 -0.68 115.11 129.58 3ju5 h GLN 53 Ca 0.00 -0.09 0.09 0.00 -0.15 0.00 0.00 58.65 58.50 3ju5 h GLN 53 Cb 0.94 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 29.30 3ju5 h GLN 53 CO 0.00 0.53 0.29 -0.97 -2.65 0.00 0.00 178.83 176.03 3ju5 h ASN 54 N 0.63 0.35 0.10 -0.69 -1.24 -1.72 -0.92 115.58 112.09 3ju5 h ASN 54 Ca 0.15 0.07 -0.22 0.00 0.71 0.00 0.00 56.30 57.01 3ju5 h ASN 54 Cb 0.13 0.01 0.02 0.00 0.73 0.00 0.00 38.32 39.22 3ju5 h ASN 54 CO -0.01 0.21 -0.92 1.23 -1.29 0.00 0.00 177.43 176.64 3ju5 h GLY 55 N 0.51 0.52 1.15 1.57 0.00 -0.47 -2.98 103.07 103.36 3ju5 h GLY 55 Ca 0.32 -1.09 0.05 0.00 0.00 0.00 0.00 47.33 46.60 3ju5 h GLY 55 CO -0.27 0.96 0.46 -2.08 0.00 0.00 0.00 176.54 175.61 3ju5 h VAL 56 N -0.04 1.07 0.00 4.60 2.07 -0.82 -1.93 116.25 121.20 3ju5 h VAL 56 Ca -0.14 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3ju5 h VAL 56 Cb 1.66 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3ju5 h VAL 56 CO 0.18 0.14 -0.28 0.44 0.02 0.00 0.00 177.57 178.07 3ju5 h ASP 57 N 0.79 0.00 -2.72 0.57 3.32 -1.21 -3.41 116.42 113.75 3ju5 h ASP 57 Ca 0.29 -0.05 -0.59 0.00 0.02 0.00 0.00 57.03 56.69 3ju5 h ASP 57 Cb 0.15 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.31 3ju5 h ASP 57 CO -0.09 0.03 -0.85 0.20 -1.72 0.00 0.00 179.24 176.81 3ju5 s ASN 58 N -4.99 2.66 0.42 6.45 0.01 -0.72 -4.99 114.94 113.79 3ju5 s ASN 58 Ca 0.07 -2.76 0.30 0.00 -0.71 0.00 0.00 52.86 49.75 3ju5 s ASN 58 Cb 0.10 -0.65 1.42 0.00 0.41 0.00 0.00 41.25 42.54 3ju5 s ASN 58 CO 0.67 -0.23 1.89 1.55 -1.51 0.00 0.00 177.10 179.48 3ju5 h PRO 59 N 6.28 0.00 -0.00 -0.60 0.13 -1.81 -2.12 132.00 133.87 3ju5 h PRO 59 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ju5 h PRO 59 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3ju5 h PRO 59 CO 0.39 0.00 -0.43 -0.25 -0.23 0.00 0.00 178.00 177.48 3ju5 n ASP 60 N -2.60 0.58 -4.77 1.44 8.00 -1.26 -1.19 116.55 116.76 3ju5 n ASP 60 Ca -0.00 -0.36 -0.39 0.00 0.71 0.00 0.00 54.79 54.75 3ju5 n ASP 60 Cb 0.15 0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 41.45 3ju5 n ASP 60 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ju5 s PHE 61 N -2.89 2.77 0.12 1.24 0.08 -0.80 -4.88 117.98 113.61 3ju5 s PHE 61 Ca 0.14 1.40 0.03 0.00 0.12 0.00 0.00 56.93 58.62 3ju5 s PHE 61 Cb 0.18 -3.68 -0.20 0.00 -0.57 0.00 0.00 43.02 38.75 3ju5 s PHE 61 CO 0.66 -2.17 1.26 1.25 -0.10 0.00 0.00 175.22 176.11 3ju5 h HIS 62 N 2.57 0.17 0.00 0.36 2.76 -1.90 -3.34 115.15 115.76 3ju5 h HIS 62 Ca -0.50 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 57.55 3ju5 h HIS 62 Cb 1.25 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.20 3ju5 h HIS 62 CO 0.53 1.07 -0.66 1.28 -1.30 0.00 0.00 177.93 178.84 3ju5 n LEU 63 N -3.44 1.36 0.00 0.26 4.77 -1.26 -0.23 117.00 118.45 3ju5 n LEU 63 Ca -0.03 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3ju5 n LEU 63 Cb 0.94 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3ju5 n LEU 63 CO 0.49 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3ju5 n GLY 64 N 1.65 0.73 3.07 -0.72 0.00 -1.26 -1.95 105.19 106.71 3ju5 n GLY 64 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 3ju5 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ju5 s LEU 65 N 0.00 2.03 0.00 0.99 1.43 -1.26 -1.18 118.68 120.70 3ju5 s LEU 65 Ca 0.00 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3ju5 s LEU 65 Cb 0.00 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 3ju5 s LEU 65 CO 0.00 0.14 -0.07 -0.76 0.23 0.00 0.00 176.35 175.89 3ju5 s LEU 66 N -0.32 2.05 0.13 1.79 1.43 -0.76 -4.45 118.68 118.55 3ju5 s LEU 66 Ca 0.04 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 3ju5 s LEU 66 Cb -0.05 -0.32 -0.07 0.00 0.03 0.00 0.00 46.19 45.79 3ju5 s LEU 66 CO -0.00 0.04 0.51 0.00 0.23 0.00 0.00 176.35 177.13 3ju5 s ALA 67 N -0.33 3.61 -0.55 4.21 0.00 -0.08 -4.47 121.76 124.15 3ju5 s ALA 67 Ca 0.01 -0.19 0.20 0.00 0.00 0.00 0.00 51.96 51.98 3ju5 s ALA 67 Cb -0.04 -2.46 -0.26 0.00 0.00 0.00 0.00 23.12 20.36 3ju5 s ALA 67 CO -0.00 0.48 0.68 0.41 0.00 0.00 0.00 175.76 177.33 3ju5 n GLY 68 N 0.85 -0.92 3.80 0.00 0.00 -1.26 -4.49 105.19 103.17 3ju5 n GLY 68 Ca -0.06 -0.54 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 3ju5 n GLY 68 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ju5 s ASP 69 N -3.54 -0.09 0.27 1.61 1.47 -1.26 -0.95 116.67 114.18 3ju5 s ASP 69 Ca 0.01 -0.54 -0.03 0.00 1.18 0.00 0.00 52.55 53.17 3ju5 s ASP 69 Cb 0.14 0.50 0.36 0.00 -0.34 0.00 0.00 42.92 43.58 3ju5 s ASP 69 CO 0.84 -0.96 1.90 -0.08 0.68 0.00 0.00 175.17 177.56 3ju5 h GLU 70 N 2.00 1.08 0.00 2.11 4.81 -1.98 -2.72 114.58 119.87 3ju5 h GLU 70 Ca -0.26 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 58.84 3ju5 h GLU 70 Cb 1.23 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 3ju5 h GLU 70 CO 0.30 0.79 -0.06 0.93 -0.73 0.00 0.00 179.01 180.25 3ju5 h GLU 71 N 1.09 0.00 -0.79 1.92 3.07 -2.01 -2.72 114.58 115.13 3ju5 h GLU 71 Ca 0.28 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.32 3ju5 h GLU 71 Cb 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.81 3ju5 h GLU 71 CO -0.05 0.06 0.17 1.15 -1.40 0.00 0.00 179.01 178.94 3ju5 h THR 72 N 0.00 0.41 0.00 1.13 2.02 -1.88 0.26 112.91 114.85 3ju5 h THR 72 Ca -0.00 -0.08 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3ju5 h THR 72 Cb 0.46 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3ju5 h THR 72 CO 0.01 0.04 -0.12 1.88 0.37 0.00 0.00 175.52 177.69 3ju5 h TYR 73 N 0.22 0.00 0.02 3.16 0.05 -1.69 -0.89 116.97 117.85 3ju5 h TYR 73 Ca 0.46 0.00 -0.39 0.00 0.05 0.00 0.00 58.73 58.85 3ju5 h TYR 73 Cb 0.85 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.54 3ju5 h TYR 73 CO -0.29 0.12 -2.32 0.25 -1.05 0.00 0.00 178.16 174.88 3ju5 n THR 74 N -4.01 1.56 -0.24 -2.88 -2.24 -0.58 -2.79 114.28 103.10 3ju5 n THR 74 Ca -0.02 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.22 3ju5 n THR 74 Cb 0.21 -1.63 0.07 0.00 -2.10 0.00 0.00 70.33 66.88 3ju5 n THR 74 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3ju5 h VAL 75 N -0.30 1.10 -0.67 2.28 2.07 -0.99 -2.54 116.25 117.20 3ju5 h VAL 75 Ca -0.56 -0.29 -0.37 0.00 0.82 0.00 0.00 66.70 66.30 3ju5 h VAL 75 Cb 1.81 0.19 -0.21 0.00 -1.52 0.00 0.00 31.29 31.56 3ju5 h VAL 75 CO -0.15 0.15 0.25 0.49 0.02 0.00 0.00 177.57 178.33 3ju5 n PHE 76 N -4.67 2.09 0.13 1.57 3.72 -0.34 -4.71 117.46 115.24 3ju5 n PHE 76 Ca 0.07 -1.83 0.15 0.00 -0.05 0.00 0.00 57.45 55.79 3ju5 n PHE 76 Cb 0.08 -0.74 0.71 0.00 -0.94 0.00 0.00 39.48 38.59 3ju5 n PHE 76 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ju5 h ALA 77 N 1.11 2.17 -0.28 4.37 0.00 -1.28 -0.93 119.26 124.44 3ju5 h ALA 77 Ca 0.42 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.40 3ju5 h ALA 77 Cb 2.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.88 3ju5 h ALA 77 CO 0.77 -0.35 0.20 -0.44 0.00 0.00 0.00 179.25 179.43 3ju5 h ASP 78 N 0.00 0.03 0.00 0.00 3.32 -1.85 0.44 116.42 118.37 3ju5 h ASP 78 Ca 0.13 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.90 3ju5 h ASP 78 Cb 0.55 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 3ju5 h ASP 78 CO -0.00 0.02 -1.56 -0.11 -1.72 0.00 0.00 179.24 175.87 3ju5 n LEU 79 N -4.46 1.88 0.01 1.55 7.94 -0.46 -4.40 117.00 119.06 3ju5 n LEU 79 Ca 0.03 0.41 -0.06 0.00 -1.11 0.00 0.00 56.01 55.28 3ju5 n LEU 79 Cb 0.33 -0.93 0.12 0.00 0.53 0.00 0.00 43.42 43.48 3ju5 n LEU 79 CO 0.35 0.33 0.59 -0.26 -1.11 0.00 0.00 177.39 177.29 3ju5 h PHE 80 N -1.00 0.59 0.11 1.96 0.04 -1.14 -3.08 116.94 114.42 3ju5 h PHE 80 Ca -0.43 -0.17 0.01 0.00 2.80 0.00 0.00 57.97 60.18 3ju5 h PHE 80 Cb 1.36 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 3ju5 h PHE 80 CO 0.04 0.84 -0.13 -0.44 -0.60 0.00 0.00 178.31 178.02 3ju5 h ASP 81 N 0.41 -0.34 0.46 2.17 3.32 -1.14 0.69 116.42 121.98 3ju5 h ASP 81 Ca 0.03 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 3ju5 h ASP 81 Cb 0.91 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3ju5 h ASP 81 CO 0.08 -0.19 -0.61 1.55 -1.72 0.00 0.00 179.24 178.35 3ju5 h PRO 82 N -0.27 0.14 -0.04 3.56 0.13 -1.77 0.49 132.00 134.25 3ju5 h PRO 82 Ca 0.01 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 65.05 3ju5 h PRO 82 Cb 0.27 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 3ju5 h PRO 82 CO -0.05 0.70 -0.01 0.28 -0.23 0.00 0.00 178.00 178.69 3ju5 h VAL 83 N 0.10 0.96 -0.44 1.56 2.07 -1.41 -2.04 116.25 117.06 3ju5 h VAL 83 Ca -0.01 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3ju5 h VAL 83 Cb 1.09 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 3ju5 h VAL 83 CO 0.09 0.00 0.27 0.40 0.02 0.00 0.00 177.57 178.35 3ju5 h ILE 84 N -0.00 1.07 -0.46 4.57 2.04 -0.68 -1.05 117.51 122.99 3ju5 h ILE 84 Ca 0.02 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.77 3ju5 h ILE 84 Cb 0.03 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 3ju5 h ILE 84 CO -0.04 0.10 0.09 -0.08 0.00 0.00 0.00 178.15 178.23 3ju5 h GLU 85 N 0.55 0.22 -0.29 2.37 4.81 -0.81 -0.60 114.58 120.84 3ju5 h GLU 85 Ca 0.17 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 3ju5 h GLU 85 Cb -0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3ju5 h GLU 85 CO -0.06 0.15 -0.20 1.49 -0.73 0.00 0.00 179.01 179.65 3ju5 h GLU 86 N 0.23 0.64 -0.53 1.92 4.81 -1.25 0.17 114.58 120.58 3ju5 h GLU 86 Ca 0.23 -0.31 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 3ju5 h GLU 86 Cb 0.30 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 3ju5 h GLU 86 CO -0.30 0.90 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.94 3ju5 h TYR 87 N 0.38 1.05 -0.71 0.92 3.20 -0.95 -2.99 116.97 117.87 3ju5 h TYR 87 Ca 0.06 -0.19 -0.46 0.00 3.14 0.00 0.00 58.73 61.27 3ju5 h TYR 87 Cb 0.75 -0.27 -0.21 0.00 1.54 0.00 0.00 36.73 38.54 3ju5 h TYR 87 CO 0.07 0.97 0.60 0.72 -1.64 0.00 0.00 178.16 178.87 3ju5 n HIS 88 N -4.25 2.27 -3.84 -3.82 8.25 -0.25 -4.89 115.22 108.69 3ju5 n HIS 88 Ca 0.01 -2.29 -0.25 0.00 -0.26 0.00 0.00 57.72 54.93 3ju5 n HIS 88 Cb 0.35 -1.11 0.02 0.00 1.12 0.00 0.00 29.99 30.36 3ju5 n HIS 88 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ju5 n ASN 89 N -0.28 -2.12 0.00 0.41 2.85 -1.13 -2.69 115.26 112.30 3ju5 n ASN 89 Ca 0.44 -0.85 0.00 0.00 -0.11 0.00 0.00 54.58 54.06 3ju5 n ASN 89 Cb 0.73 -3.75 0.00 0.00 1.24 0.00 0.00 39.78 38.00 3ju5 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ju5 n GLY 90 N -1.68 0.73 3.58 8.20 0.00 0.61 -5.04 105.19 111.59 3ju5 n GLY 90 Ca -0.19 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3ju5 n GLY 90 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ju5 s PHE 91 N -2.00 2.24 0.61 1.61 5.36 -1.09 -4.98 117.98 119.71 3ju5 s PHE 91 Ca 0.00 0.53 -0.04 0.00 -0.96 0.00 0.00 56.93 56.46 3ju5 s PHE 91 Cb 0.00 -4.35 0.03 0.00 -0.34 0.00 0.00 43.02 38.36 3ju5 s PHE 91 CO 0.00 -2.05 0.89 0.15 -1.46 0.00 0.00 175.22 172.76 3ju5 s LYS 92 N 5.53 2.66 0.59 10.12 1.02 -1.26 -3.38 119.74 135.03 3ju5 s LYS 92 Ca 0.56 -0.24 0.39 0.00 0.02 0.00 0.00 55.97 56.70 3ju5 s LYS 92 Cb -0.12 -2.30 1.97 0.00 -0.52 0.00 0.00 37.83 36.86 3ju5 s LYS 92 CO 0.26 -0.82 2.18 1.57 -0.92 0.00 0.00 175.35 177.62 3ju5 h LYS 93 N -0.21 0.00 0.00 1.68 2.10 -1.94 0.14 116.57 118.34 3ju5 h LYS 93 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3ju5 h LYS 93 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3ju5 h LYS 93 CO 0.59 0.00 -0.79 0.25 -2.00 0.00 0.00 179.45 177.50 3ju5 n THR 94 N -2.99 0.03 -2.92 0.07 -2.24 -1.26 -4.90 114.28 100.06 3ju5 n THR 94 Ca -0.02 -0.04 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 3ju5 n THR 94 Cb 0.15 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.85 3ju5 n THR 94 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3ju5 s ASP 95 N -3.15 6.86 0.20 3.42 1.01 0.47 -5.08 116.67 120.40 3ju5 s ASP 95 Ca 0.09 1.52 0.08 0.00 0.71 0.00 0.00 52.55 54.95 3ju5 s ASP 95 Cb 0.16 -2.47 -0.05 0.00 1.01 0.00 0.00 42.92 41.58 3ju5 s ASP 95 CO 0.78 -0.31 -0.15 0.20 0.21 0.00 0.00 175.17 175.90 3ju5 s ASN 96 N -2.27 2.65 -0.15 0.27 0.01 -1.26 -4.79 114.94 109.40 3ju5 s ASN 96 Ca 0.59 -1.00 -0.04 0.00 -0.71 0.00 0.00 52.86 51.70 3ju5 s ASN 96 Cb -0.09 -0.15 -0.03 0.00 0.41 0.00 0.00 41.25 41.38 3ju5 s ASN 96 CO 0.16 -0.14 -0.01 -2.28 -1.51 0.00 0.00 177.10 173.32 3ju5 s HIS 97 N -2.81 3.11 -0.17 2.20 5.65 -0.93 -4.76 115.29 117.58 3ju5 s HIS 97 Ca 0.22 -0.10 -0.05 0.00 0.25 0.00 0.00 55.06 55.38 3ju5 s HIS 97 Cb -0.02 -1.95 -0.03 0.00 -1.18 0.00 0.00 32.58 29.40 3ju5 s HIS 97 CO 0.07 0.12 -0.01 0.21 -0.65 0.00 0.00 174.74 174.48 3ju5 s LYS 98 N 0.10 3.74 0.06 2.88 2.20 -1.26 -4.62 119.74 122.85 3ju5 s LYS 98 Ca 0.01 -0.48 -0.17 0.00 -0.36 0.00 0.00 55.97 54.98 3ju5 s LYS 98 Cb -0.13 -3.00 -0.06 0.00 -1.51 0.00 0.00 37.83 33.13 3ju5 s LYS 98 CO 0.02 0.23 0.51 0.99 -0.36 0.00 0.00 175.35 176.74 3ju5 s THR 99 N 0.41 4.87 -0.27 3.43 2.01 -1.26 -3.84 115.64 120.98 3ju5 s THR 99 Ca -0.02 1.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.96 3ju5 s THR 99 Cb -0.14 -3.80 0.13 0.00 0.01 0.00 0.00 72.50 68.70 3ju5 s THR 99 CO 0.02 0.50 0.28 -0.62 -0.69 0.00 0.00 174.62 174.12 3ju5 s ASP 100 N -1.23 1.55 -0.32 3.53 -1.08 -1.26 -4.98 116.67 112.88 3ju5 s ASP 100 Ca 0.29 -0.59 0.09 0.00 -0.52 0.00 0.00 52.55 51.81 3ju5 s ASP 100 Cb -0.18 0.51 0.57 0.00 -1.46 0.00 0.00 42.92 42.36 3ju5 s ASP 100 CO 0.17 -0.37 1.59 0.18 0.52 0.00 0.00 175.17 177.26 3ju5 n LEU 101 N 5.32 4.85 -4.55 -1.34 4.77 -1.26 -2.49 117.00 122.30 3ju5 n LEU 101 Ca -0.03 -3.62 -0.42 0.00 -0.03 0.00 0.00 56.01 51.91 3ju5 n LEU 101 Cb 0.47 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3ju5 n LEU 101 CO 0.02 1.12 0.95 -0.62 -1.33 0.00 0.00 177.39 177.54 3ju5 s ASP 102 N -2.08 6.38 0.51 -1.43 -1.08 -1.26 -4.87 116.67 112.83 3ju5 s ASP 102 Ca 0.48 -0.14 0.23 0.00 -0.52 0.00 0.00 52.55 52.59 3ju5 s ASP 102 Cb 0.42 -2.51 1.37 0.00 -1.46 0.00 0.00 42.92 40.74 3ju5 s ASP 102 CO 0.04 -1.41 2.09 0.00 0.52 0.00 0.00 175.17 176.41 3ju5 h ALA 103 N 9.50 1.54 0.00 3.66 0.00 -1.93 -2.29 119.26 129.74 3ju5 h ALA 103 Ca -0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3ju5 h ALA 103 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3ju5 h ALA 103 CO 1.16 0.13 0.00 -1.13 0.00 0.00 0.00 179.25 179.41 3ju5 n SER 104 N -3.99 0.00 -1.11 0.00 3.41 -1.26 -1.70 113.62 108.96 3ju5 n SER 104 Ca -0.02 0.37 0.12 0.00 -0.26 0.00 0.00 58.87 59.07 3ju5 n SER 104 Cb 0.19 -0.42 0.19 0.00 -0.26 0.00 0.00 64.21 63.90 3ju5 n SER 104 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ju5 n LYS 105 N -1.42 2.47 -2.85 4.33 5.02 -0.86 -4.93 118.16 119.91 3ju5 n LYS 105 Ca 0.04 -2.21 -0.40 0.00 -2.02 0.00 0.00 58.31 53.71 3ju5 n LYS 105 Cb 0.12 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 3ju5 n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ju5 s ILE 106 N -1.61 4.49 0.28 -0.18 -1.09 -0.69 -5.00 121.20 117.40 3ju5 s ILE 106 Ca 0.36 1.88 -0.29 0.00 -2.23 0.00 0.00 60.65 60.37 3ju5 s ILE 106 Cb 0.22 -4.23 -0.13 0.00 -1.58 0.00 0.00 42.46 36.74 3ju5 s ILE 106 CO 0.31 0.39 1.27 0.18 -1.23 0.00 0.00 174.94 175.87 3ju5 n LEU 107 N 2.42 2.94 -1.09 2.97 4.77 -1.26 -4.88 117.00 122.87 3ju5 n LEU 107 Ca -0.01 1.17 0.09 0.00 -0.03 0.00 0.00 56.01 57.23 3ju5 n LEU 107 Cb 0.49 -1.41 0.25 0.00 -2.33 0.00 0.00 43.42 40.42 3ju5 n LEU 107 CO 0.49 -0.70 0.71 -0.90 -1.33 0.00 0.00 177.39 175.66 3ju5 n ASP 108 N 1.44 3.16 -4.76 -1.43 5.68 -1.26 -4.35 116.55 115.03 3ju5 n ASP 108 Ca 0.09 -2.07 -0.41 0.00 -0.50 0.00 0.00 54.79 51.90 3ju5 n ASP 108 Cb 0.33 -0.40 -0.01 0.00 -1.14 0.00 0.00 41.12 39.89 3ju5 n ASP 108 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 3ju5 s ASP 109 N -0.96 6.42 -0.39 -1.12 1.11 -1.26 -4.89 116.67 115.59 3ju5 s ASP 109 Ca 0.38 2.93 -0.18 0.00 0.18 0.00 0.00 52.55 55.86 3ju5 s ASP 109 Cb 0.21 -2.64 0.01 0.00 1.07 0.00 0.00 42.92 41.56 3ju5 s ASP 109 CO 0.24 -0.86 0.47 -0.69 1.18 0.00 0.00 175.17 175.52 3ju5 s VAL 110 N -0.37 5.05 0.42 -1.27 1.01 -1.26 -4.68 120.40 119.30 3ju5 s VAL 110 Ca 0.59 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 3ju5 s VAL 110 Cb -0.46 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 31.84 3ju5 s VAL 110 CO 0.52 -0.32 1.24 -0.76 0.00 0.00 0.00 175.10 175.78 3ju5 s LEU 111 N 2.27 4.17 -0.01 3.92 1.43 0.17 -4.81 118.68 125.82 3ju5 s LEU 111 Ca 0.15 2.51 -0.34 0.00 -1.03 0.00 0.00 54.13 55.42 3ju5 s LEU 111 Cb -0.16 -4.00 -0.12 0.00 0.03 0.00 0.00 46.19 41.93 3ju5 s LEU 111 CO 0.14 -0.83 1.80 -0.67 0.23 0.00 0.00 176.35 177.02 3ju5 n ASP 112 N -0.02 3.42 0.01 2.29 -0.08 -1.26 -3.99 116.55 116.92 3ju5 n ASP 112 Ca 0.05 1.00 0.09 0.00 -1.51 0.00 0.00 54.79 54.41 3ju5 n ASP 112 Cb 0.45 -1.40 0.38 0.00 2.34 0.00 0.00 41.12 42.90 3ju5 n ASP 112 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3ju5 n PRO 113 N 5.80 0.01 0.18 -0.67 -0.04 -1.26 -0.55 135.00 138.47 3ju5 n PRO 113 Ca 0.21 0.20 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 3ju5 n PRO 113 Cb 0.30 -1.52 0.48 0.00 -0.04 0.00 0.00 33.50 32.73 3ju5 n PRO 113 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ju5 h ALA 114 N 2.60 1.00 0.00 0.55 0.00 -2.01 -3.36 119.26 118.03 3ju5 h ALA 114 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3ju5 h ALA 114 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ju5 h ALA 114 CO 0.00 0.00 -1.63 0.66 0.00 0.00 0.00 179.25 178.28 3ju5 n TYR 115 N -2.63 0.00 -3.33 0.00 4.01 -0.26 -4.89 117.16 110.06 3ju5 n TYR 115 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 3ju5 n TYR 115 Cb 0.34 -0.42 -0.09 0.00 -0.31 0.00 0.00 39.34 38.87 3ju5 n TYR 115 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3ju5 s VAL 116 N -2.21 5.09 0.03 -0.72 1.01 0.29 -0.88 120.40 123.01 3ju5 s VAL 116 Ca -0.15 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3ju5 s VAL 116 Cb 0.05 -3.97 -0.30 0.00 0.00 0.00 0.00 36.38 32.16 3ju5 s VAL 116 CO 0.23 -0.30 1.06 0.40 0.00 0.00 0.00 175.10 176.49 3ju5 h ILE 117 N 5.66 1.32 -2.86 2.22 2.04 -1.07 -3.34 117.51 121.49 3ju5 h ILE 117 Ca -0.28 -2.46 0.01 0.00 1.00 0.00 0.00 64.86 63.13 3ju5 h ILE 117 Cb 1.12 2.79 -0.12 0.00 -0.74 0.00 0.00 36.82 39.87 3ju5 h ILE 117 CO 0.76 0.74 0.27 -0.94 0.00 0.00 0.00 178.15 178.98 3ju5 s SER 118 N -7.34 -0.52 -0.01 1.72 1.04 -1.23 -1.12 113.70 106.25 3ju5 s SER 118 Ca -0.10 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.33 3ju5 s SER 118 Cb 0.05 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.73 3ju5 s SER 118 CO 0.91 -0.92 -0.09 -0.44 0.98 0.00 0.00 173.24 173.69 3ju5 s SER 119 N -2.71 1.11 -0.09 7.02 0.01 -0.39 -1.46 113.70 117.19 3ju5 s SER 119 Ca 0.02 -0.17 -0.08 0.00 1.31 0.00 0.00 55.95 57.03 3ju5 s SER 119 Cb -0.01 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 66.04 3ju5 s SER 119 CO -0.11 0.09 0.24 -0.60 0.41 0.00 0.00 173.24 173.27 3ju5 s ARG 120 N -0.04 0.27 -0.08 12.44 3.52 -0.29 -1.67 118.95 133.11 3ju5 s ARG 120 Ca 0.01 0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.97 3ju5 s ARG 120 Cb -0.06 0.12 0.02 0.00 -1.56 0.00 0.00 34.95 33.47 3ju5 s ARG 120 CO -0.00 -0.04 -0.10 0.08 -0.81 0.00 0.00 175.30 174.42 3ju5 s VAL 121 N 0.20 1.07 0.03 7.11 1.01 -0.06 -0.83 120.40 128.93 3ju5 s VAL 121 Ca -0.01 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3ju5 s VAL 121 Cb -0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 3ju5 s VAL 121 CO -0.00 0.35 -0.19 -0.60 0.00 0.00 0.00 175.10 174.66 3ju5 s ARG 122 N 0.98 1.31 0.31 2.72 3.00 -0.22 -0.80 118.95 126.25 3ju5 s ARG 122 Ca -0.09 -0.83 0.01 0.00 -1.00 0.00 0.00 55.73 53.83 3ju5 s ARG 122 Cb -0.15 -1.36 -0.02 0.00 0.00 0.00 0.00 34.95 33.42 3ju5 s ARG 122 CO -0.00 0.35 0.35 -0.08 0.00 0.00 0.00 175.30 175.92 3ju5 s THR 123 N -0.71 0.00 0.14 4.11 -1.32 0.09 -0.93 115.64 117.02 3ju5 s THR 123 Ca 0.06 -1.81 0.05 0.00 -1.21 0.00 0.00 61.69 58.79 3ju5 s THR 123 Cb -0.08 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 3ju5 s THR 123 CO 0.01 0.00 -0.12 -0.83 -2.21 0.00 0.00 174.62 171.47 3ju5 s GLY 124 N -3.27 1.10 -0.07 6.08 0.00 -1.26 -0.39 107.32 109.52 3ju5 s GLY 124 Ca 0.35 -1.43 -0.08 0.00 0.00 0.00 0.00 44.72 43.56 3ju5 s GLY 124 CO 0.22 -1.52 0.22 0.50 0.00 0.00 0.00 173.10 172.51 3ju5 s ARG 125 N -3.35 0.33 0.26 2.90 1.81 -0.75 -4.89 118.95 115.26 3ju5 s ARG 125 Ca 0.14 0.17 0.10 0.00 -1.72 0.00 0.00 55.73 54.42 3ju5 s ARG 125 Cb -0.00 0.15 -0.05 0.00 -0.45 0.00 0.00 34.95 34.60 3ju5 s ARG 125 CO 0.02 -0.06 -0.08 -0.80 -0.68 0.00 0.00 175.30 173.71 3ju5 s ASN 126 N -0.22 4.20 -0.21 0.23 0.01 -1.26 -1.09 114.94 116.60 3ju5 s ASN 126 Ca -0.03 -0.77 -0.17 0.00 -0.71 0.00 0.00 52.86 51.18 3ju5 s ASN 126 Cb -0.03 -0.65 -0.04 0.00 0.41 0.00 0.00 41.25 40.94 3ju5 s ASN 126 CO 0.01 0.02 0.44 -0.63 -1.51 0.00 0.00 177.10 175.43 3ju5 s ILE 127 N -2.33 5.16 0.17 0.60 -1.09 -1.26 -4.37 121.20 118.08 3ju5 s ILE 127 Ca 0.30 0.79 -0.33 0.00 -2.23 0.00 0.00 60.65 59.18 3ju5 s ILE 127 Cb -0.06 -3.77 -0.15 0.00 -1.58 0.00 0.00 42.46 36.90 3ju5 s ILE 127 CO 0.18 0.21 1.30 -1.14 -1.23 0.00 0.00 174.94 174.26 3ju5 n ARG 128 N 4.70 1.50 -1.06 2.79 0.63 0.12 -4.79 116.66 120.54 3ju5 n ARG 128 Ca -0.07 0.53 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 3ju5 n ARG 128 Cb 0.51 -2.13 0.00 0.00 0.45 0.00 0.00 32.46 31.29 3ju5 n ARG 128 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ju5 n GLY 129 N 2.28 0.76 3.74 5.14 0.00 -1.26 -4.74 105.19 111.11 3ju5 n GLY 129 Ca 0.15 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 3ju5 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ju5 s ALA 131 N -2.51 3.44 0.76 4.61 0.00 -1.26 -5.13 121.76 121.66 3ju5 s ALA 131 Ca 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 3ju5 s ALA 131 Cb 0.00 -1.28 0.06 0.00 0.00 0.00 0.00 23.12 21.91 3ju5 s ALA 131 CO 0.00 0.61 1.12 -0.51 0.00 0.00 0.00 175.76 176.98 3ju5 s LEU 132 N -2.70 2.66 0.54 0.00 1.43 -0.13 -4.42 118.68 116.06 3ju5 s LEU 132 Ca 0.29 0.76 0.29 0.00 -1.03 0.00 0.00 54.13 54.44 3ju5 s LEU 132 Cb -0.11 -3.35 1.45 0.00 0.03 0.00 0.00 46.19 44.21 3ju5 s LEU 132 CO 0.21 -1.72 1.94 0.77 0.23 0.00 0.00 176.35 177.77 3ju5 h SER 133 N -0.86 0.00 0.73 2.29 4.64 -1.84 0.13 113.55 118.64 3ju5 h SER 133 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3ju5 h SER 133 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3ju5 h SER 133 CO 0.64 0.00 0.00 -2.65 -0.87 0.00 0.00 176.83 173.95 3ju5 n PRO 134 N -4.23 0.08 0.00 4.77 -0.02 -1.26 -3.88 135.00 130.45 3ju5 n PRO 134 Ca 0.14 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3ju5 n PRO 134 Cb 0.78 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.63 3ju5 n PRO 134 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3ju5 n HIS 135 N -1.78 0.00 -1.69 6.00 -0.00 0.24 -4.68 115.22 113.32 3ju5 n HIS 135 Ca 0.04 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.33 3ju5 n HIS 135 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.22 3ju5 n HIS 135 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 3ju5 n VAL 136 N -0.76 2.01 -3.16 3.57 3.14 0.05 -4.93 118.33 118.24 3ju5 n VAL 136 Ca 0.00 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.70 3ju5 n VAL 136 Cb 0.00 -1.51 0.01 0.00 -1.06 0.00 0.00 33.84 31.28 3ju5 n VAL 136 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ju5 h ARG 138 N 0.70 1.19 -0.03 0.00 3.08 -1.98 -0.31 114.38 117.03 3ju5 h ARG 138 Ca -0.42 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.42 3ju5 h ARG 138 Cb 1.27 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.12 3ju5 h ARG 138 CO 0.49 0.95 0.02 0.66 -1.07 0.00 0.00 179.97 181.01 3ju5 h SER 139 N 1.16 0.03 -0.72 7.04 4.64 -1.99 0.32 113.55 124.03 3ju5 h SER 139 Ca 0.27 -0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.60 3ju5 h SER 139 Cb 0.19 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 3ju5 h SER 139 CO -0.02 0.08 0.41 -0.33 -0.87 0.00 0.00 176.83 176.09 3ju5 h GLU 140 N -0.02 0.71 -0.37 4.77 5.08 -1.90 -1.69 114.58 121.17 3ju5 h GLU 140 Ca 0.01 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 3ju5 h GLU 140 Cb 0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3ju5 h GLU 140 CO -0.00 0.47 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.10 3ju5 h ARG 141 N 0.73 0.84 -0.58 2.33 2.43 -0.84 -0.64 114.38 118.66 3ju5 h ARG 141 Ca 0.33 -0.42 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3ju5 h ARG 141 Cb 0.22 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3ju5 h ARG 141 CO -0.20 1.05 0.14 0.00 -1.51 0.00 0.00 179.97 179.46 3ju5 h ARG 142 N 0.64 0.89 -0.75 0.20 3.08 -0.78 -1.53 114.38 116.13 3ju5 h ARG 142 Ca 0.07 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3ju5 h ARG 142 Cb 0.86 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.75 3ju5 h ARG 142 CO 0.08 0.80 0.29 0.00 -1.07 0.00 0.00 179.97 180.06 3ju5 h ALA 143 N 1.30 0.97 -0.60 0.04 0.00 -0.96 0.35 119.26 120.36 3ju5 h ALA 143 Ca 0.19 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ju5 h ALA 143 Cb 0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3ju5 h ALA 143 CO -0.00 0.61 0.38 0.82 0.00 0.00 0.00 179.25 181.05 3ju5 h ILE 144 N 1.08 1.11 -0.67 0.00 2.04 -0.86 -2.66 117.51 117.54 3ju5 h ILE 144 Ca 0.25 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3ju5 h ILE 144 Cb 0.23 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3ju5 h ILE 144 CO -0.02 0.14 0.44 -0.08 0.00 0.00 0.00 178.15 178.63 3ju5 h GLU 145 N 0.76 0.89 -0.32 2.37 4.81 -0.73 -0.62 114.58 121.74 3ju5 h GLU 145 Ca 0.23 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3ju5 h GLU 145 Cb -0.03 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.15 3ju5 h GLU 145 CO -0.08 0.60 0.00 1.17 -0.73 0.00 0.00 179.01 179.97 3ju5 n LYS 146 N -4.61 0.33 0.00 1.92 4.81 0.06 -0.63 118.16 120.05 3ju5 n LYS 146 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3ju5 n LYS 146 Cb 0.03 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 33.91 3ju5 n LYS 146 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3ju5 n VAL 148 N 0.32 0.00 -0.20 3.15 0.31 -0.24 -1.10 118.33 120.57 3ju5 n VAL 148 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3ju5 n VAL 148 Cb 0.08 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.04 3ju5 n VAL 148 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3ju5 h SER 149 N 0.00 0.64 -0.66 4.52 4.64 -1.08 0.29 113.55 121.89 3ju5 h SER 149 Ca 0.00 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3ju5 h SER 149 Cb 0.00 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 3ju5 h SER 149 CO 0.00 0.46 0.40 -0.33 -0.87 0.00 0.00 176.83 176.49 3ju5 h GLU 150 N 0.75 0.90 -0.54 4.77 5.08 -1.31 0.78 114.58 125.02 3ju5 h GLU 150 Ca 0.21 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3ju5 h GLU 150 Cb -0.07 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 3ju5 h GLU 150 CO -0.05 0.64 0.30 0.00 -1.00 0.00 0.00 179.01 178.90 3ju5 h ALA 151 N 1.21 0.69 -0.15 3.43 0.00 -1.72 -2.10 119.26 120.61 3ju5 h ALA 151 Ca 0.24 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3ju5 h ALA 151 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ju5 h ALA 151 CO -0.04 0.20 -0.40 -0.07 0.00 0.00 0.00 179.25 178.93 3ju5 h LEU 152 N 0.72 0.35 -1.56 0.00 3.38 -0.58 -2.23 115.31 115.38 3ju5 h LEU 152 Ca 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ju5 h LEU 152 Cb 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ju5 h LEU 152 CO -0.03 0.71 0.00 0.78 0.09 0.00 0.00 178.44 179.99 3ju5 h ASN 153 N 0.28 0.00 1.04 -0.43 2.35 -0.56 -2.56 115.58 115.70 3ju5 h ASN 153 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3ju5 h ASN 153 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 3ju5 h ASN 153 CO 0.07 0.00 -0.21 -1.54 -1.65 0.00 0.00 177.43 174.10 3ju5 n SER 154 N -3.00 0.47 -4.77 5.81 3.41 -0.82 -4.89 113.62 109.84 3ju5 n SER 154 Ca 0.00 0.32 -0.40 0.00 -0.26 0.00 0.00 58.87 58.54 3ju5 n SER 154 Cb 0.27 -0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 3ju5 n SER 154 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ju5 s LEU 155 N -3.71 4.29 0.48 1.04 1.43 -0.97 -5.02 118.68 116.22 3ju5 s LEU 155 Ca 0.11 2.64 0.02 0.00 -1.03 0.00 0.00 54.13 55.87 3ju5 s LEU 155 Cb 0.16 -3.82 -0.02 0.00 0.03 0.00 0.00 46.19 42.54 3ju5 s LEU 155 CO 0.62 -0.71 0.04 0.00 0.23 0.00 0.00 176.35 176.53 3ju5 s ALA 156 N -1.23 3.72 0.00 4.21 0.00 -1.26 -3.86 121.76 123.35 3ju5 s ALA 156 Ca 0.54 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.81 3ju5 s ALA 156 Cb -0.38 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.00 3ju5 s ALA 156 CO 0.49 -0.12 0.00 0.00 0.00 0.00 0.00 175.76 176.13 3ju5 n ALA 157 N -1.15 0.00 0.45 0.00 0.00 -1.26 -1.20 120.51 117.35 3ju5 n ALA 157 Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.38 3ju5 n ALA 157 Cb 0.66 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.47 3ju5 n ALA 157 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3ju5 n ASP 158 N 3.54 0.21 -0.42 0.00 5.75 -1.26 -2.41 116.55 121.96 3ju5 n ASP 158 Ca 0.00 0.55 0.14 0.00 -0.01 0.00 0.00 54.79 55.47 3ju5 n ASP 158 Cb 0.00 -0.60 0.46 0.00 -1.03 0.00 0.00 41.12 39.95 3ju5 n ASP 158 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3ju5 n LEU 159 N -1.74 1.41 -4.70 -2.12 4.77 -0.34 -4.65 117.00 109.63 3ju5 n LEU 159 Ca 0.03 -0.45 -0.43 0.00 -0.03 0.00 0.00 56.01 55.13 3ju5 n LEU 159 Cb 0.18 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3ju5 n LEU 159 CO 0.15 0.24 1.34 1.17 -1.33 0.00 0.00 177.39 178.97 3ju5 n LYS 160 N -0.04 2.59 -0.04 3.23 3.00 -1.01 -4.50 118.16 121.38 3ju5 n LYS 160 Ca 0.17 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.41 3ju5 n LYS 160 Cb 0.36 -2.77 0.00 0.00 0.00 0.00 0.00 35.03 32.62 3ju5 n LYS 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ju5 n GLY 161 N 3.87 3.86 3.11 3.14 0.00 -1.26 -0.44 105.19 117.48 3ju5 n GLY 161 Ca 0.17 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 3ju5 n GLY 161 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ju5 s LYS 162 N 0.91 0.44 -0.14 1.61 2.20 -0.69 -4.91 119.74 119.16 3ju5 s LYS 162 Ca 0.00 -0.22 -0.07 0.00 -0.36 0.00 0.00 55.97 55.33 3ju5 s LYS 162 Cb 0.00 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.47 3ju5 s LYS 162 CO 0.00 -0.10 0.09 -0.47 -0.36 0.00 0.00 175.35 174.51 3ju5 s TYR 163 N -1.02 3.38 -0.49 4.03 5.04 -1.26 -2.62 117.35 124.40 3ju5 s TYR 163 Ca -0.11 0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.84 3ju5 s TYR 163 Cb -0.06 -1.99 0.13 0.00 0.35 0.00 0.00 41.96 40.40 3ju5 s TYR 163 CO 0.02 0.44 0.25 0.71 -1.34 0.00 0.00 175.55 175.62 3ju5 s TYR 164 N -0.35 2.83 0.34 4.97 2.02 0.40 -5.01 117.35 122.55 3ju5 s TYR 164 Ca 0.10 -2.94 -0.29 0.00 -0.37 0.00 0.00 57.07 53.57 3ju5 s TYR 164 Cb -0.12 -2.54 -0.10 0.00 -0.40 0.00 0.00 41.96 38.80 3ju5 s TYR 164 CO 0.02 -0.76 1.36 0.45 -1.57 0.00 0.00 175.55 175.05 3ju5 s SER 165 N -0.06 6.64 0.00 2.29 0.15 -1.26 -1.54 113.70 119.93 3ju5 s SER 165 Ca 0.17 2.79 -0.01 0.00 0.70 0.00 0.00 55.95 59.60 3ju5 s SER 165 Cb -0.25 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.36 3ju5 s SER 165 CO -0.00 -0.64 1.11 0.18 1.20 0.00 0.00 173.24 175.09 3ju5 n LEU 166 N 0.76 1.84 -0.46 3.45 4.77 -0.33 -4.93 117.00 122.10 3ju5 n LEU 166 Ca 0.01 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 3ju5 n LEU 166 Cb 0.41 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3ju5 n LEU 166 CO 0.61 0.31 0.00 0.29 -1.33 0.00 0.00 177.39 177.27 3ju5 n LYS 168 N 2.29 0.00 -4.14 3.23 5.02 -1.26 -5.05 118.16 118.25 3ju5 n LYS 168 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 3ju5 n LYS 168 Cb 0.24 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.18 3ju5 n LYS 168 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3ju5 s ASP 170 N 0.00 0.58 0.36 4.39 1.47 -1.26 -5.12 116.67 117.09 3ju5 s ASP 170 Ca 0.00 -1.39 0.04 0.00 1.18 0.00 0.00 52.55 52.38 3ju5 s ASP 170 Cb 0.00 0.53 0.68 0.00 -0.34 0.00 0.00 42.92 43.79 3ju5 s ASP 170 CO 0.00 -1.06 1.97 -0.33 0.68 0.00 0.00 175.17 176.43 3ju5 h GLU 171 N 2.32 0.64 -0.36 2.11 5.08 -2.03 -0.87 114.58 121.46 3ju5 h GLU 171 Ca -0.30 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 57.91 3ju5 h GLU 171 Cb 1.24 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3ju5 h GLU 171 CO 0.43 0.50 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.63 3ju5 h LYS 172 N 0.64 0.70 -0.37 2.33 1.63 -2.03 -0.28 116.57 119.19 3ju5 h LYS 172 Ca 0.16 -0.27 -0.07 0.00 -0.85 0.00 0.00 60.65 59.63 3ju5 h LYS 172 Cb 0.08 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 3ju5 h LYS 172 CO -0.02 0.85 -0.04 1.15 -3.45 0.00 0.00 179.45 177.94 3ju5 h THR 173 N 0.49 1.27 -0.25 1.00 2.02 -1.95 0.07 112.91 115.56 3ju5 h THR 173 Ca 0.09 -1.07 0.05 0.00 0.77 0.00 0.00 66.41 66.25 3ju5 h THR 173 Cb 0.59 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.17 3ju5 h THR 173 CO 0.04 0.35 -0.06 -0.61 0.37 0.00 0.00 175.52 175.61 3ju5 h GLN 174 N 0.49 0.01 -0.57 6.66 4.15 -0.98 -0.84 115.11 124.03 3ju5 h GLN 174 Ca 0.10 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.52 3ju5 h GLN 174 Cb 0.52 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.18 3ju5 h GLN 174 CO 0.03 0.00 0.36 0.37 -1.93 0.00 0.00 178.83 177.66 3ju5 h GLN 175 N 0.01 0.77 -0.45 1.69 5.75 -0.90 -1.30 115.11 120.68 3ju5 h GLN 175 Ca 0.12 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 3ju5 h GLN 175 Cb 0.18 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 3ju5 h GLN 175 CO -0.25 0.54 0.22 0.37 -2.65 0.00 0.00 178.83 177.06 3ju5 h GLN 176 N 0.77 0.42 -0.24 1.69 5.75 -0.60 -0.43 115.11 122.48 3ju5 h GLN 176 Ca 0.21 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 3ju5 h GLN 176 Cb -0.04 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3ju5 h GLN 176 CO -0.04 0.28 -0.08 -0.07 -2.65 0.00 0.00 178.83 176.27 3ju5 h LEU 177 N 0.43 0.35 0.07 -2.39 3.38 -0.82 -0.62 115.31 115.72 3ju5 h LEU 177 Ca 0.20 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ju5 h LEU 177 Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ju5 h LEU 177 CO -0.15 0.47 -0.03 0.40 0.09 0.00 0.00 178.44 179.22 3ju5 h ILE 178 N 0.35 1.14 -1.00 1.22 2.04 -0.97 0.30 117.51 120.59 3ju5 h ILE 178 Ca 0.07 -0.75 0.18 0.00 1.00 0.00 0.00 64.86 65.36 3ju5 h ILE 178 Cb 0.37 1.62 -0.10 0.00 -0.74 0.00 0.00 36.82 37.97 3ju5 h ILE 178 CO 0.02 0.19 0.62 0.44 0.00 0.00 0.00 178.15 179.41 3ju5 h ASP 179 N -0.44 0.78 0.56 1.72 3.32 -0.79 -1.65 116.42 119.93 3ju5 h ASP 179 Ca -0.01 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3ju5 h ASP 179 Cb 0.38 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3ju5 h ASP 179 CO 0.02 0.31 0.00 0.47 -1.72 0.00 0.00 179.24 178.32 3ju5 n ASP 180 N -4.72 0.00 -3.37 6.45 8.00 -0.27 -4.92 116.55 117.74 3ju5 n ASP 180 Ca 0.22 -0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.36 3ju5 n ASP 180 Cb 0.54 -0.28 0.07 0.00 -0.02 0.00 0.00 41.12 41.43 3ju5 n ASP 180 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ju5 n HIS 181 N -1.28 -2.64 0.06 1.24 8.25 -0.62 -4.93 115.22 115.31 3ju5 n HIS 181 Ca 0.14 0.94 0.06 0.00 -0.26 0.00 0.00 57.72 58.60 3ju5 n HIS 181 Cb 0.24 -4.77 -0.10 0.00 1.12 0.00 0.00 29.99 26.48 3ju5 n HIS 181 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3ju5 n PHE 182 N -4.76 0.00 -2.90 4.41 3.72 0.97 -4.98 117.46 113.92 3ju5 n PHE 182 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3ju5 n PHE 182 Cb 0.56 -0.26 -0.04 0.00 -0.94 0.00 0.00 39.48 38.81 3ju5 n PHE 182 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ju5 s LEU 183 N -3.73 4.30 0.42 4.37 1.43 -1.20 -5.00 118.68 119.26 3ju5 s LEU 183 Ca -0.04 1.34 -0.22 0.00 -1.03 0.00 0.00 54.13 54.18 3ju5 s LEU 183 Cb 0.08 -3.28 -0.10 0.00 0.03 0.00 0.00 46.19 42.93 3ju5 s LEU 183 CO 0.53 -0.23 1.00 0.72 0.23 0.00 0.00 176.35 178.60 3ju5 s PHE 184 N 1.20 3.26 0.41 0.29 -0.71 -1.26 -4.98 117.98 116.19 3ju5 s PHE 184 Ca 0.42 1.64 -0.26 0.00 -1.04 0.00 0.00 56.93 57.69 3ju5 s PHE 184 Cb -0.18 -3.00 -0.10 0.00 -1.21 0.00 0.00 43.02 38.52 3ju5 s PHE 184 CO 0.20 -0.42 1.41 -0.25 -1.34 0.00 0.00 175.22 174.81 3ju5 n ASP 185 N -0.39 3.27 -4.75 1.98 8.00 -1.26 -4.98 116.55 118.42 3ju5 n ASP 185 Ca 0.06 1.16 -0.32 0.00 0.71 0.00 0.00 54.79 56.41 3ju5 n ASP 185 Cb 0.52 -1.58 0.09 0.00 -0.02 0.00 0.00 41.12 40.13 3ju5 n ASP 185 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ju5 s ARG 186 N -2.25 2.16 -1.24 -1.24 0.52 -1.26 -4.86 118.95 110.79 3ju5 s ARG 186 Ca 0.58 1.29 -0.12 0.00 -0.52 0.00 0.00 55.73 56.97 3ju5 s ARG 186 Cb -0.48 -1.88 0.17 0.00 0.52 0.00 0.00 34.95 33.28 3ju5 s ARG 186 CO 0.60 -1.73 1.65 -0.35 0.02 0.00 0.00 175.30 175.49 3ju5 n PRO 187 N -3.39 3.50 0.00 3.54 -0.04 -1.26 -4.51 135.00 132.83 3ju5 n PRO 187 Ca 0.10 -3.70 0.08 0.00 -0.04 0.00 0.00 63.50 59.94 3ju5 n PRO 187 Cb 0.53 -2.99 -0.06 0.00 -0.04 0.00 0.00 33.50 30.94 3ju5 n PRO 187 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3ju5 n VAL 188 N 3.99 0.00 -2.09 0.52 0.24 -1.26 -4.50 118.33 115.22 3ju5 n VAL 188 Ca 0.38 -0.19 -0.35 0.00 -2.04 0.00 0.00 64.34 62.14 3ju5 n VAL 188 Cb 0.40 1.06 0.02 0.00 -1.47 0.00 0.00 33.84 33.85 3ju5 n VAL 188 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3ju5 s SER 189 N -2.31 5.38 0.49 -1.34 1.04 -1.26 -4.85 113.70 110.84 3ju5 s SER 189 Ca 0.08 2.29 0.14 0.00 0.48 0.00 0.00 55.95 58.94 3ju5 s SER 189 Cb 0.12 -2.59 1.14 0.00 0.10 0.00 0.00 66.02 64.79 3ju5 s SER 189 CO 0.57 -1.46 2.09 0.03 0.98 0.00 0.00 173.24 175.46 3ju5 h ARG 190 N 0.95 0.07 -0.52 4.02 3.08 -1.99 -0.33 114.38 119.67 3ju5 h ARG 190 Ca -0.50 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.64 3ju5 h ARG 190 Cb 1.28 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.23 3ju5 h ARG 190 CO 0.56 0.10 0.03 1.25 -1.07 0.00 0.00 179.97 180.83 3ju5 h HIS 191 N 0.07 0.02 -0.18 3.04 2.76 -1.94 0.00 115.15 118.93 3ju5 h HIS 191 Ca 0.02 0.04 -0.19 0.00 -2.20 0.00 0.00 60.37 58.04 3ju5 h HIS 191 Cb 0.08 0.07 0.01 0.00 1.55 0.00 0.00 27.41 29.12 3ju5 h HIS 191 CO 0.00 -0.09 -0.61 0.74 -1.30 0.00 0.00 177.93 176.67 3ju5 h PHE 192 N 0.15 0.97 -0.08 5.26 -1.00 -1.43 -2.01 116.94 118.79 3ju5 h PHE 192 Ca 0.26 -0.40 -0.12 0.00 2.81 0.00 0.00 57.97 60.53 3ju5 h PHE 192 Cb 0.39 -0.16 0.01 0.00 3.61 0.00 0.00 35.95 39.80 3ju5 h PHE 192 CO -0.30 1.21 -0.41 1.79 -1.61 0.00 0.00 178.31 178.99 3ju5 h THR 193 N 0.45 1.40 -0.72 -1.55 1.35 -1.15 -2.81 112.91 109.89 3ju5 h THR 193 Ca -0.02 -1.78 -0.02 0.00 -0.55 0.00 0.00 66.41 64.04 3ju5 h THR 193 Cb 1.24 2.27 -0.03 0.00 -1.73 0.00 0.00 68.15 69.89 3ju5 h THR 193 CO 0.13 0.52 0.39 0.28 -0.25 0.00 0.00 175.52 176.59 3ju5 h SER 194 N -0.02 0.89 0.02 5.36 0.02 -1.11 -2.33 113.55 116.38 3ju5 h SER 194 Ca -0.03 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 3ju5 h SER 194 Cb 1.06 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3ju5 h SER 194 CO 0.09 0.72 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 3ju5 n GLY 195 N -1.20 -0.75 2.19 -3.77 0.00 -0.75 -3.86 105.19 97.05 3ju5 n GLY 195 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 3ju5 n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ju5 n GLY 196 N 0.48 -0.88 2.61 -0.02 0.00 -0.88 -4.35 105.19 102.14 3ju5 n GLY 196 Ca 0.17 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3ju5 n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ju5 n ALA 198 N -0.84 0.00 -1.71 4.61 0.00 -1.22 -4.48 120.51 116.88 3ju5 n ALA 198 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 3ju5 n ALA 198 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 3ju5 n ALA 198 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ju5 n ARG 199 N 0.04 2.26 -0.41 0.00 1.74 -1.26 -2.71 116.66 116.32 3ju5 n ARG 199 Ca 0.00 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 3ju5 n ARG 199 Cb 0.00 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 3ju5 n ARG 199 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ju5 n ASP 200 N 1.33 0.00 -4.62 0.55 8.00 -1.26 -4.91 116.55 115.64 3ju5 n ASP 200 Ca 0.07 0.00 -0.47 0.00 0.71 0.00 0.00 54.79 55.10 3ju5 n ASP 200 Cb 0.35 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3ju5 n ASP 200 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3ju5 n PHE 201 N -2.00 1.71 -0.93 1.24 7.35 -1.10 -0.19 117.46 123.54 3ju5 n PHE 201 Ca 0.00 0.56 -0.01 0.00 -0.76 0.00 0.00 57.45 57.23 3ju5 n PHE 201 Cb 0.00 -2.37 0.34 0.00 0.35 0.00 0.00 39.48 37.80 3ju5 n PHE 201 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3ju5 n PRO 202 N 1.92 4.11 -1.88 -7.13 -0.04 -1.26 -5.12 135.00 125.60 3ju5 n PRO 202 Ca 0.13 -3.03 -0.42 0.00 -0.04 0.00 0.00 63.50 60.14 3ju5 n PRO 202 Cb 0.28 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 3ju5 n PRO 202 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3ju5 s ASP 203 N -0.88 6.55 0.00 3.54 2.15 0.73 -1.52 116.67 127.23 3ju5 s ASP 203 Ca 0.54 2.61 0.00 0.00 0.43 0.00 0.00 52.55 56.13 3ju5 s ASP 203 Cb 0.42 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 3ju5 s ASP 203 CO 0.14 -0.89 0.00 0.61 -0.17 0.00 0.00 175.17 174.86 3ju5 n GLY 204 N 3.94 0.96 3.93 2.66 0.00 -1.26 -4.96 105.19 110.46 3ju5 n GLY 204 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3ju5 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ju5 s ARG 205 N -0.25 3.46 0.05 1.61 3.00 -0.58 -4.56 118.95 121.67 3ju5 s ARG 205 Ca 0.00 -0.47 -0.27 0.00 0.00 0.00 0.00 55.73 54.99 3ju5 s ARG 205 Cb 0.00 -2.98 0.09 0.00 0.00 0.00 0.00 34.95 32.06 3ju5 s ARG 205 CO 0.00 0.55 1.20 0.20 0.00 0.00 0.00 175.30 177.25 3ju5 s GLY 206 N -2.85 -0.13 0.03 -3.53 0.00 -1.11 -1.19 107.32 98.54 3ju5 s GLY 206 Ca 0.35 0.09 0.05 0.00 0.00 0.00 0.00 44.72 45.21 3ju5 s GLY 206 CO 0.28 3.26 -0.14 -1.50 0.00 0.00 0.00 173.10 175.00 3ju5 s ILE 207 N -2.22 1.11 0.04 0.90 -1.16 -0.59 -0.43 121.20 118.85 3ju5 s ILE 207 Ca 0.23 -0.94 0.06 0.00 -0.51 0.00 0.00 60.65 59.49 3ju5 s ILE 207 Cb 0.00 -1.00 -0.02 0.00 0.61 0.00 0.00 42.46 42.05 3ju5 s ILE 207 CO 0.00 0.05 -0.17 0.86 -2.81 0.00 0.00 174.94 172.88 3ju5 s TRP 208 N -0.78 1.45 0.08 3.50 -0.00 0.32 -0.45 118.94 123.06 3ju5 s TRP 208 Ca 0.02 -0.35 -0.10 0.00 -0.00 0.00 0.00 56.10 55.67 3ju5 s TRP 208 Cb -0.07 -0.87 0.01 0.00 -0.00 0.00 0.00 33.47 32.53 3ju5 s TRP 208 CO 0.01 0.05 0.23 -3.38 -0.00 0.00 0.00 176.95 173.86 3ju5 s HIS 209 N -0.79 0.05 0.68 5.86 -3.43 -1.08 -0.97 115.29 115.62 3ju5 s HIS 209 Ca 0.04 -0.39 -0.10 0.00 -0.80 0.00 0.00 55.06 53.82 3ju5 s HIS 209 Cb -0.08 0.01 0.02 0.00 -1.43 0.00 0.00 32.58 31.10 3ju5 s HIS 209 CO 0.01 -0.53 1.05 0.54 -2.00 0.00 0.00 174.74 173.81 3ju5 s ASN 210 N -2.58 5.39 0.35 7.38 6.03 -0.70 -1.70 114.94 129.11 3ju5 s ASN 210 Ca 0.01 0.97 0.08 0.00 -1.03 0.00 0.00 52.86 52.89 3ju5 s ASN 210 Cb 0.03 -1.79 0.64 0.00 -3.03 0.00 0.00 41.25 37.09 3ju5 s ASN 210 CO -0.09 -1.32 1.83 0.44 -2.03 0.00 0.00 177.10 175.93 3ju5 h ASP 211 N -0.56 0.25 0.75 3.54 3.32 -1.04 -0.45 116.42 122.23 3ju5 h ASP 211 Ca -0.45 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3ju5 h ASP 211 Cb 1.26 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3ju5 h ASP 211 CO 0.63 0.50 0.00 0.29 -1.72 0.00 0.00 179.24 178.94 3ju5 n LYS 212 N -4.17 0.13 -3.54 3.56 5.02 -1.26 -4.88 118.16 113.02 3ju5 n LYS 212 Ca -0.01 0.33 -0.22 0.00 -2.02 0.00 0.00 58.31 56.39 3ju5 n LYS 212 Cb 0.35 -1.73 0.08 0.00 -0.02 0.00 0.00 35.03 33.71 3ju5 n LYS 212 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3ju5 n LYS 213 N -1.98 -7.54 -0.13 1.97 5.02 -0.18 -4.89 118.16 110.43 3ju5 n LYS 213 Ca 0.03 0.82 0.03 0.00 -2.02 0.00 0.00 58.31 57.17 3ju5 n LYS 213 Cb 0.24 -5.82 0.04 0.00 -0.02 0.00 0.00 35.03 29.47 3ju5 n LYS 213 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3ju5 n ASN 214 N -2.97 1.23 -3.69 4.39 2.04 -1.26 -4.93 115.26 110.07 3ju5 n ASN 214 Ca -0.06 -2.09 -0.11 0.00 -0.44 0.00 0.00 54.58 51.89 3ju5 n ASN 214 Cb 0.58 -0.16 -0.11 0.00 -2.53 0.00 0.00 39.78 37.56 3ju5 n ASN 214 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 3ju5 s PHE 215 N -1.09 -0.58 -0.03 -2.53 5.36 -1.26 -4.53 117.98 113.31 3ju5 s PHE 215 Ca 0.09 1.22 -0.02 0.00 -0.96 0.00 0.00 56.93 57.25 3ju5 s PHE 215 Cb 0.08 0.20 0.02 0.00 -0.34 0.00 0.00 43.02 42.98 3ju5 s PHE 215 CO 0.01 -0.35 0.08 -1.17 -1.46 0.00 0.00 175.22 172.33 3ju5 s LEU 216 N 1.74 1.42 -0.04 6.12 2.96 -0.23 -1.72 118.68 128.94 3ju5 s LEU 216 Ca -0.07 0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 3ju5 s LEU 216 Cb -0.10 0.24 0.00 0.00 0.50 0.00 0.00 46.19 46.83 3ju5 s LEU 216 CO -0.12 -0.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.01 3ju5 s VAL 217 N 0.41 1.30 -0.17 1.68 1.01 -0.14 -0.57 120.40 123.91 3ju5 s VAL 217 Ca -0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 3ju5 s VAL 217 Cb -0.04 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 3ju5 s VAL 217 CO -0.02 0.38 0.22 0.26 0.00 0.00 0.00 175.10 175.95 3ju5 s TRP 218 N 0.16 3.45 -0.20 5.22 0.51 -0.31 -0.52 118.94 127.25 3ju5 s TRP 218 Ca -0.06 0.49 -0.08 0.00 -2.12 0.00 0.00 56.10 54.33 3ju5 s TRP 218 Cb -0.12 -2.25 -0.04 0.00 -0.81 0.00 0.00 33.47 30.25 3ju5 s TRP 218 CO 0.02 0.29 0.09 0.42 -0.51 0.00 0.00 176.95 177.27 3ju5 s ILE 219 N 0.32 4.93 -1.45 2.03 1.01 0.43 -0.54 121.20 127.92 3ju5 s ILE 219 Ca 0.13 0.02 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 3ju5 s ILE 219 Cb -0.12 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.13 3ju5 s ILE 219 CO 0.02 0.42 0.93 0.59 0.00 0.00 0.00 174.94 176.90 3ju5 n ASN 220 N 3.82 -5.72 0.00 3.58 3.02 0.18 -2.75 115.26 117.39 3ju5 n ASN 220 Ca -0.16 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 3ju5 n ASN 220 Cb 0.52 -4.55 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 3ju5 n ASN 220 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3ju5 n GLU 221 N -4.58 0.00 -0.14 3.52 2.13 -1.26 -4.83 120.64 115.48 3ju5 n GLU 221 Ca -0.01 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.70 3ju5 n GLU 221 Cb 0.56 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.26 3ju5 n GLU 221 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3ju5 h GLU 222 N 0.00 0.73 -6.06 5.31 4.81 -1.96 -3.44 114.58 113.97 3ju5 h GLU 222 Ca 0.00 -0.25 -0.59 0.00 -0.13 0.00 0.00 59.36 58.39 3ju5 h GLU 222 Cb 0.00 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.21 3ju5 h GLU 222 CO 0.00 0.84 -0.64 -0.51 -0.73 0.00 0.00 179.01 177.97 3ju5 s ASP 223 N -6.28 4.14 0.29 1.04 1.01 -1.26 -4.31 116.67 111.30 3ju5 s ASP 223 Ca -0.13 -0.96 0.02 0.00 0.71 0.00 0.00 52.55 52.19 3ju5 s ASP 223 Cb 0.10 -0.54 0.59 0.00 1.01 0.00 0.00 42.92 44.09 3ju5 s ASP 223 CO 0.80 -0.18 1.82 0.45 0.21 0.00 0.00 175.17 178.28 3ju5 h HIS 224 N 1.88 1.13 -4.09 4.23 3.86 -1.84 -3.28 115.15 117.04 3ju5 h HIS 224 Ca -0.43 0.03 -0.43 0.00 -1.16 0.00 0.00 60.37 58.39 3ju5 h HIS 224 Cb 1.25 -0.35 -0.28 0.00 1.06 0.00 0.00 27.41 29.09 3ju5 h HIS 224 CO 0.72 0.40 -0.79 0.95 0.86 0.00 0.00 177.93 180.07 3ju5 s THR 225 N -5.94 0.89 -0.15 2.45 -4.23 -0.25 -0.65 115.64 107.77 3ju5 s THR 225 Ca -0.12 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 3ju5 s THR 225 Cb 0.23 -0.76 -0.00 0.00 1.34 0.00 0.00 72.50 73.30 3ju5 s THR 225 CO 0.81 0.19 -0.14 -0.60 -0.54 0.00 0.00 174.62 174.33 3ju5 s ARG 226 N -0.44 3.26 -0.13 3.99 3.52 0.29 -1.81 118.95 127.64 3ju5 s ARG 226 Ca 0.03 -0.73 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 3ju5 s ARG 226 Cb -0.05 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.71 3ju5 s ARG 226 CO -0.00 0.05 -0.22 0.42 -0.81 0.00 0.00 175.30 174.74 3ju5 s ILE 227 N 0.74 1.99 -0.05 4.11 1.09 0.48 -1.16 121.20 128.40 3ju5 s ILE 227 Ca -0.06 -0.95 0.01 0.00 -1.10 0.00 0.00 60.65 58.55 3ju5 s ILE 227 Cb -0.15 -1.75 0.02 0.00 -1.06 0.00 0.00 42.46 39.51 3ju5 s ILE 227 CO 0.01 0.54 -0.05 -0.63 -0.10 0.00 0.00 174.94 174.71 3ju5 s ILE 228 N 0.70 0.63 0.18 2.92 1.01 0.27 -0.73 121.20 126.17 3ju5 s ILE 228 Ca -0.10 -0.16 0.09 0.00 0.00 0.00 0.00 60.65 60.48 3ju5 s ILE 228 Cb -0.16 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 3ju5 s ILE 228 CO 0.01 0.25 -0.11 -0.55 0.00 0.00 0.00 174.94 174.55 3ju5 s SER 229 N 1.01 4.20 0.00 3.58 0.15 0.02 -1.07 113.70 121.59 3ju5 s SER 229 Ca -0.09 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 55.97 3ju5 s SER 229 Cb -0.14 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 3ju5 s SER 229 CO -0.00 0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.55 3ju5 n GLN 231 N 0.10 0.00 0.00 5.44 10.64 -0.67 -0.88 117.38 132.01 3ju5 n GLN 231 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 3ju5 n GLN 231 Cb 0.55 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.93 3ju5 n GLN 231 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ju5 n GLY 233 N 0.00 -0.42 0.03 2.61 0.00 -0.27 -1.26 105.19 105.88 3ju5 n GLY 233 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 46.02 45.22 3ju5 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ju5 n GLY 234 N 0.00 3.60 3.84 -0.02 0.00 -1.26 -2.85 105.19 108.51 3ju5 n GLY 234 Ca 0.00 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.32 3ju5 n GLY 234 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ju5 s ASN 235 N -1.60 6.84 0.00 1.61 3.84 -1.26 -0.66 114.94 123.71 3ju5 s ASN 235 Ca 0.10 1.25 0.00 0.00 0.21 0.00 0.00 52.86 54.43 3ju5 s ASN 235 Cb 0.09 -2.36 0.00 0.00 -0.55 0.00 0.00 41.25 38.43 3ju5 s ASN 235 CO 0.01 -0.09 0.00 1.17 -2.79 0.00 0.00 177.10 175.40 3ju5 n LYS 237 N 0.10 0.00 -0.23 0.43 4.81 -1.26 -2.49 118.16 119.52 3ju5 n LYS 237 Ca 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.39 3ju5 n LYS 237 Cb 0.52 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.61 3ju5 n LYS 237 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3ju5 h GLU 238 N 0.00 0.87 -0.74 1.64 4.81 -1.96 0.06 114.58 119.26 3ju5 h GLU 238 Ca 0.00 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3ju5 h GLU 238 Cb 0.00 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.16 3ju5 h GLU 238 CO 0.00 0.62 0.49 0.28 -0.73 0.00 0.00 179.01 179.67 3ju5 h VAL 239 N 0.87 1.18 -0.25 0.32 2.07 -1.89 -2.41 116.25 116.14 3ju5 h VAL 239 Ca 0.23 -0.34 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 3ju5 h VAL 239 Cb -0.02 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 3ju5 h VAL 239 CO -0.04 0.18 -0.46 0.15 0.02 0.00 0.00 177.57 177.42 3ju5 h PHE 240 N 0.99 0.78 -0.67 1.57 3.57 -1.80 -1.74 116.94 119.64 3ju5 h PHE 240 Ca 0.28 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3ju5 h PHE 240 Cb -0.09 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3ju5 h PHE 240 CO -0.02 0.98 0.15 1.49 -2.23 0.00 0.00 178.31 178.68 3ju5 h GLU 241 N 0.51 1.07 -0.12 1.11 4.22 -0.86 -0.77 114.58 119.75 3ju5 h GLU 241 Ca 0.03 -0.26 -0.06 0.00 0.08 0.00 0.00 59.36 59.16 3ju5 h GLU 241 Cb 1.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 3ju5 h GLU 241 CO 0.09 0.96 -0.15 -0.09 -2.18 0.00 0.00 179.01 177.64 3ju5 h ARG 242 N 1.02 0.31 -0.69 1.92 2.43 -1.36 -2.25 114.38 115.75 3ju5 h ARG 242 Ca 0.21 -0.17 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 3ju5 h ARG 242 Cb 0.37 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.80 3ju5 h ARG 242 CO 0.00 0.73 -0.20 0.35 -1.51 0.00 0.00 179.97 179.35 3ju5 h PHE 243 N -0.10 -0.45 -0.01 2.20 3.57 -1.12 -1.24 116.94 119.80 3ju5 h PHE 243 Ca 0.01 0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.41 3ju5 h PHE 243 Cb 0.69 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3ju5 h PHE 243 CO 0.09 -0.31 -0.77 1.79 -2.23 0.00 0.00 178.31 176.88 3ju5 h THR 244 N -0.02 1.51 -0.32 4.41 1.35 -0.99 -0.98 112.91 117.87 3ju5 h THR 244 Ca 0.32 -2.52 -0.16 0.00 -0.55 0.00 0.00 66.41 63.50 3ju5 h THR 244 Cb 0.52 2.37 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 3ju5 h THR 244 CO -0.72 0.73 -0.43 0.03 -0.25 0.00 0.00 175.52 174.88 3ju5 h ARG 245 N 0.05 0.82 -0.05 4.72 3.08 -1.10 -0.83 114.38 121.07 3ju5 h ARG 245 Ca -0.02 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 3ju5 h ARG 245 Cb 1.35 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 3ju5 h ARG 245 CO 0.11 1.08 -0.01 0.78 -1.07 0.00 0.00 179.97 180.86 3ju5 h GLY 246 N 0.85 0.09 -0.26 0.04 0.00 -1.12 -1.68 103.07 101.01 3ju5 h GLY 246 Ca 0.05 -0.08 0.14 0.00 0.00 0.00 0.00 47.33 47.44 3ju5 h GLY 246 CO 0.10 0.07 -0.10 1.41 0.00 0.00 0.00 176.54 178.02 3ju5 h LEU 247 N -0.24 -0.48 -0.52 3.11 3.38 -1.12 -1.98 115.31 117.45 3ju5 h LEU 247 Ca 0.01 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3ju5 h LEU 247 Cb 0.38 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3ju5 h LEU 247 CO 0.00 -0.19 0.18 0.74 0.09 0.00 0.00 178.44 179.27 3ju5 h THR 248 N 0.04 1.23 0.04 0.22 2.02 -1.01 -1.75 112.91 113.70 3ju5 h THR 248 Ca 0.33 -0.74 -0.28 0.00 0.77 0.00 0.00 66.41 66.49 3ju5 h THR 248 Cb 0.53 0.73 0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3ju5 h THR 248 CO -0.64 0.28 -1.12 -0.33 0.37 0.00 0.00 175.52 174.08 3ju5 h GLU 249 N 0.71 0.68 -0.45 6.66 5.08 -1.03 -1.81 114.58 124.42 3ju5 h GLU 249 Ca 0.17 -0.78 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 3ju5 h GLU 249 Cb 0.25 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3ju5 h GLU 249 CO -0.01 1.35 0.24 0.28 -1.00 0.00 0.00 179.01 179.87 3ju5 h VAL 250 N 0.35 1.17 -0.67 3.13 2.07 -1.35 -1.14 116.25 119.81 3ju5 h VAL 250 Ca -0.15 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 66.87 3ju5 h VAL 250 Cb 1.77 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3ju5 h VAL 250 CO 0.22 0.18 0.18 -0.08 0.02 0.00 0.00 177.57 178.09 3ju5 h GLU 251 N 0.59 1.07 -0.63 1.57 4.81 -1.21 -1.77 114.58 119.01 3ju5 h GLU 251 Ca 0.16 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3ju5 h GLU 251 Cb 0.07 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3ju5 h GLU 251 CO -0.02 0.94 0.23 -0.22 -0.73 0.00 0.00 179.01 179.21 3ju5 h LYS 252 N 1.00 0.96 -0.51 1.92 3.64 -1.21 0.01 116.57 122.38 3ju5 h LYS 252 Ca 0.21 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3ju5 h LYS 252 Cb 0.34 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3ju5 h LYS 252 CO -0.00 0.83 0.23 1.25 -2.27 0.00 0.00 179.45 179.48 3ju5 h HIS 253 N 0.89 0.76 -0.44 1.91 2.76 -0.80 0.20 115.15 120.43 3ju5 h HIS 253 Ca 0.21 -0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3ju5 h HIS 253 Cb 0.25 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 3ju5 h HIS 253 CO 0.02 0.61 0.29 0.82 -1.30 0.00 0.00 177.93 178.37 3ju5 h ILE 254 N 0.68 1.11 -0.29 6.26 2.04 -0.95 -0.19 117.51 126.17 3ju5 h ILE 254 Ca 0.17 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 3ju5 h ILE 254 Cb 0.16 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3ju5 h ILE 254 CO -0.02 0.11 0.07 0.50 0.00 0.00 0.00 178.15 178.81 3ju5 h LYS 255 N 0.59 0.47 -0.61 2.37 3.64 -0.81 -0.68 116.57 121.54 3ju5 h LYS 255 Ca 0.16 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3ju5 h LYS 255 Cb -0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3ju5 h LYS 255 CO -0.03 0.56 0.26 -0.44 -2.27 0.00 0.00 179.45 177.52 3ju5 h ASP 256 N 0.31 0.81 0.72 4.20 3.32 -0.30 -0.05 116.42 125.44 3ju5 h ASP 256 Ca 0.09 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3ju5 h ASP 256 Cb 0.30 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3ju5 h ASP 256 CO 0.00 0.71 -1.29 0.29 -1.72 0.00 0.00 179.24 177.23 3ju5 n LYS 257 N -4.33 0.62 0.00 3.56 4.76 -0.11 -4.63 118.16 118.03 3ju5 n LYS 257 Ca 0.05 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3ju5 n LYS 257 Cb 0.16 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3ju5 n LYS 257 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3ju5 n THR 258 N -2.60 0.00 -0.86 -0.18 -2.24 -0.27 -5.01 114.28 103.12 3ju5 n THR 258 Ca -0.02 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3ju5 n THR 258 Cb 0.59 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3ju5 n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ju5 n GLY 259 N 0.79 0.66 3.91 3.38 0.00 -0.03 -5.00 105.19 108.89 3ju5 n GLY 259 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3ju5 n GLY 259 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ju5 s LYS 260 N -0.34 3.33 0.28 1.61 1.02 -1.25 -4.91 119.74 119.48 3ju5 s LYS 260 Ca 0.00 0.14 -0.00 0.00 0.02 0.00 0.00 55.97 56.13 3ju5 s LYS 260 Cb 0.00 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.96 3ju5 s LYS 260 CO 0.00 -0.39 0.30 -1.83 -0.92 0.00 0.00 175.35 172.51 3ju5 s GLU 261 N -4.84 1.59 0.00 1.68 -1.05 -1.26 -3.23 118.70 111.58 3ju5 s GLU 261 Ca 0.50 -1.74 0.00 0.00 -0.15 0.00 0.00 54.97 53.58 3ju5 s GLU 261 Cb -0.10 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 3ju5 s GLU 261 CO 0.45 -0.60 0.00 1.19 0.95 0.00 0.00 175.26 177.25 3ju5 n PHE 262 N -0.46 0.00 0.00 4.83 3.72 -1.26 -0.70 117.46 123.58 3ju5 n PHE 262 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3ju5 n PHE 262 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 3ju5 n PHE 262 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3ju5 n LYS 264 N 0.00 0.00 -4.11 -1.08 4.81 -1.26 -4.53 118.16 111.99 3ju5 n LYS 264 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 3ju5 n LYS 264 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 3ju5 n LYS 264 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3ju5 s ASN 265 N 0.00 0.14 0.32 3.14 2.20 -0.01 -4.93 114.94 115.79 3ju5 s ASN 265 Ca 0.00 -1.20 0.02 0.00 -0.94 0.00 0.00 52.86 50.74 3ju5 s ASN 265 Cb 0.00 0.50 0.55 0.00 -2.00 0.00 0.00 41.25 40.30 3ju5 s ASN 265 CO 0.00 -1.01 1.89 -0.78 -2.94 0.00 0.00 177.10 174.26 3ju5 h ASP 266 N 2.41 0.62 0.04 3.54 3.58 -1.91 -1.68 116.42 123.02 3ju5 h ASP 266 Ca -0.31 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 56.90 3ju5 h ASP 266 Cb 1.25 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 42.15 3ju5 h ASP 266 CO 0.44 0.61 -0.62 -0.74 -2.88 0.00 0.00 179.24 176.04 3ju5 h HIS 267 N 0.65 0.56 -0.01 0.28 2.76 -1.89 -2.48 115.15 115.01 3ju5 h HIS 267 Ca 0.15 -0.33 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 3ju5 h HIS 267 Cb 0.24 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.14 3ju5 h HIS 267 CO 0.01 1.17 -0.11 1.28 -1.30 0.00 0.00 177.93 178.98 3ju5 n LEU 268 N -4.22 1.87 0.00 0.26 4.77 -1.23 -2.89 117.00 115.56 3ju5 n LEU 268 Ca -0.11 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3ju5 n LEU 268 Cb 0.70 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.79 3ju5 n LEU 268 CO 0.46 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 3ju5 n GLY 269 N 0.88 2.82 3.72 -0.72 0.00 -0.63 0.25 105.19 111.52 3ju5 n GLY 269 Ca 0.07 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3ju5 n GLY 269 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ju5 s PHE 270 N 0.00 3.23 -0.25 1.61 0.08 -0.59 -0.83 117.98 121.23 3ju5 s PHE 270 Ca 0.00 1.04 -0.17 0.00 0.12 0.00 0.00 56.93 57.92 3ju5 s PHE 270 Cb 0.00 -3.67 -0.03 0.00 -0.57 0.00 0.00 43.02 38.75 3ju5 s PHE 270 CO 0.00 -2.27 0.45 0.08 -0.10 0.00 0.00 175.22 173.38 3ju5 s VAL 271 N 0.71 5.13 0.29 -0.44 1.01 -1.26 -2.82 120.40 123.02 3ju5 s VAL 271 Ca 0.62 0.75 0.09 0.00 0.00 0.00 0.00 61.98 63.44 3ju5 s VAL 271 Cb -0.37 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 3ju5 s VAL 271 CO 0.34 0.14 -0.12 -0.76 0.00 0.00 0.00 175.10 174.70 3ju5 s LEU 272 N 2.04 2.60 0.10 3.92 1.02 -1.26 -4.31 118.68 122.79 3ju5 s LEU 272 Ca 0.19 -1.12 -0.16 0.00 0.02 0.00 0.00 54.13 53.05 3ju5 s LEU 272 Cb -0.16 -0.88 -0.06 0.00 0.02 0.00 0.00 46.19 45.11 3ju5 s LEU 272 CO 0.09 -0.17 1.50 0.74 0.02 0.00 0.00 176.35 178.53 3ju5 h THR 273 N 2.24 1.28 -3.32 5.49 2.02 -1.87 -3.42 112.91 115.33 3ju5 h THR 273 Ca -0.40 -1.13 -0.58 0.00 0.77 0.00 0.00 66.41 65.07 3ju5 h THR 273 Cb 1.24 1.37 -0.08 0.00 -1.74 0.00 0.00 68.15 68.95 3ju5 h THR 273 CO 0.66 0.36 -0.13 0.00 0.37 0.00 0.00 175.52 176.78 3ju5 h PRO 275 N 6.61 0.00 0.00 0.00 0.11 -1.81 -1.14 132.00 135.78 3ju5 h PRO 275 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ju5 h PRO 275 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ju5 h PRO 275 CO 0.75 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.20 3ju5 h SER 276 N 0.00 0.00 -0.53 -2.05 4.64 -1.94 -3.03 113.55 110.64 3ju5 h SER 276 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ju5 h SER 276 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3ju5 h SER 276 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 3ju5 n ASN 277 N -2.83 3.47 -4.45 4.97 5.03 -0.43 -4.92 115.26 116.10 3ju5 n ASN 277 Ca 0.01 -1.98 -0.29 0.00 0.87 0.00 0.00 54.58 53.19 3ju5 n ASN 277 Cb 0.26 -0.35 0.21 0.00 -1.02 0.00 0.00 39.78 38.87 3ju5 n ASN 277 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3ju5 s LEU 278 N -1.05 1.17 0.00 3.41 1.43 -1.15 -2.45 118.68 120.04 3ju5 s LEU 278 Ca 0.37 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.56 3ju5 s LEU 278 Cb 0.20 -3.10 0.00 0.00 0.03 0.00 0.00 46.19 43.32 3ju5 s LEU 278 CO 0.26 -3.59 0.00 0.61 0.23 0.00 0.00 176.35 173.86 3ju5 n GLY 279 N -0.72 1.35 0.12 -3.19 0.00 0.14 -3.38 105.19 99.51 3ju5 n GLY 279 Ca 0.06 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3ju5 n GLY 279 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3ju5 h THR 280 N 0.00 0.17 -0.96 2.61 1.35 -1.44 -1.56 112.91 113.08 3ju5 h THR 280 Ca 0.00 -1.32 -0.25 0.00 -0.55 0.00 0.00 66.41 64.29 3ju5 h THR 280 Cb 0.00 1.72 -0.10 0.00 -1.73 0.00 0.00 68.15 68.04 3ju5 h THR 280 CO 0.00 0.10 -0.23 0.61 -0.25 0.00 0.00 175.52 175.75 3ju5 n GLY 281 N 1.24 1.17 3.70 5.82 0.00 -1.03 -4.70 105.19 111.40 3ju5 n GLY 281 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3ju5 n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ju5 s VAL 282 N -1.99 5.15 -0.28 1.61 1.01 -1.26 -4.02 120.40 120.61 3ju5 s VAL 282 Ca 0.00 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.98 3ju5 s VAL 282 Cb 0.00 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.57 3ju5 s VAL 282 CO 0.00 0.27 -0.03 -0.60 0.00 0.00 0.00 175.10 174.75 3ju5 s ARG 283 N 0.95 2.53 -0.17 2.72 3.52 -0.10 -4.86 118.95 123.53 3ju5 s ARG 283 Ca 0.27 -1.19 -0.05 0.00 -0.13 0.00 0.00 55.73 54.63 3ju5 s ARG 283 Cb -0.15 -3.10 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 3ju5 s ARG 283 CO 0.11 -0.55 0.01 0.00 -0.81 0.00 0.00 175.30 174.05 3ju5 s SER 285 N 0.50 -0.03 0.13 0.00 1.04 -0.01 -2.32 113.70 113.00 3ju5 s SER 285 Ca -0.01 -0.34 0.09 0.00 0.48 0.00 0.00 55.95 56.18 3ju5 s SER 285 Cb -0.14 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 3ju5 s SER 285 CO 0.02 -0.62 -0.22 0.68 0.98 0.00 0.00 173.24 174.08 3ju5 s VAL 286 N -2.81 1.92 -0.24 5.02 -7.23 -0.40 -1.14 120.40 115.52 3ju5 s VAL 286 Ca -0.03 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 3ju5 s VAL 286 Cb 0.00 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3ju5 s VAL 286 CO -0.05 -0.06 0.31 -1.00 -0.31 0.00 0.00 175.10 173.99 3ju5 s HIS 287 N -1.30 3.31 -0.04 2.82 3.76 -0.54 -0.70 115.29 122.61 3ju5 s HIS 287 Ca 0.11 0.41 0.02 0.00 -0.15 0.00 0.00 55.06 55.45 3ju5 s HIS 287 Cb -0.09 -2.46 0.01 0.00 1.11 0.00 0.00 32.58 31.15 3ju5 s HIS 287 CO 0.05 -0.06 -0.09 0.00 -0.85 0.00 0.00 174.74 173.79 3ju5 s ALA 288 N 1.50 0.91 -0.77 -1.40 0.00 0.31 -0.53 121.76 121.77 3ju5 s ALA 288 Ca 0.14 -0.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.56 3ju5 s ALA 288 Cb -0.15 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.63 3ju5 s ALA 288 CO 0.08 0.11 1.22 0.15 0.00 0.00 0.00 175.76 177.32 3ju5 s LYS 289 N 0.44 3.25 -0.53 0.00 1.02 -0.06 -1.01 119.74 122.85 3ju5 s LYS 289 Ca -0.07 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.39 3ju5 s LYS 289 Cb -0.11 -4.41 0.29 0.00 -0.52 0.00 0.00 37.83 33.07 3ju5 s LYS 289 CO 0.01 -2.06 0.74 1.28 -0.92 0.00 0.00 175.35 174.41 3ju5 n LEU 290 N 8.75 2.73 0.01 3.17 4.77 0.21 -4.87 117.00 131.77 3ju5 n LEU 290 Ca 0.07 -5.28 -0.03 0.00 -0.03 0.00 0.00 56.01 50.74 3ju5 n LEU 290 Cb 0.48 -0.15 0.21 0.00 -2.33 0.00 0.00 43.42 41.63 3ju5 n LEU 290 CO 0.67 2.17 0.76 1.55 -1.33 0.00 0.00 177.39 181.21 3ju5 h PRO 291 N 3.68 0.49 -1.32 3.23 0.13 -1.85 -1.19 132.00 135.17 3ju5 h PRO 291 Ca 0.14 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3ju5 h PRO 291 Cb 0.71 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3ju5 h PRO 291 CO 0.70 0.69 0.00 0.72 -0.23 0.00 0.00 178.00 179.88 3ju5 n HIS 292 N -4.14 0.00 0.00 1.56 8.25 -1.26 -3.31 115.22 116.32 3ju5 n HIS 292 Ca -0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 3ju5 n HIS 292 Cb 0.39 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3ju5 n HIS 292 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ju5 n ALA 294 N 0.70 0.00 -0.01 -1.41 0.00 -0.45 -3.26 120.51 116.09 3ju5 n ALA 294 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ju5 n ALA 294 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 3ju5 n ALA 294 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ju5 n LYS 295 N 0.25 -0.28 -3.61 0.00 5.02 -1.21 -4.98 118.16 113.35 3ju5 n LYS 295 Ca 0.00 -0.68 -0.36 0.00 -2.02 0.00 0.00 58.31 55.25 3ju5 n LYS 295 Cb 0.00 -1.00 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 3ju5 n LYS 295 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ju5 s ASP 296 N -0.18 6.28 0.35 4.39 -1.08 -1.20 -4.97 116.67 120.26 3ju5 s ASP 296 Ca 0.00 0.32 0.27 0.00 -0.52 0.00 0.00 52.55 52.62 3ju5 s ASP 296 Cb 0.00 -2.14 1.09 0.00 -1.46 0.00 0.00 42.92 40.41 3ju5 s ASP 296 CO 0.00 0.10 1.80 0.50 0.52 0.00 0.00 175.17 178.09 3ju5 h LYS 297 N 6.97 0.00 0.00 4.34 1.63 -1.95 -2.55 116.57 125.02 3ju5 h LYS 297 Ca -0.40 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 3ju5 h LYS 297 Cb 1.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3ju5 h LYS 297 CO 0.73 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 176.73 3ju5 h ARG 298 N 0.00 0.00 -0.81 1.90 3.08 -2.02 -3.37 114.38 113.16 3ju5 h ARG 298 Ca 0.00 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 3ju5 h ARG 298 Cb 0.44 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.33 3ju5 h ARG 298 CO 0.00 0.00 -0.21 0.35 -1.07 0.00 0.00 179.97 179.04 3ju5 h PHE 299 N 0.00 -0.44 0.04 3.04 3.57 -1.88 0.13 116.94 121.40 3ju5 h PHE 299 Ca 0.00 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.59 3ju5 h PHE 299 Cb 0.51 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3ju5 h PHE 299 CO 0.00 -0.35 -0.11 1.49 -2.23 0.00 0.00 178.31 177.11 3ju5 h GLU 300 N -0.00 -0.20 -0.10 1.11 4.22 -1.84 0.22 114.58 117.99 3ju5 h GLU 300 Ca 0.39 0.01 -0.15 0.00 0.08 0.00 0.00 59.36 59.69 3ju5 h GLU 300 Cb 0.59 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3ju5 h GLU 300 CO -0.84 -0.13 -0.60 0.93 -2.18 0.00 0.00 179.01 176.20 3ju5 h GLU 301 N -0.20 0.34 -0.19 1.92 5.08 -1.37 -1.52 114.58 118.63 3ju5 h GLU 301 Ca 0.03 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3ju5 h GLU 301 Cb 0.23 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ju5 h GLU 301 CO -0.08 0.84 0.09 0.82 -1.00 0.00 0.00 179.01 179.68 3ju5 h ILE 302 N 0.25 1.13 -0.42 3.13 2.04 -0.48 -0.24 117.51 122.93 3ju5 h ILE 302 Ca -0.00 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.55 3ju5 h ILE 302 Cb 1.11 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 3ju5 h ILE 302 CO 0.10 0.13 0.02 0.00 0.00 0.00 0.00 178.15 178.40 3ju5 h THR 304 N 0.13 1.26 0.00 0.00 2.02 -0.87 -0.11 112.91 115.35 3ju5 h THR 304 Ca 0.21 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.31 3ju5 h THR 304 Cb 0.29 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3ju5 h THR 304 CO -0.33 0.40 0.00 0.29 0.37 0.00 0.00 175.52 176.25 3ju5 n LYS 305 N -4.22 0.00 -2.83 6.66 4.01 -0.14 -4.27 118.16 117.37 3ju5 n LYS 305 Ca 0.03 0.00 -0.00 0.00 -0.51 0.00 0.00 58.31 57.83 3ju5 n LYS 305 Cb 0.31 -1.46 0.05 0.00 -0.51 0.00 0.00 35.03 33.43 3ju5 n LYS 305 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3ju5 n ARG 307 N 1.52 1.71 -4.41 1.97 5.12 -1.10 -5.04 116.66 116.42 3ju5 n ARG 307 Ca 0.00 -3.49 -0.25 0.00 -1.93 0.00 0.00 57.85 52.18 3ju5 n ARG 307 Cb 0.00 -1.59 -0.11 0.00 -1.16 0.00 0.00 32.46 29.60 3ju5 n ARG 307 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3ju5 s LEU 308 N -3.79 2.47 0.12 0.55 1.43 -0.07 -1.34 118.68 118.05 3ju5 s LEU 308 Ca 0.27 -0.90 0.10 0.00 -1.03 0.00 0.00 54.13 52.57 3ju5 s LEU 308 Cb 0.33 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 3ju5 s LEU 308 CO -0.04 0.06 -0.26 -1.58 0.23 0.00 0.00 176.35 174.77 3ju5 s GLN 309 N -2.89 1.36 0.11 1.70 0.74 0.56 -3.39 119.66 117.86 3ju5 s GLN 309 Ca 0.22 -1.29 0.09 0.00 0.05 0.00 0.00 55.36 54.42 3ju5 s GLN 309 Cb -0.07 -1.79 -0.04 0.00 1.10 0.00 0.00 33.01 32.22 3ju5 s GLN 309 CO 0.10 0.43 -0.21 -1.59 -0.55 0.00 0.00 175.29 173.46 3ju5 s LYS 310 N -1.97 1.17 -0.13 1.67 0.00 -1.26 -1.33 119.74 117.89 3ju5 s LYS 310 Ca 0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 55.97 54.85 3ju5 s LYS 310 Cb -0.10 -1.45 0.06 0.00 0.00 0.00 0.00 37.83 36.34 3ju5 s LYS 310 CO 0.05 0.33 0.21 0.50 0.00 0.00 0.00 175.35 176.45 3ju5 s ARG 311 N -1.99 0.11 0.90 1.78 3.52 -0.70 -4.99 118.95 117.58 3ju5 s ARG 311 Ca 0.08 0.52 -0.14 0.00 -0.13 0.00 0.00 55.73 56.06 3ju5 s ARG 311 Cb -0.10 -0.46 0.15 0.00 -1.56 0.00 0.00 34.95 32.99 3ju5 s ARG 311 CO 0.05 -0.40 1.26 0.20 -0.81 0.00 0.00 175.30 175.60 3ju5 s GLY 312 N 2.34 1.70 0.00 8.12 0.00 -1.26 -0.61 107.32 117.61 3ju5 s GLY 312 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3ju5 s GLY 312 CO -0.08 -0.31 0.00 0.61 0.00 0.00 0.00 173.10 173.31 3ju5 n GLY 322 N -3.54 1.79 1.68 0.20 0.00 -1.26 -4.79 105.19 99.27 3ju5 n GLY 322 Ca 0.12 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3ju5 n GLY 322 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ju5 n GLY 323 N 5.00 0.71 3.75 -0.02 0.00 -1.26 -4.76 105.19 108.61 3ju5 n GLY 323 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3ju5 n GLY 323 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ju5 s VAL 324 N -2.44 5.30 0.01 1.61 1.01 -1.26 0.65 120.40 125.27 3ju5 s VAL 324 Ca 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 3ju5 s VAL 324 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 3ju5 s VAL 324 CO 0.00 0.43 -0.00 -0.31 0.00 0.00 0.00 175.10 175.22 3ju5 s TYR 325 N 0.15 0.15 -0.29 5.22 2.02 -0.18 -4.57 117.35 119.85 3ju5 s TYR 325 Ca 0.17 -0.31 -0.17 0.00 -0.37 0.00 0.00 57.07 56.39 3ju5 s TYR 325 Cb -0.13 -0.12 -0.02 0.00 -0.40 0.00 0.00 41.96 41.29 3ju5 s TYR 325 CO 0.05 -0.14 0.46 0.34 -1.57 0.00 0.00 175.55 174.68 3ju5 s ASP 326 N -0.98 6.33 -0.10 2.29 2.15 0.22 -0.53 116.67 126.04 3ju5 s ASP 326 Ca -0.11 0.27 0.01 0.00 0.43 0.00 0.00 52.55 53.16 3ju5 s ASP 326 Cb -0.07 -2.25 -0.02 0.00 -0.30 0.00 0.00 42.92 40.28 3ju5 s ASP 326 CO -0.00 -0.30 -0.13 -0.63 -0.17 0.00 0.00 175.17 173.94 3ju5 s ILE 327 N 2.23 3.15 0.16 4.11 -1.09 0.13 -1.72 121.20 128.16 3ju5 s ILE 327 Ca 0.18 -0.65 -0.09 0.00 -2.23 0.00 0.00 60.65 57.85 3ju5 s ILE 327 Cb -0.16 -2.29 -0.01 0.00 -1.58 0.00 0.00 42.46 38.42 3ju5 s ILE 327 CO 0.11 0.55 0.29 -0.94 -1.23 0.00 0.00 174.94 173.71 3ju5 s SER 328 N -0.08 0.03 0.29 3.58 1.04 -0.44 -1.28 113.70 116.85 3ju5 s SER 328 Ca -0.02 -0.82 -0.29 0.00 0.48 0.00 0.00 55.95 55.30 3ju5 s SER 328 Cb -0.14 0.43 -0.10 0.00 0.10 0.00 0.00 66.02 66.32 3ju5 s SER 328 CO 0.04 -0.88 1.30 0.54 0.98 0.00 0.00 173.24 175.21 3ju5 s ASN 329 N -2.95 6.84 0.09 7.02 4.22 -0.98 -0.32 114.94 128.85 3ju5 s ASN 329 Ca 0.15 2.59 -0.13 0.00 -2.14 0.00 0.00 52.86 53.33 3ju5 s ASN 329 Cb 0.03 -2.64 -0.19 0.00 1.28 0.00 0.00 41.25 39.73 3ju5 s ASN 329 CO -0.02 -0.51 1.24 0.25 -2.04 0.00 0.00 177.10 176.03 3ju5 h LEU 330 N 3.95 0.90-10.03 3.54 5.85 -1.50 -3.43 115.31 114.59 3ju5 h LEU 330 Ca -0.48 -0.67 -0.54 0.00 0.84 0.00 0.00 57.88 57.03 3ju5 h LEU 330 Cb 1.22 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3ju5 h LEU 330 CO 0.69 1.48 -0.20 -1.81 -0.34 0.00 0.00 178.44 178.25 3ju5 s ASP 331 N -7.22 6.48 0.00 1.25 1.01 -1.26 -4.98 116.67 111.96 3ju5 s ASP 331 Ca -0.10 0.68 0.00 0.00 0.71 0.00 0.00 52.55 53.85 3ju5 s ASP 331 Cb 0.08 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.88 3ju5 s ASP 331 CO 0.91 -0.09 0.00 0.54 0.21 0.00 0.00 175.17 176.74 3ju5 n ARG 332 N -0.49 0.00 -4.93 8.23 5.12 -1.26 -4.88 116.66 118.44 3ju5 n ARG 332 Ca -0.02 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.58 3ju5 n ARG 332 Cb 0.53 -0.66 -0.14 0.00 -1.16 0.00 0.00 32.46 31.03 3ju5 n ARG 332 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3ju5 s LEU 333 N -3.72 2.59 0.00 0.55 0.20 -1.26 -1.26 118.68 115.79 3ju5 s LEU 333 Ca 0.00 -0.30 0.00 0.00 0.69 0.00 0.00 54.13 54.52 3ju5 s LEU 333 Cb 0.00 -1.54 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 3ju5 s LEU 333 CO 0.00 0.26 0.00 0.61 -0.29 0.00 0.00 176.35 176.93 3ju5 n GLY 334 N 2.85 0.82 3.10 7.98 0.00 -1.26 -4.99 105.19 113.69 3ju5 n GLY 334 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3ju5 n GLY 334 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ju5 s SER 335 N -3.01 0.82 0.72 1.61 1.04 -1.26 -4.88 113.70 108.75 3ju5 s SER 335 Ca 0.00 -0.79 -0.08 0.00 0.48 0.00 0.00 55.95 55.56 3ju5 s SER 335 Cb 0.00 0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.28 3ju5 s SER 335 CO 0.00 -0.38 1.05 -0.94 0.98 0.00 0.00 173.24 173.95 3ju5 s SER 336 N -2.35 4.79 0.17 7.02 1.04 -1.25 -4.69 113.70 118.43 3ju5 s SER 336 Ca 0.00 0.55 -0.19 0.00 0.48 0.00 0.00 55.95 56.80 3ju5 s SER 336 Cb -0.01 -1.19 0.09 0.00 0.10 0.00 0.00 66.02 65.02 3ju5 s SER 336 CO -0.04 -1.64 1.64 -0.33 0.98 0.00 0.00 173.24 173.85 3ju5 h GLU 337 N -0.69 -0.11 -0.43 4.02 3.07 -1.83 -0.44 114.58 118.18 3ju5 h GLU 337 Ca -0.45 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.49 3ju5 h GLU 337 Cb 1.32 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 29.19 3ju5 h GLU 337 CO 0.62 -0.07 0.09 0.28 -1.40 0.00 0.00 179.01 178.53 3ju5 h VAL 338 N -0.11 0.78 -0.47 3.13 2.07 -1.84 -0.61 116.25 119.20 3ju5 h VAL 338 Ca 0.19 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3ju5 h VAL 338 Cb 0.41 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3ju5 h VAL 338 CO -0.46 0.04 0.26 -0.33 0.02 0.00 0.00 177.57 177.10 3ju5 h GLU 339 N 0.22 0.66 -0.34 1.57 5.08 -1.81 -0.67 114.58 119.28 3ju5 h GLU 339 Ca 0.21 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3ju5 h GLU 339 Cb 0.25 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3ju5 h GLU 339 CO -0.27 0.52 -0.04 1.96 -1.00 0.00 0.00 179.01 180.18 3ju5 h GLN 340 N 0.62 0.63 -0.46 2.33 4.20 -0.77 -0.77 115.11 120.90 3ju5 h GLN 340 Ca 0.17 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3ju5 h GLN 340 Cb 0.05 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3ju5 h GLN 340 CO -0.03 0.78 0.13 0.28 -0.67 0.00 0.00 178.83 179.32 3ju5 h VAL 341 N 0.43 1.23 -0.40 -0.54 2.07 -1.10 -2.33 116.25 115.61 3ju5 h VAL 341 Ca 0.09 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3ju5 h VAL 341 Cb 0.52 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3ju5 h VAL 341 CO 0.03 0.28 0.26 0.78 0.02 0.00 0.00 177.57 178.94 3ju5 h ASN 342 N 0.61 0.45 -0.26 0.57 2.35 -1.00 -1.04 115.58 117.26 3ju5 h ASN 342 Ca 0.15 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3ju5 h ASN 342 Cb 0.30 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 3ju5 h ASN 342 CO -0.00 0.32 0.13 0.00 -1.65 0.00 0.00 177.43 176.23 3ju5 h VAL 344 N 0.30 0.89 0.44 0.00 2.07 -0.90 -0.60 116.25 118.45 3ju5 h VAL 344 Ca 0.09 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3ju5 h VAL 344 Cb 0.12 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3ju5 h VAL 344 CO -0.01 0.02 -0.33 0.40 0.02 0.00 0.00 177.57 177.67 3ju5 h ILE 345 N -0.22 0.33 -0.35 4.57 2.04 -0.97 -1.38 117.51 121.53 3ju5 h ILE 345 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 3ju5 h ILE 345 Cb 0.17 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 3ju5 h ILE 345 CO 0.03 0.00 0.07 0.11 0.00 0.00 0.00 178.15 178.36 3ju5 h LYS 346 N -0.75 0.19 -0.08 2.37 1.57 -0.80 -1.78 116.57 117.28 3ju5 h LYS 346 Ca -0.04 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3ju5 h LYS 346 Cb 0.64 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3ju5 h LYS 346 CO 0.01 0.13 -0.01 0.78 -0.57 0.00 0.00 179.45 179.78 3ju5 h GLY 347 N 0.20 0.07 1.61 3.86 0.00 -1.10 -2.66 103.07 105.05 3ju5 h GLY 347 Ca 0.16 0.02 -0.10 0.00 0.00 0.00 0.00 47.33 47.41 3ju5 h GLY 347 CO -0.21 -0.02 -0.28 -2.08 0.00 0.00 0.00 176.54 173.95 3ju5 h VAL 348 N 0.02 1.27 -0.57 4.60 2.07 -1.21 -1.02 116.25 121.40 3ju5 h VAL 348 Ca 0.04 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.34 3ju5 h VAL 348 Cb 0.05 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3ju5 h VAL 348 CO -0.07 0.41 0.21 0.11 0.02 0.00 0.00 177.57 178.24 3ju5 h LYS 349 N 0.39 0.37 -0.43 1.57 1.57 -1.24 0.14 116.57 118.93 3ju5 h LYS 349 Ca 0.05 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3ju5 h LYS 349 Cb 0.69 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3ju5 h LYS 349 CO 0.05 0.25 0.11 0.28 -0.57 0.00 0.00 179.45 179.57 3ju5 h VAL 350 N 0.39 1.23 -0.49 0.50 2.07 -1.06 -0.87 116.25 118.02 3ju5 h VAL 350 Ca 0.28 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 67.04 3ju5 h VAL 350 Cb 0.33 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3ju5 h VAL 350 CO -0.29 0.28 0.32 -0.07 0.02 0.00 0.00 177.57 177.84 3ju5 h LEU 351 N 0.56 0.45 -0.15 2.57 3.38 -0.54 -2.00 115.31 119.58 3ju5 h LEU 351 Ca 0.14 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 3ju5 h LEU 351 Cb 0.31 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ju5 h LEU 351 CO 0.00 0.31 -0.78 0.40 0.09 0.00 0.00 178.44 178.46 3ju5 h ILE 352 N 0.52 1.28 0.00 1.22 2.04 -0.32 0.43 117.51 122.68 3ju5 h ILE 352 Ca 0.20 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 64.09 3ju5 h ILE 352 Cb 0.15 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 3ju5 h ILE 352 CO -0.05 0.63 0.00 -0.62 0.00 0.00 0.00 178.15 178.10 3ju5 n GLU 353 N -3.95 0.10 0.00 2.37 1.02 -0.37 -1.60 120.64 118.22 3ju5 n GLU 353 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3ju5 n GLU 353 Cb 0.75 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 3ju5 n GLU 353 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3ju5 n GLU 355 N 0.61 0.00 0.14 3.49 4.07 0.14 -2.36 120.64 126.73 3ju5 n GLU 355 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 3ju5 n GLU 355 Cb 0.03 0.00 0.36 0.00 -0.06 0.00 0.00 31.44 31.78 3ju5 n GLU 355 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3ju5 h LYS 356 N 0.00 0.17 -0.14 5.31 1.57 -1.57 -0.35 116.57 121.56 3ju5 h LYS 356 Ca 0.00 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 3ju5 h LYS 356 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3ju5 h LYS 356 CO 0.00 0.40 -0.43 0.87 -0.57 0.00 0.00 179.45 179.73 3ju5 h LYS 357 N 0.16 0.54 -0.15 3.15 1.57 -1.74 -2.75 116.57 117.35 3ju5 h LYS 357 Ca 0.03 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 3ju5 h LYS 357 Cb 0.51 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3ju5 h LYS 357 CO 0.04 1.01 0.06 -0.07 -0.57 0.00 0.00 179.45 179.92 3ju5 h LEU 358 N 0.17 0.18 -1.18 2.94 3.38 -1.62 -0.50 115.31 118.66 3ju5 h LEU 358 Ca -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ju5 h LEU 358 Cb 1.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3ju5 h LEU 358 CO 0.09 0.16 0.17 -0.33 0.09 0.00 0.00 178.44 178.63 3ju5 h GLU 359 N 0.20 0.74 -0.35 1.13 5.08 -0.85 -0.70 114.58 119.83 3ju5 h GLU 359 Ca 0.05 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ju5 h GLU 359 Cb 0.04 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3ju5 h GLU 359 CO -0.01 0.64 0.00 1.63 -1.00 0.00 0.00 179.01 180.27 3ju5 n LYS 360 N -4.32 1.62 -1.89 2.33 5.02 -0.33 -4.91 118.16 115.68 3ju5 n LYS 360 Ca 0.04 -0.79 -0.19 0.00 -2.02 0.00 0.00 58.31 55.34 3ju5 n LYS 360 Cb 0.18 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 3ju5 n LYS 360 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ju5 n GLY 361 N 0.70 0.94 3.98 0.72 0.00 -0.27 -4.99 105.19 106.27 3ju5 n GLY 361 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3ju5 n GLY 361 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ju5 s GLU 362 N -4.19 2.42 0.18 1.61 2.02 -0.41 -4.99 118.70 115.33 3ju5 s GLU 362 Ca 0.00 -0.90 -0.21 0.00 0.02 0.00 0.00 54.97 53.88 3ju5 s GLU 362 Cb 0.00 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.66 3ju5 s GLU 362 CO 0.00 -0.81 0.71 0.45 0.02 0.00 0.00 175.26 175.64 3ju5 s SER 363 N -4.48 7.17 -0.18 -0.19 0.15 -1.26 -4.18 113.70 110.73 3ju5 s SER 363 Ca 0.59 1.47 0.16 0.00 0.70 0.00 0.00 55.95 58.87 3ju5 s SER 363 Cb -0.09 -2.43 0.56 0.00 -1.71 0.00 0.00 66.02 62.34 3ju5 s SER 363 CO 0.39 0.13 1.45 2.30 1.20 0.00 0.00 173.24 178.71 3ju5 n ILE 364 N 1.17 2.30 0.30 6.45 -5.35 -1.26 -4.72 119.36 118.26 3ju5 n ILE 364 Ca -0.05 -1.81 0.17 0.00 -0.27 0.00 0.00 62.75 60.79 3ju5 n ILE 364 Cb 0.50 -0.24 0.93 0.00 -1.74 0.00 0.00 39.64 39.10 3ju5 n ILE 364 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3ju5 h ASP 365 N 2.04 0.00 -0.00 7.28 3.32 -1.97 -1.98 116.42 125.10 3ju5 h ASP 365 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ju5 h ASP 365 Cb 1.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.03 3ju5 h ASP 365 CO 0.24 0.03 -0.36 -0.67 -1.72 0.00 0.00 179.24 176.77 3ju5 n ASP 366 N -3.54 2.15 -0.00 6.45 2.03 -1.26 -3.60 116.55 118.78 3ju5 n ASP 366 Ca -0.02 -1.57 0.08 0.00 0.52 0.00 0.00 54.79 53.79 3ju5 n ASP 366 Cb 0.14 0.35 -0.11 0.00 -0.72 0.00 0.00 41.12 40.78 3ju5 n ASP 366 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3ju5 n LEU 367 N 0.22 0.41 -4.69 -2.67 4.77 -0.77 -4.98 117.00 109.29 3ju5 n LEU 367 Ca 0.11 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.39 3ju5 n LEU 367 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3ju5 n LEU 367 CO 0.25 0.10 1.23 -0.69 -1.33 0.00 0.00 177.39 176.95 3ju5 s VAL 368 N -2.79 3.29 0.43 4.08 1.01 -1.08 -4.94 120.40 120.40 3ju5 s VAL 368 Ca 0.01 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.47 3ju5 s VAL 368 Cb 0.11 -3.48 -0.09 0.00 0.00 0.00 0.00 36.38 32.92 3ju5 s VAL 368 CO 0.67 0.01 1.40 -0.81 0.00 0.00 0.00 175.10 176.36 3ju5 n PRO 369 N 5.31 2.25 0.00 2.72 -0.04 -1.26 -5.07 135.00 138.91 3ju5 n PRO 369 Ca 0.14 0.80 0.14 0.00 -0.04 0.00 0.00 63.50 64.54 3ju5 n PRO 369 Cb 0.42 -2.57 0.57 0.00 -0.04 0.00 0.00 33.50 31.88 3ju5 n PRO 369 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09