#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k73 s SER 2 N 0.00 6.09 0.11 8.00 1.04 -1.26 -5.00 113.70 122.69 1k73 s SER 2 Ca 0.00 0.33 -0.26 0.00 0.48 0.00 0.00 55.95 56.50 1k73 s SER 2 Cb 0.00 -1.77 -0.07 0.00 0.10 0.00 0.00 66.02 64.27 1k73 s SER 2 CO 0.00 -0.46 1.64 0.50 0.98 0.00 0.00 173.24 175.91 1k73 h LYS 3 N 0.64 -0.41 -0.69 4.02 3.64 -2.07 -1.89 116.57 119.80 1k73 h LYS 3 Ca -0.48 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.07 1k73 h LYS 3 Cb 1.23 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 33.04 1k73 h LYS 3 CO 0.59 -0.27 0.11 0.87 -2.27 0.00 0.00 179.45 178.48 1k73 h LYS 4 N -0.43 0.21 0.00 1.90 1.57 -2.02 0.56 116.57 118.36 1k73 h LYS 4 Ca 0.04 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1k73 h LYS 4 Cb 0.47 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1k73 h LYS 4 CO -0.17 0.14 0.08 -0.22 -0.57 0.00 0.00 179.45 178.71 1k73 h LYS 5 N 0.22 0.00 -0.30 3.15 1.63 -1.73 -1.43 116.57 118.10 1k73 h LYS 5 Ca 0.38 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.18 1k73 h LYS 5 Cb 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1k73 h LYS 5 CO -0.51 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.03 1k73 n ARG 6 N -2.66 2.33 0.21 1.90 1.74 0.18 -4.46 116.66 115.90 1k73 n ARG 6 Ca -0.02 -2.13 0.10 0.00 -0.77 0.00 0.00 57.85 55.04 1k73 n ARG 6 Cb 0.13 -1.47 0.32 0.00 -1.02 0.00 0.00 32.46 30.42 1k73 n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1k73 h GLN 7 N 4.17 0.00 -6.10 5.56 1.08 -1.22 -3.45 115.11 115.15 1k73 h GLN 7 Ca 0.00 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.63 1k73 h GLN 7 Cb 0.93 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1k73 h GLN 7 CO 0.00 0.17 1.42 1.03 -0.95 0.00 0.00 178.83 180.49 1k73 s ARG 8 N -3.36 3.43 0.00 1.46 1.81 -1.26 -1.93 118.95 119.10 1k73 s ARG 8 Ca 0.03 2.20 0.00 0.00 -1.72 0.00 0.00 55.73 56.25 1k73 s ARG 8 Cb 0.08 -4.31 0.00 0.00 -0.45 0.00 0.00 34.95 30.27 1k73 s ARG 8 CO 0.65 -1.77 0.00 0.41 -0.68 0.00 0.00 175.30 173.92 1k73 n GLY 9 N 5.40 1.10 0.02 -3.53 0.00 -1.26 -4.94 105.19 101.98 1k73 n GLY 9 Ca 0.27 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.42 1k73 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k73 n SER 10 N 0.00 0.41 0.00 1.61 3.41 -0.81 -4.95 113.62 113.29 1k73 n SER 10 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1k73 n SER 10 Cb 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1k73 n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1k73 n ARG 11 N -1.69 0.00 0.00 4.33 0.63 -1.26 -4.19 116.66 114.49 1k73 n ARG 11 Ca 0.06 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.12 1k73 n ARG 11 Cb 0.36 0.00 0.46 0.00 0.45 0.00 0.00 32.46 33.74 1k73 n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1k73 n THR 12 N 0.00 0.00 -4.11 5.15 -2.24 -1.26 -4.96 114.28 106.86 1k73 n THR 12 Ca 0.00 -0.13 -0.33 0.00 -2.27 0.00 0.00 64.05 61.33 1k73 n THR 12 Cb 0.00 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1k73 n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1k73 n HIS 13 N -0.61 -1.80 -1.05 4.78 8.25 -1.26 -0.95 115.22 122.58 1k73 n HIS 13 Ca 0.14 0.80 -0.02 0.00 -0.26 0.00 0.00 57.72 58.38 1k73 n HIS 13 Cb 0.33 -3.30 -0.01 0.00 1.12 0.00 0.00 29.99 28.13 1k73 n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k73 n GLY 14 N -1.59 0.50 0.31 -1.41 0.00 -1.26 -4.89 105.19 96.85 1k73 n GLY 14 Ca -0.03 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1k73 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k73 n GLY 15 N -1.99 -0.44 4.26 -0.02 0.00 -0.12 -5.03 105.19 101.84 1k73 n GLY 15 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1k73 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k73 n GLY 16 N 1.31 0.62 3.72 -0.02 0.00 -1.26 -4.74 105.19 104.80 1k73 n GLY 16 Ca 0.14 -1.21 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1k73 n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k73 n SER 17 N 2.39 2.77 0.00 1.61 2.88 -1.26 -4.80 113.62 117.21 1k73 n SER 17 Ca 0.00 1.12 0.06 0.00 -1.33 0.00 0.00 58.87 58.72 1k73 n SER 17 Cb 0.00 -1.53 0.35 0.00 -0.75 0.00 0.00 64.21 62.28 1k73 n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k73 n HIS 18 N -0.17 0.00 0.92 0.66 -0.00 -1.26 -0.92 115.22 114.44 1k73 n HIS 18 Ca 0.06 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.89 1k73 n HIS 18 Cb 0.40 0.00 0.31 0.00 -0.00 0.00 0.00 29.99 30.69 1k73 n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1k73 n LYS 19 N -0.88 2.04 -0.00 -1.40 5.02 -1.26 -4.56 118.16 117.12 1k73 n LYS 19 Ca 0.09 -1.56 -0.00 0.00 -2.02 0.00 0.00 58.31 54.81 1k73 n LYS 19 Cb 0.04 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1k73 n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1k73 h ASN 20 N 3.20 0.00 -0.16 4.39 2.35 -1.34 -3.43 115.58 120.60 1k73 h ASN 20 Ca 0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 1k73 h ASN 20 Cb 0.70 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.09 1k73 h ASN 20 CO 0.00 0.02 0.79 0.54 -1.65 0.00 0.00 177.43 177.13 1k73 n ARG 21 N -2.20 0.61 0.00 0.81 1.74 -1.26 -4.74 116.66 111.63 1k73 n ARG 21 Ca -0.00 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.30 1k73 n ARG 21 Cb 0.00 -3.51 0.00 0.00 -1.02 0.00 0.00 32.46 27.94 1k73 n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1k73 n ARG 22 N 8.03 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.57 1k73 n ARG 22 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1k73 n ARG 22 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 1k73 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k73 n GLY 23 N 5.00 1.16 0.12 -0.13 0.00 -1.26 -4.94 105.19 105.15 1k73 n GLY 23 Ca 0.00 -1.74 0.11 0.00 0.00 0.00 0.00 46.02 44.39 1k73 n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k73 n ALA 24 N -3.00 1.51 -0.02 4.61 0.00 -1.26 -2.88 120.51 119.47 1k73 n ALA 24 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.56 1k73 n ALA 24 Cb 0.00 -1.35 0.36 0.00 0.00 0.00 0.00 19.45 18.45 1k73 n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1k73 h GLY 25 N 1.74 0.61 2.00 0.00 0.00 -1.91 0.22 103.07 105.72 1k73 h GLY 25 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1k73 h GLY 25 CO 0.00 0.27 0.00 1.57 0.00 0.00 0.00 176.54 178.38 1k73 n HIS 26 N -4.39 0.58 0.45 5.60 -0.00 -1.14 -1.83 115.22 114.50 1k73 n HIS 26 Ca 0.03 0.25 0.05 0.00 -0.00 0.00 0.00 57.72 58.06 1k73 n HIS 26 Cb 0.13 -0.91 0.05 0.00 -0.00 0.00 0.00 29.99 29.26 1k73 n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1k73 n ARG 27 N -2.06 0.54 -2.42 1.57 1.74 0.65 -4.97 116.66 111.72 1k73 n ARG 27 Ca 0.01 -1.16 -0.10 0.00 -0.77 0.00 0.00 57.85 55.83 1k73 n ARG 27 Cb 0.15 -1.21 0.01 0.00 -1.02 0.00 0.00 32.46 30.39 1k73 n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k73 n GLY 28 N 0.61 0.06 0.00 -0.13 0.00 -0.64 -4.80 105.19 100.30 1k73 n GLY 28 Ca 0.06 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1k73 n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k73 n GLY 29 N -1.06 2.40 3.73 -0.02 0.00 -0.55 -4.60 105.19 105.08 1k73 n GLY 29 Ca -0.08 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 1k73 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k73 s ARG 30 N -3.13 4.33 5.45 1.61 6.06 -1.26 -4.60 118.95 127.41 1k73 s ARG 30 Ca 0.00 2.14 0.00 0.00 -2.50 0.00 0.00 55.73 55.37 1k73 s ARG 30 Cb 0.00 -3.18 0.00 0.00 0.06 0.00 0.00 34.95 31.83 1k73 s ARG 30 CO 0.00 -0.36 0.00 0.41 -2.50 0.00 0.00 175.30 172.85 1k73 n GLY 31 N 2.71 3.21 1.11 8.12 0.00 -1.26 -2.30 105.19 116.78 1k73 n GLY 31 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1k73 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k73 n ASP 32 N 3.39 2.77 -4.75 1.61 8.00 -1.26 -4.93 116.55 121.38 1k73 n ASP 32 Ca 0.00 -2.32 -0.41 0.00 0.71 0.00 0.00 54.79 52.77 1k73 n ASP 32 Cb 0.00 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.52 1k73 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k73 s ALA 33 N -1.04 3.74 0.00 2.24 0.00 -0.97 -2.04 121.76 123.69 1k73 s ALA 33 Ca 0.13 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1k73 s ALA 33 Cb 0.11 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1k73 s ALA 33 CO 0.03 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1k73 n GLY 34 N 2.21 0.71 0.00 0.00 0.00 -1.26 -4.77 105.19 102.07 1k73 n GLY 34 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1k73 n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k73 n ARG 35 N -2.50 0.00 0.00 1.61 -4.01 -0.87 -0.01 116.66 110.88 1k73 n ARG 35 Ca 0.00 0.14 0.00 0.00 -1.04 0.00 0.00 57.85 56.95 1k73 n ARG 35 Cb 0.00 -1.52 0.00 0.00 -3.04 0.00 0.00 32.46 27.90 1k73 n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1k73 n ASP 36 N -1.10 0.29 0.00 2.89 5.75 -1.26 -4.08 116.55 119.04 1k73 n ASP 36 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 1k73 n ASP 36 Cb 0.02 0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1k73 n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1k73 n LYS 37 N -0.49 0.00 0.27 0.11 4.76 0.99 -4.78 118.16 119.02 1k73 n LYS 37 Ca 0.00 0.00 0.17 0.00 -2.87 0.00 0.00 58.31 55.61 1k73 n LYS 37 Cb 0.02 0.00 0.62 0.00 -1.84 0.00 0.00 35.03 33.83 1k73 n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1k73 h HIS 38 N 0.00 0.00 -0.78 2.13 2.07 -1.93 -3.24 115.15 113.40 1k73 h HIS 38 Ca 0.00 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.99 1k73 h HIS 38 Cb 0.00 0.00 -0.43 0.00 2.57 0.00 0.00 27.41 29.55 1k73 h HIS 38 CO 0.00 0.00 -0.84 0.39 -3.07 0.00 0.00 177.93 174.42 1k73 n GLU 39 N -3.10 3.47 0.17 5.12 1.02 -0.75 -4.81 120.64 121.76 1k73 n GLU 39 Ca 0.01 -4.14 0.02 0.00 -0.02 0.00 0.00 57.16 53.02 1k73 n GLU 39 Cb 0.33 -2.23 0.32 0.00 -0.02 0.00 0.00 31.44 29.84 1k73 n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1k73 h PHE 40 N 2.24 0.00 -1.34 -0.32 -5.15 -1.58 -3.40 116.94 107.39 1k73 h PHE 40 Ca 0.33 0.00 -0.74 0.00 -0.20 0.00 0.00 57.97 57.35 1k73 h PHE 40 Cb 1.48 0.00 0.05 0.00 0.22 0.00 0.00 35.95 37.69 1k73 h PHE 40 CO 0.82 0.43 0.35 0.72 -2.00 0.00 0.00 178.31 178.63 1k73 n HIS 41 N -4.01 1.22 -3.04 6.09 -0.00 -1.26 -2.62 115.22 111.59 1k73 n HIS 41 Ca -0.02 0.84 -0.19 0.00 -0.00 0.00 0.00 57.72 58.36 1k73 n HIS 41 Cb 0.46 -2.24 0.04 0.00 -0.00 0.00 0.00 29.99 28.25 1k73 n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1k73 n ASN 42 N 2.44 -5.40 -4.18 0.41 5.03 -1.26 -5.02 115.26 107.28 1k73 n ASN 42 Ca 0.21 -0.30 -0.25 0.00 0.87 0.00 0.00 54.58 55.11 1k73 n ASN 42 Cb 0.12 -4.17 -0.15 0.00 -1.02 0.00 0.00 39.78 34.56 1k73 n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1k73 s HIS 43 N -3.13 1.59 0.47 3.10 3.76 -1.08 -5.11 115.29 114.90 1k73 s HIS 43 Ca 0.32 -0.32 -0.23 0.00 -0.15 0.00 0.00 55.06 54.69 1k73 s HIS 43 Cb -0.14 -1.00 -0.07 0.00 1.11 0.00 0.00 32.58 32.48 1k73 s HIS 43 CO 0.40 -0.00 1.20 -1.21 -0.85 0.00 0.00 174.74 174.28 1k73 s GLU 44 N -0.61 3.65 0.81 1.40 2.02 -1.26 -4.94 118.70 119.77 1k73 s GLU 44 Ca 0.06 1.86 -0.14 0.00 0.02 0.00 0.00 54.97 56.78 1k73 s GLU 44 Cb -0.07 -2.39 0.06 0.00 0.10 0.00 0.00 34.13 31.83 1k73 s GLU 44 CO -0.00 -0.66 1.04 -0.35 0.02 0.00 0.00 175.26 175.30 1k73 n PRO 45 N -0.57 0.18 -1.45 0.39 -0.04 -1.26 -4.99 135.00 127.26 1k73 n PRO 45 Ca 0.08 0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.35 1k73 n PRO 45 Cb 0.47 -2.30 0.07 0.00 -0.04 0.00 0.00 33.50 31.71 1k73 n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k73 s LEU 46 N -4.42 3.14 0.00 1.53 1.43 -1.26 -4.99 118.68 114.11 1k73 s LEU 46 Ca 0.71 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 1k73 s LEU 46 Cb -0.30 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.40 1k73 s LEU 46 CO 0.53 -1.80 0.00 0.61 0.23 0.00 0.00 176.35 175.92 1k73 n GLY 47 N -1.25 3.01 3.82 -3.19 0.00 -1.26 -5.09 105.19 101.23 1k73 n GLY 47 Ca 0.09 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 1k73 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k73 s LYS 48 N -2.17 3.02 -0.24 1.61 1.02 -1.26 -5.12 119.74 116.60 1k73 s LYS 48 Ca 0.00 -0.73 -0.10 0.00 0.02 0.00 0.00 55.97 55.16 1k73 s LYS 48 Cb 0.00 -2.75 0.09 0.00 -0.52 0.00 0.00 37.83 34.65 1k73 s LYS 48 CO 0.00 0.53 0.53 0.45 -0.92 0.00 0.00 175.35 175.94 1k73 s SER 49 N -2.81 -0.68 0.50 2.83 0.15 -1.26 -5.14 113.70 107.28 1k73 s SER 49 Ca 0.31 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.20 1k73 s SER 49 Cb -0.11 1.51 0.00 0.00 -1.71 0.00 0.00 66.02 65.71 1k73 s SER 49 CO 0.24 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1k73 n GLY 50 N 4.98 -0.72 3.49 9.45 0.00 -1.26 -5.01 105.19 116.12 1k73 n GLY 50 Ca -0.15 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 1k73 n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k73 s PHE 51 N 0.00 0.66 0.00 1.61 -0.12 -1.26 -5.17 117.98 113.71 1k73 s PHE 51 Ca 0.00 -0.97 0.05 0.00 -0.05 0.00 0.00 56.93 55.96 1k73 s PHE 51 Cb 0.00 -0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 1k73 s PHE 51 CO 0.00 -0.95 -0.16 0.15 -0.05 0.00 0.00 175.22 174.21 1k73 s LYS 52 N -3.86 1.25 0.21 1.99 1.02 -1.26 -5.13 119.74 113.96 1k73 s LYS 52 Ca 0.27 -0.64 -0.15 0.00 0.02 0.00 0.00 55.97 55.48 1k73 s LYS 52 Cb 0.01 -1.24 -0.08 0.00 -0.52 0.00 0.00 37.83 36.01 1k73 s LYS 52 CO 0.12 0.33 0.63 1.03 -0.92 0.00 0.00 175.35 176.54 1k73 s ARG 53 N -0.57 4.03 0.21 1.68 0.52 -1.26 -5.00 118.95 118.56 1k73 s ARG 53 Ca 0.06 0.59 -0.32 0.00 -0.52 0.00 0.00 55.73 55.54 1k73 s ARG 53 Cb -0.07 -2.80 -0.15 0.00 0.52 0.00 0.00 34.95 32.46 1k73 s ARG 53 CO -0.00 0.38 1.28 -0.35 0.02 0.00 0.00 175.30 176.63 1k73 n PRO 54 N 0.46 1.58 -0.38 3.54 -0.04 -1.26 -4.84 135.00 134.07 1k73 n PRO 54 Ca -0.02 0.56 0.30 0.00 -0.04 0.00 0.00 63.50 64.30 1k73 n PRO 54 Cb 0.52 -2.14 0.56 0.00 -0.04 0.00 0.00 33.50 32.40 1k73 n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1k73 h GLN 55 N 3.76 0.21 -0.61 0.54 4.20 -1.97 0.51 115.11 121.75 1k73 h GLN 55 Ca -0.44 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1k73 h GLN 55 Cb 1.31 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1k73 h GLN 55 CO 0.73 0.14 0.00 0.36 -0.67 0.00 0.00 178.83 179.39 1k73 n LYS 56 N -4.82 2.16 0.00 1.46 2.85 -1.26 -3.01 118.16 115.54 1k73 n LYS 56 Ca 0.33 -1.14 0.00 0.00 -1.05 0.00 0.00 58.31 56.45 1k73 n LYS 56 Cb 1.17 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.99 1k73 n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1k73 n VAL 57 N 0.28 0.98 -3.97 0.58 0.31 0.17 -5.00 118.33 111.68 1k73 n VAL 57 Ca 0.10 -0.99 -0.36 0.00 -0.01 0.00 0.00 64.34 63.08 1k73 n VAL 57 Cb 0.46 0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 33.83 1k73 n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1k73 s GLN 58 N -0.98 3.49 -0.13 5.55 -0.21 -1.16 -4.99 119.66 121.22 1k73 s GLN 58 Ca 0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 55.36 55.15 1k73 s GLN 58 Cb 0.00 -3.14 -0.02 0.00 1.00 0.00 0.00 33.01 30.85 1k73 s GLN 58 CO 0.00 0.66 -0.09 -1.21 -2.12 0.00 0.00 175.29 172.54 1k73 s GLU 59 N -0.71 3.45 -0.37 2.91 2.02 -1.26 -5.07 118.70 119.67 1k73 s GLU 59 Ca 0.13 -0.60 -0.07 0.00 0.02 0.00 0.00 54.97 54.44 1k73 s GLU 59 Cb -0.12 -2.75 0.06 0.00 0.10 0.00 0.00 34.13 31.42 1k73 s GLU 59 CO 0.03 0.27 0.16 -2.00 0.02 0.00 0.00 175.26 173.73 1k73 s GLU 60 N 0.25 2.55 0.09 1.61 2.12 -1.26 -5.00 118.70 119.07 1k73 s GLU 60 Ca -0.06 -1.32 -0.30 0.00 0.36 0.00 0.00 54.97 53.64 1k73 s GLU 60 Cb -0.15 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 1k73 s GLU 60 CO 0.04 -0.79 0.99 0.00 -0.54 0.00 0.00 175.26 174.96 1k73 s ALA 61 N 1.38 3.24 -0.42 6.30 0.00 -1.26 -1.27 121.76 129.73 1k73 s ALA 61 Ca 0.01 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.37 1k73 s ALA 61 Cb -0.21 -3.30 0.02 0.00 0.00 0.00 0.00 23.12 19.63 1k73 s ALA 61 CO 0.02 -0.10 0.56 0.00 0.00 0.00 0.00 175.76 176.24 1k73 s ALA 62 N 0.23 3.39 0.33 0.00 0.00 0.16 -4.93 121.76 120.94 1k73 s ALA 62 Ca 0.49 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1k73 s ALA 62 Cb -0.24 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1k73 s ALA 62 CO 0.30 -1.66 0.41 0.95 0.00 0.00 0.00 175.76 175.76 1k73 s THR 63 N 2.55 3.90 -0.28 0.00 -4.23 -1.26 0.01 115.64 116.33 1k73 s THR 63 Ca 0.19 -1.13 -0.25 0.00 -1.18 0.00 0.00 61.69 59.33 1k73 s THR 63 Cb -0.15 -3.34 0.11 0.00 1.34 0.00 0.00 72.50 70.46 1k73 s THR 63 CO 0.17 -0.17 0.96 -0.51 -0.54 0.00 0.00 174.62 174.53 1k73 s ILE 64 N -2.22 0.00 0.12 2.99 2.07 -0.95 -4.94 121.20 118.28 1k73 s ILE 64 Ca 0.43 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.59 1k73 s ILE 64 Cb -0.08 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.45 1k73 s ILE 64 CO 0.29 0.00 0.43 -1.81 -1.91 0.00 0.00 174.94 171.94 1k73 s ASP 65 N 0.31 6.61 0.39 4.50 1.01 -1.26 0.59 116.67 128.83 1k73 s ASP 65 Ca 0.02 0.78 0.13 0.00 0.71 0.00 0.00 52.55 54.19 1k73 s ASP 65 Cb -0.05 -2.17 0.94 0.00 1.01 0.00 0.00 42.92 42.65 1k73 s ASP 65 CO -0.05 0.10 1.88 -0.37 0.21 0.00 0.00 175.17 176.94 1k73 h VAL 66 N 2.52 0.79 -0.81 -1.27 -1.51 -1.08 -0.18 116.25 114.70 1k73 h VAL 66 Ca -0.48 -0.19 0.17 0.00 -1.23 0.00 0.00 66.70 64.97 1k73 h VAL 66 Cb 1.18 0.19 -0.11 0.00 -2.13 0.00 0.00 31.29 30.42 1k73 h VAL 66 CO 0.68 0.10 0.33 -0.09 -1.23 0.00 0.00 177.57 177.37 1k73 h ARG 67 N 0.55 0.43 -0.23 5.19 2.43 -1.61 0.13 114.38 121.27 1k73 h ARG 67 Ca 0.43 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.52 1k73 h ARG 67 Cb 0.86 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1k73 h ARG 67 CO -0.18 0.28 -0.06 1.49 -1.51 0.00 0.00 179.97 179.99 1k73 h GLU 68 N 0.44 0.45 0.73 0.20 4.81 -1.31 -0.01 114.58 119.88 1k73 h GLU 68 Ca 0.47 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1k73 h GLU 68 Cb 0.77 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1k73 h GLU 68 CO -0.45 0.69 -0.45 0.82 -0.73 0.00 0.00 179.01 178.89 1k73 h ILE 69 N 0.18 0.09 -0.81 2.32 2.04 -1.25 -3.09 117.51 116.99 1k73 h ILE 69 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.03 1k73 h ILE 69 Cb 0.53 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 1k73 h ILE 69 CO 0.02 0.00 0.44 -0.78 0.00 0.00 0.00 178.15 177.83 1k73 h ASP 70 N -1.11 0.58 0.44 1.72 3.58 -0.79 -0.79 116.42 120.05 1k73 h ASP 70 Ca -0.10 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1k73 h ASP 70 Cb 0.90 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1k73 h ASP 70 CO 0.10 0.30 0.00 -0.62 -2.88 0.00 0.00 179.24 176.14 1k73 n GLU 71 N -4.81 0.12 -1.10 0.28 1.02 -0.02 -2.86 120.64 113.26 1k73 n GLU 71 Ca 0.14 0.44 0.04 0.00 -0.02 0.00 0.00 57.16 57.76 1k73 n GLU 71 Cb 0.33 -1.77 0.12 0.00 -0.02 0.00 0.00 31.44 30.09 1k73 n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1k73 n ASN 72 N -2.01 1.52 0.16 1.62 3.02 -0.33 -4.84 115.26 114.40 1k73 n ASN 72 Ca 0.01 -3.04 -0.14 0.00 -0.03 0.00 0.00 54.58 51.39 1k73 n ASN 72 Cb 0.15 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.81 1k73 n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1k73 h VAL 73 N 3.73 0.77 -0.58 2.41 -1.51 -1.34 -1.49 116.25 118.24 1k73 h VAL 73 Ca -0.09 -0.34 0.03 0.00 -1.23 0.00 0.00 66.70 65.07 1k73 h VAL 73 Cb 1.41 0.96 -0.04 0.00 -2.13 0.00 0.00 31.29 31.49 1k73 h VAL 73 CO 0.08 0.07 0.35 0.71 -1.23 0.00 0.00 177.57 177.55 1k73 h THR 74 N -0.54 1.05 0.00 7.19 1.35 -1.88 -2.02 112.91 118.06 1k73 h THR 74 Ca -0.04 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 1k73 h THR 74 Cb 0.40 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.13 1k73 h THR 74 CO 0.06 0.12 -0.04 -0.07 -0.25 0.00 0.00 175.52 175.35 1k73 h LEU 75 N 0.68 0.00 -4.00 3.87 3.38 -1.88 -2.95 115.31 114.42 1k73 h LEU 75 Ca 0.24 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.89 1k73 h LEU 75 Cb 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.67 1k73 h LEU 75 CO -0.11 0.04 0.12 0.18 0.09 0.00 0.00 178.44 178.76 1k73 n LEU 76 N -3.89 5.98 -0.24 1.67 4.77 -0.57 -4.62 117.00 120.09 1k73 n LEU 76 Ca -0.03 -3.47 0.32 0.00 -0.03 0.00 0.00 56.01 52.81 1k73 n LEU 76 Cb 0.12 -1.24 0.73 0.00 -2.33 0.00 0.00 43.42 40.70 1k73 n LEU 76 CO 0.29 1.54 1.30 0.00 -1.33 0.00 0.00 177.39 179.19 1k73 h ALA 77 N 2.48 2.95 -0.18 -1.18 0.00 -1.68 -0.51 119.26 121.13 1k73 h ALA 77 Ca 0.27 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1k73 h ALA 77 Cb 1.03 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 1k73 h ALA 77 CO 0.56 -1.34 0.16 0.00 0.00 0.00 0.00 179.25 178.64 1k73 n ALA 78 N -2.67 4.45 -3.65 0.00 0.00 -1.26 -4.74 120.51 112.63 1k73 n ALA 78 Ca 0.22 -0.65 -0.03 0.00 0.00 0.00 0.00 53.44 52.98 1k73 n ALA 78 Cb 1.15 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1k73 n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k73 s ASP 79 N 1.30 -0.97 0.00 0.00 1.01 -0.20 -5.15 116.67 112.66 1k73 s ASP 79 Ca 0.12 1.46 0.00 0.00 0.71 0.00 0.00 52.55 54.85 1k73 s ASP 79 Cb 0.10 2.04 0.00 0.00 1.01 0.00 0.00 42.92 46.07 1k73 s ASP 79 CO -0.00 -0.22 0.00 0.47 0.21 0.00 0.00 175.17 175.62 1k73 n ASP 80 N 5.32 0.00 -4.14 0.27 9.92 -1.25 -4.77 116.55 121.89 1k73 n ASP 80 Ca -0.12 0.00 -0.25 0.00 -0.53 0.00 0.00 54.79 53.89 1k73 n ASP 80 Cb 0.50 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.83 1k73 n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k73 s VAL 81 N 0.00 1.33 0.00 2.53 1.01 -1.26 -2.03 120.40 121.97 1k73 s VAL 81 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1k73 s VAL 81 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1k73 s VAL 81 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 175.10 175.48 1k73 n ALA 82 N 2.80 0.00 0.29 5.51 0.00 -1.26 -4.90 120.51 122.95 1k73 n ALA 82 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.33 1k73 n ALA 82 Cb 0.54 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.24 1k73 n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1k73 h GLU 83 N 0.00 0.00 -6.62 0.00 4.11 -2.00 -3.50 114.58 106.57 1k73 h GLU 83 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1k73 h GLU 83 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1k73 h GLU 83 CO 0.00 0.00 -0.11 -0.06 0.07 0.00 0.00 179.01 178.91 1k73 s PHE 89 N -3.81 3.51 -0.13 2.06 0.40 -0.46 -5.09 117.98 114.46 1k73 s PHE 89 Ca -0.01 0.49 -0.02 0.00 -0.60 0.00 0.00 56.93 56.79 1k73 s PHE 89 Cb 0.03 -2.01 0.04 0.00 0.51 0.00 0.00 43.02 41.59 1k73 s PHE 89 CO 0.08 0.02 0.01 0.50 0.70 0.00 0.00 175.22 176.54 1k73 s ARG 90 N -4.36 0.68 -0.03 0.44 3.52 -0.86 -1.15 118.95 117.18 1k73 s ARG 90 Ca 0.42 -0.15 0.03 0.00 -0.13 0.00 0.00 55.73 55.91 1k73 s ARG 90 Cb -0.10 -1.52 -0.00 0.00 -1.56 0.00 0.00 34.95 31.77 1k73 s ARG 90 CO 0.38 -0.45 -0.12 0.54 -0.81 0.00 0.00 175.30 174.84 1k73 s VAL 91 N 1.91 0.99 -0.56 7.11 0.11 -0.70 -3.75 120.40 125.51 1k73 s VAL 91 Ca 0.02 -0.48 -0.21 0.00 -2.93 0.00 0.00 61.98 58.38 1k73 s VAL 91 Cb -0.14 -0.86 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1k73 s VAL 91 CO -0.07 0.29 0.79 -0.62 -3.33 0.00 0.00 175.10 172.16 1k73 s ASP 92 N 0.07 6.24 0.30 3.54 -1.08 -1.26 -2.42 116.67 122.05 1k73 s ASP 92 Ca -0.02 -0.86 0.06 0.00 -0.52 0.00 0.00 52.55 51.21 1k73 s ASP 92 Cb -0.09 -2.35 0.81 0.00 -1.46 0.00 0.00 42.92 39.83 1k73 s ASP 92 CO 0.01 -1.12 1.67 0.58 0.52 0.00 0.00 175.17 176.83 1k73 h VAL 93 N 5.93 0.39 -0.48 1.11 2.07 -1.45 -0.22 116.25 123.61 1k73 h VAL 93 Ca -0.28 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.27 1k73 h VAL 93 Cb 1.08 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1k73 h VAL 93 CO 1.06 0.06 0.56 0.03 0.02 0.00 0.00 177.57 179.30 1k73 h ARG 94 N 0.33 0.00 0.00 1.57 3.08 -1.92 0.64 114.38 118.09 1k73 h ARG 94 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.65 1k73 h ARG 94 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1k73 h ARG 94 CO -0.58 0.00 -0.65 -0.25 -1.07 0.00 0.00 179.97 177.42 1k73 n ASP 95 N -3.58 0.59 -0.08 7.04 8.00 -0.09 -4.42 116.55 124.00 1k73 n ASP 95 Ca 0.09 -0.20 -0.09 0.00 0.71 0.00 0.00 54.79 55.30 1k73 n ASP 95 Cb 0.75 0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 42.17 1k73 n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k73 n VAL 96 N -1.72 1.46 -1.69 2.53 0.31 0.22 -4.97 118.33 114.46 1k73 n VAL 96 Ca 0.04 0.14 -0.44 0.00 -0.01 0.00 0.00 64.34 64.06 1k73 n VAL 96 Cb 0.38 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 30.97 1k73 n VAL 96 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1k73 n VAL 97 N -4.54 0.01 -1.98 2.52 0.31 -0.73 -5.01 118.33 108.91 1k73 n VAL 97 Ca -0.15 -0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 63.87 1k73 n VAL 97 Cb 0.41 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1k73 n VAL 97 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1k73 s GLU 98 N 1.06 3.64 -0.70 5.55 2.02 -1.26 -3.48 118.70 125.52 1k73 s GLU 98 Ca 0.77 0.74 0.00 0.00 0.02 0.00 0.00 54.97 56.50 1k73 s GLU 98 Cb -0.61 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.52 1k73 s GLU 98 CO 0.36 -0.51 0.00 0.39 0.02 0.00 0.00 175.26 175.52 1k73 n GLU 99 N -2.57 -0.98 0.00 1.61 1.02 -1.26 -4.85 120.64 113.62 1k73 n GLU 99 Ca 0.06 0.64 0.00 0.00 -0.02 0.00 0.00 57.16 57.83 1k73 n GLU 99 Cb 0.54 -4.58 0.00 0.00 -0.02 0.00 0.00 31.44 27.38 1k73 n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k73 n ALA 100 N 1.12 2.47 -0.06 0.62 0.00 -1.23 -3.43 120.51 120.00 1k73 n ALA 100 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1k73 n ALA 100 Cb 0.35 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 1k73 n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k73 n ASP 101 N -0.40 1.31 -0.58 0.00 8.00 -1.26 -4.45 116.55 119.16 1k73 n ASP 101 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1k73 n ASP 101 Cb 0.05 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1k73 n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1k73 n ASP 102 N -3.85 1.27 -4.58 -2.24 5.75 -1.24 -4.75 116.55 106.91 1k73 n ASP 102 Ca -0.22 -1.91 -0.33 0.00 -0.01 0.00 0.00 54.79 52.31 1k73 n ASP 102 Cb 0.56 -0.48 -0.11 0.00 -1.03 0.00 0.00 41.12 40.06 1k73 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k73 s ALA 103 N -0.83 2.97 0.11 2.12 0.00 -1.22 -4.93 121.76 119.98 1k73 s ALA 103 Ca 0.00 -0.96 0.34 0.00 0.00 0.00 0.00 51.96 51.34 1k73 s ALA 103 Cb 0.00 -1.16 1.41 0.00 0.00 0.00 0.00 23.12 23.37 1k73 s ALA 103 CO 0.00 0.59 2.00 0.22 0.00 0.00 0.00 175.76 178.57 1k73 h ASP 104 N 4.94 0.00 0.00 0.00 1.82 -1.48 -3.47 116.42 118.23 1k73 h ASP 104 Ca -0.48 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1k73 h ASP 104 Cb 1.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.18 1k73 h ASP 104 CO 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.16 1k73 n TYR 105 N -3.06 0.00 -3.77 0.28 0.18 -1.26 -5.02 117.16 104.52 1k73 n TYR 105 Ca 0.00 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.43 1k73 n TYR 105 Cb 0.29 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.16 1k73 n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1k73 s VAL 106 N -2.00 5.27 -0.04 -3.48 1.01 -1.26 0.37 120.40 120.27 1k73 s VAL 106 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1k73 s VAL 106 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1k73 s VAL 106 CO 0.00 0.42 -0.19 -0.75 0.00 0.00 0.00 175.10 174.58 1k73 s LYS 107 N 0.52 1.91 -0.21 2.72 2.20 0.10 -1.66 119.74 125.32 1k73 s LYS 107 Ca 0.07 -0.69 -0.11 0.00 -0.36 0.00 0.00 55.97 54.89 1k73 s LYS 107 Cb -0.12 -1.68 -0.05 0.00 -1.51 0.00 0.00 37.83 34.48 1k73 s LYS 107 CO -0.00 0.30 0.16 0.08 -0.36 0.00 0.00 175.35 175.53 1k73 s VAL 108 N -0.09 5.38 0.18 4.02 1.01 0.18 -2.23 120.40 128.85 1k73 s VAL 108 Ca -0.02 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.24 1k73 s VAL 108 Cb -0.11 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1k73 s VAL 108 CO 0.02 0.39 0.16 -0.76 0.00 0.00 0.00 175.10 174.91 1k73 s LEU 109 N 0.68 3.84 -0.94 3.92 1.43 0.20 -2.79 118.68 125.01 1k73 s LEU 109 Ca 0.09 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1k73 s LEU 109 Cb -0.12 -2.44 0.33 0.00 0.03 0.00 0.00 46.19 43.99 1k73 s LEU 109 CO 0.01 0.05 1.83 0.61 0.23 0.00 0.00 176.35 179.08 1k73 n GLY 110 N -0.50 5.93 3.70 -3.19 0.00 -1.26 -0.82 105.19 109.05 1k73 n GLY 110 Ca -0.08 -2.57 -0.35 0.00 0.00 0.00 0.00 46.02 43.02 1k73 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k73 s ALA 111 N -4.20 3.55 0.00 4.61 0.00 -1.26 -4.64 121.76 119.82 1k73 s ALA 111 Ca 0.44 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1k73 s ALA 111 Cb 0.27 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1k73 s ALA 111 CO -0.22 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1k73 n GLY 112 N 3.23 -1.78 3.93 0.00 0.00 -1.26 -2.18 105.19 107.13 1k73 n GLY 112 Ca -0.17 -1.95 -0.19 0.00 0.00 0.00 0.00 46.02 43.71 1k73 n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k73 s GLN 113 N 0.00 2.70 -0.24 1.61 -0.21 -1.26 -4.82 119.66 117.44 1k73 s GLN 113 Ca 0.00 -1.37 -0.03 0.00 0.02 0.00 0.00 55.36 53.99 1k73 s GLN 113 Cb 0.00 -2.56 0.08 0.00 1.00 0.00 0.00 33.01 31.53 1k73 s GLN 113 CO 0.00 -0.17 0.07 0.08 -2.12 0.00 0.00 175.29 173.15 1k73 s VAL 114 N -2.39 0.47 -2.24 1.09 1.01 -1.26 -4.20 120.40 112.89 1k73 s VAL 114 Ca 0.50 -0.77 0.23 0.00 0.00 0.00 0.00 61.98 61.94 1k73 s VAL 114 Cb -0.06 -1.15 0.53 0.00 0.00 0.00 0.00 36.38 35.70 1k73 s VAL 114 CO 0.30 -0.41 1.47 0.54 0.00 0.00 0.00 175.10 177.00 1k73 n ARG 115 N 5.05 2.62 -4.36 2.72 1.74 -1.26 -4.75 116.66 118.42 1k73 n ARG 115 Ca -0.07 -2.48 -0.18 0.00 -0.77 0.00 0.00 57.85 54.35 1k73 n ARG 115 Cb 0.45 -1.54 -0.10 0.00 -1.02 0.00 0.00 32.46 30.24 1k73 n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1k73 s HIS 116 N -1.25 1.66 -0.35 -1.55 3.76 -1.26 -5.10 115.29 111.20 1k73 s HIS 116 Ca 0.44 -0.97 -0.21 0.00 -0.15 0.00 0.00 55.06 54.16 1k73 s HIS 116 Cb 0.24 -1.00 0.00 0.00 1.11 0.00 0.00 32.58 32.94 1k73 s HIS 116 CO 0.33 -0.07 0.69 -1.83 -0.85 0.00 0.00 174.74 173.00 1k73 s GLU 117 N -3.90 3.74 -0.02 1.40 -1.05 -1.24 -4.76 118.70 112.88 1k73 s GLU 117 Ca 0.32 0.19 0.07 0.00 -0.15 0.00 0.00 54.97 55.41 1k73 s GLU 117 Cb 0.07 -3.79 -0.02 0.00 -0.44 0.00 0.00 34.13 29.94 1k73 s GLU 117 CO 0.11 -0.75 -0.24 -0.51 0.95 0.00 0.00 175.26 174.82 1k73 s LEU 118 N 2.83 2.05 -0.39 1.83 1.43 -1.26 -1.36 118.68 123.80 1k73 s LEU 118 Ca 0.27 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 1k73 s LEU 118 Cb -0.14 -1.25 0.10 0.00 0.03 0.00 0.00 46.19 44.93 1k73 s LEU 118 CO 0.15 0.30 0.17 -0.89 0.23 0.00 0.00 176.35 176.30 1k73 s THR 119 N -0.56 3.20 -0.16 5.49 2.01 -0.30 -0.78 115.64 124.54 1k73 s THR 119 Ca 0.09 -1.96 -0.08 0.00 0.31 0.00 0.00 61.69 60.06 1k73 s THR 119 Cb -0.09 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 1k73 s THR 119 CO -0.01 -0.59 0.10 -0.76 -0.69 0.00 0.00 174.62 172.67 1k73 s LEU 120 N 1.15 4.10 -0.19 4.42 1.43 -0.54 -1.72 118.68 127.33 1k73 s LEU 120 Ca 0.06 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1k73 s LEU 120 Cb -0.22 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1k73 s LEU 120 CO -0.04 0.27 -0.17 -0.63 0.23 0.00 0.00 176.35 176.01 1k73 s ILE 121 N -0.18 2.27 0.30 -0.59 1.01 -1.02 0.56 121.20 123.55 1k73 s ILE 121 Ca 0.09 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1k73 s ILE 121 Cb -0.12 -2.00 0.01 0.00 0.01 0.00 0.00 42.46 40.36 1k73 s ILE 121 CO 0.01 0.46 0.53 0.00 0.00 0.00 0.00 174.94 175.94 1k73 s ALA 122 N 1.30 -0.02 -0.42 9.38 0.00 -1.07 -0.98 121.76 129.95 1k73 s ALA 122 Ca 0.04 -1.05 0.23 0.00 0.00 0.00 0.00 51.96 51.18 1k73 s ALA 122 Cb -0.14 1.04 0.30 0.00 0.00 0.00 0.00 23.12 24.32 1k73 s ALA 122 CO -0.11 -0.86 1.52 -0.44 0.00 0.00 0.00 175.76 175.88 1k73 h ASP 123 N 2.17 0.00 -4.62 0.00 3.32 -1.64 -1.28 116.42 114.36 1k73 h ASP 123 Ca -0.27 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.84 1k73 h ASP 123 Cb 1.25 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.63 1k73 h ASP 123 CO 0.37 0.00 0.43 -0.62 -1.72 0.00 0.00 179.24 177.70 1k73 s ASP 124 N -6.01 -0.43 0.09 6.45 2.15 -0.95 -4.09 116.67 113.88 1k73 s ASP 124 Ca 0.06 0.18 -0.04 0.00 0.43 0.00 0.00 52.55 53.17 1k73 s ASP 124 Cb 0.06 0.41 -0.02 0.00 -0.30 0.00 0.00 42.92 43.07 1k73 s ASP 124 CO 0.69 -0.61 0.09 -0.36 -0.17 0.00 0.00 175.17 174.81 1k73 s PHE 125 N -2.52 0.44 0.18 -5.34 0.40 -1.26 -0.64 117.98 109.24 1k73 s PHE 125 Ca 0.01 -0.91 0.05 0.00 -0.60 0.00 0.00 56.93 55.48 1k73 s PHE 125 Cb -0.01 -0.26 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 1k73 s PHE 125 CO -0.05 -0.49 0.19 -1.54 0.70 0.00 0.00 175.22 174.03 1k73 s SER 126 N -2.93 5.71 0.16 1.36 1.04 -1.12 -4.95 113.70 112.97 1k73 s SER 126 Ca 0.10 -0.09 -0.27 0.00 0.48 0.00 0.00 55.95 56.18 1k73 s SER 126 Cb 0.06 -1.54 0.01 0.00 0.10 0.00 0.00 66.02 64.65 1k73 s SER 126 CO -0.07 0.04 1.57 -0.33 0.98 0.00 0.00 173.24 175.42 1k73 h GLU 127 N 2.11 -0.28 -0.96 4.02 5.08 -2.00 -0.78 114.58 121.77 1k73 h GLU 127 Ca -0.48 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.11 1k73 h GLU 127 Cb 1.21 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.41 1k73 h GLU 127 CO 0.63 -0.19 0.53 0.78 -1.00 0.00 0.00 179.01 179.77 1k73 h GLY 128 N -0.29 1.73 0.92 -3.84 0.00 -1.95 0.48 103.07 100.11 1k73 h GLY 128 Ca 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1k73 h GLY 128 CO -0.62 -0.18 0.06 0.00 0.00 0.00 0.00 176.54 175.80 1k73 h ALA 129 N 1.68 0.48 0.45 3.60 0.00 -1.44 -1.84 119.26 122.19 1k73 h ALA 129 Ca 0.59 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1k73 h ALA 129 Cb 1.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1k73 h ALA 129 CO -0.45 0.18 -0.22 0.00 0.00 0.00 0.00 179.25 178.76 1k73 h ARG 130 N 0.44 -0.58 -0.65 0.00 3.08 -0.12 -1.08 114.38 115.47 1k73 h ARG 130 Ca 0.11 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.34 1k73 h ARG 130 Cb 0.35 0.13 -0.11 0.00 0.08 0.00 0.00 29.97 30.42 1k73 h ARG 130 CO 0.01 -0.28 0.00 0.93 -1.07 0.00 0.00 179.97 179.55 1k73 h GLU 131 N -0.86 0.11 -0.23 0.04 5.08 -1.01 -0.29 114.58 117.43 1k73 h GLU 131 Ca -0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1k73 h GLU 131 Cb 0.57 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1k73 h GLU 131 CO 0.10 0.07 0.08 0.87 -1.00 0.00 0.00 179.01 179.14 1k73 h LYS 132 N 0.11 0.35 0.00 2.33 1.57 -1.27 0.16 116.57 119.82 1k73 h LYS 132 Ca 0.34 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1k73 h LYS 132 Cb 0.57 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1k73 h LYS 132 CO -0.56 0.41 -0.18 0.28 -0.57 0.00 0.00 179.45 178.83 1k73 h VAL 133 N 0.21 0.90 0.14 0.50 2.07 -0.07 -2.56 116.25 117.43 1k73 h VAL 133 Ca 0.08 -0.67 -0.30 0.00 0.82 0.00 0.00 66.70 66.62 1k73 h VAL 133 Cb 0.20 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1k73 h VAL 133 CO -0.00 0.18 -1.55 -0.33 0.02 0.00 0.00 177.57 175.88 1k73 h GLU 134 N 0.00 0.29 -0.14 1.57 5.08 -0.94 0.66 114.58 121.10 1k73 h GLU 134 Ca -0.00 -0.50 0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1k73 h GLU 134 Cb 0.37 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1k73 h GLU 134 CO 0.02 1.24 0.31 0.78 -1.00 0.00 0.00 179.01 180.36 1k73 h GLY 135 N 0.31 0.00 -3.88 -3.84 0.00 -0.43 0.55 103.07 95.78 1k73 h GLY 135 Ca -0.32 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.60 1k73 h GLY 135 CO 0.10 0.00 0.52 0.00 0.00 0.00 0.00 176.54 177.16 1k73 n ALA 136 N -2.11 5.25 -3.30 3.60 0.00 -0.99 -4.87 120.51 118.09 1k73 n ALA 136 Ca 0.01 -2.71 -0.17 0.00 0.00 0.00 0.00 53.44 50.56 1k73 n ALA 136 Cb 0.41 -1.37 0.07 0.00 0.00 0.00 0.00 19.45 18.55 1k73 n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k73 n GLY 137 N -0.80 -0.23 3.70 0.00 0.00 0.19 -3.66 105.19 104.39 1k73 n GLY 137 Ca 0.53 0.04 -0.31 0.00 0.00 0.00 0.00 46.02 46.28 1k73 n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k73 s GLY 138 N -3.50 2.96 0.05 -0.02 0.00 0.22 -4.50 107.32 102.54 1k73 s GLY 138 Ca 0.33 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.57 1k73 s GLY 138 CO 0.58 -2.10 -0.04 -1.35 0.00 0.00 0.00 173.10 170.19 1k73 s SER 139 N -3.82 0.53 -0.17 1.64 1.04 0.04 -3.95 113.70 109.00 1k73 s SER 139 Ca 0.09 -0.88 0.01 0.00 0.48 0.00 0.00 55.95 55.64 1k73 s SER 139 Cb 0.01 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.32 1k73 s SER 139 CO 0.05 -0.51 -0.13 -0.69 0.98 0.00 0.00 173.24 172.95 1k73 s VAL 140 N -3.27 1.64 -0.21 5.02 1.01 -1.26 -1.47 120.40 121.86 1k73 s VAL 140 Ca 0.02 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 1k73 s VAL 140 Cb 0.03 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 1k73 s VAL 140 CO -0.07 0.33 0.07 -1.61 0.00 0.00 0.00 175.10 173.83 1k73 s GLU 141 N 1.43 3.86 -0.13 2.72 2.02 0.19 -4.97 118.70 123.84 1k73 s GLU 141 Ca 0.02 -0.39 -0.24 0.00 0.02 0.00 0.00 54.97 54.38 1k73 s GLU 141 Cb -0.14 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.78 1k73 s GLU 141 CO -0.10 0.09 0.74 -1.17 0.02 0.00 0.00 175.26 174.84 1k73 s LEU 142 N 0.89 4.24 1.25 1.80 2.96 -1.26 -2.60 118.68 125.95 1k73 s LEU 142 Ca 0.04 1.13 -0.16 0.00 -0.22 0.00 0.00 54.13 54.91 1k73 s LEU 142 Cb -0.14 -3.11 0.31 0.00 0.50 0.00 0.00 46.19 43.75 1k73 s LEU 142 CO 0.03 -0.25 1.00 -0.89 -1.32 0.00 0.00 176.35 174.92 1k73 s THR 143 N 1.49 1.72 0.22 3.68 2.01 -0.48 -4.78 115.64 119.50 1k73 s THR 143 Ca 0.36 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 1k73 s THR 143 Cb -0.17 -2.11 0.05 0.00 0.01 0.00 0.00 72.50 70.28 1k73 s THR 143 CO 0.15 0.00 1.66 0.44 -0.69 0.00 0.00 174.62 176.18 1k73 h ASP 144 N -2.88 0.79 0.00 3.53 3.32 -1.97 0.21 116.42 119.42 1k73 h ASP 144 Ca -0.55 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.17 1k73 h ASP 144 Cb 1.34 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1k73 h ASP 144 CO 0.43 0.95 -0.17 0.25 -1.72 0.00 0.00 179.24 178.98 1k73 h LEU 145 N 0.70 0.31 -0.55 1.55 6.46 -1.93 0.71 115.31 122.57 1k73 h LEU 145 Ca 0.11 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1k73 h LEU 145 Cb 0.66 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1k73 h LEU 145 CO 0.05 0.51 0.00 0.61 -0.62 0.00 0.00 178.44 178.99 1k73 n GLY 146 N -0.68 -0.74 1.53 3.75 0.00 0.03 -2.88 105.19 106.20 1k73 n GLY 146 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1k73 n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k73 n GLU 147 N -1.82 0.79 -2.67 1.61 1.02 0.24 -3.98 120.64 115.83 1k73 n GLU 147 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 1k73 n GLU 147 Cb 0.05 -1.11 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1k73 n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1k73 n GLU 148 N 1.49 3.09 -3.52 3.49 1.02 -1.14 -4.93 120.64 120.14 1k73 n GLU 148 Ca 0.00 -4.48 -0.27 0.00 -0.02 0.00 0.00 57.16 52.39 1k73 n GLU 148 Cb 0.39 -2.15 -0.09 0.00 -0.02 0.00 0.00 31.44 29.57 1k73 n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k73 n ARG 149 N -0.34 1.71 0.00 3.49 1.74 -1.26 -5.20 116.66 116.80 1k73 n ARG 149 Ca 0.34 -4.18 0.00 0.00 -0.77 0.00 0.00 57.85 53.24 1k73 n ARG 149 Cb 0.59 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1k73 n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05