#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yj9 s SER 2 N 0.00 5.74 0.16 8.00 1.04 -1.26 -5.02 113.70 122.37 1yj9 s SER 2 Ca 0.00 -0.27 -0.19 0.00 0.48 0.00 0.00 55.95 55.97 1yj9 s SER 2 Cb 0.00 -1.22 0.07 0.00 0.10 0.00 0.00 66.02 64.98 1yj9 s SER 2 CO 0.00 -0.34 1.66 0.50 0.98 0.00 0.00 173.24 176.04 1yj9 h LYS 3 N 1.08 -0.08 -0.89 4.02 3.64 -2.07 -1.46 116.57 120.81 1yj9 h LYS 3 Ca -0.46 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1yj9 h LYS 3 Cb 1.25 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.99 1yj9 h LYS 3 CO 0.56 -0.05 0.48 0.87 -2.27 0.00 0.00 179.45 179.04 1yj9 h LYS 4 N -0.08 0.63 0.00 1.90 1.57 -2.02 -1.53 116.57 117.04 1yj9 h LYS 4 Ca 0.17 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1yj9 h LYS 4 Cb 0.34 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1yj9 h LYS 4 CO -0.40 0.42 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.56 1yj9 h LYS 5 N 0.65 0.00 -0.01 3.15 1.63 -1.67 -2.59 116.57 117.73 1yj9 h LYS 5 Ca 0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1yj9 h LYS 5 Cb 0.73 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.36 1yj9 h LYS 5 CO -0.38 0.12 -0.08 0.54 -3.45 0.00 0.00 179.45 176.21 1yj9 n ARG 6 N -4.07 1.44 0.23 1.90 1.74 -0.58 -4.30 116.66 113.03 1yj9 n ARG 6 Ca -0.02 -0.86 0.10 0.00 -0.77 0.00 0.00 57.85 56.30 1yj9 n ARG 6 Cb 0.21 -1.48 0.54 0.00 -1.02 0.00 0.00 32.46 30.70 1yj9 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1yj9 h GLN 7 N 2.10 0.00 -6.31 5.56 1.08 -1.43 -3.44 115.11 112.67 1yj9 h GLN 7 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1yj9 h GLN 7 Cb 0.52 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1yj9 h GLN 7 CO 0.00 0.22 1.26 1.03 -0.95 0.00 0.00 178.83 180.39 1yj9 s ARG 8 N -3.90 4.03 0.00 1.46 1.81 -1.26 -1.64 118.95 119.45 1yj9 s ARG 8 Ca -0.01 2.54 0.00 0.00 -1.72 0.00 0.00 55.73 56.54 1yj9 s ARG 8 Cb 0.12 -4.18 0.00 0.00 -0.45 0.00 0.00 34.95 30.44 1yj9 s ARG 8 CO 0.63 -1.08 0.00 0.41 -0.68 0.00 0.00 175.30 174.58 1yj9 n GLY 9 N 4.67 0.68 0.40 -3.53 0.00 -1.26 -4.92 105.19 101.23 1yj9 n GLY 9 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 1yj9 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yj9 n SER 10 N 0.00 1.74 0.00 1.61 3.41 -0.66 -4.97 113.62 114.76 1yj9 n SER 10 Ca 0.00 -1.34 0.00 0.00 -0.26 0.00 0.00 58.87 57.27 1yj9 n SER 10 Cb 0.00 0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1yj9 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1yj9 n ARG 11 N -0.28 0.00 -0.11 4.33 0.63 -1.26 -4.02 116.66 115.95 1yj9 n ARG 11 Ca 0.09 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.13 1yj9 n ARG 11 Cb 0.43 0.00 0.32 0.00 0.45 0.00 0.00 32.46 33.66 1yj9 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1yj9 n THR 12 N 0.00 0.28 -4.37 5.15 -2.24 -1.26 -4.95 114.28 106.89 1yj9 n THR 12 Ca 0.00 -0.47 -0.38 0.00 -2.27 0.00 0.00 64.05 60.93 1yj9 n THR 12 Cb 0.00 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 1yj9 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1yj9 n HIS 13 N 0.72 -1.41 -1.53 4.78 8.25 -1.26 -0.99 115.22 123.78 1yj9 n HIS 13 Ca 0.17 0.72 -0.09 0.00 -0.26 0.00 0.00 57.72 58.26 1yj9 n HIS 13 Cb 0.43 -2.48 -0.03 0.00 1.12 0.00 0.00 29.99 29.03 1yj9 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yj9 n GLY 14 N -1.43 0.76 0.97 -1.41 0.00 -1.26 -4.92 105.19 97.89 1yj9 n GLY 14 Ca 0.02 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.56 1yj9 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yj9 n GLY 15 N -1.62 1.13 7.00 -0.02 0.00 -0.16 -5.07 105.19 106.45 1yj9 n GLY 15 Ca -0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1yj9 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yj9 n GLY 16 N 1.31 -0.53 3.48 -0.02 0.00 -1.26 -4.76 105.19 103.41 1yj9 n GLY 16 Ca 0.15 -1.12 -0.62 0.00 0.00 0.00 0.00 46.02 44.43 1yj9 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yj9 n SER 17 N 0.49 0.76 0.00 1.61 2.88 -1.26 -4.70 113.62 113.40 1yj9 n SER 17 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1yj9 n SER 17 Cb 0.00 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1yj9 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yj9 n HIS 18 N 2.99 0.00 0.89 0.66 -0.00 -1.26 0.86 115.22 119.36 1yj9 n HIS 18 Ca 0.26 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 58.07 1yj9 n HIS 18 Cb -0.01 -0.14 0.26 0.00 -0.00 0.00 0.00 29.99 30.11 1yj9 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1yj9 n LYS 19 N -1.07 1.90 -0.04 -1.40 5.02 -1.26 -4.57 118.16 116.74 1yj9 n LYS 19 Ca 0.00 -1.38 -0.03 0.00 -2.02 0.00 0.00 58.31 54.88 1yj9 n LYS 19 Cb 0.03 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 33.67 1yj9 n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1yj9 n ASN 20 N 0.61 1.00 -3.68 4.39 3.02 0.25 -4.73 115.26 116.11 1yj9 n ASN 20 Ca 0.15 0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 54.68 1yj9 n ASN 20 Cb 0.36 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.78 1yj9 n ASN 20 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1yj9 n ARG 21 N -3.54 1.43 0.00 3.52 1.74 -1.26 -4.73 116.66 113.82 1yj9 n ARG 21 Ca -0.05 -1.84 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 1yj9 n ARG 21 Cb 0.17 -2.95 0.00 0.00 -1.02 0.00 0.00 32.46 28.66 1yj9 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1yj9 n ARG 22 N 7.14 0.00 0.00 5.56 1.74 -1.26 -5.13 116.66 124.71 1yj9 n ARG 22 Ca 0.49 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1yj9 n ARG 22 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 1yj9 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yj9 n GLY 23 N 5.00 1.24 0.01 -0.13 0.00 -1.26 -4.93 105.19 105.11 1yj9 n GLY 23 Ca 0.00 -1.88 0.02 0.00 0.00 0.00 0.00 46.02 44.16 1yj9 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yj9 n ALA 24 N -3.00 1.11 0.10 4.61 0.00 -1.26 -2.16 120.51 119.91 1yj9 n ALA 24 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yj9 n ALA 24 Cb 0.00 -1.06 0.28 0.00 0.00 0.00 0.00 19.45 18.67 1yj9 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yj9 h GLY 25 N 0.42 0.25 1.90 0.00 0.00 -1.92 -1.25 103.07 102.46 1yj9 h GLY 25 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1yj9 h GLY 25 CO 0.00 0.19 0.00 1.57 0.00 0.00 0.00 176.54 178.30 1yj9 n HIS 26 N -4.10 0.00 0.38 5.60 -0.00 -0.92 -1.39 115.22 114.79 1yj9 n HIS 26 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.75 1yj9 n HIS 26 Cb 0.41 -0.45 0.02 0.00 -0.00 0.00 0.00 29.99 29.98 1yj9 n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1yj9 n ARG 27 N -1.45 0.92 -2.21 1.57 1.74 -0.57 -4.98 116.66 111.68 1yj9 n ARG 27 Ca 0.04 -0.88 -0.11 0.00 -0.77 0.00 0.00 57.85 56.13 1yj9 n ARG 27 Cb 0.14 -1.13 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1yj9 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yj9 n GLY 28 N 0.63 -0.10 0.00 -0.13 0.00 -0.48 -4.84 105.19 100.27 1yj9 n GLY 28 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1yj9 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yj9 n GLY 29 N -1.01 3.30 3.74 -0.02 0.00 -0.65 -4.65 105.19 105.90 1yj9 n GLY 29 Ca -0.13 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1yj9 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yj9 s ARG 30 N -2.92 4.59 7.56 1.61 6.06 -1.26 -4.70 118.95 129.88 1yj9 s ARG 30 Ca 0.00 1.23 0.00 0.00 -2.50 0.00 0.00 55.73 54.46 1yj9 s ARG 30 Cb 0.00 -3.36 0.00 0.00 0.06 0.00 0.00 34.95 31.65 1yj9 s ARG 30 CO 0.00 0.28 0.00 0.41 -2.50 0.00 0.00 175.30 173.49 1yj9 n GLY 31 N 2.26 3.62 1.98 8.12 0.00 -1.26 -2.11 105.19 117.80 1yj9 n GLY 31 Ca -0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1yj9 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yj9 n ASP 32 N 5.08 3.61 -4.74 1.61 8.00 -1.26 -4.98 116.55 123.86 1yj9 n ASP 32 Ca 0.00 -3.28 -0.42 0.00 0.71 0.00 0.00 54.79 51.80 1yj9 n ASP 32 Cb 0.00 -0.77 -0.00 0.00 -0.02 0.00 0.00 41.12 40.33 1yj9 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yj9 n ALA 33 N -0.81 1.93 -1.01 2.24 0.00 -0.90 -2.06 120.51 119.91 1yj9 n ALA 33 Ca 0.48 0.35 -0.00 0.00 0.00 0.00 0.00 53.44 54.26 1yj9 n ALA 33 Cb 1.44 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 1yj9 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yj9 n GLY 34 N 0.58 0.44 0.00 0.00 0.00 -1.26 -4.77 105.19 100.19 1yj9 n GLY 34 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1yj9 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1yj9 n ARG 35 N -2.47 0.00 0.00 1.61 -4.01 -0.87 -0.30 116.66 110.61 1yj9 n ARG 35 Ca -0.00 0.29 0.00 0.00 -1.04 0.00 0.00 57.85 57.10 1yj9 n ARG 35 Cb 0.07 -1.54 0.00 0.00 -3.04 0.00 0.00 32.46 27.96 1yj9 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1yj9 n ASP 36 N -1.27 1.20 0.00 2.89 5.75 -1.26 -3.77 116.55 120.08 1yj9 n ASP 36 Ca 0.00 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 1yj9 n ASP 36 Cb 0.04 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1yj9 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1yj9 n LYS 37 N -0.16 0.00 0.26 0.11 4.76 0.59 -4.82 118.16 118.89 1yj9 n LYS 37 Ca 0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.59 1yj9 n LYS 37 Cb 0.12 0.00 0.58 0.00 -1.84 0.00 0.00 35.03 33.89 1yj9 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1yj9 h HIS 38 N 0.00 0.00 -0.29 2.13 2.07 -1.93 -3.20 115.15 113.94 1yj9 h HIS 38 Ca 0.00 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.30 1yj9 h HIS 38 Cb 0.00 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 29.79 1yj9 h HIS 38 CO 0.00 0.06 -0.66 0.39 -3.07 0.00 0.00 177.93 174.65 1yj9 n GLU 39 N -3.17 2.27 0.21 5.12 1.02 -0.91 -4.76 120.64 120.42 1yj9 n GLU 39 Ca 0.01 -3.57 0.05 0.00 -0.02 0.00 0.00 57.16 53.63 1yj9 n GLU 39 Cb 0.36 -1.79 0.50 0.00 -0.02 0.00 0.00 31.44 30.49 1yj9 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1yj9 h PHE 40 N 1.48 0.04 -1.46 -0.32 -5.15 -1.58 -3.41 116.94 106.54 1yj9 h PHE 40 Ca 0.12 -0.00 -0.70 0.00 -0.20 0.00 0.00 57.97 57.19 1yj9 h PHE 40 Cb 1.25 -0.01 0.08 0.00 0.22 0.00 0.00 35.95 37.48 1yj9 h PHE 40 CO 0.76 0.19 0.04 0.72 -2.00 0.00 0.00 178.31 178.02 1yj9 n HIS 41 N -4.34 0.73 -3.51 6.09 -0.00 -1.26 -3.09 115.22 109.84 1yj9 n HIS 41 Ca -0.02 0.85 -0.23 0.00 -0.00 0.00 0.00 57.72 58.32 1yj9 n HIS 41 Cb 0.23 -2.16 0.04 0.00 -0.00 0.00 0.00 29.99 28.11 1yj9 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1yj9 n ASN 42 N 1.87 -5.93 -3.79 0.41 5.03 -1.26 -5.01 115.26 106.57 1yj9 n ASN 42 Ca 0.17 -0.82 -0.13 0.00 0.87 0.00 0.00 54.58 54.68 1yj9 n ASN 42 Cb 0.20 -3.90 -0.12 0.00 -1.02 0.00 0.00 39.78 34.94 1yj9 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1yj9 s HIS 43 N -3.34 -0.25 0.35 3.10 3.76 -1.18 -5.12 115.29 112.61 1yj9 s HIS 43 Ca 0.37 0.61 -0.28 0.00 -0.15 0.00 0.00 55.06 55.61 1yj9 s HIS 43 Cb -0.11 0.09 -0.12 0.00 1.11 0.00 0.00 32.58 33.55 1yj9 s HIS 43 CO 0.82 -0.13 1.44 0.39 -0.85 0.00 0.00 174.74 176.41 1yj9 n GLU 44 N 2.91 2.50 -2.14 1.40 -0.58 -1.26 -4.90 120.64 118.56 1yj9 n GLU 44 Ca -0.13 0.88 -0.36 0.00 -0.42 0.00 0.00 57.16 57.13 1yj9 n GLU 44 Cb 0.58 -2.57 0.01 0.00 -0.57 0.00 0.00 31.44 28.90 1yj9 n GLU 44 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1yj9 s PRO 45 N -1.78 3.33 0.80 3.49 0.04 -1.26 -4.97 135.00 134.64 1yj9 s PRO 45 Ca 0.56 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 63.24 1yj9 s PRO 45 Cb -0.51 -2.12 0.06 0.00 0.04 0.00 0.00 34.50 31.97 1yj9 s PRO 45 CO 0.61 -0.91 1.08 1.28 0.04 0.00 0.00 177.00 179.10 1yj9 n LEU 46 N -1.14 3.80 0.00 -3.56 4.77 -1.26 -4.95 117.00 114.65 1yj9 n LEU 46 Ca 0.11 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1yj9 n LEU 46 Cb 0.49 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1yj9 n LEU 46 CO 0.45 -1.95 0.00 0.61 -1.33 0.00 0.00 177.39 175.18 1yj9 n GLY 47 N 0.77 3.02 3.71 -0.72 0.00 -1.26 -5.09 105.19 105.61 1yj9 n GLY 47 Ca 0.13 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1yj9 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yj9 s LYS 48 N -2.04 2.76 -0.10 1.61 1.02 -1.26 -5.12 119.74 116.61 1yj9 s LYS 48 Ca 0.00 -0.68 -0.04 0.00 0.02 0.00 0.00 55.97 55.27 1yj9 s LYS 48 Cb 0.00 -2.66 0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1yj9 s LYS 48 CO 0.00 0.59 0.20 0.45 -0.92 0.00 0.00 175.35 175.67 1yj9 s SER 49 N -1.93 0.54 0.83 2.83 0.15 -1.26 -5.13 113.70 109.73 1yj9 s SER 49 Ca 0.23 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1yj9 s SER 49 Cb -0.12 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1yj9 s SER 49 CO 0.15 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1yj9 n GLY 50 N 5.27 0.40 3.31 9.45 0.00 -1.26 -4.98 105.19 117.38 1yj9 n GLY 50 Ca -0.06 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1yj9 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yj9 s PHE 51 N 0.00 1.01 -0.02 1.61 -0.12 -1.26 -5.17 117.98 114.03 1yj9 s PHE 51 Ca 0.00 -1.24 0.06 0.00 -0.05 0.00 0.00 56.93 55.69 1yj9 s PHE 51 Cb 0.00 -0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.00 1yj9 s PHE 51 CO 0.00 -0.75 -0.18 0.15 -0.05 0.00 0.00 175.22 174.38 1yj9 s LYS 52 N -4.05 1.53 -0.00 1.99 1.02 -1.26 -5.12 119.74 113.85 1yj9 s LYS 52 Ca 0.35 -0.65 -0.18 0.00 0.02 0.00 0.00 55.97 55.51 1yj9 s LYS 52 Cb 0.05 -1.46 -0.06 0.00 -0.52 0.00 0.00 37.83 35.84 1yj9 s LYS 52 CO 0.13 0.38 0.51 1.03 -0.92 0.00 0.00 175.35 176.47 1yj9 s ARG 53 N -0.38 4.16 -0.00 1.68 0.52 -1.26 -5.00 118.95 118.67 1yj9 s ARG 53 Ca 0.06 0.58 -0.39 0.00 -0.52 0.00 0.00 55.73 55.46 1yj9 s ARG 53 Cb -0.08 -3.29 -0.18 0.00 0.52 0.00 0.00 34.95 31.92 1yj9 s ARG 53 CO -0.00 0.51 1.30 -0.35 0.02 0.00 0.00 175.30 176.78 1yj9 n PRO 54 N 2.32 0.73 -0.36 3.54 -0.04 -1.26 -4.86 135.00 135.08 1yj9 n PRO 54 Ca -0.10 0.26 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1yj9 n PRO 54 Cb 0.51 -1.86 0.05 0.00 -0.04 0.00 0.00 33.50 32.16 1yj9 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1yj9 h GLN 55 N 4.33 -0.02 -1.76 0.54 4.20 -1.98 -0.62 115.11 119.80 1yj9 h GLN 55 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1yj9 h GLN 55 Cb 1.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.15 1yj9 h GLN 55 CO 0.76 -0.01 0.00 0.36 -0.67 0.00 0.00 178.83 179.27 1yj9 n LYS 56 N -5.49 0.77 0.00 1.46 2.85 -1.26 -1.77 118.16 114.71 1yj9 n LYS 56 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1yj9 n LYS 56 Cb 0.41 -1.12 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1yj9 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1yj9 n VAL 57 N 1.30 0.00 -4.30 0.58 0.31 -0.24 -5.07 118.33 110.91 1yj9 n VAL 57 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1yj9 n VAL 57 Cb 0.38 1.38 -0.09 0.00 -0.91 0.00 0.00 33.84 34.60 1yj9 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1yj9 s GLN 58 N 0.00 3.06 -0.05 5.55 -0.21 -0.73 -5.00 119.66 122.28 1yj9 s GLN 58 Ca 0.00 -0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.00 1yj9 s GLN 58 Cb 0.00 -2.85 -0.04 0.00 1.00 0.00 0.00 33.01 31.12 1yj9 s GLN 58 CO 0.00 0.70 0.03 -1.21 -2.12 0.00 0.00 175.29 172.69 1yj9 s GLU 59 N -0.87 2.99 -0.22 2.91 2.02 -1.26 -5.08 118.70 119.19 1yj9 s GLU 59 Ca 0.13 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.65 1yj9 s GLU 59 Cb -0.11 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1yj9 s GLU 59 CO 0.02 0.68 -0.08 -2.00 0.02 0.00 0.00 175.26 173.90 1yj9 s GLU 60 N -1.22 3.19 -0.20 1.61 2.12 -1.26 -5.03 118.70 117.92 1yj9 s GLU 60 Ca 0.17 -0.74 -0.15 0.00 0.36 0.00 0.00 54.97 54.61 1yj9 s GLU 60 Cb -0.12 -2.91 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1yj9 s GLU 60 CO 0.07 -0.24 0.34 0.00 -0.54 0.00 0.00 175.26 174.89 1yj9 s ALA 61 N 1.41 3.57 -0.35 6.30 0.00 -1.26 -0.91 121.76 130.52 1yj9 s ALA 61 Ca 0.05 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 1yj9 s ALA 61 Cb -0.14 -2.54 0.02 0.00 0.00 0.00 0.00 23.12 20.46 1yj9 s ALA 61 CO -0.06 -0.19 1.07 0.00 0.00 0.00 0.00 175.76 176.59 1yj9 s ALA 62 N 1.07 3.44 0.02 0.00 0.00 -0.19 -4.91 121.76 121.18 1yj9 s ALA 62 Ca 0.17 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.00 1yj9 s ALA 62 Cb -0.14 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1yj9 s ALA 62 CO 0.07 -1.61 -0.00 0.95 0.00 0.00 0.00 175.76 175.16 1yj9 s THR 63 N 3.76 4.08 -0.10 0.00 -4.23 -1.26 -0.77 115.64 117.11 1yj9 s THR 63 Ca 0.45 -0.70 -0.08 0.00 -1.18 0.00 0.00 61.69 60.18 1yj9 s THR 63 Cb -0.11 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 70.91 1yj9 s THR 63 CO 0.18 0.32 0.26 -0.51 -0.54 0.00 0.00 174.62 174.33 1yj9 s ILE 64 N -1.13 -0.01 0.13 2.99 2.07 -1.00 -5.00 121.20 119.24 1yj9 s ILE 64 Ca 0.21 0.04 -0.13 0.00 -1.41 0.00 0.00 60.65 59.36 1yj9 s ILE 64 Cb -0.12 -0.38 -0.07 0.00 0.13 0.00 0.00 42.46 42.03 1yj9 s ILE 64 CO 0.12 0.02 0.51 -1.81 -1.91 0.00 0.00 174.94 171.87 1yj9 s ASP 65 N 0.50 6.79 0.23 4.50 1.01 -1.26 -0.39 116.67 128.05 1yj9 s ASP 65 Ca -0.03 1.02 -0.06 0.00 0.71 0.00 0.00 52.55 54.19 1yj9 s ASP 65 Cb -0.04 -2.26 0.40 0.00 1.01 0.00 0.00 42.92 42.02 1yj9 s ASP 65 CO -0.03 0.13 1.74 -0.37 0.21 0.00 0.00 175.17 176.85 1yj9 h VAL 66 N 2.85 0.71 -1.48 -1.27 -1.51 -1.43 -0.12 116.25 114.00 1yj9 h VAL 66 Ca -0.49 -0.16 0.49 0.00 -1.23 0.00 0.00 66.70 65.32 1yj9 h VAL 66 Cb 1.19 0.21 -0.13 0.00 -2.13 0.00 0.00 31.29 30.44 1yj9 h VAL 66 CO 0.66 0.08 0.98 -0.09 -1.23 0.00 0.00 177.57 177.97 1yj9 h ARG 67 N 0.46 0.01 0.00 5.19 2.43 -1.59 0.27 114.38 121.16 1yj9 h ARG 67 Ca 0.38 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1yj9 h ARG 67 Cb 0.53 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1yj9 h ARG 67 CO -0.36 0.01 0.00 -1.91 -1.51 0.00 0.00 179.97 176.20 1yj9 n GLU 68 N -4.59 0.00 -0.25 0.20 2.13 -0.06 -1.76 120.64 116.31 1yj9 n GLU 68 Ca 0.41 0.46 -0.07 0.00 0.66 0.00 0.00 57.16 58.62 1yj9 n GLU 68 Cb 1.64 -1.09 -0.06 0.00 0.27 0.00 0.00 31.44 32.20 1yj9 n GLU 68 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1yj9 n ILE 69 N -1.87 -0.40 -0.16 6.31 5.41 -0.57 -0.26 119.36 127.81 1yj9 n ILE 69 Ca 0.00 1.60 -0.04 0.00 1.00 0.00 0.00 62.75 65.31 1yj9 n ILE 69 Cb 0.00 -1.99 0.06 0.00 -0.71 0.00 0.00 39.64 37.00 1yj9 n ILE 69 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1yj9 h ASP 70 N 0.00 0.27 0.00 4.38 3.58 -1.13 -2.31 116.42 121.21 1yj9 h ASP 70 Ca 0.09 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.59 1yj9 h ASP 70 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1yj9 h ASP 70 CO -0.56 0.19 0.04 -0.33 -2.88 0.00 0.00 179.24 175.70 1yj9 h GLU 71 N 0.43 0.00 0.00 0.28 5.08 0.21 -2.90 114.58 117.68 1yj9 h GLU 71 Ca 0.23 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1yj9 h GLU 71 Cb 0.20 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.31 1yj9 h GLU 71 CO -0.20 0.00 -0.64 0.09 -1.00 0.00 0.00 179.01 177.25 1yj9 n ASN 72 N -2.89 1.41 -0.37 1.42 3.02 -0.90 -4.81 115.26 112.14 1yj9 n ASN 72 Ca -0.03 -3.04 -0.01 0.00 -0.03 0.00 0.00 54.58 51.47 1yj9 n ASN 72 Cb 0.10 -0.42 0.12 0.00 -0.61 0.00 0.00 39.78 38.97 1yj9 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1yj9 h VAL 73 N 3.40 1.21 0.32 2.41 -1.51 -1.27 -1.12 116.25 119.69 1yj9 h VAL 73 Ca -0.08 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 1yj9 h VAL 73 Cb 1.34 -0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.30 1yj9 h VAL 73 CO 0.04 0.24 -0.15 0.71 -1.23 0.00 0.00 177.57 177.17 1yj9 h THR 74 N 1.30 0.59 0.00 7.19 1.35 -1.87 -2.82 112.91 118.65 1yj9 h THR 74 Ca 0.38 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1yj9 h THR 74 Cb -0.08 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1yj9 h THR 74 CO -0.10 0.12 0.35 -0.07 -0.25 0.00 0.00 175.52 175.57 1yj9 h LEU 75 N -0.88 0.00 -6.28 3.87 3.38 -1.85 -2.35 115.31 111.19 1yj9 h LEU 75 Ca -0.04 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 57.15 1yj9 h LEU 75 Cb 0.52 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.06 1yj9 h LEU 75 CO 0.07 0.00 1.55 0.18 0.09 0.00 0.00 178.44 180.33 1yj9 n LEU 76 N -2.37 7.19 0.19 1.67 4.77 -0.44 -4.73 117.00 123.27 1yj9 n LEU 76 Ca -0.01 -5.06 0.03 0.00 -0.03 0.00 0.00 56.01 50.93 1yj9 n LEU 76 Cb 0.38 -1.31 0.36 0.00 -2.33 0.00 0.00 43.42 40.52 1yj9 n LEU 76 CO 0.08 1.84 0.72 0.00 -1.33 0.00 0.00 177.39 178.69 1yj9 h ALA 77 N 4.92 1.34 0.00 -1.18 0.00 -1.62 -2.99 119.26 119.73 1yj9 h ALA 77 Ca 0.47 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yj9 h ALA 77 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yj9 h ALA 77 CO 1.39 0.47 0.00 0.00 0.00 0.00 0.00 179.25 181.12 1yj9 n ALA 78 N -2.45 2.68 -2.26 0.00 0.00 -1.26 -4.80 120.51 112.42 1yj9 n ALA 78 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 1yj9 n ALA 78 Cb 0.42 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 1yj9 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yj9 s ASP 79 N 1.24 1.09 0.02 0.00 1.01 -1.13 -5.13 116.67 113.77 1yj9 s ASP 79 Ca 0.00 -1.25 -0.30 0.00 0.71 0.00 0.00 52.55 51.70 1yj9 s ASP 79 Cb 0.00 0.16 -0.07 0.00 1.01 0.00 0.00 42.92 44.01 1yj9 s ASP 79 CO 0.00 -0.65 1.71 -1.81 0.21 0.00 0.00 175.17 174.63 1yj9 s ASP 80 N -3.21 6.60 -0.25 0.27 1.11 -1.17 -4.92 116.67 115.09 1yj9 s ASP 80 Ca 0.29 2.43 0.09 0.00 0.18 0.00 0.00 52.55 55.55 1yj9 s ASP 80 Cb 0.07 -2.55 0.65 0.00 1.07 0.00 0.00 42.92 42.16 1yj9 s ASP 80 CO 0.07 -0.93 1.61 0.52 1.18 0.00 0.00 175.17 177.63 1yj9 n VAL 81 N 5.11 2.47 -1.24 -1.27 0.31 -1.26 -1.45 118.33 121.01 1yj9 n VAL 81 Ca 0.17 -1.29 -0.41 0.00 -0.01 0.00 0.00 64.34 62.79 1yj9 n VAL 81 Cb 0.41 -0.39 -0.02 0.00 -0.91 0.00 0.00 33.84 32.94 1yj9 n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1yj9 n ALA 82 N 0.13 -2.78 0.00 3.52 0.00 -1.26 -4.83 120.51 115.29 1yj9 n ALA 82 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 53.44 54.02 1yj9 n ALA 82 Cb 1.17 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1yj9 n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yj9 n GLU 83 N 1.05 0.00 -4.24 0.00 0.28 -1.26 -4.64 120.64 111.84 1yj9 n GLU 83 Ca 0.14 0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.89 1yj9 n GLU 83 Cb 0.29 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.09 1yj9 n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1yj9 s PHE 89 N 0.00 2.80 -0.18 -1.84 0.40 0.40 -5.13 117.98 114.43 1yj9 s PHE 89 Ca 0.00 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 1yj9 s PHE 89 Cb 0.00 -1.30 0.02 0.00 0.51 0.00 0.00 43.02 42.24 1yj9 s PHE 89 CO 0.00 0.56 -0.18 0.50 0.70 0.00 0.00 175.22 176.80 1yj9 s ARG 90 N -3.31 3.04 -0.01 0.44 3.52 -0.53 0.18 118.95 122.28 1yj9 s ARG 90 Ca 0.29 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1yj9 s ARG 90 Cb -0.08 -2.61 0.02 0.00 -1.56 0.00 0.00 34.95 30.72 1yj9 s ARG 90 CO 0.19 -0.19 0.01 0.54 -0.81 0.00 0.00 175.30 175.05 1yj9 s VAL 91 N 1.26 0.01 -0.68 7.11 0.11 0.09 -3.06 120.40 125.24 1yj9 s VAL 91 Ca 0.04 0.10 -0.23 0.00 -2.93 0.00 0.00 61.98 58.96 1yj9 s VAL 91 Cb -0.13 -0.09 0.07 0.00 -1.53 0.00 0.00 36.38 34.69 1yj9 s VAL 91 CO -0.11 0.06 1.01 -0.62 -3.33 0.00 0.00 175.10 172.11 1yj9 s ASP 92 N 0.62 6.18 0.29 3.54 -1.08 -1.26 -1.75 116.67 123.21 1yj9 s ASP 92 Ca -0.05 -0.96 0.01 0.00 -0.52 0.00 0.00 52.55 51.02 1yj9 s ASP 92 Cb -0.08 -2.43 0.70 0.00 -1.46 0.00 0.00 42.92 39.65 1yj9 s ASP 92 CO -0.02 -1.48 1.61 0.58 0.52 0.00 0.00 175.17 176.39 1yj9 h VAL 93 N 5.98 0.17 -0.99 1.11 2.07 -1.24 -0.55 116.25 122.81 1yj9 h VAL 93 Ca -0.27 -0.03 0.41 0.00 0.82 0.00 0.00 66.70 67.62 1yj9 h VAL 93 Cb 1.07 0.08 -0.17 0.00 -1.52 0.00 0.00 31.29 30.74 1yj9 h VAL 93 CO 1.19 0.02 0.55 0.54 0.02 0.00 0.00 177.57 179.89 1yj9 n ARG 94 N -5.37 -0.06 0.00 1.57 1.74 -1.26 0.19 116.66 113.48 1yj9 n ARG 94 Ca 0.21 1.31 0.14 0.00 -0.77 0.00 0.00 57.85 58.74 1yj9 n ARG 94 Cb 0.70 -2.37 0.58 0.00 -1.02 0.00 0.00 32.46 30.35 1yj9 n ARG 94 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1yj9 n ASP 95 N -5.12 0.16 -0.13 0.55 8.00 -0.22 -4.05 116.55 115.74 1yj9 n ASP 95 Ca 0.37 0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.69 1yj9 n ASP 95 Cb 1.26 -0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 41.99 1yj9 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1yj9 n VAL 96 N -1.37 1.48 -1.52 2.53 0.31 0.49 -4.91 118.33 115.35 1yj9 n VAL 96 Ca 0.09 -0.44 -0.47 0.00 -0.01 0.00 0.00 64.34 63.51 1yj9 n VAL 96 Cb 0.31 -1.70 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 1yj9 n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1yj9 n VAL 97 N -3.87 0.25 -1.50 2.52 0.31 -0.63 -4.92 118.33 110.49 1yj9 n VAL 97 Ca -0.51 -0.37 -0.34 0.00 -0.01 0.00 0.00 64.34 63.12 1yj9 n VAL 97 Cb 0.92 -2.09 0.08 0.00 -0.91 0.00 0.00 33.84 31.84 1yj9 n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1yj9 s GLU 98 N 6.37 2.27 -1.91 5.55 2.02 -1.26 -2.20 118.70 129.53 1yj9 s GLU 98 Ca 1.06 1.68 0.00 0.00 0.02 0.00 0.00 54.97 57.73 1yj9 s GLU 98 Cb -0.60 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1yj9 s GLU 98 CO 0.42 -1.72 0.00 0.39 0.02 0.00 0.00 175.26 174.37 1yj9 n GLU 99 N -2.66 -1.45 -0.03 1.61 1.02 -1.26 -4.86 120.64 113.00 1yj9 n GLU 99 Ca 0.13 1.13 -0.15 0.00 -0.02 0.00 0.00 57.16 58.25 1yj9 n GLU 99 Cb 0.51 -5.49 -0.12 0.00 -0.02 0.00 0.00 31.44 26.32 1yj9 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yj9 h ALA 100 N 0.00 0.02 -0.93 0.62 0.00 -1.76 -3.35 119.26 113.86 1yj9 h ALA 100 Ca -0.37 -0.47 0.13 0.00 0.00 0.00 0.00 54.91 54.20 1yj9 h ALA 100 Cb 1.27 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 1yj9 h ALA 100 CO 0.54 0.06 -0.44 0.38 0.00 0.00 0.00 179.25 179.79 1yj9 h ASP 101 N -0.57 -1.62 0.00 0.00 2.03 -1.86 0.25 116.42 114.65 1yj9 h ASP 101 Ca -0.03 0.30 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 1yj9 h ASP 101 Cb 1.00 0.79 0.00 0.00 -0.83 0.00 0.00 39.33 40.29 1yj9 h ASP 101 CO 0.04 -0.28 0.00 -0.90 -1.03 0.00 0.00 179.24 177.07 1yj9 n ASP 102 N -5.41 0.00 -4.94 4.15 5.75 -1.26 -4.82 116.55 110.02 1yj9 n ASP 102 Ca 0.07 -0.73 -0.21 0.00 -0.01 0.00 0.00 54.79 53.91 1yj9 n ASP 102 Cb 0.36 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.49 1yj9 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yj9 s ALA 103 N -2.00 3.99 -1.90 2.12 0.00 0.89 -5.01 121.76 119.85 1yj9 s ALA 103 Ca 0.27 -1.46 0.30 0.00 0.00 0.00 0.00 51.96 51.07 1yj9 s ALA 103 Cb 0.12 -1.98 1.56 0.00 0.00 0.00 0.00 23.12 22.82 1yj9 s ALA 103 CO 0.21 -0.79 2.04 -3.47 0.00 0.00 0.00 175.76 173.76 1yj9 n ASP 104 N -2.34 0.33 0.00 0.00 -0.08 -0.09 -4.96 116.55 109.42 1yj9 n ASP 104 Ca 0.09 -0.84 0.00 0.00 -1.51 0.00 0.00 54.79 52.53 1yj9 n ASP 104 Cb 0.60 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1yj9 n ASP 104 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yj9 n TYR 105 N -0.86 0.00 -3.64 -0.67 0.18 -1.25 -4.95 117.16 105.97 1yj9 n TYR 105 Ca 0.19 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.62 1yj9 n TYR 105 Cb 0.21 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.09 1yj9 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1yj9 s VAL 106 N -2.00 5.36 -0.05 -3.48 1.01 -1.26 -1.02 120.40 118.95 1yj9 s VAL 106 Ca 0.00 0.33 0.05 0.00 0.00 0.00 0.00 61.98 62.36 1yj9 s VAL 106 Cb 0.00 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 1yj9 s VAL 106 CO 0.00 0.40 -0.20 -0.75 0.00 0.00 0.00 175.10 174.55 1yj9 s LYS 107 N 0.57 2.09 -0.16 2.72 2.20 0.05 -1.57 119.74 125.63 1yj9 s LYS 107 Ca 0.11 -0.71 -0.10 0.00 -0.36 0.00 0.00 55.97 54.92 1yj9 s LYS 107 Cb -0.12 -1.78 -0.05 0.00 -1.51 0.00 0.00 37.83 34.37 1yj9 s LYS 107 CO 0.01 0.27 0.16 0.08 -0.36 0.00 0.00 175.35 175.51 1yj9 s VAL 108 N 0.02 5.42 0.12 4.02 1.01 0.13 -2.38 120.40 128.75 1yj9 s VAL 108 Ca -0.05 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1yj9 s VAL 108 Cb -0.13 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 1yj9 s VAL 108 CO 0.03 0.50 -0.03 -0.76 0.00 0.00 0.00 175.10 174.84 1yj9 s LEU 109 N -0.12 3.30 -1.11 3.92 1.43 0.47 -1.98 118.68 124.59 1yj9 s LEU 109 Ca 0.12 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1yj9 s LEU 109 Cb -0.12 -2.02 0.27 0.00 0.03 0.00 0.00 46.19 44.35 1yj9 s LEU 109 CO 0.01 0.14 1.90 0.61 0.23 0.00 0.00 176.35 179.25 1yj9 n GLY 110 N 0.35 5.74 3.53 -3.19 0.00 -1.26 -1.54 105.19 108.82 1yj9 n GLY 110 Ca -0.11 -2.46 -0.36 0.00 0.00 0.00 0.00 46.02 43.09 1yj9 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yj9 s ALA 111 N -3.21 3.28 0.00 4.61 0.00 -1.26 -4.77 121.76 120.41 1yj9 s ALA 111 Ca 0.41 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1yj9 s ALA 111 Cb 0.16 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1yj9 s ALA 111 CO -0.08 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1yj9 n GLY 112 N 4.38 -1.82 4.01 0.00 0.00 -1.26 -2.31 105.19 108.19 1yj9 n GLY 112 Ca -0.16 -1.89 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 1yj9 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yj9 s GLN 113 N 0.00 2.71 -0.22 1.61 -0.21 -1.26 -4.84 119.66 117.46 1yj9 s GLN 113 Ca 0.00 -1.33 -0.03 0.00 0.02 0.00 0.00 55.36 54.02 1yj9 s GLN 113 Cb 0.00 -2.73 0.07 0.00 1.00 0.00 0.00 33.01 31.35 1yj9 s GLN 113 CO 0.00 -0.39 0.06 0.08 -2.12 0.00 0.00 175.29 172.92 1yj9 s VAL 114 N -2.42 0.41 -1.62 1.09 1.01 -1.26 -3.97 120.40 113.64 1yj9 s VAL 114 Ca 0.56 -0.65 0.20 0.00 0.00 0.00 0.00 61.98 62.10 1yj9 s VAL 114 Cb -0.09 -1.05 0.68 0.00 0.00 0.00 0.00 36.38 35.91 1yj9 s VAL 114 CO 0.34 -0.36 1.58 0.54 0.00 0.00 0.00 175.10 177.20 1yj9 n ARG 115 N 5.08 3.15 -4.07 2.72 1.74 -1.26 -4.82 116.66 119.20 1yj9 n ARG 115 Ca -0.07 -2.72 -0.10 0.00 -0.77 0.00 0.00 57.85 54.19 1yj9 n ARG 115 Cb 0.46 -1.71 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 1yj9 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1yj9 s HIS 116 N -1.40 0.69 -0.38 -1.55 3.76 -1.26 -5.10 115.29 110.04 1yj9 s HIS 116 Ca 0.50 -1.02 -0.26 0.00 -0.15 0.00 0.00 55.06 54.12 1yj9 s HIS 116 Cb 0.29 -0.26 0.02 0.00 1.11 0.00 0.00 32.58 33.74 1yj9 s HIS 116 CO 0.29 -0.67 0.95 -1.83 -0.85 0.00 0.00 174.74 172.62 1yj9 s GLU 117 N -4.04 3.81 0.07 1.40 -1.05 -1.25 -4.81 118.70 112.84 1yj9 s GLU 117 Ca 0.24 0.56 0.09 0.00 -0.15 0.00 0.00 54.97 55.71 1yj9 s GLU 117 Cb 0.05 -3.82 -0.03 0.00 -0.44 0.00 0.00 34.13 29.88 1yj9 s GLU 117 CO 0.04 -1.00 -0.22 -0.51 0.95 0.00 0.00 175.26 174.52 1yj9 s LEU 118 N 3.58 2.47 -0.59 1.83 1.43 -1.26 0.15 118.68 126.29 1yj9 s LEU 118 Ca 0.39 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 1yj9 s LEU 118 Cb -0.11 -1.42 0.15 0.00 0.03 0.00 0.00 46.19 44.84 1yj9 s LEU 118 CO 0.20 0.23 0.36 -0.89 0.23 0.00 0.00 176.35 176.48 1yj9 s THR 119 N -0.97 3.09 -0.08 5.49 2.01 0.49 -1.19 115.64 124.49 1yj9 s THR 119 Ca 0.15 -3.29 -0.17 0.00 0.31 0.00 0.00 61.69 58.68 1yj9 s THR 119 Cb -0.10 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1yj9 s THR 119 CO 0.06 -0.86 0.44 -0.76 -0.69 0.00 0.00 174.62 172.81 1yj9 s LEU 120 N -0.35 4.35 -0.16 4.42 1.43 -0.81 -0.73 118.68 126.82 1yj9 s LEU 120 Ca 0.18 0.85 0.01 0.00 -1.03 0.00 0.00 54.13 54.14 1yj9 s LEU 120 Cb -0.22 -2.64 0.02 0.00 0.03 0.00 0.00 46.19 43.38 1yj9 s LEU 120 CO -0.03 0.12 -0.17 -0.63 0.23 0.00 0.00 176.35 175.87 1yj9 s ILE 121 N 0.01 1.82 0.28 -0.59 1.01 -0.72 -0.74 121.20 122.28 1yj9 s ILE 121 Ca 0.24 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.98 1yj9 s ILE 121 Cb -0.16 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.65 1yj9 s ILE 121 CO 0.11 0.50 0.53 0.00 0.00 0.00 0.00 174.94 176.08 1yj9 s ALA 122 N 1.38 -0.21 -0.03 9.38 0.00 -1.14 -0.60 121.76 130.54 1yj9 s ALA 122 Ca 0.05 -0.92 0.21 0.00 0.00 0.00 0.00 51.96 51.29 1yj9 s ALA 122 Cb -0.13 1.02 0.56 0.00 0.00 0.00 0.00 23.12 24.58 1yj9 s ALA 122 CO -0.12 -0.88 1.67 -0.44 0.00 0.00 0.00 175.76 176.00 1yj9 h ASP 123 N 2.18 0.00 -4.83 0.00 3.32 -1.70 0.47 116.42 115.85 1yj9 h ASP 123 Ca -0.26 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.76 1yj9 h ASP 123 Cb 1.25 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.61 1yj9 h ASP 123 CO 0.35 0.30 0.27 -0.62 -1.72 0.00 0.00 179.24 177.82 1yj9 s ASP 124 N -6.29 -0.58 0.05 6.45 2.15 -0.61 -3.92 116.67 113.92 1yj9 s ASP 124 Ca 0.02 0.52 0.01 0.00 0.43 0.00 0.00 52.55 53.53 1yj9 s ASP 124 Cb 0.09 0.50 -0.03 0.00 -0.30 0.00 0.00 42.92 43.18 1yj9 s ASP 124 CO 0.68 -0.62 -0.05 -0.36 -0.17 0.00 0.00 175.17 174.65 1yj9 s PHE 125 N -1.68 0.58 0.69 -5.34 0.40 -1.26 0.22 117.98 111.59 1yj9 s PHE 125 Ca -0.07 -0.76 -0.09 0.00 -0.60 0.00 0.00 56.93 55.42 1yj9 s PHE 125 Cb -0.00 -0.37 0.15 0.00 0.51 0.00 0.00 43.02 43.31 1yj9 s PHE 125 CO 0.04 -0.21 0.94 -1.13 0.70 0.00 0.00 175.22 175.56 1yj9 n SER 126 N 0.79 0.40 0.04 1.36 3.41 -0.84 -4.92 113.62 113.86 1yj9 n SER 126 Ca -0.18 -1.54 -0.11 0.00 -0.26 0.00 0.00 58.87 56.78 1yj9 n SER 126 Cb 0.58 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 1yj9 n SER 126 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1yj9 h GLU 127 N 0.00 -0.19 0.00 4.33 4.81 -2.00 -2.89 114.58 118.64 1yj9 h GLU 127 Ca -0.31 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1yj9 h GLU 127 Cb 0.92 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1yj9 h GLU 127 CO 0.25 0.26 0.01 0.78 -0.73 0.00 0.00 179.01 179.58 1yj9 h GLY 128 N -0.85 0.00 0.61 1.92 0.00 -1.95 -1.46 103.07 101.34 1yj9 h GLY 128 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 1yj9 h GLY 128 CO 0.03 0.00 -0.67 0.00 0.00 0.00 0.00 176.54 175.91 1yj9 h ALA 129 N 1.97 -0.06 0.63 3.60 0.00 -1.85 -2.37 119.26 121.18 1yj9 h ALA 129 Ca 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1yj9 h ALA 129 Cb 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1yj9 h ALA 129 CO 0.00 0.32 -0.46 0.00 0.00 0.00 0.00 179.25 179.11 1yj9 h ARG 130 N -0.42 -1.00 0.00 0.00 3.08 -1.09 -2.71 114.38 112.23 1yj9 h ARG 130 Ca -0.11 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1yj9 h ARG 130 Cb 1.50 0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.78 1yj9 h ARG 130 CO 0.13 -0.67 0.00 0.39 -1.07 0.00 0.00 179.97 178.75 1yj9 n GLU 131 N -5.29 0.00 -0.29 0.04 1.02 -0.65 -1.84 120.64 113.63 1yj9 n GLU 131 Ca -0.13 0.72 0.19 0.00 -0.02 0.00 0.00 57.16 57.93 1yj9 n GLU 131 Cb 0.45 -1.38 0.36 0.00 -0.02 0.00 0.00 31.44 30.85 1yj9 n GLU 131 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1yj9 n LYS 132 N -2.23 -0.06 -0.09 3.49 5.02 -0.89 -0.26 118.16 123.13 1yj9 n LYS 132 Ca 0.00 1.24 -0.15 0.00 -2.02 0.00 0.00 58.31 57.38 1yj9 n LYS 132 Cb 0.00 -2.07 -0.04 0.00 -0.02 0.00 0.00 35.03 32.90 1yj9 n LYS 132 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1yj9 h VAL 133 N 0.00 1.28 0.00 -0.18 2.07 -1.11 -2.93 116.25 115.38 1yj9 h VAL 133 Ca 0.61 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1yj9 h VAL 133 Cb 1.44 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1yj9 h VAL 133 CO -0.74 0.55 -0.01 -0.33 0.02 0.00 0.00 177.57 177.06 1yj9 h GLU 134 N 0.67 0.00 0.00 1.57 5.08 0.14 0.19 114.58 122.22 1yj9 h GLU 134 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1yj9 h GLU 134 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1yj9 h GLU 134 CO 0.11 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.54 1yj9 n GLY 135 N 0.42 -1.57 1.24 -3.84 0.00 -0.01 -1.99 105.19 99.44 1yj9 n GLY 135 Ca 0.02 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.06 1yj9 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yj9 n ALA 136 N -1.63 3.29 -2.87 4.61 0.00 -0.91 -4.92 120.51 118.09 1yj9 n ALA 136 Ca 0.06 -2.17 -0.11 0.00 0.00 0.00 0.00 53.44 51.22 1yj9 n ALA 136 Cb 0.37 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 19.02 1yj9 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yj9 n GLY 137 N -0.10 -0.44 3.55 0.00 0.00 -0.84 -3.77 105.19 103.59 1yj9 n GLY 137 Ca 0.24 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 1yj9 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yj9 s GLY 138 N -3.54 2.69 0.07 -0.02 0.00 0.61 -4.43 107.32 102.70 1yj9 s GLY 138 Ca 0.22 -1.10 0.05 0.00 0.00 0.00 0.00 44.72 43.88 1yj9 s GLY 138 CO 0.54 -1.88 -0.13 -1.35 0.00 0.00 0.00 173.10 170.27 1yj9 s SER 139 N -3.65 1.59 -0.29 1.64 1.04 -0.34 -4.08 113.70 109.62 1yj9 s SER 139 Ca 0.21 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 56.04 1yj9 s SER 139 Cb 0.02 -0.04 0.08 0.00 0.10 0.00 0.00 66.02 66.18 1yj9 s SER 139 CO 0.13 -0.09 -0.00 -0.69 0.98 0.00 0.00 173.24 173.57 1yj9 s VAL 140 N -1.32 1.81 -0.29 5.02 1.01 -1.26 -1.92 120.40 123.45 1yj9 s VAL 140 Ca -0.03 -1.73 -0.14 0.00 0.00 0.00 0.00 61.98 60.08 1yj9 s VAL 140 Cb -0.10 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1yj9 s VAL 140 CO 0.02 -0.36 0.35 -1.61 0.00 0.00 0.00 175.10 173.50 1yj9 s GLU 141 N 1.20 3.92 -0.15 2.72 2.02 0.08 -5.01 118.70 123.48 1yj9 s GLU 141 Ca 0.02 -0.09 -0.28 0.00 0.02 0.00 0.00 54.97 54.63 1yj9 s GLU 141 Cb -0.19 -3.69 -0.01 0.00 0.10 0.00 0.00 34.13 30.35 1yj9 s GLU 141 CO -0.10 -0.32 0.97 -1.17 0.02 0.00 0.00 175.26 174.66 1yj9 s LEU 142 N 2.03 4.20 1.00 1.80 2.96 -1.26 -2.87 118.68 126.53 1yj9 s LEU 142 Ca 0.13 1.40 -0.14 0.00 -0.22 0.00 0.00 54.13 55.31 1yj9 s LEU 142 Cb -0.16 -3.46 0.08 0.00 0.50 0.00 0.00 46.19 43.15 1yj9 s LEU 142 CO 0.10 -0.48 0.43 0.41 -1.32 0.00 0.00 176.35 175.50 1yj9 n THR 143 N 4.76 0.00 -0.25 3.68 -1.04 0.16 -4.74 114.28 116.85 1yj9 n THR 143 Ca 0.08 -0.21 -0.02 0.00 -2.04 0.00 0.00 64.05 61.86 1yj9 n THR 143 Cb 0.48 -0.68 0.09 0.00 -1.82 0.00 0.00 70.33 68.40 1yj9 n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1yj9 h ASP 144 N -1.78 0.67 -0.61 8.00 3.32 -1.95 0.47 116.42 124.54 1yj9 h ASP 144 Ca -0.47 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.60 1yj9 h ASP 144 Cb 1.30 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 1yj9 h ASP 144 CO 0.37 0.45 0.40 0.25 -1.72 0.00 0.00 179.24 178.99 1yj9 h LEU 145 N 0.81 0.69 0.00 1.55 6.46 -1.93 -1.59 115.31 121.31 1yj9 h LEU 145 Ca 0.29 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1yj9 h LEU 145 Cb 0.09 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1yj9 h LEU 145 CO -0.14 0.50 0.02 0.61 -0.62 0.00 0.00 178.44 178.81 1yj9 n GLY 146 N -1.45 -0.11 1.05 3.75 0.00 0.17 -3.20 105.19 105.40 1yj9 n GLY 146 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1yj9 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yj9 n GLU 147 N -1.06 0.88 0.01 1.61 1.02 -0.60 -3.31 120.64 119.19 1yj9 n GLU 147 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1yj9 n GLU 147 Cb 0.02 -1.06 0.13 0.00 -0.02 0.00 0.00 31.44 30.51 1yj9 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1yj9 n GLU 148 N 0.66 0.11 -1.94 3.49 1.02 -1.19 -4.88 120.64 117.91 1yj9 n GLU 148 Ca 0.00 0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 1yj9 n GLU 148 Cb 0.44 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 1yj9 n GLU 148 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1yj9 s ARG 149 N -3.07 3.24 0.00 3.49 1.81 -1.21 -5.27 118.95 117.94 1yj9 s ARG 149 Ca 0.08 1.46 0.00 0.00 -1.72 0.00 0.00 55.73 55.55 1yj9 s ARG 149 Cb 0.16 -4.24 0.00 0.00 -0.45 0.00 0.00 34.95 30.42 1yj9 s ARG 149 CO 0.75 -1.97 0.00 0.94 -0.68 0.00 0.00 175.30 174.34