#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m s SER 2 N 0.00 5.79 0.11 8.00 1.04 -1.26 -5.00 113.70 122.38 1k9m s SER 2 Ca 0.00 0.20 -0.21 0.00 0.48 0.00 0.00 55.95 56.42 1k9m s SER 2 Cb 0.00 -1.43 -0.10 0.00 0.10 0.00 0.00 66.02 64.59 1k9m s SER 2 CO 0.00 -0.71 1.74 0.50 0.98 0.00 0.00 173.24 175.75 1k9m h LYS 3 N 0.42 0.06 -0.49 4.02 3.64 -2.07 -2.14 116.57 120.01 1k9m h LYS 3 Ca -0.46 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1k9m h LYS 3 Cb 1.26 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 1k9m h LYS 3 CO 0.56 0.04 0.18 0.87 -2.27 0.00 0.00 179.45 178.83 1k9m h LYS 4 N 0.07 0.35 -0.53 1.90 1.57 -2.02 -0.79 116.57 117.11 1k9m h LYS 4 Ca 0.04 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 1k9m h LYS 4 Cb 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1k9m h LYS 4 CO -0.05 0.23 0.44 -0.22 -0.57 0.00 0.00 179.45 179.28 1k9m h LYS 5 N 0.36 0.00 -0.01 3.15 1.63 -1.79 -1.16 116.57 118.75 1k9m h LYS 5 Ca 0.23 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1k9m h LYS 5 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1k9m h LYS 5 CO -0.24 0.00 -0.01 0.54 -3.45 0.00 0.00 179.45 176.29 1k9m n ARG 6 N -4.07 1.57 0.17 1.90 1.74 -0.31 -4.27 116.66 113.39 1k9m n ARG 6 Ca 0.10 -0.86 0.05 0.00 -0.77 0.00 0.00 57.85 56.36 1k9m n ARG 6 Cb 0.66 -1.48 0.25 0.00 -1.02 0.00 0.00 32.46 30.86 1k9m n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1k9m h GLN 7 N 2.11 0.00 -5.67 5.56 1.08 -1.16 -3.45 115.11 113.58 1k9m h GLN 7 Ca 0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1k9m h GLN 7 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1k9m h GLN 7 CO 0.00 0.42 1.59 0.54 -0.95 0.00 0.00 178.83 180.44 1k9m n ARG 8 N -3.44 1.12 0.00 1.46 5.12 -1.26 -1.13 116.66 118.52 1k9m n ARG 8 Ca 0.00 0.15 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1k9m n ARG 8 Cb 0.58 -3.05 0.00 0.00 -1.16 0.00 0.00 32.46 28.83 1k9m n ARG 8 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k9m n GLY 9 N 6.09 1.49 0.03 -0.13 0.00 -1.26 -4.96 105.19 106.44 1k9m n GLY 9 Ca 0.39 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.54 1k9m n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k9m n SER 10 N 0.00 0.44 0.00 1.61 3.41 -0.29 -4.96 113.62 113.83 1k9m n SER 10 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1k9m n SER 10 Cb 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 1k9m n SER 10 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1k9m n ARG 11 N -1.73 0.00 0.00 4.33 0.63 -1.26 -4.18 116.66 114.45 1k9m n ARG 11 Ca 0.05 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.11 1k9m n ARG 11 Cb 0.37 0.00 0.26 0.00 0.45 0.00 0.00 32.46 33.54 1k9m n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1k9m n THR 12 N 0.00 0.00 -4.00 5.15 -2.24 -1.26 -4.97 114.28 106.96 1k9m n THR 12 Ca 0.00 -0.08 -0.31 0.00 -2.27 0.00 0.00 64.05 61.39 1k9m n THR 12 Cb 0.00 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1k9m n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1k9m n HIS 13 N -1.01 -2.09 -1.23 4.78 8.25 -1.26 -1.71 115.22 120.95 1k9m n HIS 13 Ca 0.09 0.87 -0.08 0.00 -0.26 0.00 0.00 57.72 58.33 1k9m n HIS 13 Cb 0.35 -3.68 -0.03 0.00 1.12 0.00 0.00 29.99 27.75 1k9m n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k9m n GLY 14 N -1.61 0.99 1.08 -1.41 0.00 -1.26 -4.90 105.19 98.08 1k9m n GLY 14 Ca 0.02 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1k9m n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 15 N -1.88 1.56 7.00 -0.02 0.00 -0.69 -5.06 105.19 106.10 1k9m n GLY 15 Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1k9m n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 16 N 1.46 0.22 3.56 -0.02 0.00 -1.26 -4.71 105.19 104.44 1k9m n GLY 16 Ca 0.19 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.80 1k9m n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k9m n SER 17 N 1.37 0.92 0.00 1.61 2.88 -1.26 -4.79 113.62 114.34 1k9m n SER 17 Ca 0.00 1.16 0.05 0.00 -1.33 0.00 0.00 58.87 58.75 1k9m n SER 17 Cb 0.00 -1.22 0.25 0.00 -0.75 0.00 0.00 64.21 62.49 1k9m n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1k9m n HIS 18 N 0.47 0.00 0.86 0.66 -0.00 -1.26 -1.49 115.22 114.46 1k9m n HIS 18 Ca 0.12 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.95 1k9m n HIS 18 Cb 0.29 -0.18 0.30 0.00 -0.00 0.00 0.00 29.99 30.40 1k9m n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1k9m n LYS 19 N -1.18 2.02 -0.04 -1.40 5.02 -1.26 -4.56 118.16 116.76 1k9m n LYS 19 Ca 0.05 -1.54 -0.02 0.00 -2.02 0.00 0.00 58.31 54.79 1k9m n LYS 19 Cb 0.06 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 1k9m n LYS 19 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 1k9m h ASN 20 N 2.98 0.00 -0.01 4.39 2.35 -1.55 -3.43 115.58 120.31 1k9m h ASN 20 Ca 0.00 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.10 1k9m h ASN 20 Cb 0.66 0.00 0.04 0.00 0.05 0.00 0.00 38.32 39.07 1k9m h ASN 20 CO 0.00 0.40 2.35 0.54 -1.65 0.00 0.00 177.43 179.07 1k9m n ARG 21 N -3.77 1.62 0.00 0.81 1.74 -1.26 -4.75 116.66 111.05 1k9m n ARG 21 Ca -0.02 -1.92 0.00 0.00 -0.77 0.00 0.00 57.85 55.14 1k9m n ARG 21 Cb 0.09 -2.96 0.00 0.00 -1.02 0.00 0.00 32.46 28.56 1k9m n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1k9m n ARG 22 N 6.96 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 124.51 1k9m n ARG 22 Ca 0.50 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1k9m n ARG 22 Cb 0.40 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 1k9m n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 23 N 5.00 0.25 0.00 -0.13 0.00 -1.26 -4.91 105.19 104.14 1k9m n GLY 23 Ca 0.00 -1.78 0.05 0.00 0.00 0.00 0.00 46.02 44.29 1k9m n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m n ALA 24 N -3.00 1.67 0.05 4.61 0.00 -1.26 -2.40 120.51 120.17 1k9m n ALA 24 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.40 1k9m n ALA 24 Cb 0.00 -1.15 0.33 0.00 0.00 0.00 0.00 19.45 18.63 1k9m n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1k9m h GLY 25 N 1.53 0.43 1.57 0.00 0.00 -1.91 0.86 103.07 105.56 1k9m h GLY 25 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1k9m h GLY 25 CO 0.00 0.25 0.00 1.57 0.00 0.00 0.00 176.54 178.36 1k9m n HIS 26 N -4.27 0.00 0.05 5.60 -0.00 -1.01 -2.55 115.22 113.03 1k9m n HIS 26 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.74 1k9m n HIS 26 Cb 0.26 -0.29 0.03 0.00 -0.00 0.00 0.00 29.99 29.99 1k9m n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1k9m n ARG 27 N -1.29 1.02 -2.60 1.57 1.74 -0.40 -4.98 116.66 111.72 1k9m n ARG 27 Ca 0.12 -1.12 -0.14 0.00 -0.77 0.00 0.00 57.85 55.94 1k9m n ARG 27 Cb 0.20 -1.06 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 1k9m n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 28 N -0.01 -0.12 0.00 -0.13 0.00 -0.78 -4.83 105.19 99.31 1k9m n GLY 28 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1k9m n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9m n GLY 29 N -1.18 2.83 3.75 -0.02 0.00 0.16 -4.60 105.19 106.14 1k9m n GLY 29 Ca -0.10 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 1k9m n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9m s ARG 30 N -3.10 4.61 4.64 1.61 6.06 -1.26 -4.69 118.95 126.82 1k9m s ARG 30 Ca 0.00 1.79 0.00 0.00 -2.50 0.00 0.00 55.73 55.02 1k9m s ARG 30 Cb 0.00 -3.22 0.00 0.00 0.06 0.00 0.00 34.95 31.79 1k9m s ARG 30 CO 0.00 0.14 0.00 0.41 -2.50 0.00 0.00 175.30 173.35 1k9m n GLY 31 N 1.54 3.23 0.90 8.12 0.00 -1.26 -1.91 105.19 115.80 1k9m n GLY 31 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1k9m n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k9m n ASP 32 N 3.84 2.34 -4.66 1.61 8.00 -1.26 -4.92 116.55 121.50 1k9m n ASP 32 Ca 0.00 -2.26 -0.47 0.00 0.71 0.00 0.00 54.79 52.77 1k9m n ASP 32 Cb 0.00 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.50 1k9m n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9m n ALA 33 N 0.17 1.08 -0.69 2.24 0.00 -0.80 -2.04 120.51 120.47 1k9m n ALA 33 Ca 0.08 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1k9m n ALA 33 Cb 0.52 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1k9m n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 34 N 3.30 0.73 0.02 0.00 0.00 -1.26 -4.75 105.19 103.23 1k9m n GLY 34 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 1k9m n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k9m n ARG 35 N -2.41 0.02 -0.00 1.61 -4.01 -0.86 -0.61 116.66 110.38 1k9m n ARG 35 Ca 0.00 0.46 0.00 0.00 -1.04 0.00 0.00 57.85 57.28 1k9m n ARG 35 Cb 0.00 -1.63 -0.01 0.00 -3.04 0.00 0.00 32.46 27.79 1k9m n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 1k9m n ASP 36 N -1.54 0.53 0.00 2.89 5.75 -1.26 -3.90 116.55 119.02 1k9m n ASP 36 Ca -0.00 -0.47 0.00 0.00 -0.01 0.00 0.00 54.79 54.31 1k9m n ASP 36 Cb 0.07 1.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.17 1k9m n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1k9m n LYS 37 N -1.08 0.00 0.18 0.11 4.76 0.21 -4.77 118.16 117.58 1k9m n LYS 37 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1k9m n LYS 37 Cb 0.02 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 33.53 1k9m n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 1k9m h HIS 38 N 0.00 0.00 -0.99 2.13 2.07 -1.92 -3.32 115.15 113.12 1k9m h HIS 38 Ca 0.00 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.06 1k9m h HIS 38 Cb 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 27.41 29.57 1k9m h HIS 38 CO 0.00 0.00 -0.93 0.39 -3.07 0.00 0.00 177.93 174.32 1k9m n GLU 39 N -2.77 2.68 0.13 5.12 1.02 -0.11 -4.81 120.64 121.89 1k9m n GLU 39 Ca 0.04 -3.96 -0.02 0.00 -0.02 0.00 0.00 57.16 53.20 1k9m n GLU 39 Cb 0.45 -1.92 0.18 0.00 -0.02 0.00 0.00 31.44 30.14 1k9m n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1k9m h PHE 40 N 2.56 0.06 -1.35 -0.32 -5.15 -1.65 -3.36 116.94 107.73 1k9m h PHE 40 Ca 0.15 -0.02 -0.73 0.00 -0.20 0.00 0.00 57.97 57.16 1k9m h PHE 40 Cb 1.21 -0.01 0.05 0.00 0.22 0.00 0.00 35.95 37.42 1k9m h PHE 40 CO 0.70 0.62 0.28 0.72 -2.00 0.00 0.00 178.31 178.63 1k9m n HIS 41 N -3.86 1.12 -3.01 6.09 -0.00 -1.26 -2.39 115.22 111.91 1k9m n HIS 41 Ca -0.01 0.84 -0.20 0.00 -0.00 0.00 0.00 57.72 58.34 1k9m n HIS 41 Cb 0.59 -2.22 0.04 0.00 -0.00 0.00 0.00 29.99 28.40 1k9m n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1k9m n ASN 42 N 2.11 -5.72 -4.05 0.41 5.03 -1.26 -5.01 115.26 106.77 1k9m n ASN 42 Ca 0.19 -0.29 -0.25 0.00 0.87 0.00 0.00 54.58 55.10 1k9m n ASN 42 Cb 0.14 -4.52 -0.17 0.00 -1.02 0.00 0.00 39.78 34.21 1k9m n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1k9m s HIS 43 N -3.14 1.59 0.40 3.10 3.76 -1.00 -5.10 115.29 114.90 1k9m s HIS 43 Ca 0.31 -0.60 -0.27 0.00 -0.15 0.00 0.00 55.06 54.35 1k9m s HIS 43 Cb -0.14 -1.15 -0.10 0.00 1.11 0.00 0.00 32.58 32.30 1k9m s HIS 43 CO 0.38 -0.29 1.37 0.39 -0.85 0.00 0.00 174.74 175.74 1k9m n GLU 44 N 3.78 2.25 -0.75 1.40 1.02 -1.26 -4.91 120.64 122.17 1k9m n GLU 44 Ca -0.22 0.80 -0.34 0.00 -0.02 0.00 0.00 57.16 57.38 1k9m n GLU 44 Cb 0.52 -2.51 0.14 0.00 -0.02 0.00 0.00 31.44 29.57 1k9m n GLU 44 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1k9m n PRO 45 N 0.19 -1.07 -2.89 3.49 -0.04 -1.26 -4.98 135.00 128.43 1k9m n PRO 45 Ca 0.04 -0.29 -0.29 0.00 -0.04 0.00 0.00 63.50 62.92 1k9m n PRO 45 Cb 0.39 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.23 1k9m n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1k9m s LEU 46 N 0.42 3.82 0.00 1.53 1.43 -1.26 -5.04 118.68 119.57 1k9m s LEU 46 Ca 0.53 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1k9m s LEU 46 Cb -0.11 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1k9m s LEU 46 CO 0.67 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1k9m n GLY 47 N -1.53 2.92 3.83 -3.19 0.00 -1.26 -5.10 105.19 100.87 1k9m n GLY 47 Ca 0.01 -1.86 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 1k9m n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9m s LYS 48 N -1.94 3.02 -0.18 1.61 1.02 -1.26 -5.12 119.74 116.89 1k9m s LYS 48 Ca 0.00 -0.84 -0.08 0.00 0.02 0.00 0.00 55.97 55.06 1k9m s LYS 48 Cb 0.00 -2.70 0.07 0.00 -0.52 0.00 0.00 37.83 34.68 1k9m s LYS 48 CO 0.00 0.48 0.41 0.45 -0.92 0.00 0.00 175.35 175.77 1k9m s SER 49 N -3.26 -0.42 0.61 2.83 0.15 -1.26 -5.14 113.70 107.22 1k9m s SER 49 Ca 0.32 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1k9m s SER 49 Cb -0.10 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 1k9m s SER 49 CO 0.25 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1k9m n GLY 50 N 4.61 0.20 3.59 9.45 0.00 -1.26 -5.00 105.19 116.79 1k9m n GLY 50 Ca -0.19 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1k9m n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1k9m s PHE 51 N 0.00 0.78 0.02 1.61 -0.12 -1.26 -5.18 117.98 113.84 1k9m s PHE 51 Ca 0.00 -1.15 0.02 0.00 -0.05 0.00 0.00 56.93 55.75 1k9m s PHE 51 Cb 0.00 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.58 1k9m s PHE 51 CO 0.00 -1.28 -0.06 0.15 -0.05 0.00 0.00 175.22 173.98 1k9m s LYS 52 N -2.80 0.47 0.11 1.99 1.02 -1.26 -5.14 119.74 114.13 1k9m s LYS 52 Ca 0.26 -0.54 -0.11 0.00 0.02 0.00 0.00 55.97 55.60 1k9m s LYS 52 Cb -0.02 -0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 36.93 1k9m s LYS 52 CO 0.18 0.06 0.45 1.03 -0.92 0.00 0.00 175.35 176.15 1k9m s ARG 53 N -1.05 3.82 0.24 1.68 0.52 -1.26 -5.02 118.95 117.89 1k9m s ARG 53 Ca -0.06 0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 55.12 1k9m s ARG 53 Cb -0.07 -2.96 -0.15 0.00 0.52 0.00 0.00 34.95 32.29 1k9m s ARG 53 CO 0.00 0.52 1.03 -0.35 0.02 0.00 0.00 175.30 176.52 1k9m n PRO 54 N 0.81 1.19 -0.35 3.54 -0.04 -1.26 -4.84 135.00 134.05 1k9m n PRO 54 Ca -0.07 0.42 0.25 0.00 -0.04 0.00 0.00 63.50 64.06 1k9m n PRO 54 Cb 0.52 -1.81 0.51 0.00 -0.04 0.00 0.00 33.50 32.69 1k9m n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1k9m h GLN 55 N 2.42 0.35 -0.51 0.54 4.20 -1.98 -0.60 115.11 119.53 1k9m h GLN 55 Ca -0.40 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1k9m h GLN 55 Cb 1.35 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.05 1k9m h GLN 55 CO 0.64 0.23 0.00 0.36 -0.67 0.00 0.00 178.83 179.39 1k9m n LYS 56 N -4.71 2.09 -0.06 1.46 2.85 -1.26 -3.06 118.16 115.47 1k9m n LYS 56 Ca 0.28 -1.22 0.02 0.00 -1.05 0.00 0.00 58.31 56.35 1k9m n LYS 56 Cb 0.96 -1.47 0.06 0.00 -0.65 0.00 0.00 35.03 33.93 1k9m n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1k9m n VAL 57 N 0.37 0.78 -3.82 0.58 0.31 -0.23 -4.99 118.33 111.32 1k9m n VAL 57 Ca 0.11 -0.89 -0.36 0.00 -0.01 0.00 0.00 64.34 63.19 1k9m n VAL 57 Cb 0.41 0.63 -0.07 0.00 -0.91 0.00 0.00 33.84 33.91 1k9m n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1k9m s GLN 58 N -0.87 3.72 -0.14 5.55 -0.21 -1.17 -5.01 119.66 121.53 1k9m s GLN 58 Ca 0.09 -0.15 -0.03 0.00 0.02 0.00 0.00 55.36 55.29 1k9m s GLN 58 Cb 0.05 -3.27 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 1k9m s GLN 58 CO 0.07 0.60 -0.05 -1.21 -2.12 0.00 0.00 175.29 172.58 1k9m s GLU 59 N -0.52 3.50 -0.32 2.91 2.02 -1.26 -5.07 118.70 119.96 1k9m s GLU 59 Ca 0.13 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.52 1k9m s GLU 59 Cb -0.12 -2.83 0.04 0.00 0.10 0.00 0.00 34.13 31.32 1k9m s GLU 59 CO 0.02 0.30 0.06 -2.00 0.02 0.00 0.00 175.26 173.67 1k9m s GLU 60 N 0.17 2.66 0.02 1.61 2.12 -1.26 -4.98 118.70 119.03 1k9m s GLU 60 Ca -0.03 -1.14 -0.27 0.00 0.36 0.00 0.00 54.97 53.89 1k9m s GLU 60 Cb -0.14 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1k9m s GLU 60 CO 0.03 -0.60 0.86 0.00 -0.54 0.00 0.00 175.26 175.01 1k9m s ALA 61 N 1.37 3.26 -0.46 6.30 0.00 -1.26 -0.61 121.76 130.36 1k9m s ALA 61 Ca -0.02 0.39 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 1k9m s ALA 61 Cb -0.19 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 19.80 1k9m s ALA 61 CO 0.01 -0.10 0.69 0.00 0.00 0.00 0.00 175.76 176.36 1k9m s ALA 62 N 0.53 3.33 0.32 0.00 0.00 0.95 -4.93 121.76 121.96 1k9m s ALA 62 Ca 0.45 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 51.19 1k9m s ALA 62 Cb -0.21 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1k9m s ALA 62 CO 0.25 -1.90 0.37 0.95 0.00 0.00 0.00 175.76 175.42 1k9m s THR 63 N 2.95 3.93 -0.28 0.00 -4.23 -1.26 -0.32 115.64 116.44 1k9m s THR 63 Ca 0.23 -1.19 -0.24 0.00 -1.18 0.00 0.00 61.69 59.31 1k9m s THR 63 Cb -0.15 -3.34 0.10 0.00 1.34 0.00 0.00 72.50 70.46 1k9m s THR 63 CO 0.18 -0.19 0.87 -0.51 -0.54 0.00 0.00 174.62 174.44 1k9m s ILE 64 N -2.22 0.00 0.03 2.99 2.07 -0.83 -4.94 121.20 118.31 1k9m s ILE 64 Ca 0.42 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.50 1k9m s ILE 64 Cb -0.08 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.45 1k9m s ILE 64 CO 0.29 0.00 0.46 -1.81 -1.91 0.00 0.00 174.94 171.97 1k9m s ASP 65 N 0.48 6.89 0.37 4.50 1.01 -1.26 0.17 116.67 128.84 1k9m s ASP 65 Ca 0.00 1.06 0.19 0.00 0.71 0.00 0.00 52.55 54.50 1k9m s ASP 65 Cb -0.05 -2.28 1.16 0.00 1.01 0.00 0.00 42.92 42.75 1k9m s ASP 65 CO -0.05 0.30 1.68 -0.37 0.21 0.00 0.00 175.17 176.94 1k9m h VAL 66 N 3.61 0.32 -0.96 -1.27 -1.51 -1.17 0.32 116.25 115.59 1k9m h VAL 66 Ca -0.51 -0.10 0.21 0.00 -1.23 0.00 0.00 66.70 65.07 1k9m h VAL 66 Cb 1.22 -0.01 -0.08 0.00 -2.13 0.00 0.00 31.29 30.29 1k9m h VAL 66 CO 0.62 0.05 0.62 -0.09 -1.23 0.00 0.00 177.57 177.54 1k9m h ARG 67 N 0.30 0.51 0.02 5.19 2.43 -1.62 0.23 114.38 121.45 1k9m h ARG 67 Ca 0.72 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.86 1k9m h ARG 67 Cb 1.81 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 1k9m h ARG 67 CO -0.49 0.34 -0.01 1.49 -1.51 0.00 0.00 179.97 179.79 1k9m h GLU 68 N 0.53 -0.02 0.35 0.20 4.81 -0.66 -0.90 114.58 118.89 1k9m h GLU 68 Ca 0.53 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 1k9m h GLU 68 Cb 1.14 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1k9m h GLU 68 CO -0.26 0.56 -0.45 0.82 -0.73 0.00 0.00 179.01 178.96 1k9m h ILE 69 N -0.63 0.00 -0.67 2.32 2.04 -1.35 -2.95 117.51 116.28 1k9m h ILE 69 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1k9m h ILE 69 Cb 0.60 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.58 1k9m h ILE 69 CO 0.00 0.00 0.17 -0.78 0.00 0.00 0.00 178.15 177.54 1k9m h ASP 70 N -0.82 0.05 0.27 1.72 3.58 -0.65 -1.30 116.42 119.27 1k9m h ASP 70 Ca -0.04 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1k9m h ASP 70 Cb 0.74 0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.94 1k9m h ASP 70 CO -0.11 0.01 0.00 -0.62 -2.88 0.00 0.00 179.24 175.65 1k9m n GLU 71 N -5.12 0.13 -0.58 0.28 1.02 -0.34 -2.60 120.64 113.43 1k9m n GLU 71 Ca 0.11 0.53 0.06 0.00 -0.02 0.00 0.00 57.16 57.84 1k9m n GLU 71 Cb 0.38 -1.85 0.13 0.00 -0.02 0.00 0.00 31.44 30.07 1k9m n GLU 71 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1k9m n ASN 72 N -2.11 1.54 0.38 1.62 3.02 -0.52 -4.83 115.26 114.36 1k9m n ASN 72 Ca 0.00 -3.05 -0.19 0.00 -0.03 0.00 0.00 54.58 51.31 1k9m n ASN 72 Cb 0.10 -0.41 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 1k9m n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1k9m h VAL 73 N 2.60 0.07 -0.75 2.41 -1.51 -1.23 -0.49 116.25 117.35 1k9m h VAL 73 Ca -0.04 0.00 0.14 0.00 -1.23 0.00 0.00 66.70 65.57 1k9m h VAL 73 Cb 1.21 0.07 -0.09 0.00 -2.13 0.00 0.00 31.29 30.36 1k9m h VAL 73 CO 0.02 0.00 0.30 0.71 -1.23 0.00 0.00 177.57 177.37 1k9m h THR 74 N -1.09 0.67 0.00 7.19 1.35 -1.88 0.77 112.91 119.92 1k9m h THR 74 Ca -0.09 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1k9m h THR 74 Cb 0.89 0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1k9m h THR 74 CO 0.06 0.08 -0.06 -0.07 -0.25 0.00 0.00 175.52 175.29 1k9m h LEU 75 N 0.45 0.00 -4.13 3.87 3.38 -1.80 -2.85 115.31 114.23 1k9m h LEU 75 Ca 0.41 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 58.00 1k9m h LEU 75 Cb 0.60 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.21 1k9m h LEU 75 CO -0.39 0.06 0.22 0.18 0.09 0.00 0.00 178.44 178.59 1k9m n LEU 76 N -3.53 6.16 -0.24 1.67 4.77 0.26 -4.62 117.00 121.48 1k9m n LEU 76 Ca -0.02 -3.65 0.32 0.00 -0.03 0.00 0.00 56.01 52.63 1k9m n LEU 76 Cb 0.17 -1.23 0.73 0.00 -2.33 0.00 0.00 43.42 40.76 1k9m n LEU 76 CO 0.27 1.59 1.29 0.00 -1.33 0.00 0.00 177.39 179.21 1k9m h ALA 77 N 2.59 2.94 -0.25 -1.18 0.00 -1.65 -0.76 119.26 120.94 1k9m h ALA 77 Ca 0.31 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 1k9m h ALA 77 Cb 0.94 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 1k9m h ALA 77 CO 0.68 -1.34 0.16 0.00 0.00 0.00 0.00 179.25 178.75 1k9m n ALA 78 N -2.66 5.03 -3.65 0.00 0.00 -1.26 -4.75 120.51 113.22 1k9m n ALA 78 Ca 0.22 -1.24 -0.02 0.00 0.00 0.00 0.00 53.44 52.39 1k9m n ALA 78 Cb 1.15 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.11 1k9m n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1k9m s ASP 79 N 1.09 -1.06 0.00 0.00 1.01 -0.29 -5.16 116.67 112.26 1k9m s ASP 79 Ca 0.28 1.52 0.00 0.00 0.71 0.00 0.00 52.55 55.06 1k9m s ASP 79 Cb 0.18 2.15 0.00 0.00 1.01 0.00 0.00 42.92 46.26 1k9m s ASP 79 CO -0.03 -0.22 0.00 0.47 0.21 0.00 0.00 175.17 175.60 1k9m n ASP 80 N 5.35 0.00 -4.09 0.27 9.92 -1.25 -4.78 116.55 121.97 1k9m n ASP 80 Ca -0.12 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 53.91 1k9m n ASP 80 Cb 0.50 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.83 1k9m n ASP 80 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1k9m s VAL 81 N 0.00 1.08 0.00 2.53 1.01 -1.26 -2.53 120.40 121.23 1k9m s VAL 81 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1k9m s VAL 81 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.47 1k9m s VAL 81 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 175.10 175.41 1k9m n ALA 82 N 2.88 0.00 0.30 5.51 0.00 -1.26 -4.91 120.51 123.03 1k9m n ALA 82 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.30 1k9m n ALA 82 Cb 0.55 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.06 1k9m n ALA 82 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1k9m h GLU 83 N 0.00 0.00 -6.65 0.00 4.11 -2.01 -3.50 114.58 106.54 1k9m h GLU 83 Ca 0.00 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 58.95 1k9m h GLU 83 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 1k9m h GLU 83 CO 0.00 0.00 -0.10 -0.06 0.07 0.00 0.00 179.01 178.92 1k9m s PHE 89 N -3.81 3.46 -0.12 2.06 0.40 -0.38 -5.09 117.98 114.50 1k9m s PHE 89 Ca -0.00 0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 56.74 1k9m s PHE 89 Cb 0.01 -2.07 0.04 0.00 0.51 0.00 0.00 43.02 41.51 1k9m s PHE 89 CO 0.02 -0.06 0.02 0.50 0.70 0.00 0.00 175.22 176.39 1k9m s ARG 90 N -4.46 0.64 -0.06 0.44 3.52 -1.05 -1.10 118.95 116.87 1k9m s ARG 90 Ca 0.43 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.93 1k9m s ARG 90 Cb -0.10 -1.46 0.02 0.00 -1.56 0.00 0.00 34.95 31.85 1k9m s ARG 90 CO 0.38 -0.44 -0.07 0.54 -0.81 0.00 0.00 175.30 174.90 1k9m s VAL 91 N 1.93 0.80 -0.57 7.11 0.11 -0.55 -3.80 120.40 125.43 1k9m s VAL 91 Ca 0.03 -0.26 -0.26 0.00 -2.93 0.00 0.00 61.98 58.56 1k9m s VAL 91 Cb -0.14 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1k9m s VAL 91 CO -0.07 0.29 1.08 -0.62 -3.33 0.00 0.00 175.10 172.45 1k9m s ASP 92 N 0.97 6.40 0.29 3.54 -1.08 -1.26 -2.53 116.67 123.00 1k9m s ASP 92 Ca -0.10 -0.10 0.03 0.00 -0.52 0.00 0.00 52.55 51.87 1k9m s ASP 92 Cb -0.15 -2.50 0.72 0.00 -1.46 0.00 0.00 42.92 39.54 1k9m s ASP 92 CO 0.00 -1.36 1.70 0.58 0.52 0.00 0.00 175.17 176.61 1k9m h VAL 93 N 6.09 0.48 -0.90 1.11 2.07 -1.36 -1.15 116.25 122.60 1k9m h VAL 93 Ca -0.25 -0.14 0.26 0.00 0.82 0.00 0.00 66.70 67.39 1k9m h VAL 93 Cb 1.06 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1k9m h VAL 93 CO 1.14 0.07 0.69 0.03 0.02 0.00 0.00 177.57 179.53 1k9m h ARG 94 N 0.40 0.00 0.00 1.57 3.08 -1.91 1.31 114.38 118.82 1k9m h ARG 94 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 1k9m h ARG 94 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1k9m h ARG 94 CO -0.53 0.00 -0.46 -0.25 -1.07 0.00 0.00 179.97 177.67 1k9m n ASP 95 N -4.10 0.49 -0.10 7.04 8.00 -0.44 -4.34 116.55 123.11 1k9m n ASP 95 Ca 0.19 -0.03 -0.18 0.00 0.71 0.00 0.00 54.79 55.48 1k9m n ASP 95 Cb 1.01 0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 42.13 1k9m n ASP 95 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k9m n VAL 96 N -1.68 1.50 -1.89 2.53 0.31 0.44 -4.96 118.33 114.59 1k9m n VAL 96 Ca 0.05 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.95 1k9m n VAL 96 Cb 0.37 -2.13 -0.03 0.00 -0.91 0.00 0.00 33.84 31.14 1k9m n VAL 96 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1k9m s VAL 97 N -2.39 2.46 0.58 2.52 1.01 -0.60 -5.02 120.40 118.94 1k9m s VAL 97 Ca -0.27 0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 1k9m s VAL 97 Cb 0.06 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 1k9m s VAL 97 CO 0.47 0.03 0.98 -1.61 0.00 0.00 0.00 175.10 174.97 1k9m s GLU 98 N 0.85 3.66 -0.27 2.72 2.02 -1.26 -3.52 118.70 122.90 1k9m s GLU 98 Ca 0.69 0.70 0.00 0.00 0.02 0.00 0.00 54.97 56.38 1k9m s GLU 98 Cb -0.45 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.64 1k9m s GLU 98 CO 0.34 -0.45 0.00 0.39 0.02 0.00 0.00 175.26 175.56 1k9m n GLU 99 N -2.43 -0.85 0.00 1.61 1.02 -1.26 -4.85 120.64 113.88 1k9m n GLU 99 Ca 0.05 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1k9m n GLU 99 Cb 0.54 -4.13 0.00 0.00 -0.02 0.00 0.00 31.44 27.83 1k9m n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1k9m n ALA 100 N 1.05 2.38 -0.07 0.62 0.00 -1.23 -3.22 120.51 120.04 1k9m n ALA 100 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1k9m n ALA 100 Cb 0.25 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 1k9m n ALA 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1k9m n ASP 101 N -0.40 1.38 -0.58 0.00 8.00 -1.26 -4.44 116.55 119.25 1k9m n ASP 101 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1k9m n ASP 101 Cb 0.04 -0.54 0.01 0.00 -0.02 0.00 0.00 41.12 40.61 1k9m n ASP 101 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1k9m n ASP 102 N -3.90 1.28 -4.61 -2.24 5.75 -1.23 -4.76 116.55 106.83 1k9m n ASP 102 Ca -0.24 -2.03 -0.34 0.00 -0.01 0.00 0.00 54.79 52.17 1k9m n ASP 102 Cb 0.57 -0.51 -0.11 0.00 -1.03 0.00 0.00 41.12 40.05 1k9m n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k9m s ALA 103 N -1.01 3.08 -0.33 2.12 0.00 -1.20 -4.92 121.76 119.50 1k9m s ALA 103 Ca 0.02 -0.90 0.26 0.00 0.00 0.00 0.00 51.96 51.34 1k9m s ALA 103 Cb 0.01 -1.28 1.10 0.00 0.00 0.00 0.00 23.12 22.96 1k9m s ALA 103 CO 0.01 0.59 1.78 0.22 0.00 0.00 0.00 175.76 178.35 1k9m h ASP 104 N 5.04 0.00 0.00 0.00 1.82 -1.16 -3.46 116.42 118.66 1k9m h ASP 104 Ca -0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.15 1k9m h ASP 104 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1k9m h ASP 104 CO 0.53 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 178.16 1k9m n TYR 105 N -2.43 0.00 -4.24 0.28 0.18 -1.26 -5.01 117.16 104.69 1k9m n TYR 105 Ca 0.02 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.45 1k9m n TYR 105 Cb 0.23 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.08 1k9m n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1k9m s VAL 106 N -2.00 4.31 -0.07 -3.48 1.01 -1.26 -0.03 120.40 118.88 1k9m s VAL 106 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1k9m s VAL 106 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1k9m s VAL 106 CO 0.00 0.50 -0.13 -0.75 0.00 0.00 0.00 175.10 174.72 1k9m s LYS 107 N 0.16 1.74 -0.15 2.72 2.20 0.56 -1.86 119.74 125.11 1k9m s LYS 107 Ca 0.01 -0.42 -0.17 0.00 -0.36 0.00 0.00 55.97 55.03 1k9m s LYS 107 Cb -0.13 -1.43 -0.04 0.00 -1.51 0.00 0.00 37.83 34.72 1k9m s LYS 107 CO 0.02 0.03 0.44 0.08 -0.36 0.00 0.00 175.35 175.55 1k9m s VAL 108 N 0.66 5.20 0.08 4.02 1.01 -0.06 -1.96 120.40 129.36 1k9m s VAL 108 Ca -0.15 0.85 0.05 0.00 0.00 0.00 0.00 61.98 62.73 1k9m s VAL 108 Cb -0.16 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1k9m s VAL 108 CO 0.04 0.31 -0.03 -0.76 0.00 0.00 0.00 175.10 174.66 1k9m s LEU 109 N 0.79 3.36 -0.89 3.92 1.43 0.13 -2.79 118.68 124.62 1k9m s LEU 109 Ca 0.23 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.08 1k9m s LEU 109 Cb -0.15 -2.09 0.17 0.00 0.03 0.00 0.00 46.19 44.16 1k9m s LEU 109 CO 0.09 0.19 2.38 0.61 0.23 0.00 0.00 176.35 179.84 1k9m n GLY 110 N 0.69 5.11 3.78 -3.19 0.00 -1.26 -0.98 105.19 109.34 1k9m n GLY 110 Ca -0.12 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.40 1k9m n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m s ALA 111 N -2.33 3.73 0.00 4.61 0.00 -1.26 -4.62 121.76 121.89 1k9m s ALA 111 Ca 0.53 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1k9m s ALA 111 Cb 0.30 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.27 1k9m s ALA 111 CO -0.20 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.26 1k9m n GLY 112 N 3.02 -1.84 3.81 0.00 0.00 -1.26 -2.27 105.19 106.65 1k9m n GLY 112 Ca -0.17 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 1k9m n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k9m s GLN 113 N 0.00 2.39 -0.22 1.61 -0.21 -1.26 -4.86 119.66 117.11 1k9m s GLN 113 Ca 0.00 -1.67 -0.03 0.00 0.02 0.00 0.00 55.36 53.68 1k9m s GLN 113 Cb 0.00 -2.20 0.07 0.00 1.00 0.00 0.00 33.01 31.89 1k9m s GLN 113 CO 0.00 -0.14 0.06 0.08 -2.12 0.00 0.00 175.29 173.17 1k9m s VAL 114 N -2.52 0.45 -2.39 1.09 1.01 -1.26 -4.17 120.40 112.61 1k9m s VAL 114 Ca 0.45 -0.69 0.23 0.00 0.00 0.00 0.00 61.98 61.96 1k9m s VAL 114 Cb -0.00 -1.09 0.46 0.00 0.00 0.00 0.00 36.38 35.75 1k9m s VAL 114 CO 0.25 -0.37 1.43 0.54 0.00 0.00 0.00 175.10 176.96 1k9m n ARG 115 N 5.06 2.50 -4.36 2.72 1.74 -1.26 -4.78 116.66 118.29 1k9m n ARG 115 Ca -0.07 -2.28 -0.18 0.00 -0.77 0.00 0.00 57.85 54.55 1k9m n ARG 115 Cb 0.46 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 1k9m n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1k9m s HIS 116 N -1.43 1.67 -0.27 -1.55 3.76 -1.26 -5.10 115.29 111.10 1k9m s HIS 116 Ca 0.40 -0.82 -0.24 0.00 -0.15 0.00 0.00 55.06 54.25 1k9m s HIS 116 Cb 0.23 -0.95 -0.00 0.00 1.11 0.00 0.00 32.58 32.97 1k9m s HIS 116 CO 0.32 0.09 0.79 -1.83 -0.85 0.00 0.00 174.74 173.25 1k9m s GLU 117 N -3.80 4.07 0.00 1.40 -1.05 -1.23 -4.79 118.70 113.30 1k9m s GLU 117 Ca 0.27 0.73 0.06 0.00 -0.15 0.00 0.00 54.97 55.89 1k9m s GLU 117 Cb 0.05 -3.68 -0.02 0.00 -0.44 0.00 0.00 34.13 30.03 1k9m s GLU 117 CO 0.09 -0.58 -0.20 -0.51 0.95 0.00 0.00 175.26 175.01 1k9m s LEU 118 N 2.86 2.07 -0.34 1.83 1.43 -1.26 -1.25 118.68 124.03 1k9m s LEU 118 Ca 0.33 -0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1k9m s LEU 118 Cb -0.15 -0.99 0.07 0.00 0.03 0.00 0.00 46.19 45.15 1k9m s LEU 118 CO 0.10 0.22 0.08 -0.89 0.23 0.00 0.00 176.35 176.08 1k9m s THR 119 N -0.55 3.14 -0.16 5.49 2.01 -0.26 -0.41 115.64 124.89 1k9m s THR 119 Ca 0.07 -1.60 -0.05 0.00 0.31 0.00 0.00 61.69 60.42 1k9m s THR 119 Cb -0.08 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1k9m s THR 119 CO -0.00 -0.32 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.85 1k9m s LEU 120 N 1.22 3.44 -0.23 4.42 1.43 -0.36 -1.49 118.68 127.11 1k9m s LEU 120 Ca -0.00 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1k9m s LEU 120 Cb -0.21 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1k9m s LEU 120 CO -0.02 0.17 -0.06 -0.63 0.23 0.00 0.00 176.35 176.04 1k9m s ILE 121 N 0.35 3.02 0.31 -0.59 1.01 -1.05 0.32 121.20 124.56 1k9m s ILE 121 Ca -0.02 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 1k9m s ILE 121 Cb -0.14 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.89 1k9m s ILE 121 CO 0.02 0.30 0.51 0.00 0.00 0.00 0.00 174.94 175.78 1k9m s ALA 122 N 1.38 0.17 -0.23 9.38 0.00 -1.09 -0.81 121.76 130.56 1k9m s ALA 122 Ca 0.03 -1.16 0.18 0.00 0.00 0.00 0.00 51.96 51.00 1k9m s ALA 122 Cb -0.15 1.06 0.18 0.00 0.00 0.00 0.00 23.12 24.20 1k9m s ALA 122 CO -0.05 -0.84 1.51 -0.44 0.00 0.00 0.00 175.76 175.94 1k9m h ASP 123 N 2.16 0.00 -4.71 0.00 3.32 -1.70 -0.69 116.42 114.81 1k9m h ASP 123 Ca -0.28 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.79 1k9m h ASP 123 Cb 1.25 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.62 1k9m h ASP 123 CO 0.38 0.35 0.35 -0.62 -1.72 0.00 0.00 179.24 177.97 1k9m s ASP 124 N -6.38 -0.51 0.04 6.45 2.15 -0.87 -4.08 116.67 113.47 1k9m s ASP 124 Ca 0.05 0.34 -0.02 0.00 0.43 0.00 0.00 52.55 53.35 1k9m s ASP 124 Cb 0.07 0.46 -0.02 0.00 -0.30 0.00 0.00 42.92 43.13 1k9m s ASP 124 CO 0.72 -0.62 0.01 -0.36 -0.17 0.00 0.00 175.17 174.76 1k9m s PHE 125 N -2.09 0.34 0.25 -5.34 0.40 -1.26 -0.89 117.98 109.39 1k9m s PHE 125 Ca -0.03 -0.73 0.01 0.00 -0.60 0.00 0.00 56.93 55.58 1k9m s PHE 125 Cb -0.01 -0.25 -0.04 0.00 0.51 0.00 0.00 43.02 43.24 1k9m s PHE 125 CO -0.01 -0.33 0.43 -1.54 0.70 0.00 0.00 175.22 174.48 1k9m s SER 126 N -2.25 6.34 0.13 1.36 1.04 -1.12 -4.96 113.70 114.24 1k9m s SER 126 Ca -0.03 0.33 -0.31 0.00 0.48 0.00 0.00 55.95 56.42 1k9m s SER 126 Cb -0.00 -1.98 -0.07 0.00 0.10 0.00 0.00 66.02 64.07 1k9m s SER 126 CO -0.06 -0.12 1.57 -0.33 0.98 0.00 0.00 173.24 175.27 1k9m h GLU 127 N 1.43 -0.45 -0.94 4.02 5.08 -2.00 -0.76 114.58 120.96 1k9m h GLU 127 Ca -0.49 0.03 0.22 0.00 -1.00 0.00 0.00 59.36 58.11 1k9m h GLU 127 Cb 1.21 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 30.44 1k9m h GLU 127 CO 0.64 -0.30 0.50 0.78 -1.00 0.00 0.00 179.01 179.63 1k9m h GLY 128 N -0.47 1.69 0.94 -3.84 0.00 -1.95 -0.64 103.07 98.80 1k9m h GLY 128 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1k9m h GLY 128 CO -0.49 -0.20 0.15 0.00 0.00 0.00 0.00 176.54 176.00 1k9m h ALA 129 N 1.69 0.39 0.86 3.60 0.00 -1.43 -1.93 119.26 122.45 1k9m h ALA 129 Ca 0.58 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.36 1k9m h ALA 129 Cb 1.05 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1k9m h ALA 129 CO -0.47 -0.06 -0.41 0.00 0.00 0.00 0.00 179.25 178.31 1k9m h ARG 130 N 0.36 -1.11 -0.72 0.00 3.08 -0.37 -1.21 114.38 114.40 1k9m h ARG 130 Ca 0.11 0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.39 1k9m h ARG 130 Cb 0.10 0.25 -0.13 0.00 0.08 0.00 0.00 29.97 30.27 1k9m h ARG 130 CO -0.01 -0.74 -0.01 0.93 -1.07 0.00 0.00 179.97 179.07 1k9m h GLU 131 N -1.27 0.09 0.37 0.04 5.08 -1.20 0.06 114.58 117.75 1k9m h GLU 131 Ca -0.12 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1k9m h GLU 131 Cb 0.89 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1k9m h GLU 131 CO 0.19 0.06 -0.18 0.87 -1.00 0.00 0.00 179.01 178.96 1k9m h LYS 132 N 0.10 -0.48 -0.32 2.33 1.57 -1.27 0.13 116.57 118.63 1k9m h LYS 132 Ca 0.39 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.23 1k9m h LYS 132 Cb 0.67 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1k9m h LYS 132 CO -0.64 -0.28 0.21 0.28 -0.57 0.00 0.00 179.45 178.45 1k9m h VAL 133 N -0.56 1.02 0.24 0.50 2.07 -0.36 -2.44 116.25 116.72 1k9m h VAL 133 Ca -0.05 -0.11 -0.34 0.00 0.82 0.00 0.00 66.70 67.02 1k9m h VAL 133 Cb 0.42 0.66 0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1k9m h VAL 133 CO 0.08 0.06 -1.52 -0.33 0.02 0.00 0.00 177.57 175.89 1k9m h GLU 134 N 0.33 0.51 0.00 1.57 5.08 -0.89 0.12 114.58 121.31 1k9m h GLU 134 Ca 0.13 -0.87 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 1k9m h GLU 134 Cb 0.10 0.32 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1k9m h GLU 134 CO -0.03 1.42 0.00 0.78 -1.00 0.00 0.00 179.01 180.18 1k9m h GLY 135 N 0.32 0.00 -3.65 -3.84 0.00 -0.29 0.74 103.07 96.35 1k9m h GLY 135 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.65 1k9m h GLY 135 CO 0.26 0.00 0.48 0.00 0.00 0.00 0.00 176.54 177.28 1k9m n ALA 136 N -1.97 5.23 -3.41 3.60 0.00 -0.96 -4.88 120.51 118.12 1k9m n ALA 136 Ca -0.02 -2.83 -0.19 0.00 0.00 0.00 0.00 53.44 50.40 1k9m n ALA 136 Cb 0.08 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.30 1k9m n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9m n GLY 137 N -0.96 -0.36 3.47 0.00 0.00 0.24 -3.55 105.19 104.03 1k9m n GLY 137 Ca 0.53 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.43 1k9m n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k9m s GLY 138 N -3.79 2.26 0.11 -0.02 0.00 0.03 -4.41 107.32 101.49 1k9m s GLY 138 Ca 0.26 -1.73 0.04 0.00 0.00 0.00 0.00 44.72 43.29 1k9m s GLY 138 CO 0.67 -1.82 -0.11 -1.35 0.00 0.00 0.00 173.10 170.49 1k9m s SER 139 N -3.53 1.68 -0.15 1.64 1.04 0.45 -3.64 113.70 111.19 1k9m s SER 139 Ca 0.32 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.90 1k9m s SER 139 Cb 0.07 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.19 1k9m s SER 139 CO 0.15 -0.24 -0.15 -0.69 0.98 0.00 0.00 173.24 173.28 1k9m s VAL 140 N -2.54 1.64 -0.18 5.02 1.01 -1.26 -1.22 120.40 122.87 1k9m s VAL 140 Ca 0.09 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1k9m s VAL 140 Cb -0.02 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1k9m s VAL 140 CO 0.01 0.47 0.04 -1.61 0.00 0.00 0.00 175.10 174.01 1k9m s GLU 141 N 1.41 3.88 -0.17 2.72 2.02 0.15 -4.96 118.70 123.76 1k9m s GLU 141 Ca 0.04 -0.40 -0.21 0.00 0.02 0.00 0.00 54.97 54.42 1k9m s GLU 141 Cb -0.13 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1k9m s GLU 141 CO -0.10 0.25 0.63 -1.17 0.02 0.00 0.00 175.26 174.89 1k9m s LEU 142 N 0.42 4.18 1.32 1.80 2.96 -1.26 -2.69 118.68 125.40 1k9m s LEU 142 Ca 0.01 0.89 -0.18 0.00 -0.22 0.00 0.00 54.13 54.64 1k9m s LEU 142 Cb -0.13 -2.91 0.34 0.00 0.50 0.00 0.00 46.19 43.99 1k9m s LEU 142 CO 0.01 -0.23 0.94 0.41 -1.32 0.00 0.00 176.35 176.16 1k9m n THR 143 N 4.48 0.00 0.11 3.68 -1.04 -0.27 -4.79 114.28 116.46 1k9m n THR 143 Ca -0.02 -0.31 -0.02 0.00 -2.04 0.00 0.00 64.05 61.67 1k9m n THR 143 Cb 0.50 -0.99 0.23 0.00 -1.82 0.00 0.00 70.33 68.25 1k9m n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1k9m h ASP 144 N -3.12 0.18 0.02 8.00 3.32 -1.97 -0.85 116.42 122.00 1k9m h ASP 144 Ca -0.55 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 56.31 1k9m h ASP 144 Cb 1.34 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1k9m h ASP 144 CO 0.40 0.61 -0.37 0.25 -1.72 0.00 0.00 179.24 178.41 1k9m h LEU 145 N 0.14 0.49 -0.93 1.55 6.46 -1.93 -1.53 115.31 119.56 1k9m h LEU 145 Ca 0.01 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1k9m h LEU 145 Cb 0.86 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1k9m h LEU 145 CO 0.07 0.82 0.00 0.61 -0.62 0.00 0.00 178.44 179.31 1k9m n GLY 146 N -0.14 -0.84 1.40 3.75 0.00 -0.35 -3.00 105.19 106.01 1k9m n GLY 146 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1k9m n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k9m n GLU 147 N -2.04 0.61 -2.63 1.61 1.02 -0.58 -3.91 120.64 114.72 1k9m n GLU 147 Ca -0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 1k9m n GLU 147 Cb 0.06 -1.20 -0.01 0.00 -0.02 0.00 0.00 31.44 30.27 1k9m n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1k9m n GLU 148 N 1.27 3.37 -3.52 3.49 1.02 -1.16 -4.92 120.64 120.19 1k9m n GLU 148 Ca 0.00 -4.63 -0.27 0.00 -0.02 0.00 0.00 57.16 52.24 1k9m n GLU 148 Cb 0.30 -2.25 -0.09 0.00 -0.02 0.00 0.00 31.44 29.38 1k9m n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1k9m n ARG 149 N -0.40 1.69 0.00 3.49 1.74 -1.25 -5.20 116.66 116.72 1k9m n ARG 149 Ca 0.36 -4.16 0.00 0.00 -0.77 0.00 0.00 57.85 53.28 1k9m n ARG 149 Cb 0.57 -2.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1k9m n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05