#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m s LYS 2 N 0.00 2.46 0.00 3.49 0.00 -1.26 -3.93 119.74 120.49 2k8m s LYS 2 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 55.97 55.23 2k8m s LYS 2 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 37.83 35.45 2k8m s LYS 2 CO 0.00 0.61 0.01 -0.11 0.00 0.00 0.00 175.35 175.86 2k8m n LEU 3 N 2.06 0.00 0.00 2.77 7.94 -1.00 -3.96 117.00 124.81 2k8m n LEU 3 Ca -0.17 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 2k8m n LEU 3 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2k8m n LEU 3 CO 0.27 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 2k8m n GLY 4 N 0.00 0.27 3.02 -3.96 0.00 -1.24 -3.96 105.19 99.32 2k8m n GLY 4 Ca 0.00 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 2k8m n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8m s LYS 5 N 0.00 0.41 -0.14 1.61 1.02 -0.90 -0.41 119.74 121.33 2k8m s LYS 5 Ca 0.00 -0.70 0.01 0.00 0.02 0.00 0.00 55.97 55.30 2k8m s LYS 5 Cb 0.00 -0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.29 2k8m s LYS 5 CO 0.00 -0.02 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.08 2k8m s LEU 6 N -1.60 1.83 -0.15 3.17 0.20 0.87 -1.30 118.68 121.71 2k8m s LEU 6 Ca -0.12 -0.51 -0.20 0.00 0.69 0.00 0.00 54.13 53.99 2k8m s LEU 6 Cb -0.09 -1.24 -0.03 0.00 -0.43 0.00 0.00 46.19 44.39 2k8m s LEU 6 CO -0.01 -0.00 0.56 -1.10 -0.29 0.00 0.00 176.35 175.51 2k8m s GLN 7 N 1.20 4.29 0.11 1.98 -1.52 0.42 -1.46 119.66 124.68 2k8m s GLN 7 Ca -0.00 0.55 -0.17 0.00 -1.95 0.00 0.00 55.36 53.79 2k8m s GLN 7 Cb -0.14 -3.50 0.04 0.00 -0.22 0.00 0.00 33.01 29.19 2k8m s GLN 7 CO -0.07 -0.03 0.42 1.52 -0.25 0.00 0.00 175.29 176.88 2k8m s TYR 8 N 1.20 -0.24 -0.22 0.91 1.13 -1.14 -0.53 117.35 118.47 2k8m s TYR 8 Ca 0.28 -0.02 -0.03 0.00 -1.41 0.00 0.00 57.07 55.88 2k8m s TYR 8 Cb -0.16 0.27 0.07 0.00 -1.10 0.00 0.00 41.96 41.04 2k8m s TYR 8 CO 0.11 -0.69 0.07 -1.54 -2.51 0.00 0.00 175.55 170.99 2k8m s SER 9 N -2.66 3.03 -0.19 -0.18 1.04 -0.09 -2.56 113.70 112.08 2k8m s SER 9 Ca 0.01 -0.95 -0.11 0.00 0.48 0.00 0.00 55.95 55.39 2k8m s SER 9 Cb 0.01 -0.53 -0.05 0.00 0.10 0.00 0.00 66.02 65.56 2k8m s SER 9 CO -0.10 -0.35 0.16 -0.76 0.98 0.00 0.00 173.24 173.17 2k8m s LEU 10 N 1.92 4.21 0.27 2.42 1.43 -0.02 -3.17 118.68 125.74 2k8m s LEU 10 Ca 0.02 0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.45 2k8m s LEU 10 Cb -0.17 -2.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 2k8m s LEU 10 CO -0.14 0.16 -0.02 1.51 0.23 0.00 0.00 176.35 178.09 2k8m s ASP 11 N 0.39 2.39 0.07 2.29 1.47 -1.06 0.40 116.67 122.61 2k8m s ASP 11 Ca 0.10 -1.23 0.10 0.00 1.18 0.00 0.00 52.55 52.70 2k8m s ASP 11 Cb -0.11 -0.10 -0.03 0.00 -0.34 0.00 0.00 42.92 42.34 2k8m s ASP 11 CO -0.01 -0.44 -0.26 -0.72 0.68 0.00 0.00 175.17 174.42 2k8m s TYR 12 N -3.19 2.30 -0.10 2.11 1.13 -1.26 0.14 117.35 118.48 2k8m s TYR 12 Ca 0.30 -0.40 0.04 0.00 -1.41 0.00 0.00 57.07 55.60 2k8m s TYR 12 Cb 0.05 -1.34 0.00 0.00 -1.10 0.00 0.00 41.96 39.58 2k8m s TYR 12 CO 0.11 0.19 -0.23 0.34 -2.51 0.00 0.00 175.55 173.45 2k8m s ASP 13 N -1.49 3.01 0.00 -0.18 -1.08 0.34 -4.92 116.67 112.35 2k8m s ASP 13 Ca 0.12 -0.54 0.23 0.00 -0.52 0.00 0.00 52.55 51.84 2k8m s ASP 13 Cb -0.10 -1.37 0.13 0.00 -1.46 0.00 0.00 42.92 40.12 2k8m s ASP 13 CO 0.03 0.15 1.20 2.22 0.52 0.00 0.00 175.17 179.30 2k8m n PHE 14 N 3.53 0.00 0.14 -5.34 1.16 -1.26 -1.95 117.46 113.74 2k8m n PHE 14 Ca -0.19 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.44 2k8m n PHE 14 Cb 0.53 -0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.43 2k8m n PHE 14 CO 0.00 0.00 0.00 -0.56 -1.87 0.00 0.00 176.76 174.33 2k8m h GLN 15 N 3.66 0.00 0.00 3.97 3.07 -1.96 -3.36 115.11 120.49 2k8m h GLN 15 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k8m h GLN 15 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.44 2k8m h GLN 15 CO 0.00 0.30 0.00 0.27 0.09 0.00 0.00 178.83 179.49 2k8m n ASN 16 N -3.08 0.21 -2.89 0.06 0.23 -1.26 -5.07 115.26 103.47 2k8m n ASN 16 Ca 0.00 -0.62 -0.01 0.00 -0.53 0.00 0.00 54.58 53.42 2k8m n ASN 16 Cb 0.69 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.58 2k8m n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k8m n ASN 17 N -0.19 -7.29 -3.59 0.53 3.02 -0.95 -4.85 115.26 101.94 2k8m n ASN 17 Ca 0.00 0.01 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 2k8m n ASN 17 Cb 0.08 -4.93 -0.04 0.00 -0.61 0.00 0.00 39.78 34.28 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8m s GLN 18 N -2.93 1.08 -0.26 3.52 1.03 -0.82 -1.98 119.66 119.30 2k8m s GLN 18 Ca 0.03 -0.57 -0.08 0.00 0.04 0.00 0.00 55.36 54.78 2k8m s GLN 18 Cb -0.01 0.48 -0.02 0.00 0.03 0.00 0.00 33.01 33.49 2k8m s GLN 18 CO 0.68 -0.42 0.09 -0.51 -2.54 0.00 0.00 175.29 172.58 2k8m s LEU 19 N -2.61 3.59 -0.72 2.60 1.43 -0.38 -0.51 118.68 122.09 2k8m s LEU 19 Ca 0.01 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.55 2k8m s LEU 19 Cb 0.01 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.30 2k8m s LEU 19 CO -0.10 -0.07 1.48 -0.22 0.23 0.00 0.00 176.35 177.67 2k8m s LEU 20 N 1.61 3.21 -1.08 1.79 1.98 0.12 -2.30 118.68 124.01 2k8m s LEU 20 Ca 0.06 -0.25 -0.21 0.00 -2.89 0.00 0.00 54.13 50.83 2k8m s LEU 20 Cb -0.16 -2.55 0.06 0.00 0.66 0.00 0.00 46.19 44.21 2k8m s LEU 20 CO 0.04 -2.01 1.49 -0.69 -1.89 0.00 0.00 176.35 173.29 2k8m s VAL 21 N 6.84 4.05 -0.61 1.68 1.01 -0.94 -2.57 120.40 129.87 2k8m s VAL 21 Ca 0.46 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 2k8m s VAL 21 Cb -0.09 -5.07 0.14 0.00 0.00 0.00 0.00 36.38 31.36 2k8m s VAL 21 CO 0.15 -1.92 0.60 -0.83 0.00 0.00 0.00 175.10 173.10 2k8m s GLY 22 N 4.66 2.11 0.08 4.51 0.00 -1.19 -2.53 107.32 114.96 2k8m s GLY 22 Ca 0.47 -2.60 -0.21 0.00 0.00 0.00 0.00 44.72 42.38 2k8m s GLY 22 CO -0.06 1.31 0.62 -0.26 0.00 0.00 0.00 173.10 174.72 2k8m s ILE 23 N 1.64 4.67 -0.04 0.90 -0.00 -1.23 -0.91 121.20 126.23 2k8m s ILE 23 Ca 0.08 1.33 -0.03 0.00 -0.00 0.00 0.00 60.65 62.03 2k8m s ILE 23 Cb -0.25 -3.96 -0.01 0.00 -0.00 0.00 0.00 42.46 38.24 2k8m s ILE 23 CO 0.02 0.53 -0.06 -0.38 -0.00 0.00 0.00 174.94 175.04 2k8m n ILE 24 N 1.81 0.43 -3.60 8.37 5.41 0.31 -3.86 119.36 128.24 2k8m n ILE 24 Ca -0.09 0.41 -0.07 0.00 1.00 0.00 0.00 62.75 64.00 2k8m n ILE 24 Cb 0.50 -1.77 -0.02 0.00 -0.71 0.00 0.00 39.64 37.65 2k8m n ILE 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k8m s GLN 25 N -1.41 1.14 0.07 0.38 -2.07 -1.05 -3.53 119.66 113.19 2k8m s GLN 25 Ca -0.05 -0.52 0.08 0.00 -1.82 0.00 0.00 55.36 53.05 2k8m s GLN 25 Cb 0.01 0.46 -0.03 0.00 -1.09 0.00 0.00 33.01 32.35 2k8m s GLN 25 CO 0.08 -0.51 -0.22 0.00 -1.32 0.00 0.00 175.29 173.32 2k8m s ALA 26 N -3.39 1.88 0.06 2.60 0.00 -1.24 -0.44 121.76 121.23 2k8m s ALA 26 Ca 0.07 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2k8m s ALA 26 Cb -0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 2k8m s ALA 26 CO -0.05 0.41 -0.05 0.00 0.00 0.00 0.00 175.76 176.08 2k8m s ALA 27 N -0.95 0.57 -0.95 0.00 0.00 -0.42 -3.72 121.76 116.29 2k8m s ALA 27 Ca 0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 2k8m s ALA 27 Cb -0.09 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2k8m s ALA 27 CO 0.03 -0.23 0.54 0.39 0.00 0.00 0.00 175.76 176.49 2k8m n GLU 28 N 0.61 -3.94 -2.72 0.00 1.02 -1.26 -2.12 120.64 112.22 2k8m n GLU 28 Ca -0.17 0.56 -0.41 0.00 -0.02 0.00 0.00 57.16 57.13 2k8m n GLU 28 Cb 0.59 -4.73 -0.05 0.00 -0.02 0.00 0.00 31.44 27.22 2k8m n GLU 28 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k8m s LEU 29 N -4.69 4.58 0.63 -4.62 1.43 -1.25 -3.67 118.68 111.09 2k8m s LEU 29 Ca 0.27 1.90 -0.17 0.00 -1.03 0.00 0.00 54.13 55.10 2k8m s LEU 29 Cb -0.12 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 2k8m s LEU 29 CO 0.33 0.04 1.14 -2.84 0.23 0.00 0.00 176.35 175.25 2k8m s PRO 30 N -0.65 2.85 0.59 1.29 0.02 -1.26 -4.95 135.00 132.89 2k8m s PRO 30 Ca 0.44 1.55 -0.09 0.00 0.02 0.00 0.00 61.00 62.92 2k8m s PRO 30 Cb -0.25 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.29 2k8m s PRO 30 CO 0.31 -1.24 0.97 0.00 -0.33 0.00 0.00 177.00 176.71 2k8m s ALA 31 N -2.06 3.18 0.20 -1.55 0.00 -1.26 -4.79 121.76 115.48 2k8m s ALA 31 Ca 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2k8m s ALA 31 Cb -0.24 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2k8m s ALA 31 CO 0.37 -0.62 0.00 -0.11 0.00 0.00 0.00 175.76 175.41 2k8m n LEU 32 N -2.63 -0.22 -4.74 0.00 -0.00 -0.39 -4.95 117.00 104.07 2k8m n LEU 32 Ca 0.05 0.35 -0.37 0.00 -0.00 0.00 0.00 56.01 56.04 2k8m n LEU 32 Cb 0.54 0.37 0.06 0.00 -0.00 0.00 0.00 43.42 44.39 2k8m n LEU 32 CO 0.57 -0.68 0.91 -0.62 -0.00 0.00 0.00 177.39 177.57 2k8m s ASP 33 N -4.90 4.85 -0.47 1.96 2.15 0.29 -4.87 116.67 115.68 2k8m s ASP 33 Ca 0.00 2.61 -0.27 0.00 0.43 0.00 0.00 52.55 55.31 2k8m s ASP 33 Cb 0.00 -2.62 -0.02 0.00 -0.30 0.00 0.00 42.92 39.98 2k8m s ASP 33 CO 0.00 -1.84 1.83 -0.32 -0.17 0.00 0.00 175.17 174.67 2k8m s MET 34 N -3.27 2.97 0.00 4.34 -2.45 -1.26 -2.98 119.30 116.65 2k8m s MET 34 Ca 0.79 1.03 0.00 0.00 -1.25 0.00 0.00 55.69 56.26 2k8m s MET 34 Cb -0.37 -4.29 0.00 0.00 1.25 0.00 0.00 34.83 31.42 2k8m s MET 34 CO 0.40 -2.30 0.00 0.41 1.05 0.00 0.00 175.02 174.58 2k8m n GLY 35 N 5.55 0.12 0.74 2.11 0.00 -1.26 -4.88 105.19 107.58 2k8m n GLY 35 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2k8m n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8m n GLY 36 N 0.00 0.92 1.93 -0.02 0.00 -1.16 -5.07 105.19 101.79 2k8m n GLY 36 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 2k8m n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8m n THR 37 N -2.31 0.00 -3.83 2.61 -1.04 -1.24 -4.81 114.28 103.66 2k8m n THR 37 Ca 0.00 -1.45 -0.08 0.00 -2.04 0.00 0.00 64.05 60.48 2k8m n THR 37 Cb 0.04 0.69 -0.03 0.00 -1.82 0.00 0.00 70.33 69.21 2k8m n THR 37 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2k8m s SER 38 N -2.41 -0.24 -0.65 8.00 1.04 -1.26 -0.55 113.70 117.64 2k8m s SER 38 Ca 0.22 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 56.09 2k8m s SER 38 Cb 0.01 0.65 0.26 0.00 0.10 0.00 0.00 66.02 67.04 2k8m s SER 38 CO 0.15 -1.20 0.81 0.47 0.98 0.00 0.00 173.24 174.45 2k8m n ASP 39 N -0.41 3.98 -4.75 7.02 9.92 -1.26 -1.97 116.55 129.09 2k8m n ASP 39 Ca -0.06 -3.48 -0.38 0.00 -0.53 0.00 0.00 54.79 50.34 2k8m n ASP 39 Cb 0.61 -0.68 -0.06 0.00 -0.64 0.00 0.00 41.12 40.35 2k8m n ASP 39 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2k8m s PRO 40 N -2.64 4.28 0.06 -0.24 0.04 -1.25 -0.55 135.00 134.70 2k8m s PRO 40 Ca 0.41 0.50 0.06 0.00 0.04 0.00 0.00 61.00 62.01 2k8m s PRO 40 Cb 0.16 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2k8m s PRO 40 CO -0.02 0.27 -0.17 1.52 0.04 0.00 0.00 177.00 178.64 2k8m s TYR 41 N 0.22 1.45 -0.31 0.56 1.13 0.11 -3.94 117.35 116.57 2k8m s TYR 41 Ca 0.27 -0.40 -0.25 0.00 -1.41 0.00 0.00 57.07 55.28 2k8m s TYR 41 Cb -0.16 -0.83 0.00 0.00 -1.10 0.00 0.00 41.96 39.87 2k8m s TYR 41 CO 0.12 0.09 0.84 0.14 -2.51 0.00 0.00 175.55 174.23 2k8m s VAL 42 N -1.02 4.74 -0.28 -3.49 -7.23 -1.26 -0.63 120.40 111.23 2k8m s VAL 42 Ca 0.03 1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 61.42 2k8m s VAL 42 Cb -0.09 -4.20 0.01 0.00 0.56 0.00 0.00 36.38 32.65 2k8m s VAL 42 CO 0.02 -0.30 0.06 -1.59 -0.31 0.00 0.00 175.10 172.98 2k8m s LYS 43 N 3.10 3.14 0.13 4.82 -2.85 0.61 -4.05 119.74 124.64 2k8m s LYS 43 Ca 0.35 -0.82 -0.30 0.00 -1.00 0.00 0.00 55.97 54.20 2k8m s LYS 43 Cb -0.14 -3.31 -0.07 0.00 -2.06 0.00 0.00 37.83 32.26 2k8m s LYS 43 CO 0.13 -0.40 1.12 0.14 0.10 0.00 0.00 175.35 176.44 2k8m s VAL 44 N 1.49 4.00 0.12 1.79 -7.23 -1.24 -2.01 120.40 117.32 2k8m s VAL 44 Ca 0.03 1.61 0.04 0.00 -1.81 0.00 0.00 61.98 61.85 2k8m s VAL 44 Cb -0.17 -4.03 -0.04 0.00 0.56 0.00 0.00 36.38 32.71 2k8m s VAL 44 CO 0.01 0.22 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.56 2k8m s PHE 45 N 0.23 1.18 0.36 2.82 0.40 -0.14 -4.14 117.98 118.69 2k8m s PHE 45 Ca 0.52 -0.69 0.05 0.00 -0.60 0.00 0.00 56.93 56.21 2k8m s PHE 45 Cb -0.29 -0.62 -0.07 0.00 0.51 0.00 0.00 43.02 42.55 2k8m s PHE 45 CO 0.33 0.05 0.05 -0.51 0.70 0.00 0.00 175.22 175.83 2k8m s LEU 46 N -2.74 2.37 0.00 -0.37 2.01 -1.26 -1.81 118.68 116.88 2k8m s LEU 46 Ca 0.10 -1.40 0.00 0.00 0.01 0.00 0.00 54.13 52.85 2k8m s LEU 46 Cb -0.01 -0.52 0.00 0.00 0.01 0.00 0.00 46.19 45.67 2k8m s LEU 46 CO 0.00 -0.58 0.00 0.00 1.01 0.00 0.00 176.35 176.78 2k8m n LEU 47 N -0.79 0.00 0.10 1.79 -0.00 -1.23 -4.67 117.00 112.20 2k8m n LEU 47 Ca -0.04 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.08 2k8m n LEU 47 Cb 0.67 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.26 2k8m n LEU 47 CO 0.44 -0.33 1.04 -2.65 -0.00 0.00 0.00 177.39 175.89 2k8m n PRO 48 N -0.61 0.02 0.13 1.47 -0.02 -1.26 -1.61 135.00 133.12 2k8m n PRO 48 Ca 0.00 0.92 -0.12 0.00 -2.02 0.00 0.00 63.50 62.27 2k8m n PRO 48 Cb 0.00 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.01 2k8m n PRO 48 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k8m h ASP 49 N 0.00 -1.09 -2.14 2.55 3.58 -1.93 -3.45 116.42 113.93 2k8m h ASP 49 Ca 0.19 0.11 -0.27 0.00 0.42 0.00 0.00 57.03 57.48 2k8m h ASP 49 Cb 2.24 0.39 -0.08 0.00 1.72 0.00 0.00 39.33 43.60 2k8m h ASP 49 CO -0.00 -0.43 -0.28 0.29 -2.88 0.00 0.00 179.24 175.94 2k8m n LYS 50 N -4.61 -1.57 -1.16 0.28 4.76 -0.64 -4.82 118.16 110.39 2k8m n LYS 50 Ca -0.07 0.73 -0.27 0.00 -2.87 0.00 0.00 58.31 55.83 2k8m n LYS 50 Cb 0.31 -5.10 0.08 0.00 -1.84 0.00 0.00 35.03 28.48 2k8m n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k8m n LYS 51 N -2.18 2.34 -3.65 1.97 5.02 -1.26 -4.85 118.16 115.55 2k8m n LYS 51 Ca -0.14 -2.66 -0.02 0.00 -2.02 0.00 0.00 58.31 53.46 2k8m n LYS 51 Cb 0.49 -2.04 -0.07 0.00 -0.02 0.00 0.00 35.03 33.39 2k8m n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k8m s LYS 52 N -3.08 0.02 0.04 1.97 -2.85 -1.26 -4.92 119.74 109.66 2k8m s LYS 52 Ca 0.52 0.02 -0.28 0.00 -1.00 0.00 0.00 55.97 55.24 2k8m s LYS 52 Cb 0.41 0.01 0.07 0.00 -2.06 0.00 0.00 37.83 36.27 2k8m s LYS 52 CO 0.00 -0.00 0.67 0.21 0.10 0.00 0.00 175.35 176.33 2k8m s LYS 53 N -0.06 1.12 -0.11 1.78 2.20 -1.26 -4.62 119.74 118.79 2k8m s LYS 53 Ca 0.08 -0.07 -0.26 0.00 -0.36 0.00 0.00 55.97 55.36 2k8m s LYS 53 Cb -0.05 0.52 0.06 0.00 -1.51 0.00 0.00 37.83 36.86 2k8m s LYS 53 CO -0.16 -0.42 0.62 0.12 -0.36 0.00 0.00 175.35 175.15 2k8m s PHE 54 N -2.33 -0.61 -0.14 4.03 5.36 -1.26 -5.07 117.98 117.96 2k8m s PHE 54 Ca -0.05 1.22 0.03 0.00 -0.96 0.00 0.00 56.93 57.16 2k8m s PHE 54 Cb -0.00 0.31 0.01 0.00 -0.34 0.00 0.00 43.02 43.00 2k8m s PHE 54 CO -0.01 -0.49 -0.22 -2.00 -1.46 0.00 0.00 175.22 171.04 2k8m s GLU 55 N -0.70 3.03 0.33 10.12 2.56 -1.26 -3.69 118.70 129.09 2k8m s GLU 55 Ca -0.08 -0.85 -0.02 0.00 0.00 0.00 0.00 54.97 54.02 2k8m s GLU 55 Cb -0.02 -2.43 0.07 0.00 2.00 0.00 0.00 34.13 33.75 2k8m s GLU 55 CO 0.06 0.01 0.45 0.25 -0.56 0.00 0.00 175.26 175.47 2k8m n THR 56 N 4.00 0.00 -3.09 -1.70 -2.24 -1.26 -5.05 114.28 104.94 2k8m n THR 56 Ca -0.20 -0.57 -0.39 0.00 -2.27 0.00 0.00 64.05 60.62 2k8m n THR 56 Cb 0.52 -1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 67.33 2k8m n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k8m s LYS 57 N -3.70 4.41 -0.12 -0.78 2.20 -1.26 -4.99 119.74 115.50 2k8m s LYS 57 Ca 0.28 0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 56.48 2k8m s LYS 57 Cb -0.01 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 2k8m s LYS 57 CO 0.19 0.26 1.88 0.54 -0.36 0.00 0.00 175.35 177.86 2k8m s VAL 58 N 0.10 3.30 -1.27 4.02 0.11 -1.26 -4.74 120.40 120.66 2k8m s VAL 58 Ca 0.35 0.35 -0.11 0.00 -2.93 0.00 0.00 61.98 59.64 2k8m s VAL 58 Cb -0.19 -3.29 0.16 0.00 -1.53 0.00 0.00 36.38 31.53 2k8m s VAL 58 CO 0.19 -0.11 1.80 1.41 -3.33 0.00 0.00 175.10 175.06 2k8m n HIS 59 N 8.85 3.42 -1.68 1.54 -0.00 -1.25 -4.98 115.22 121.11 2k8m n HIS 59 Ca 0.22 -2.92 -0.45 0.00 -0.00 0.00 0.00 57.72 54.56 2k8m n HIS 59 Cb 0.44 -2.04 -0.04 0.00 -0.00 0.00 0.00 29.99 28.35 2k8m n HIS 59 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2k8m n ARG 60 N 4.41 2.29 -3.54 -0.41 -4.01 -1.26 -3.10 116.66 111.04 2k8m n ARG 60 Ca 0.40 0.83 -0.26 0.00 -1.04 0.00 0.00 57.85 57.77 2k8m n ARG 60 Cb 0.38 -2.63 0.05 0.00 -3.04 0.00 0.00 32.46 27.22 2k8m n ARG 60 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 2k8m n LYS 61 N 4.16 -1.53 -3.66 2.89 4.76 -0.84 -4.96 118.16 118.98 2k8m n LYS 61 Ca 0.18 0.59 -0.07 0.00 -2.87 0.00 0.00 58.31 56.13 2k8m n LYS 61 Cb 0.30 -4.65 -0.09 0.00 -1.84 0.00 0.00 35.03 28.75 2k8m n LYS 61 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2k8m s THR 62 N -3.44 -0.67 -0.31 -0.18 2.01 -0.83 -4.92 115.64 107.30 2k8m s THR 62 Ca 0.47 0.13 0.23 0.00 0.31 0.00 0.00 61.69 62.83 2k8m s THR 62 Cb -0.14 -0.73 -0.03 0.00 0.01 0.00 0.00 72.50 71.61 2k8m s THR 62 CO 0.82 0.06 1.03 0.18 -0.69 0.00 0.00 174.62 176.02 2k8m n LEU 63 N 5.34 0.74 -3.90 4.42 4.77 -1.26 -4.51 117.00 122.59 2k8m n LEU 63 Ca -0.10 0.25 -0.28 0.00 -0.03 0.00 0.00 56.01 55.85 2k8m n LEU 63 Cb 0.50 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 2k8m n LEU 63 CO -0.00 -0.13 -0.08 0.21 -1.33 0.00 0.00 177.39 176.06 2k8m s ASN 64 N -4.99 4.63 -0.56 -1.43 2.47 -1.26 -4.13 114.94 109.67 2k8m s ASN 64 Ca 0.00 -3.63 -0.27 0.00 0.42 0.00 0.00 52.86 49.38 2k8m s ASN 64 Cb 0.11 -1.61 -0.00 0.00 -1.45 0.00 0.00 41.25 38.30 2k8m s ASN 64 CO 0.79 -0.12 1.65 -2.16 -3.72 0.00 0.00 177.10 173.54 2k8m s PRO 65 N -1.14 3.01 -0.75 0.43 0.04 -1.24 -4.88 135.00 130.47 2k8m s PRO 65 Ca 0.23 0.61 -0.00 0.00 0.04 0.00 0.00 61.00 61.88 2k8m s PRO 65 Cb -0.10 -4.25 0.37 0.00 0.04 0.00 0.00 34.50 30.56 2k8m s PRO 65 CO -0.13 -2.28 1.80 1.33 0.04 0.00 0.00 177.00 177.76 2k8m n VAL 66 N 7.06 3.30 0.03 -0.36 0.24 -1.26 -3.67 118.33 123.66 2k8m n VAL 66 Ca 0.17 -4.46 -0.02 0.00 -2.04 0.00 0.00 64.34 57.99 2k8m n VAL 66 Cb 0.50 -1.25 -0.09 0.00 -1.47 0.00 0.00 33.84 31.53 2k8m n VAL 66 CO 0.00 0.00 0.00 0.15 -2.14 0.00 0.00 176.83 174.84 2k8m h PHE 67 N 2.89 0.00 -5.58 6.34 3.57 -1.90 -3.49 116.94 118.77 2k8m h PHE 67 Ca 0.50 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.71 2k8m h PHE 67 Cb 0.24 0.00 0.18 0.00 2.79 0.00 0.00 35.95 39.16 2k8m h PHE 67 CO 1.09 0.71 -0.84 -1.71 -2.23 0.00 0.00 178.31 175.33 2k8m n ASN 68 N -3.00 -5.04 -3.72 0.41 5.15 -1.23 -5.00 115.26 102.83 2k8m n ASN 68 Ca -0.10 -0.71 -0.30 0.00 -0.60 0.00 0.00 54.58 52.87 2k8m n ASN 68 Cb 0.89 -5.02 0.24 0.00 -0.53 0.00 0.00 39.78 35.36 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k8m s GLU 69 N -4.83 -1.14 -0.03 1.20 8.01 -1.25 -4.86 118.70 115.79 2k8m s GLU 69 Ca 0.31 -0.24 -0.05 0.00 0.01 0.00 0.00 54.97 55.00 2k8m s GLU 69 Cb -0.05 -1.62 0.01 0.00 -4.31 0.00 0.00 34.13 28.16 2k8m s GLU 69 CO 0.75 -3.63 0.12 -1.14 0.01 0.00 0.00 175.26 171.38 2k8m s GLN 70 N -5.58 0.25 -0.07 1.61 -0.44 -1.26 -3.47 119.66 110.70 2k8m s GLN 70 Ca 0.73 -0.02 0.01 0.00 -2.50 0.00 0.00 55.36 53.58 2k8m s GLN 70 Cb -0.07 0.11 0.02 0.00 -1.64 0.00 0.00 33.01 31.43 2k8m s GLN 70 CO 0.55 -0.05 -0.09 0.12 0.50 0.00 0.00 175.29 176.33 2k8m s PHE 71 N -0.41 1.27 -0.74 1.67 5.36 -1.05 -5.01 117.98 119.07 2k8m s PHE 71 Ca -0.05 -0.49 -0.23 0.00 -0.96 0.00 0.00 56.93 55.21 2k8m s PHE 71 Cb -0.03 -1.00 0.07 0.00 -0.34 0.00 0.00 43.02 41.72 2k8m s PHE 71 CO 0.00 -0.30 1.09 0.99 -1.46 0.00 0.00 175.22 175.54 2k8m s THR 72 N 0.96 4.21 -1.35 0.12 2.01 -1.26 -2.21 115.64 118.13 2k8m s THR 72 Ca -0.09 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.36 2k8m s THR 72 Cb -0.15 -4.78 0.07 0.00 0.01 0.00 0.00 72.50 67.65 2k8m s THR 72 CO 0.00 -1.59 1.88 0.33 -0.69 0.00 0.00 174.62 174.56 2k8m n PHE 73 N 8.01 4.27 -1.99 4.92 -0.00 -0.97 -4.92 117.46 126.77 2k8m n PHE 73 Ca 0.04 -2.91 -0.30 0.00 -0.00 0.00 0.00 57.45 54.28 2k8m n PHE 73 Cb 0.47 -2.56 -0.04 0.00 -0.00 0.00 0.00 39.48 37.34 2k8m n PHE 73 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 2k8m s LYS 74 N 3.62 2.49 -0.28 -4.13 1.02 -1.26 -1.24 119.74 119.95 2k8m s LYS 74 Ca 0.51 0.13 -0.15 0.00 0.02 0.00 0.00 55.97 56.47 2k8m s LYS 74 Cb 0.07 -4.80 0.09 0.00 -0.52 0.00 0.00 37.83 32.66 2k8m s LYS 74 CO 0.02 -3.25 0.68 0.08 -0.92 0.00 0.00 175.35 171.97 2k8m s VAL 75 N 10.20 -0.10 0.50 3.17 1.01 -0.84 -4.97 120.40 129.37 2k8m s VAL 75 Ca 0.72 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 2k8m s VAL 75 Cb -0.09 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.22 2k8m s VAL 75 CO 0.08 0.00 1.37 -2.84 0.00 0.00 0.00 175.10 173.71 2k8m s PRO 76 N 1.77 3.40 0.56 2.72 0.02 -1.25 -3.91 135.00 138.31 2k8m s PRO 76 Ca -0.10 2.26 0.38 0.00 0.02 0.00 0.00 61.00 63.57 2k8m s PRO 76 Cb -0.06 -2.42 2.01 0.00 0.02 0.00 0.00 34.50 34.05 2k8m s PRO 76 CO -0.20 -0.99 2.15 0.10 -0.33 0.00 0.00 177.00 177.73 2k8m h TYR 77 N 1.85 0.00 0.00 6.54 -0.00 -1.95 0.10 116.97 123.51 2k8m h TYR 77 Ca -0.51 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.17 2k8m h TYR 77 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.00 2k8m h TYR 77 CO 0.48 0.00 -0.26 0.77 -0.00 0.00 0.00 178.16 179.15 2k8m h SER 78 N 0.00 0.00 -0.02 0.10 0.02 -2.01 -2.85 113.55 108.79 2k8m h SER 78 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k8m h SER 78 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2k8m h SER 78 CO 0.00 0.26 -0.26 -0.62 -1.14 0.00 0.00 176.83 175.06 2k8m n GLU 79 N -3.34 1.62 0.22 3.45 1.02 0.31 -4.33 120.64 119.59 2k8m n GLU 79 Ca 0.01 -1.27 0.05 0.00 -0.02 0.00 0.00 57.16 55.93 2k8m n GLU 79 Cb 0.49 -1.41 0.49 0.00 -0.02 0.00 0.00 31.44 30.98 2k8m n GLU 79 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k8m h LEU 80 N 3.01 0.00 -2.12 -4.62 6.46 -1.19 -2.20 115.31 114.66 2k8m h LEU 80 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2k8m h LEU 80 Cb 0.77 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2k8m h LEU 80 CO 0.00 0.22 0.00 1.23 -0.62 0.00 0.00 178.44 179.27 2k8m h GLY 81 N 0.72 0.00 -1.93 3.75 0.00 -1.75 -2.59 103.07 101.27 2k8m h GLY 81 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2k8m h GLY 81 CO 0.03 0.00 -0.69 0.61 0.00 0.00 0.00 176.54 176.49 2k8m n GLY 82 N -0.51 4.09 2.81 4.60 0.00 -0.85 -4.47 105.19 110.86 2k8m n GLY 82 Ca -0.01 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 2k8m n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8m s LYS 83 N -2.47 0.97 -0.31 1.61 2.47 -0.97 -4.98 119.74 116.06 2k8m s LYS 83 Ca 0.38 -0.98 -0.14 0.00 -1.56 0.00 0.00 55.97 53.67 2k8m s LYS 83 Cb 0.38 -2.26 -0.03 0.00 -1.46 0.00 0.00 37.83 34.46 2k8m s LYS 83 CO -0.08 -0.82 0.31 0.99 0.16 0.00 0.00 175.35 175.91 2k8m s THR 84 N 1.56 5.22 0.06 3.43 2.01 -1.26 -3.96 115.64 122.70 2k8m s THR 84 Ca 0.04 0.18 -0.16 0.00 0.31 0.00 0.00 61.69 62.06 2k8m s THR 84 Cb -0.18 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 2k8m s THR 84 CO -0.15 0.07 0.49 -1.48 -0.69 0.00 0.00 174.62 172.86 2k8m s LEU 85 N 1.93 4.46 0.04 4.42 0.05 -1.25 -3.49 118.68 124.85 2k8m s LEU 85 Ca 0.11 1.08 0.05 0.00 0.05 0.00 0.00 54.13 55.42 2k8m s LEU 85 Cb -0.16 -2.84 -0.02 0.00 -2.05 0.00 0.00 46.19 41.11 2k8m s LEU 85 CO 0.11 0.26 -0.14 0.68 -0.55 0.00 0.00 176.35 176.70 2k8m s VAL 86 N -1.18 1.14 -0.09 1.48 -7.23 -0.75 -2.91 120.40 110.86 2k8m s VAL 86 Ca 0.29 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.40 2k8m s VAL 86 Cb -0.17 -1.04 0.03 0.00 0.56 0.00 0.00 36.38 35.76 2k8m s VAL 86 CO 0.17 -0.01 -0.02 -0.32 -0.31 0.00 0.00 175.10 174.61 2k8m s MET 87 N -1.21 0.85 0.05 4.82 0.00 0.16 -0.97 119.30 122.99 2k8m s MET 87 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 55.69 55.72 2k8m s MET 87 Cb -0.08 -1.23 -0.04 0.00 0.00 0.00 0.00 34.83 33.48 2k8m s MET 87 CO 0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 175.02 174.64 2k8m s ALA 88 N 1.89 3.04 -0.31 4.11 0.00 -0.85 -1.39 121.76 128.26 2k8m s ALA 88 Ca 0.04 -1.10 -0.11 0.00 0.00 0.00 0.00 51.96 50.80 2k8m s ALA 88 Cb -0.13 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 2k8m s ALA 88 CO -0.06 0.64 0.18 0.54 0.00 0.00 0.00 175.76 177.05 2k8m s VAL 89 N -1.11 4.84 -0.08 0.00 0.11 -0.60 -0.28 120.40 123.28 2k8m s VAL 89 Ca 0.20 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 2k8m s VAL 89 Cb -0.11 -3.45 -0.04 0.00 -1.53 0.00 0.00 36.38 31.25 2k8m s VAL 89 CO 0.11 0.08 0.05 -0.47 -3.33 0.00 0.00 175.10 171.53 2k8m s TYR 90 N 1.66 3.29 0.41 1.54 5.04 0.20 -3.58 117.35 125.91 2k8m s TYR 90 Ca 0.05 0.28 -0.01 0.00 -2.44 0.00 0.00 57.07 54.95 2k8m s TYR 90 Cb -0.17 -1.82 -0.03 0.00 0.35 0.00 0.00 41.96 40.29 2k8m s TYR 90 CO 0.08 0.55 0.65 0.34 -1.34 0.00 0.00 175.55 175.83 2k8m s ASP 91 N -1.03 6.17 -0.37 4.32 2.15 -1.26 0.04 116.67 126.69 2k8m s ASP 91 Ca 0.15 0.55 0.13 0.00 0.43 0.00 0.00 52.55 53.81 2k8m s ASP 91 Cb -0.12 -1.98 0.38 0.00 -0.30 0.00 0.00 42.92 40.91 2k8m s ASP 91 CO 0.04 -0.48 0.86 0.33 -0.17 0.00 0.00 175.17 175.75 2k8m n PHE 92 N -2.00 0.02 0.25 -5.34 7.35 0.29 -4.81 117.46 113.21 2k8m n PHE 92 Ca -0.02 -3.28 0.14 0.00 -0.76 0.00 0.00 57.45 53.52 2k8m n PHE 92 Cb 0.56 -0.11 0.73 0.00 0.35 0.00 0.00 39.48 41.01 2k8m n PHE 92 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2k8m h ASP 93 N 2.95 0.00 -1.66 -2.13 2.03 -1.88 -3.44 116.42 112.29 2k8m h ASP 93 Ca 0.01 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.03 2k8m h ASP 93 Cb 1.06 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.52 2k8m h ASP 93 CO 0.44 0.00 -0.33 0.54 -1.03 0.00 0.00 179.24 178.86 2k8m n ARG 94 N -2.55 -1.06 0.04 4.15 1.74 -1.26 -4.77 116.66 112.95 2k8m n ARG 94 Ca -0.02 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.79 2k8m n ARG 94 Cb 0.20 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 2k8m n ARG 94 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2k8m n PHE 95 N -3.70 -1.61 -2.02 -1.55 7.35 -1.26 -5.14 117.46 109.52 2k8m n PHE 95 Ca -0.16 0.19 -0.28 0.00 -0.76 0.00 0.00 57.45 56.44 2k8m n PHE 95 Cb 0.58 0.82 0.10 0.00 0.35 0.00 0.00 39.48 41.34 2k8m n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k8m s SER 96 N -2.78 4.32 -1.26 -2.13 0.01 -1.26 -4.94 113.70 105.66 2k8m s SER 96 Ca 0.00 0.54 -0.18 0.00 1.31 0.00 0.00 55.95 57.62 2k8m s SER 96 Cb 0.00 -0.98 0.08 0.00 0.21 0.00 0.00 66.02 65.32 2k8m s SER 96 CO 0.00 -1.98 1.68 -0.54 0.41 0.00 0.00 173.24 172.81 2k8m s LYS 97 N -5.53 3.96 -0.04 12.44 -0.14 -1.26 -4.84 119.74 124.34 2k8m s LYS 97 Ca 0.64 -1.98 -0.39 0.00 -1.36 0.00 0.00 55.97 52.88 2k8m s LYS 97 Cb -0.09 -5.47 -0.18 0.00 -1.68 0.00 0.00 37.83 30.41 2k8m s LYS 97 CO 0.48 -2.20 1.33 -2.39 -0.76 0.00 0.00 175.35 171.82 2k8m n HIS 98 N 8.15 1.33 -3.95 3.18 -0.00 -1.26 -4.96 115.22 117.70 2k8m n HIS 98 Ca 0.46 0.80 -0.27 0.00 -0.00 0.00 0.00 57.72 58.72 2k8m n HIS 98 Cb 0.46 -2.26 -0.03 0.00 -0.00 0.00 0.00 29.99 28.16 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2k8m s ASP 99 N 0.97 6.31 -0.71 4.39 2.15 -1.26 -4.84 116.67 123.68 2k8m s ASP 99 Ca 0.90 0.17 -0.26 0.00 0.43 0.00 0.00 52.55 53.79 2k8m s ASP 99 Cb -1.12 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 39.60 2k8m s ASP 99 CO 0.56 0.06 1.62 -0.63 -0.17 0.00 0.00 175.17 176.61 2k8m s ILE 100 N -1.72 3.53 0.51 4.11 1.01 -1.26 -4.28 121.20 123.11 2k8m s ILE 100 Ca 0.34 0.18 0.23 0.00 0.00 0.00 0.00 60.65 61.40 2k8m s ILE 100 Cb -0.11 -4.38 0.38 0.00 0.01 0.00 0.00 42.46 38.35 2k8m s ILE 100 CO 0.28 -1.34 2.00 0.16 0.00 0.00 0.00 174.94 176.05 2k8m h ILE 101 N 6.59 0.77 0.00 2.92 3.07 -1.88 -3.41 117.51 125.57 2k8m h ILE 101 Ca -0.21 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.18 2k8m h ILE 101 Cb 1.10 0.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 2k8m h ILE 101 CO 1.25 0.01 0.00 0.61 -1.05 0.00 0.00 178.15 178.98 2k8m n GLY 102 N -1.62 -0.60 3.27 0.16 0.00 -1.26 -3.94 105.19 101.20 2k8m n GLY 102 Ca 0.09 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 2k8m n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k8m n GLU 103 N -0.06 0.80 -3.47 1.61 0.28 -0.03 -1.56 120.64 118.21 2k8m n GLU 103 Ca 0.00 -1.65 -0.14 0.00 -0.16 0.00 0.00 57.16 55.21 2k8m n GLU 103 Cb 0.00 2.12 -0.04 0.00 1.43 0.00 0.00 31.44 34.95 2k8m n GLU 103 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2k8m s PHE 104 N -2.93 -0.55 0.10 -1.84 -0.71 -0.48 -3.02 117.98 108.56 2k8m s PHE 104 Ca 0.16 0.55 -0.15 0.00 -1.04 0.00 0.00 56.93 56.45 2k8m s PHE 104 Cb -0.03 0.48 0.03 0.00 -1.21 0.00 0.00 43.02 42.29 2k8m s PHE 104 CO 0.08 -0.76 0.35 -1.59 -1.34 0.00 0.00 175.22 171.97 2k8m s LYS 105 N -2.91 0.99 -0.14 1.99 0.00 -1.26 -0.67 119.74 117.75 2k8m s LYS 105 Ca -0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 55.97 55.16 2k8m s LYS 105 Cb -0.01 0.43 0.05 0.00 0.00 0.00 0.00 37.83 38.31 2k8m s LYS 105 CO -0.05 -0.37 0.33 0.54 0.00 0.00 0.00 175.35 175.79 2k8m s VAL 106 N -3.61 -0.03 -0.35 1.79 0.11 -1.15 -5.04 120.40 112.12 2k8m s VAL 106 Ca 0.02 0.12 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 2k8m s VAL 106 Cb 0.02 -0.49 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 2k8m s VAL 106 CO -0.10 0.05 1.77 -2.16 -3.33 0.00 0.00 175.10 171.33 2k8m s PRO 107 N 1.33 3.31 0.31 1.54 0.04 -1.26 -3.84 135.00 136.43 2k8m s PRO 107 Ca -0.09 1.34 0.24 0.00 0.04 0.00 0.00 61.00 62.52 2k8m s PRO 107 Cb -0.09 -4.20 1.12 0.00 0.04 0.00 0.00 34.50 31.36 2k8m s PRO 107 CO -0.11 -1.89 1.71 0.52 0.04 0.00 0.00 177.00 177.28 2k8m h MET 108 N 12.85 0.00 0.00 4.56 2.86 -1.80 -1.25 114.93 132.15 2k8m h MET 108 Ca -0.33 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 2k8m h MET 108 Cb 1.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 2k8m h MET 108 CO 1.05 0.00 -0.17 -0.97 1.06 0.00 0.00 176.91 177.87 2k8m h ASN 109 N 0.00 0.00 0.37 1.22 -1.24 -1.78 -3.06 115.58 111.09 2k8m h ASN 109 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 2k8m h ASN 109 Cb 0.20 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.21 2k8m h ASN 109 CO 0.00 0.17 -1.79 0.41 -1.29 0.00 0.00 177.43 174.93 2k8m n THR 110 N -3.30 1.68 -2.68 -3.57 -1.04 -0.48 -4.79 114.28 100.09 2k8m n THR 110 Ca 0.01 -0.75 -0.43 0.00 -2.04 0.00 0.00 64.05 60.84 2k8m n THR 110 Cb 0.42 -1.29 -0.03 0.00 -1.82 0.00 0.00 70.33 67.61 2k8m n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k8m s VAL 111 N -2.59 4.21 0.33 12.58 1.01 -1.15 -5.01 120.40 129.77 2k8m s VAL 111 Ca -0.11 0.79 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 2k8m s VAL 111 Cb 0.07 -4.62 -0.09 0.00 0.00 0.00 0.00 36.38 31.74 2k8m s VAL 111 CO 0.81 -1.15 1.09 1.51 0.00 0.00 0.00 175.10 177.36 2k8m s ASP 112 N 2.73 7.05 -1.39 3.32 -4.77 -1.26 -4.90 116.67 117.46 2k8m s ASP 112 Ca 0.40 2.22 -0.10 0.00 -3.30 0.00 0.00 52.55 51.77 2k8m s ASP 112 Cb -0.09 -2.61 0.09 0.00 -1.09 0.00 0.00 42.92 39.22 2k8m s ASP 112 CO 0.25 -0.30 2.20 2.22 0.70 0.00 0.00 175.17 180.24 2k8m n PHE 113 N 0.72 3.00 0.19 2.11 1.16 -1.26 -4.71 117.46 118.68 2k8m n PHE 113 Ca 0.01 -2.89 -0.14 0.00 -1.87 0.00 0.00 57.45 52.57 2k8m n PHE 113 Cb 0.46 -2.19 -0.08 0.00 -1.61 0.00 0.00 39.48 36.07 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2k8m h GLY 114 N 8.08 -0.52 0.00 4.97 0.00 -1.99 -3.48 103.07 110.12 2k8m h GLY 114 Ca 0.55 0.19 0.00 0.00 0.00 0.00 0.00 47.33 48.08 2k8m h GLY 114 CO 1.71 -0.19 0.00 1.42 0.00 0.00 0.00 176.54 179.48 2k8m n HIS 115 N -5.19 -1.03 -3.86 5.60 8.25 -1.26 -5.12 115.22 112.60 2k8m n HIS 115 Ca -0.10 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.15 2k8m n HIS 115 Cb 0.28 0.21 -0.17 0.00 1.12 0.00 0.00 29.99 31.42 2k8m n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k8m s VAL 116 N -0.50 0.34 -0.80 1.59 -7.23 -1.26 -4.13 120.40 108.41 2k8m s VAL 116 Ca 0.00 0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 60.08 2k8m s VAL 116 Cb 0.00 -0.47 0.14 0.00 0.56 0.00 0.00 36.38 36.61 2k8m s VAL 116 CO 0.00 0.23 0.93 -0.89 -0.31 0.00 0.00 175.10 175.06 2k8m s THR 117 N 1.64 4.91 -0.26 5.32 2.01 0.16 -4.94 115.64 124.49 2k8m s THR 117 Ca -0.00 -1.52 -0.08 0.00 0.31 0.00 0.00 61.69 60.40 2k8m s THR 117 Cb -0.13 -4.63 -0.04 0.00 0.01 0.00 0.00 72.50 67.72 2k8m s THR 117 CO -0.04 -1.30 0.11 -1.61 -0.69 0.00 0.00 174.62 171.09 2k8m s GLU 118 N 2.26 3.75 0.24 4.92 2.02 -1.26 -0.84 118.70 129.79 2k8m s GLU 118 Ca 0.23 -0.43 -0.19 0.00 0.02 0.00 0.00 54.97 54.60 2k8m s GLU 118 Cb -0.12 -3.43 0.02 0.00 0.10 0.00 0.00 34.13 30.71 2k8m s GLU 118 CO -0.04 -0.18 0.62 -1.83 0.02 0.00 0.00 175.26 173.85 2k8m s GLU 119 N 1.65 1.59 -0.56 1.61 -1.05 -1.06 -5.04 118.70 115.85 2k8m s GLU 119 Ca 0.07 -0.93 -0.07 0.00 -0.15 0.00 0.00 54.97 53.89 2k8m s GLU 119 Cb -0.15 0.57 0.14 0.00 -0.44 0.00 0.00 34.13 34.25 2k8m s GLU 119 CO 0.06 -0.70 0.41 -1.58 0.95 0.00 0.00 175.26 174.39 2k8m s TRP 120 N -3.90 3.49 0.19 4.83 0.52 -1.26 -2.90 118.94 119.92 2k8m s TRP 120 Ca 0.11 -2.26 -0.30 0.00 0.02 0.00 0.00 56.10 53.67 2k8m s TRP 120 Cb -0.03 -3.39 -0.08 0.00 -1.15 0.00 0.00 33.47 28.81 2k8m s TRP 120 CO 0.02 -0.94 1.10 0.50 0.02 0.00 0.00 176.95 177.65 2k8m s ARG 121 N 0.70 4.60 0.05 4.98 6.06 -0.54 -4.84 118.95 129.97 2k8m s ARG 121 Ca 0.11 1.73 -0.28 0.00 -2.50 0.00 0.00 55.73 54.79 2k8m s ARG 121 Cb -0.22 -3.26 -0.05 0.00 0.06 0.00 0.00 34.95 31.48 2k8m s ARG 121 CO -0.03 0.10 0.90 0.16 -2.50 0.00 0.00 175.30 173.92 2k8m s ASP 122 N -0.24 7.36 0.05 -2.12 -4.77 -1.26 -0.09 116.67 115.59 2k8m s ASP 122 Ca 0.49 1.63 -0.09 0.00 -3.30 0.00 0.00 52.55 51.27 2k8m s ASP 122 Cb -0.30 -2.54 -0.05 0.00 -1.09 0.00 0.00 42.92 38.94 2k8m s ASP 122 CO 0.36 -0.10 0.36 -0.76 0.70 0.00 0.00 175.17 175.72 2k8m s LEU 123 N 0.31 4.36 0.06 2.11 1.43 0.45 -4.89 118.68 122.50 2k8m s LEU 123 Ca 0.45 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2k8m s LEU 123 Cb -0.22 -2.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 2k8m s LEU 123 CO 0.27 0.21 -0.12 0.00 0.23 0.00 0.00 176.35 176.93 2k8m s GLN 124 N -1.82 0.76 -0.19 1.70 -2.07 -1.17 -2.39 119.66 114.48 2k8m s GLN 124 Ca 0.31 -0.84 -0.27 0.00 -1.82 0.00 0.00 55.36 52.73 2k8m s GLN 124 Cb -0.14 -0.71 -0.00 0.00 -1.09 0.00 0.00 33.01 31.07 2k8m s GLN 124 CO 0.17 0.16 0.94 -1.12 -1.32 0.00 0.00 175.29 174.12 2k8m s SER 125 N -1.52 7.04 -0.28 12.60 0.01 -1.25 -0.85 113.70 129.44 2k8m s SER 125 Ca -0.03 1.29 -0.00 0.00 1.31 0.00 0.00 55.95 58.52 2k8m s SER 125 Cb -0.09 -2.50 0.08 0.00 0.21 0.00 0.00 66.02 63.72 2k8m s SER 125 CO 0.02 -0.53 0.05 0.00 0.41 0.00 0.00 173.24 173.19 2k8m s ALA 126 N 2.62 1.76 -0.03 1.44 0.00 -1.25 -4.82 121.76 121.47 2k8m s ALA 126 Ca 0.42 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.49 2k8m s ALA 126 Cb -0.16 -1.57 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 2k8m s ALA 126 CO 0.10 -1.49 1.55 -1.21 0.00 0.00 0.00 175.76 174.72 2k8m s GLU 127 N 1.49 4.21 0.00 0.00 2.02 -1.26 -4.62 118.70 120.54 2k8m s GLU 127 Ca 0.05 2.10 0.10 0.00 0.02 0.00 0.00 54.97 57.23 2k8m s GLU 127 Cb -0.18 -3.80 0.08 0.00 0.10 0.00 0.00 34.13 30.33 2k8m s GLU 127 CO -0.16 -0.75 0.80 1.63 0.02 0.00 0.00 175.26 176.81