#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mc9 n GLY 5 N 0.00 0.81 0.00 6.12 0.00 -1.26 -5.03 105.19 105.83 1mc9 n GLY 5 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1mc9 n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc9 n GLY 6 N 0.00 3.40 3.81 -0.02 0.00 -1.22 -4.53 105.19 106.64 1mc9 n GLY 6 Ca 0.00 -1.57 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1mc9 n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mc9 s GLN 7 N -4.85 2.58 -0.34 1.61 -0.21 -1.25 -0.42 119.66 116.78 1mc9 s GLN 7 Ca 0.00 0.82 0.02 0.00 0.02 0.00 0.00 55.36 56.22 1mc9 s GLN 7 Cb 0.00 -1.96 0.10 0.00 1.00 0.00 0.00 33.01 32.15 1mc9 s GLN 7 CO 0.00 -1.32 0.08 0.42 -2.12 0.00 0.00 175.29 172.35 1mc9 s ILE 8 N -3.09 1.80 -0.16 1.08 -1.09 -1.26 -3.09 121.20 115.38 1mc9 s ILE 8 Ca 0.59 -2.06 -0.07 0.00 -2.23 0.00 0.00 60.65 56.88 1mc9 s ILE 8 Cb -0.14 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 1mc9 s ILE 8 CO 0.55 -0.64 0.07 -1.59 -1.23 0.00 0.00 174.94 172.10 1mc9 s LYS 9 N 1.10 3.82 0.06 2.79 -2.85 -0.58 -0.70 119.74 123.36 1mc9 s LYS 9 Ca 0.11 -0.31 -0.31 0.00 -1.00 0.00 0.00 55.97 54.46 1mc9 s LYS 9 Cb -0.19 -3.18 -0.06 0.00 -2.06 0.00 0.00 37.83 32.34 1mc9 s LYS 9 CO -0.13 0.39 1.33 0.20 0.10 0.00 0.00 175.35 177.23 1mc9 s GLY 10 N 0.04 2.08 0.08 0.59 0.00 0.46 -1.18 107.32 109.40 1mc9 s GLY 10 Ca 0.06 0.95 -0.19 0.00 0.00 0.00 0.00 44.72 45.54 1mc9 s GLY 10 CO 0.01 2.29 1.55 -2.08 0.00 0.00 0.00 173.10 174.87 1mc9 h VAL 11 N 4.55 1.23 -0.43 1.40 2.07 -1.19 0.11 116.25 123.99 1mc9 h VAL 11 Ca -0.40 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.26 1mc9 h VAL 11 Cb 1.20 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 1mc9 h VAL 11 CO 0.86 0.24 -0.07 1.23 0.02 0.00 0.00 177.57 179.85 1mc9 h GLY 12 N 0.16 0.79 0.38 2.17 0.00 -1.58 -3.25 103.07 101.74 1mc9 h GLY 12 Ca 0.07 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.72 1mc9 h GLY 12 CO 0.01 0.52 -1.78 -1.14 0.00 0.00 0.00 176.54 174.15 1mc9 n SER 13 N -4.19 0.32 -1.06 0.19 3.41 -1.23 -4.98 113.62 106.09 1mc9 n SER 13 Ca 0.02 0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.62 1mc9 n SER 13 Cb 0.34 1.17 -0.06 0.00 -0.26 0.00 0.00 64.21 65.39 1mc9 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mc9 n GLY 14 N 1.36 1.34 3.67 5.00 0.00 0.38 -4.97 105.19 111.98 1mc9 n GLY 14 Ca -0.10 -0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1mc9 n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mc9 s ARG 15 N -3.15 2.44 0.20 1.61 0.52 -1.24 -4.67 118.95 114.66 1mc9 s ARG 15 Ca 0.00 -1.11 -0.05 0.00 -0.52 0.00 0.00 55.73 54.06 1mc9 s ARG 15 Cb 0.00 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 33.05 1mc9 s ARG 15 CO 0.00 0.45 0.44 0.00 0.02 0.00 0.00 175.30 176.21 1mc9 s LEU 17 N -3.00 4.05 -0.05 0.00 2.96 0.12 -0.98 118.68 121.78 1mc9 s LEU 17 Ca 0.42 1.99 0.02 0.00 -0.22 0.00 0.00 54.13 56.34 1mc9 s LEU 17 Cb -0.11 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1mc9 s LEU 17 CO 0.26 -1.22 -0.09 -0.62 -1.32 0.00 0.00 176.35 173.37 1mc9 s ASP 18 N 4.52 1.34 -0.35 3.68 -1.08 0.10 -4.48 116.67 120.41 1mc9 s ASP 18 Ca 0.78 -0.21 -0.26 0.00 -0.52 0.00 0.00 52.55 52.34 1mc9 s ASP 18 Cb -0.31 -0.60 0.01 0.00 -1.46 0.00 0.00 42.92 40.56 1mc9 s ASP 18 CO 0.32 0.00 0.93 -0.69 0.52 0.00 0.00 175.17 176.25 1mc9 s VAL 19 N 0.70 4.61 -0.21 1.11 1.01 -0.33 -2.20 120.40 125.08 1mc9 s VAL 19 Ca -0.12 1.29 -0.40 0.00 0.00 0.00 0.00 61.98 62.75 1mc9 s VAL 19 Cb -0.14 -4.32 -0.16 0.00 0.00 0.00 0.00 36.38 31.75 1mc9 s VAL 19 CO 0.02 -0.48 1.63 -2.65 0.00 0.00 0.00 175.10 173.62 1mc9 n PRO 20 N 6.70 1.02 -1.67 2.72 -0.02 -1.26 -1.75 135.00 140.74 1mc9 n PRO 20 Ca 0.07 0.37 -0.20 0.00 -2.02 0.00 0.00 63.50 61.72 1mc9 n PRO 20 Cb 0.48 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 1mc9 n PRO 20 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1mc9 n ASP 21 N 4.54 -5.47 -2.84 2.55 8.00 -1.26 -1.45 116.55 120.62 1mc9 n ASP 21 Ca 0.25 0.45 -0.18 0.00 0.71 0.00 0.00 54.79 56.02 1mc9 n ASP 21 Cb 0.12 -4.72 0.00 0.00 -0.02 0.00 0.00 41.12 36.50 1mc9 n ASP 21 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mc9 n ALA 22 N 1.05 -0.90 -1.75 2.24 0.00 -0.72 -4.93 120.51 115.50 1mc9 n ALA 22 Ca -0.21 0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.00 1mc9 n ALA 22 Cb 0.67 -2.32 0.03 0.00 0.00 0.00 0.00 19.45 17.83 1mc9 n ALA 22 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mc9 s SER 23 N -2.37 5.18 0.00 0.00 0.15 -0.53 -4.94 113.70 111.20 1mc9 s SER 23 Ca 0.18 2.39 0.12 0.00 0.70 0.00 0.00 55.95 59.34 1mc9 s SER 23 Cb -0.09 -2.60 0.26 0.00 -1.71 0.00 0.00 66.02 61.88 1mc9 s SER 23 CO 0.22 -1.60 1.15 0.35 1.20 0.00 0.00 173.24 174.57 1mc9 n THR 24 N -1.60 0.64 -2.30 6.45 -2.24 -1.26 -4.90 114.28 109.07 1mc9 n THR 24 Ca 0.14 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.67 1mc9 n THR 24 Cb 0.50 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 1mc9 n THR 24 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1mc9 s SER 25 N -1.02 6.90 0.12 3.42 0.01 -1.26 -4.90 113.70 116.97 1mc9 s SER 25 Ca 0.22 1.99 -0.34 0.00 1.31 0.00 0.00 55.95 59.13 1mc9 s SER 25 Cb 0.13 -2.56 -0.17 0.00 0.21 0.00 0.00 66.02 63.63 1mc9 s SER 25 CO 0.17 -0.70 1.02 0.47 0.41 0.00 0.00 173.24 174.61 1mc9 n ASP 26 N 5.60 0.43 0.00 2.44 8.00 -1.26 -2.12 116.55 129.65 1mc9 n ASP 26 Ca 0.13 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.77 1mc9 n ASP 26 Cb 0.44 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 1mc9 n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mc9 n GLY 27 N 1.88 1.24 3.66 0.44 0.00 -0.45 -5.01 105.19 106.95 1mc9 n GLY 27 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1mc9 n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mc9 s THR 28 N -2.58 3.29 0.26 2.61 2.01 -0.90 -4.77 115.64 115.55 1mc9 s THR 28 Ca 0.00 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1mc9 s THR 28 Cb 0.00 -3.25 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1mc9 s THR 28 CO 0.00 -0.03 1.10 -1.58 -0.69 0.00 0.00 174.62 173.42 1mc9 s GLN 29 N 4.13 4.63 0.62 4.92 0.74 -1.26 -1.36 119.66 132.08 1mc9 s GLN 29 Ca 0.80 1.79 -0.16 0.00 0.05 0.00 0.00 55.36 57.85 1mc9 s GLN 29 Cb -0.38 -3.21 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 1mc9 s GLN 29 CO 0.35 0.18 1.10 -0.51 -0.55 0.00 0.00 175.29 175.86 1mc9 s LEU 30 N -1.20 3.47 0.20 3.68 1.43 -0.17 -4.54 118.68 121.54 1mc9 s LEU 30 Ca 0.46 1.97 -0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1mc9 s LEU 30 Cb -0.32 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.31 1mc9 s LEU 30 CO 0.40 -1.44 0.10 0.00 0.23 0.00 0.00 176.35 175.64 1mc9 s GLN 31 N -3.97 1.19 0.16 1.70 -2.07 -0.94 -1.34 119.66 114.39 1mc9 s GLN 31 Ca 0.67 -1.62 -0.19 0.00 -1.82 0.00 0.00 55.36 52.40 1mc9 s GLN 31 Cb -0.20 0.13 -0.08 0.00 -1.09 0.00 0.00 33.01 31.78 1mc9 s GLN 31 CO 0.38 -0.33 0.65 -0.51 -1.32 0.00 0.00 175.29 174.16 1mc9 s LEU 32 N -3.17 4.42 -0.05 2.60 1.43 -0.33 -0.72 118.68 122.86 1mc9 s LEU 32 Ca 0.35 1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 54.62 1mc9 s LEU 32 Cb 0.07 -3.31 0.03 0.00 0.03 0.00 0.00 46.19 43.01 1mc9 s LEU 32 CO 0.10 0.13 0.37 0.86 0.23 0.00 0.00 176.35 178.05 1mc9 s TRP 33 N -1.36 -0.29 -0.02 0.29 -0.11 -0.15 -1.23 118.94 116.07 1mc9 s TRP 33 Ca 0.37 0.54 -0.40 0.00 1.22 0.00 0.00 56.10 57.83 1mc9 s TRP 33 Cb -0.18 0.15 -0.20 0.00 -1.50 0.00 0.00 33.47 31.74 1mc9 s TRP 33 CO 0.21 -0.38 1.12 -0.25 -4.62 0.00 0.00 176.95 173.02 1mc9 n ASP 34 N 1.56 0.16 -4.75 5.86 8.00 -1.26 -0.39 116.55 125.73 1mc9 n ASP 34 Ca -0.20 1.16 -0.41 0.00 0.71 0.00 0.00 54.79 56.05 1mc9 n ASP 34 Cb 0.56 -0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1mc9 n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mc9 s HIS 36 N -0.14 0.67 -1.81 0.00 -3.43 -1.26 -5.05 115.29 104.28 1mc9 s HIS 36 Ca 0.56 -1.03 0.29 0.00 -0.80 0.00 0.00 55.06 54.08 1mc9 s HIS 36 Cb -0.39 0.18 1.65 0.00 -1.43 0.00 0.00 32.58 32.59 1mc9 s HIS 36 CO 0.42 -1.18 2.06 -1.13 -2.00 0.00 0.00 174.74 172.91 1mc9 n SER 37 N -1.11 0.00 -4.70 7.38 3.41 -1.26 -4.85 113.62 112.49 1mc9 n SER 37 Ca -0.02 -0.65 -0.30 0.00 -0.26 0.00 0.00 58.87 57.65 1mc9 n SER 37 Cb 0.61 -0.10 0.15 0.00 -0.26 0.00 0.00 64.21 64.62 1mc9 n SER 37 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1mc9 s GLY 38 N -2.19 1.61 0.45 5.00 0.00 -1.26 -4.95 107.32 105.98 1mc9 s GLY 38 Ca 0.38 -0.06 0.25 0.00 0.00 0.00 0.00 44.72 45.29 1mc9 s GLY 38 CO 0.37 0.45 1.86 -0.91 0.00 0.00 0.00 173.10 174.87 1mc9 h THR 39 N -1.67 0.52 0.00 0.90 1.35 -1.95 -2.88 112.91 109.18 1mc9 h THR 39 Ca -0.50 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 1mc9 h THR 39 Cb 1.29 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1mc9 h THR 39 CO 0.54 0.20 0.00 -0.46 -0.25 0.00 0.00 175.52 175.55 1mc9 n ASN 40 N -3.39 0.00 0.00 5.36 6.94 -1.26 -2.47 115.26 120.44 1mc9 n ASN 40 Ca -0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 1mc9 n ASN 40 Cb 0.41 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1mc9 n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mc9 n GLN 41 N -0.85 1.23 -3.47 -3.83 6.02 -1.09 -1.19 117.38 114.21 1mc9 n GLN 41 Ca 0.14 -1.00 -0.39 0.00 -0.01 0.00 0.00 57.00 55.75 1mc9 n GLN 41 Cb 0.06 -0.93 -0.10 0.00 1.02 0.00 0.00 30.24 30.30 1mc9 n GLN 41 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1mc9 s GLN 42 N -0.52 3.99 -0.11 -1.09 -1.52 -1.03 -3.94 119.66 115.44 1mc9 s GLN 42 Ca 0.00 -0.11 0.03 0.00 -1.95 0.00 0.00 55.36 53.33 1mc9 s GLN 42 Cb 0.00 -3.65 0.01 0.00 -0.22 0.00 0.00 33.01 29.14 1mc9 s GLN 42 CO 0.00 -0.23 -0.20 -1.58 -0.25 0.00 0.00 175.29 173.03 1mc9 s TRP 43 N 1.93 2.35 -0.24 0.91 0.52 0.44 -4.44 118.94 120.41 1mc9 s TRP 43 Ca 0.12 -1.06 -0.06 0.00 0.02 0.00 0.00 56.10 55.11 1mc9 s TRP 43 Cb -0.16 -1.61 -0.02 0.00 -1.15 0.00 0.00 33.47 30.52 1mc9 s TRP 43 CO 0.10 -0.48 0.04 0.00 0.02 0.00 0.00 176.95 176.63 1mc9 s ALA 44 N 0.66 3.07 0.23 0.98 0.00 0.31 -3.38 121.76 123.64 1mc9 s ALA 44 Ca -0.12 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 1mc9 s ALA 44 Cb -0.16 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.91 1mc9 s ALA 44 CO 0.03 -0.43 1.04 0.00 0.00 0.00 0.00 175.76 176.39 1mc9 s ALA 45 N 1.51 3.37 0.34 0.00 0.00 -1.26 -0.77 121.76 124.95 1mc9 s ALA 45 Ca 0.06 0.77 0.09 0.00 0.00 0.00 0.00 51.96 52.88 1mc9 s ALA 45 Cb -0.15 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 1mc9 s ALA 45 CO 0.02 -0.05 -0.05 0.95 0.00 0.00 0.00 175.76 176.63 1mc9 s THR 46 N -0.88 2.43 0.49 0.00 -4.23 -0.94 -4.98 115.64 107.53 1mc9 s THR 46 Ca 0.45 -2.10 0.23 0.00 -1.18 0.00 0.00 61.69 59.08 1mc9 s THR 46 Cb -0.29 -2.71 0.28 0.00 1.34 0.00 0.00 72.50 71.12 1mc9 s THR 46 CO 0.36 -0.21 2.12 0.44 -0.54 0.00 0.00 174.62 176.79 1mc9 h ASP 47 N 1.93 0.00 0.02 3.99 3.45 -1.97 -1.22 116.42 122.62 1mc9 h ASP 47 Ca -0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.04 1mc9 h ASP 47 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1mc9 h ASP 47 CO 0.69 0.08 0.00 0.00 -1.57 0.00 0.00 179.24 178.44 1mc9 n ALA 48 N -2.39 2.44 -0.35 3.45 0.00 -1.26 -4.87 120.51 117.54 1mc9 n ALA 48 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1mc9 n ALA 48 Cb 0.17 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1mc9 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mc9 n GLY 49 N 0.61 0.78 3.89 0.00 0.00 -0.46 -4.84 105.19 105.17 1mc9 n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1mc9 n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mc9 s GLU 50 N -0.65 3.10 -0.32 1.61 2.02 -1.25 -0.14 118.70 123.07 1mc9 s GLU 50 Ca 0.00 0.39 0.03 0.00 0.02 0.00 0.00 54.97 55.41 1mc9 s GLU 50 Cb 0.00 -2.13 0.09 0.00 0.10 0.00 0.00 34.13 32.20 1mc9 s GLU 50 CO 0.00 -0.77 0.04 -0.51 0.02 0.00 0.00 175.26 174.04 1mc9 s LEU 51 N -5.17 4.01 0.02 1.80 1.43 -1.26 -2.22 118.68 117.28 1mc9 s LEU 51 Ca 0.55 -1.92 -0.08 0.00 -1.03 0.00 0.00 54.13 51.66 1mc9 s LEU 51 Cb -0.11 -1.44 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1mc9 s LEU 51 CO 0.50 -0.36 0.30 -0.13 0.23 0.00 0.00 176.35 176.89 1mc9 s ARG 52 N 1.09 3.63 -0.00 1.70 0.52 0.05 -1.14 118.95 124.80 1mc9 s ARG 52 Ca 0.08 0.00 0.03 0.00 -0.52 0.00 0.00 55.73 55.32 1mc9 s ARG 52 Cb -0.19 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 1mc9 s ARG 52 CO -0.11 0.64 -0.11 0.54 0.02 0.00 0.00 175.30 176.28 1mc9 s VAL 53 N -1.29 0.83 0.00 3.52 0.11 -0.05 -0.53 120.40 122.99 1mc9 s VAL 53 Ca 0.28 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1mc9 s VAL 53 Cb -0.13 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1mc9 s VAL 53 CO 0.16 0.18 0.00 -1.22 -3.33 0.00 0.00 175.10 170.89 1mc9 n TYR 54 N 2.67 0.00 0.00 1.54 0.53 -1.26 -1.97 117.16 118.67 1mc9 n TYR 54 Ca -0.14 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.74 1mc9 n TYR 54 Cb 0.56 -1.27 0.00 0.00 -1.03 0.00 0.00 39.34 37.60 1mc9 n TYR 54 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1mc9 n GLY 55 N -0.87 2.81 0.09 2.72 0.00 -1.26 -4.72 105.19 103.96 1mc9 n GLY 55 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 46.02 45.38 1mc9 n GLY 55 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mc9 n ASP 56 N 2.38 0.81 -4.85 1.61 5.75 -1.23 -4.99 116.55 116.04 1mc9 n ASP 56 Ca 0.00 -0.91 -0.32 0.00 -0.01 0.00 0.00 54.79 53.56 1mc9 n ASP 56 Cb 0.00 0.82 -0.05 0.00 -1.03 0.00 0.00 41.12 40.86 1mc9 n ASP 56 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1mc9 s LYS 57 N -1.89 3.21 0.04 0.11 -0.14 -0.83 -1.27 119.74 118.97 1mc9 s LYS 57 Ca 0.06 -0.49 0.08 0.00 -1.36 0.00 0.00 55.97 54.26 1mc9 s LYS 57 Cb 0.09 -2.93 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1mc9 s LYS 57 CO 0.41 0.62 -0.22 0.00 -0.76 0.00 0.00 175.35 175.40 1mc9 s LEU 59 N -1.20 4.37 -0.07 0.00 2.96 -0.29 -1.67 118.68 122.77 1mc9 s LEU 59 Ca 0.09 2.60 -0.03 0.00 -0.22 0.00 0.00 54.13 56.57 1mc9 s LEU 59 Cb -0.09 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.06 1mc9 s LEU 59 CO 0.02 -0.85 0.15 -0.62 -1.32 0.00 0.00 176.35 173.72 1mc9 s ASP 60 N 1.54 0.21 -0.15 3.68 -1.08 0.20 -4.43 116.67 116.65 1mc9 s ASP 60 Ca 0.72 0.30 -0.21 0.00 -0.52 0.00 0.00 52.55 52.84 1mc9 s ASP 60 Cb -0.43 0.21 -0.03 0.00 -1.46 0.00 0.00 42.92 41.21 1mc9 s ASP 60 CO 0.32 -0.18 0.62 0.00 0.52 0.00 0.00 175.17 176.44 1mc9 s ALA 61 N 1.58 3.47 -1.22 3.66 0.00 -0.32 -0.65 121.76 128.28 1mc9 s ALA 61 Ca -0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 1mc9 s ALA 61 Cb -0.12 -2.90 0.21 0.00 0.00 0.00 0.00 23.12 20.31 1mc9 s ALA 61 CO -0.06 -0.32 1.76 0.00 0.00 0.00 0.00 175.76 177.14 1mc9 n ALA 62 N 4.42 5.30 0.00 0.00 0.00 -0.43 -4.87 120.51 124.94 1mc9 n ALA 62 Ca -0.02 -4.46 0.00 0.00 0.00 0.00 0.00 53.44 48.95 1mc9 n ALA 62 Cb 0.51 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 17.16 1mc9 n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mc9 n GLY 63 N 2.37 0.38 0.00 0.00 0.00 -1.26 -4.21 105.19 102.47 1mc9 n GLY 63 Ca 0.36 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 44.07 1mc9 n GLY 63 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mc9 n THR 64 N -0.75 0.61 -3.57 2.61 -2.24 -1.26 -4.89 114.28 104.79 1mc9 n THR 64 Ca 0.00 -0.74 -0.23 0.00 -2.27 0.00 0.00 64.05 60.81 1mc9 n THR 64 Cb 0.00 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 68.95 1mc9 n THR 64 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1mc9 s SER 65 N -0.61 6.30 0.24 3.42 0.01 -1.26 -4.89 113.70 116.92 1mc9 s SER 65 Ca 0.00 0.33 -0.31 0.00 1.31 0.00 0.00 55.95 57.28 1mc9 s SER 65 Cb 0.00 -1.98 -0.13 0.00 0.21 0.00 0.00 66.02 64.12 1mc9 s SER 65 CO 0.00 -0.22 1.48 0.59 0.41 0.00 0.00 173.24 175.49 1mc9 n ASN 66 N -1.66 3.08 0.00 2.44 3.02 -1.26 -1.76 115.26 119.12 1mc9 n ASN 66 Ca -0.06 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 1mc9 n ASN 66 Cb 0.56 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1mc9 n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mc9 n GLY 67 N 2.33 0.77 3.76 7.41 0.00 0.17 -5.01 105.19 114.63 1mc9 n GLY 67 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1mc9 n GLY 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mc9 s SER 68 N -2.56 6.44 0.35 1.61 0.01 -0.72 -4.75 113.70 114.07 1mc9 s SER 68 Ca 0.00 2.93 -0.29 0.00 1.31 0.00 0.00 55.95 59.91 1mc9 s SER 68 Cb 0.00 -2.65 -0.11 0.00 0.21 0.00 0.00 66.02 63.47 1mc9 s SER 68 CO 0.00 -0.83 1.40 -0.75 0.41 0.00 0.00 173.24 173.47 1mc9 s LYS 69 N -1.32 4.23 -0.18 12.44 2.20 -1.26 -1.08 119.74 134.77 1mc9 s LYS 69 Ca 0.57 2.39 -0.07 0.00 -0.36 0.00 0.00 55.97 58.50 1mc9 s LYS 69 Cb -0.46 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1mc9 s LYS 69 CO 0.55 -0.37 0.04 0.08 -0.36 0.00 0.00 175.35 175.29 1mc9 s VAL 70 N -1.03 4.59 0.21 4.02 1.01 -1.08 -1.31 120.40 126.81 1mc9 s VAL 70 Ca 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1mc9 s VAL 70 Cb -0.43 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1mc9 s VAL 70 CO 0.57 0.46 0.14 0.00 0.00 0.00 0.00 175.10 176.26 1mc9 s GLN 71 N 0.46 1.23 0.30 2.72 -2.07 0.17 -1.00 119.66 121.47 1mc9 s GLN 71 Ca 0.02 -1.65 -0.09 0.00 -1.82 0.00 0.00 55.36 51.82 1mc9 s GLN 71 Cb -0.13 0.26 -0.06 0.00 -1.09 0.00 0.00 33.01 31.99 1mc9 s GLN 71 CO 0.01 -0.40 0.62 0.96 -1.32 0.00 0.00 175.29 175.16 1mc9 s ILE 72 N -4.12 4.90 -0.05 3.63 -4.36 -0.47 -0.63 121.20 120.12 1mc9 s ILE 72 Ca 0.39 0.41 -0.28 0.00 -0.26 0.00 0.00 60.65 60.91 1mc9 s ILE 72 Cb 0.07 -3.68 0.06 0.00 1.25 0.00 0.00 42.46 40.16 1mc9 s ILE 72 CO 0.13 -0.28 0.62 -0.47 0.24 0.00 0.00 174.94 175.18 1mc9 s TYR 73 N -2.06 -0.59 0.14 1.37 5.04 -0.67 -1.34 117.35 119.25 1mc9 s TYR 73 Ca 0.48 1.00 -0.34 0.00 -2.44 0.00 0.00 57.07 55.77 1mc9 s TYR 73 Cb -0.11 0.36 -0.16 0.00 0.35 0.00 0.00 41.96 42.41 1mc9 s TYR 73 CO 0.26 -0.57 1.28 0.43 -1.34 0.00 0.00 175.55 175.60 1mc9 n SER 74 N 0.98 1.65 -4.74 4.32 7.64 -1.26 -0.01 113.62 122.20 1mc9 n SER 74 Ca -0.19 1.13 -0.41 0.00 1.01 0.00 0.00 58.87 60.40 1mc9 n SER 74 Cb 0.57 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 1mc9 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mc9 n TRP 76 N 2.49 0.00 0.00 0.00 4.27 -1.26 -5.02 117.44 117.92 1mc9 n TRP 76 Ca 0.07 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.68 1mc9 n TRP 76 Cb 0.41 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.36 1mc9 n TRP 76 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1mc9 n GLY 77 N 0.00 0.58 3.76 -1.67 0.00 -1.26 -5.08 105.19 101.52 1mc9 n GLY 77 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1mc9 n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mc9 s GLY 78 N -0.85 2.71 0.49 -0.02 0.00 -1.26 -4.92 107.32 103.48 1mc9 s GLY 78 Ca 0.00 0.95 0.28 0.00 0.00 0.00 0.00 44.72 45.95 1mc9 s GLY 78 CO 0.00 1.34 1.92 -0.55 0.00 0.00 0.00 173.10 175.80 1mc9 h ASP 79 N 1.04 0.00 0.17 1.64 3.32 -1.98 -1.21 116.42 119.40 1mc9 h ASP 79 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1mc9 h ASP 79 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1mc9 h ASP 79 CO 0.56 0.13 0.00 -0.46 -1.72 0.00 0.00 179.24 177.75 1mc9 n ASN 80 N -3.32 0.00 -0.77 6.45 6.94 -1.26 -2.15 115.26 121.15 1mc9 n ASN 80 Ca -0.00 -0.44 0.07 0.00 -0.02 0.00 0.00 54.58 54.19 1mc9 n ASN 80 Cb 0.36 -0.12 0.20 0.00 -2.36 0.00 0.00 39.78 37.86 1mc9 n ASN 80 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mc9 n GLN 81 N -1.12 2.94 -4.65 -3.83 6.02 -0.46 -1.18 117.38 115.11 1mc9 n GLN 81 Ca 0.15 -2.33 -0.34 0.00 -0.01 0.00 0.00 57.00 54.47 1mc9 n GLN 81 Cb 0.12 -1.47 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 1mc9 n GLN 81 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1mc9 s LYS 82 N -1.56 2.74 -0.00 -1.09 1.02 -0.91 -4.11 119.74 115.82 1mc9 s LYS 82 Ca 0.30 -0.56 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 1mc9 s LYS 82 Cb 0.20 -2.57 -0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1mc9 s LYS 82 CO 0.15 0.65 0.04 -1.58 -0.92 0.00 0.00 175.35 173.69 1mc9 s TRP 83 N -0.79 0.05 -0.23 3.18 0.52 0.80 -1.54 118.94 120.93 1mc9 s TRP 83 Ca 0.12 -0.10 -0.02 0.00 0.02 0.00 0.00 56.10 56.12 1mc9 s TRP 83 Cb -0.11 -0.05 0.02 0.00 -1.15 0.00 0.00 33.47 32.17 1mc9 s TRP 83 CO 0.01 -0.11 -0.07 0.50 0.02 0.00 0.00 176.95 177.30 1mc9 s ARG 84 N -0.61 3.01 -0.24 4.98 3.52 -0.10 -4.71 118.95 124.80 1mc9 s ARG 84 Ca -0.07 -0.86 -0.19 0.00 -0.13 0.00 0.00 55.73 54.48 1mc9 s ARG 84 Cb -0.04 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1mc9 s ARG 84 CO -0.00 -0.32 0.57 -0.51 -0.81 0.00 0.00 175.30 174.23 1mc9 s LEU 85 N 1.36 4.08 0.99 -0.88 1.02 -1.26 -1.08 118.68 122.91 1mc9 s LEU 85 Ca 0.02 0.64 -0.16 0.00 0.02 0.00 0.00 54.13 54.65 1mc9 s LEU 85 Cb -0.15 -2.76 0.21 0.00 0.02 0.00 0.00 46.19 43.51 1mc9 s LEU 85 CO -0.05 -0.30 1.31 0.21 0.02 0.00 0.00 176.35 177.54 1mc9 s ASN 86 N 1.42 2.89 0.38 2.29 2.47 -0.03 -4.91 114.94 119.45 1mc9 s ASN 86 Ca 0.24 0.28 0.23 0.00 0.42 0.00 0.00 52.86 54.03 1mc9 s ASN 86 Cb -0.16 -0.32 0.27 0.00 -1.45 0.00 0.00 41.25 39.60 1mc9 s ASN 86 CO 0.09 -2.87 1.48 0.77 -3.72 0.00 0.00 177.10 172.85 1mc9 h SER 87 N -1.74 0.00 -0.36 -4.21 4.64 -1.97 -1.65 113.55 108.27 1mc9 h SER 87 Ca -0.44 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1mc9 h SER 87 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1mc9 h SER 87 CO 0.37 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.66 1mc9 n ASP 88 N -2.98 2.76 0.00 4.97 2.03 -1.26 -4.96 116.55 117.11 1mc9 n ASP 88 Ca 0.03 -1.91 0.00 0.00 0.52 0.00 0.00 54.79 53.43 1mc9 n ASP 88 Cb 0.53 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1mc9 n ASP 88 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mc9 n GLY 89 N 1.35 0.69 3.80 0.27 0.00 -0.62 -4.75 105.19 105.93 1mc9 n GLY 89 Ca 0.18 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1mc9 n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mc9 s SER 90 N -2.08 7.22 -0.35 1.61 0.01 -1.26 -0.24 113.70 118.61 1mc9 s SER 90 Ca 0.00 1.58 -0.01 0.00 1.31 0.00 0.00 55.95 58.84 1mc9 s SER 90 Cb 0.00 -2.48 0.09 0.00 0.21 0.00 0.00 66.02 63.84 1mc9 s SER 90 CO 0.00 0.06 0.08 -0.69 0.41 0.00 0.00 173.24 173.10 1mc9 s VAL 91 N -1.45 2.88 -0.17 3.43 1.01 -1.26 -0.85 120.40 123.99 1mc9 s VAL 91 Ca 0.43 -1.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.44 1mc9 s VAL 91 Cb -0.19 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1mc9 s VAL 91 CO 0.23 -0.44 0.11 -0.69 0.00 0.00 0.00 175.10 174.32 1mc9 s VAL 92 N 1.12 5.26 0.02 2.92 1.01 -0.24 -0.81 120.40 129.69 1mc9 s VAL 92 Ca 0.03 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1mc9 s VAL 92 Cb -0.21 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1mc9 s VAL 92 CO -0.04 0.49 1.12 -0.83 0.00 0.00 0.00 175.10 175.84 1mc9 s GLY 93 N -0.02 2.54 0.12 4.51 0.00 0.46 -0.93 107.32 114.01 1mc9 s GLY 93 Ca 0.09 0.71 -0.14 0.00 0.00 0.00 0.00 44.72 45.38 1mc9 s GLY 93 CO 0.00 1.94 1.52 -2.08 0.00 0.00 0.00 173.10 174.48 1mc9 h VAL 94 N 4.68 1.28 -0.59 1.40 2.07 -1.45 0.50 116.25 124.13 1mc9 h VAL 94 Ca -0.40 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 65.78 1mc9 h VAL 94 Cb 1.21 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1mc9 h VAL 94 CO 0.80 0.41 -0.03 -0.61 0.02 0.00 0.00 177.57 178.16 1mc9 h GLN 95 N 0.57 1.07 0.00 1.57 4.15 -1.78 -3.35 115.11 117.34 1mc9 h GLN 95 Ca 0.09 -0.36 -0.28 0.00 0.77 0.00 0.00 58.65 58.88 1mc9 h GLN 95 Cb 0.66 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.21 1mc9 h GLN 95 CO 0.05 1.06 -2.01 -1.13 -1.93 0.00 0.00 178.83 174.87 1mc9 n SER 96 N -4.17 0.38 -1.32 -0.69 3.41 -1.16 -4.97 113.62 105.10 1mc9 n SER 96 Ca 0.03 0.18 -0.16 0.00 -0.26 0.00 0.00 58.87 58.66 1mc9 n SER 96 Cb 0.36 0.66 -0.05 0.00 -0.26 0.00 0.00 64.21 64.92 1mc9 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mc9 n GLY 97 N 1.59 1.18 3.80 5.00 0.00 0.16 -5.02 105.19 111.91 1mc9 n GLY 97 Ca -0.22 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 1mc9 n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mc9 s LEU 98 N -3.74 3.50 0.07 0.99 1.43 -1.25 -4.70 118.68 114.98 1mc9 s LEU 98 Ca 0.00 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1mc9 s LEU 98 Cb 0.00 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1mc9 s LEU 98 CO 0.00 -0.29 -0.03 0.00 0.23 0.00 0.00 176.35 176.26 1mc9 n LEU 100 N 0.84 4.06 -3.72 0.00 4.77 0.01 -1.58 117.00 121.37 1mc9 n LEU 100 Ca -0.12 1.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.71 1mc9 n LEU 100 Cb 0.52 -1.56 -0.15 0.00 -2.33 0.00 0.00 43.42 39.91 1mc9 n LEU 100 CO 0.36 0.19 -0.23 -0.62 -1.33 0.00 0.00 177.39 175.76 1mc9 s ASP 101 N 2.40 0.22 -0.29 -1.43 -1.08 0.07 -4.41 116.67 112.16 1mc9 s ASP 101 Ca 0.80 0.31 -0.29 0.00 -0.52 0.00 0.00 52.55 52.85 1mc9 s ASP 101 Cb -0.48 0.21 0.01 0.00 -1.46 0.00 0.00 42.92 41.20 1mc9 s ASP 101 CO 0.36 -0.19 1.13 0.00 0.52 0.00 0.00 175.17 176.99 1mc9 s ALA 102 N 1.60 3.51 0.08 3.66 0.00 -0.70 -0.96 121.76 128.96 1mc9 s ALA 102 Ca -0.04 0.05 -0.36 0.00 0.00 0.00 0.00 51.96 51.60 1mc9 s ALA 102 Cb -0.12 -3.67 -0.15 0.00 0.00 0.00 0.00 23.12 19.18 1mc9 s ALA 102 CO -0.06 -1.46 1.50 0.28 0.00 0.00 0.00 175.76 176.02 1mc9 n VAL 103 N 5.82 0.06 -1.89 0.00 0.31 -0.21 -2.22 118.33 120.19 1mc9 n VAL 103 Ca 0.13 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.31 1mc9 n VAL 103 Cb 0.47 -1.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.17 1mc9 n VAL 103 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1mc9 n GLY 104 N 3.11 0.48 2.78 2.92 0.00 -1.26 -1.73 105.19 111.49 1mc9 n GLY 104 Ca 0.19 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 1mc9 n GLY 104 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1mc9 n ASN 105 N -0.39 -4.25 -4.77 1.61 4.05 -0.94 -4.94 115.26 105.62 1mc9 n ASN 105 Ca -0.15 -0.05 -0.35 0.00 0.45 0.00 0.00 54.58 54.48 1mc9 n ASN 105 Cb 0.54 -3.55 0.01 0.00 1.23 0.00 0.00 39.78 38.01 1mc9 n ASN 105 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1mc9 s GLY 106 N -2.32 2.62 0.00 8.20 0.00 -0.71 -4.98 107.32 110.14 1mc9 s GLY 106 Ca 0.15 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1mc9 s GLY 106 CO 0.19 1.20 0.00 -1.30 0.00 0.00 0.00 173.10 173.19 1mc9 n THR 107 N -1.43 0.00 -1.93 0.90 -2.24 -1.26 -4.82 114.28 103.51 1mc9 n THR 107 Ca 0.12 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 1mc9 n THR 107 Cb 0.51 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.47 1mc9 n THR 107 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mc9 s ALA 108 N -1.05 3.09 0.10 6.98 0.00 -1.26 -4.81 121.76 124.82 1mc9 s ALA 108 Ca 0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 51.96 51.55 1mc9 s ALA 108 Cb 0.00 -3.09 -0.17 0.00 0.00 0.00 0.00 23.12 19.86 1mc9 s ALA 108 CO 0.00 -0.64 1.15 0.09 0.00 0.00 0.00 175.76 176.36 1mc9 n ASN 109 N -2.62 0.93 0.00 0.00 3.02 -1.26 -1.95 115.26 113.38 1mc9 n ASN 109 Ca 0.06 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.75 1mc9 n ASN 109 Cb 0.54 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1mc9 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mc9 n GLY 110 N 2.06 0.85 3.74 7.41 0.00 -0.36 -5.01 105.19 113.87 1mc9 n GLY 110 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1mc9 n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mc9 s THR 111 N -2.45 3.01 0.67 2.61 -4.23 -0.82 -4.74 115.64 109.68 1mc9 s THR 111 Ca 0.00 0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 61.22 1mc9 s THR 111 Cb 0.00 -3.52 -0.01 0.00 1.34 0.00 0.00 72.50 70.31 1mc9 s THR 111 CO 0.00 0.11 1.05 -0.76 -0.54 0.00 0.00 174.62 174.49 1mc9 s LEU 112 N 0.01 3.13 -0.07 4.79 1.43 -1.26 -1.19 118.68 125.52 1mc9 s LEU 112 Ca 0.59 1.48 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1mc9 s LEU 112 Cb -0.39 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.39 1mc9 s LEU 112 CO 0.38 -1.22 -0.11 -0.63 0.23 0.00 0.00 176.35 175.00 1mc9 s ILE 113 N -3.13 3.29 0.23 -0.59 -1.09 -0.45 -1.05 121.20 118.42 1mc9 s ILE 113 Ca 0.57 -0.62 0.00 0.00 -2.23 0.00 0.00 60.65 58.37 1mc9 s ILE 113 Cb -0.13 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1mc9 s ILE 113 CO 0.54 0.58 0.17 0.00 -1.23 0.00 0.00 174.94 175.00 1mc9 s GLN 114 N -0.54 1.33 0.19 2.79 -2.07 -0.13 -2.64 119.66 118.59 1mc9 s GLN 114 Ca 0.08 -1.70 -0.22 0.00 -1.82 0.00 0.00 55.36 51.69 1mc9 s GLN 114 Cb -0.12 0.29 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 1mc9 s GLN 114 CO 0.02 -0.45 0.74 -0.51 -1.32 0.00 0.00 175.29 173.76 1mc9 s LEU 115 N -3.20 4.47 -0.01 2.60 1.43 -0.24 -0.75 118.68 122.97 1mc9 s LEU 115 Ca 0.39 1.52 -0.24 0.00 -1.03 0.00 0.00 54.13 54.77 1mc9 s LEU 115 Cb 0.06 -3.42 0.05 0.00 0.03 0.00 0.00 46.19 42.91 1mc9 s LEU 115 CO 0.15 0.13 0.52 -0.47 0.23 0.00 0.00 176.35 176.91 1mc9 s TYR 116 N -1.33 -0.44 -0.26 0.29 5.04 -0.62 -0.65 117.35 119.38 1mc9 s TYR 116 Ca 0.39 0.68 -0.43 0.00 -2.44 0.00 0.00 57.07 55.27 1mc9 s TYR 116 Cb -0.20 0.29 -0.19 0.00 0.35 0.00 0.00 41.96 42.21 1mc9 s TYR 116 CO 0.23 -0.55 1.40 2.41 -1.34 0.00 0.00 175.55 177.70 1mc9 n THR 117 N 0.90 0.03 -1.75 4.34 -1.04 -1.26 -1.07 114.28 114.43 1mc9 n THR 117 Ca -0.20 -0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.39 1mc9 n THR 117 Cb 0.57 -0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 68.67 1mc9 n THR 117 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mc9 n SER 119 N 3.15 -0.19 -1.62 0.00 3.41 -1.26 -5.05 113.62 112.06 1mc9 n SER 119 Ca 0.12 -1.57 0.09 0.00 -0.26 0.00 0.00 58.87 57.25 1mc9 n SER 119 Cb 0.36 0.45 0.36 0.00 -0.26 0.00 0.00 64.21 65.12 1mc9 n SER 119 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1mc9 n ASN 120 N -2.63 4.82 -4.76 4.04 3.02 -1.26 -4.96 115.26 113.53 1mc9 n ASN 120 Ca 0.02 -2.48 -0.39 0.00 -0.03 0.00 0.00 54.58 51.70 1mc9 n ASN 120 Cb 0.16 -0.59 0.02 0.00 -0.61 0.00 0.00 39.78 38.76 1mc9 n ASN 120 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1mc9 s GLY 121 N -0.87 2.91 0.23 7.41 0.00 -1.26 -4.90 107.32 110.83 1mc9 s GLY 121 Ca 0.51 1.38 0.25 0.00 0.00 0.00 0.00 44.72 46.86 1mc9 s GLY 121 CO 0.24 1.97 1.74 -1.14 0.00 0.00 0.00 173.10 175.91 1mc9 n SER 122 N -0.32 0.71 0.00 1.64 3.41 -1.26 -1.73 113.62 116.06 1mc9 n SER 122 Ca 0.06 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.43 1mc9 n SER 122 Cb 0.43 -0.79 0.79 0.00 -0.26 0.00 0.00 64.21 64.38 1mc9 n SER 122 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1mc9 n ASN 123 N -2.22 0.00 -0.20 4.04 6.94 -1.26 -1.79 115.26 120.76 1mc9 n ASN 123 Ca 0.04 -0.92 0.05 0.00 -0.02 0.00 0.00 54.58 53.73 1mc9 n ASN 123 Cb 0.31 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 37.83 1mc9 n ASN 123 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1mc9 n GLN 124 N -0.98 2.41 -4.76 -3.83 6.02 -0.71 -1.72 117.38 113.82 1mc9 n GLN 124 Ca 0.20 -2.07 -0.33 0.00 -0.01 0.00 0.00 57.00 54.79 1mc9 n GLN 124 Cb 0.09 -1.29 -0.13 0.00 1.02 0.00 0.00 30.24 29.93 1mc9 n GLN 124 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1mc9 s ARG 125 N -1.81 2.88 -0.01 -1.09 1.81 -1.15 -4.18 118.95 115.41 1mc9 s ARG 125 Ca 0.18 -0.65 -0.00 0.00 -1.72 0.00 0.00 55.73 53.54 1mc9 s ARG 125 Cb 0.14 -2.53 0.01 0.00 -0.45 0.00 0.00 34.95 32.11 1mc9 s ARG 125 CO 0.04 0.50 0.01 -1.58 -0.68 0.00 0.00 175.30 173.59 1mc9 s TRP 126 N -0.38 -0.00 0.27 -0.53 0.52 0.67 -0.96 118.94 118.53 1mc9 s TRP 126 Ca 0.05 0.04 0.11 0.00 0.02 0.00 0.00 56.10 56.31 1mc9 s TRP 126 Cb -0.12 -0.04 -0.05 0.00 -1.15 0.00 0.00 33.47 32.11 1mc9 s TRP 126 CO 0.02 -0.02 -0.13 0.95 0.02 0.00 0.00 176.95 177.79 1mc9 s THR 127 N 0.17 2.82 0.00 2.01 -4.23 -0.32 -4.47 115.64 111.62 1mc9 s THR 127 Ca -0.01 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.27 1mc9 s THR 127 Cb -0.02 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1mc9 s THR 127 CO -0.00 -0.38 0.00 -1.14 -0.54 0.00 0.00 174.62 172.55 1mc9 n ARG 128 N -0.69 0.00 0.00 3.99 3.00 -1.26 -1.53 116.66 120.16 1mc9 n ARG 128 Ca -0.06 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.87 1mc9 n ARG 128 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.12 1mc9 n ARG 128 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26