#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 3.79 0.00 3.49 -2.85 -1.26 -3.91 119.74 119.00 2k8m s LYS 2 Ca 0.00 -0.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2k8m s LYS 2 Cb 0.00 -3.36 0.00 0.00 -2.06 0.00 0.00 37.83 32.41 2k8m s LYS 2 CO 0.00 -0.07 0.70 -0.11 0.10 0.00 0.00 175.35 175.97 2k8m n LEU 3 N 4.60 0.00 0.00 2.77 7.94 -1.16 -4.50 117.00 126.66 2k8m n LEU 3 Ca -0.16 -0.52 0.00 0.00 -1.11 0.00 0.00 56.01 54.22 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 0.32 0.18 0.00 0.61 -1.11 0.00 0.00 177.39 177.40 2k8m n GLY 4 N 0.00 -0.70 3.09 -3.96 0.00 -1.22 -4.43 105.19 97.97 2k8m n GLY 4 Ca 0.00 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.67 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 0.63 -0.14 1.61 1.02 -1.05 -0.62 119.74 121.19 2k8m s LYS 5 Ca 0.00 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.23 2k8m s LYS 5 Cb 0.00 -0.49 0.01 0.00 -0.52 0.00 0.00 37.83 36.83 2k8m s LYS 5 CO 0.00 0.10 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.15 2k8m s LEU 6 N -1.51 2.09 -0.19 3.17 2.96 0.24 -1.39 118.68 124.06 2k8m s LEU 6 Ca -0.06 -0.60 -0.19 0.00 -0.22 0.00 0.00 54.13 53.05 2k8m s LEU 6 Cb -0.09 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 2k8m s LEU 6 CO 0.01 0.07 0.56 -1.10 -1.32 0.00 0.00 176.35 174.57 2k8m s GLN 7 N 0.86 4.22 0.20 1.98 -1.52 -0.58 -2.03 119.66 122.79 2k8m s GLN 7 Ca -0.06 0.51 -0.08 0.00 -1.95 0.00 0.00 55.36 53.78 2k8m s GLN 7 Cb -0.15 -3.55 -0.02 0.00 -0.22 0.00 0.00 33.01 29.07 2k8m s GLN 7 CO -0.03 -0.15 0.30 1.52 -0.25 0.00 0.00 175.29 176.68 2k8m s TYR 8 N 1.63 0.63 -0.05 0.91 1.13 -1.03 0.06 117.35 120.64 2k8m s TYR 8 Ca 0.26 -0.95 -0.00 0.00 -1.41 0.00 0.00 57.07 54.97 2k8m s TYR 8 Cb -0.16 -0.13 0.03 0.00 -1.10 0.00 0.00 41.96 40.60 2k8m s TYR 8 CO 0.10 -0.79 -0.01 -1.54 -2.51 0.00 0.00 175.55 170.80 2k8m s SER 9 N -3.05 0.97 -0.25 -0.18 1.04 0.55 -2.51 113.70 110.26 2k8m s SER 9 Ca 0.26 -0.07 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 2k8m s SER 9 Cb 0.03 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2k8m s SER 9 CO 0.07 -0.12 0.00 -0.76 0.98 0.00 0.00 173.24 173.41 2k8m s LEU 10 N 1.34 3.29 0.43 2.42 1.43 -0.01 -1.83 118.68 125.74 2k8m s LEU 10 Ca -0.05 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 2k8m s LEU 10 Cb -0.13 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2k8m s LEU 10 CO -0.02 -0.09 0.19 -0.62 0.23 0.00 0.00 176.35 176.04 2k8m s ASP 11 N 1.47 4.45 0.01 2.29 -1.08 -0.66 -0.71 116.67 122.44 2k8m s ASP 11 Ca 0.04 -1.10 0.03 0.00 -0.52 0.00 0.00 52.55 50.99 2k8m s ASP 11 Cb -0.16 -0.38 -0.01 0.00 -1.46 0.00 0.00 42.92 40.91 2k8m s ASP 11 CO -0.01 -0.60 -0.08 -0.72 0.52 0.00 0.00 175.17 174.28 2k8m s TYR 12 N -2.62 0.72 -0.04 -5.34 1.13 -1.26 -0.09 117.35 109.85 2k8m s TYR 12 Ca 0.39 -0.25 0.02 0.00 -1.41 0.00 0.00 57.07 55.82 2k8m s TYR 12 Cb 0.03 -0.44 0.01 0.00 -1.10 0.00 0.00 41.96 40.46 2k8m s TYR 12 CO 0.22 -0.02 -0.10 0.34 -2.51 0.00 0.00 175.55 173.48 2k8m s ASP 13 N -0.69 1.39 0.00 -0.18 -1.08 -0.49 -4.91 116.67 110.71 2k8m s ASP 13 Ca -0.01 -0.22 0.13 0.00 -0.52 0.00 0.00 52.55 51.93 2k8m s ASP 13 Cb -0.05 -0.49 0.04 0.00 -1.46 0.00 0.00 42.92 40.95 2k8m s ASP 13 CO 0.00 0.05 0.80 2.22 0.52 0.00 0.00 175.17 178.76 2k8m n PHE 14 N 3.53 0.00 0.09 -5.34 -1.74 -1.26 -1.57 117.46 111.16 2k8m n PHE 14 Ca -0.21 0.00 -0.07 0.00 -0.56 0.00 0.00 57.45 56.61 2k8m n PHE 14 Cb 0.53 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.56 2k8m n PHE 14 CO 0.00 0.00 0.00 -0.56 -0.56 0.00 0.00 176.76 175.64 2k8m h GLN 15 N 1.86 0.17 0.00 3.97 3.07 -1.95 -3.31 115.11 118.92 2k8m h GLN 15 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 58.65 58.57 2k8m h GLN 15 Cb 0.48 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2k8m h GLN 15 CO 0.00 0.88 0.00 0.27 0.09 0.00 0.00 178.83 180.07 2k8m n ASN 16 N -3.69 0.57 -2.88 0.06 0.23 -1.26 -5.07 115.26 103.21 2k8m n ASN 16 Ca -0.03 -0.83 -0.10 0.00 -0.53 0.00 0.00 54.58 53.09 2k8m n ASN 16 Cb 0.76 0.21 0.01 0.00 -2.08 0.00 0.00 39.78 38.68 2k8m n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k8m n ASN 17 N -0.21 -7.84 -3.52 0.53 2.85 -1.13 -4.94 115.26 101.00 2k8m n ASN 17 Ca 0.00 0.51 -0.13 0.00 -0.11 0.00 0.00 54.58 54.86 2k8m n ASN 17 Cb 0.04 -5.21 -0.04 0.00 1.24 0.00 0.00 39.78 35.81 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8m s GLN 18 N -2.59 0.90 -0.00 1.20 1.03 -0.61 -3.63 119.66 115.96 2k8m s GLN 18 Ca 0.25 -0.02 -0.16 0.00 0.04 0.00 0.00 55.36 55.48 2k8m s GLN 18 Cb -0.07 0.42 -0.06 0.00 0.03 0.00 0.00 33.01 33.34 2k8m s GLN 18 CO 0.78 -0.33 0.44 -0.51 -2.54 0.00 0.00 175.29 173.12 2k8m s LEU 19 N -1.72 4.46 -0.86 2.60 1.43 -1.01 -1.39 118.68 122.19 2k8m s LEU 19 Ca -0.03 0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 53.88 2k8m s LEU 19 Cb -0.01 -2.64 0.13 0.00 0.03 0.00 0.00 46.19 43.70 2k8m s LEU 19 CO -0.01 0.29 1.05 -0.22 0.23 0.00 0.00 176.35 177.69 2k8m s LEU 20 N -0.92 5.09 -0.73 1.79 1.98 0.88 -1.78 118.68 124.99 2k8m s LEU 20 Ca 0.25 -1.89 -0.22 0.00 -2.89 0.00 0.00 54.13 49.37 2k8m s LEU 20 Cb -0.17 -2.38 0.08 0.00 0.66 0.00 0.00 46.19 44.38 2k8m s LEU 20 CO 0.14 -1.09 1.03 -0.69 -1.89 0.00 0.00 176.35 173.85 2k8m s VAL 21 N 2.73 4.35 -0.29 1.68 1.01 -0.56 -1.65 120.40 127.67 2k8m s VAL 21 Ca 0.29 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2k8m s VAL 21 Cb -0.08 -4.73 0.07 0.00 0.00 0.00 0.00 36.38 31.64 2k8m s VAL 21 CO -0.06 -1.51 -0.04 -0.83 0.00 0.00 0.00 175.10 172.66 2k8m s GLY 22 N 3.74 1.74 0.09 4.51 0.00 -0.76 -0.53 107.32 116.11 2k8m s GLY 22 Ca 0.26 -1.93 -0.12 0.00 0.00 0.00 0.00 44.72 42.93 2k8m s GLY 22 CO 0.06 0.70 0.45 -0.26 0.00 0.00 0.00 173.10 174.06 2k8m s ILE 23 N 1.11 5.00 -0.14 0.90 -0.00 -1.18 -0.33 121.20 126.55 2k8m s ILE 23 Ca -0.04 0.64 -0.10 0.00 -0.00 0.00 0.00 60.65 61.16 2k8m s ILE 23 Cb -0.20 -3.69 -0.04 0.00 -0.00 0.00 0.00 42.46 38.53 2k8m s ILE 23 CO -0.04 0.32 -0.16 -0.38 -0.00 0.00 0.00 174.94 174.67 2k8m n ILE 24 N 1.00 1.42 -3.68 8.37 5.41 0.11 -3.72 119.36 128.27 2k8m n ILE 24 Ca -0.08 0.21 -0.06 0.00 1.00 0.00 0.00 62.75 63.82 2k8m n ILE 24 Cb 0.52 -2.38 -0.02 0.00 -0.71 0.00 0.00 39.64 37.06 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 -2.25 1.22 -0.08 0.38 1.03 -1.17 -3.55 119.66 115.25 2k8m s GLN 25 Ca -0.15 -0.62 0.03 0.00 0.04 0.00 0.00 55.36 54.66 2k8m s GLN 25 Cb 0.02 0.46 0.01 0.00 0.03 0.00 0.00 33.01 33.52 2k8m s GLN 25 CO 0.24 -0.55 -0.17 0.00 -2.54 0.00 0.00 175.29 172.26 2k8m s ALA 26 N -3.41 1.63 0.16 2.60 0.00 -1.24 -1.52 121.76 119.98 2k8m s ALA 26 Ca 0.09 -0.65 0.10 0.00 0.00 0.00 0.00 51.96 51.50 2k8m s ALA 26 Cb -0.02 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2k8m s ALA 26 CO -0.01 0.20 -0.19 0.00 0.00 0.00 0.00 175.76 175.76 2k8m s ALA 27 N 0.47 2.65 -0.97 0.00 0.00 -0.49 -3.71 121.76 119.71 2k8m s ALA 27 Ca -0.15 -1.50 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 2k8m s ALA 27 Cb -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2k8m s ALA 27 CO 0.05 0.50 0.82 0.39 0.00 0.00 0.00 175.76 177.53 2k8m n GLU 28 N 0.45 -5.48 -2.94 0.00 1.02 -1.23 -2.52 120.64 109.94 2k8m n GLU 28 Ca -0.14 0.66 -0.40 0.00 -0.02 0.00 0.00 57.16 57.26 2k8m n GLU 28 Cb 0.54 -5.14 -0.05 0.00 -0.02 0.00 0.00 31.44 26.77 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 -5.56 4.44 0.69 -4.62 1.43 -1.16 -3.46 118.68 110.44 2k8m s LEU 29 Ca 0.12 1.48 -0.17 0.00 -1.03 0.00 0.00 54.13 54.53 2k8m s LEU 29 Cb -0.05 -3.28 0.01 0.00 0.03 0.00 0.00 46.19 42.90 2k8m s LEU 29 CO 0.57 -0.03 1.26 -2.84 0.23 0.00 0.00 176.35 175.54 2k8m s PRO 30 N 0.12 2.33 -0.09 1.29 0.02 -1.26 -4.85 135.00 132.56 2k8m s PRO 30 Ca 0.40 1.95 -0.21 0.00 0.02 0.00 0.00 61.00 63.17 2k8m s PRO 30 Cb -0.21 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 2k8m s PRO 30 CO 0.24 -1.73 0.58 0.00 -0.33 0.00 0.00 177.00 175.76 2k8m s ALA 31 N -1.64 3.41 -0.05 -1.55 0.00 -1.26 -4.75 121.76 115.92 2k8m s ALA 31 Ca 0.79 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.70 2k8m s ALA 31 Cb -0.34 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2k8m s ALA 31 CO 0.42 -0.05 -0.06 -0.11 0.00 0.00 0.00 175.76 175.97 2k8m n LEU 32 N 3.71 0.33 -4.76 0.00 -0.00 -1.26 -5.00 117.00 110.02 2k8m n LEU 32 Ca -0.04 0.06 -0.37 0.00 -0.00 0.00 0.00 56.01 55.65 2k8m n LEU 32 Cb 0.51 -0.14 0.02 0.00 -0.00 0.00 0.00 43.42 43.81 2k8m n LEU 32 CO 0.45 0.10 0.88 -0.62 -0.00 0.00 0.00 177.39 178.20 2k8m s ASP 33 N -5.43 5.64 -1.22 1.96 2.15 -1.26 -4.88 116.67 113.64 2k8m s ASP 33 Ca -0.07 2.47 -0.21 0.00 0.43 0.00 0.00 52.55 55.18 2k8m s ASP 33 Cb 0.03 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 40.02 2k8m s ASP 33 CO 0.08 -1.29 1.84 -0.32 -0.17 0.00 0.00 175.17 175.31 2k8m s MET 34 N -2.93 3.14 0.00 4.34 -2.45 -1.26 -2.64 119.30 117.51 2k8m s MET 34 Ca 0.70 -1.48 0.00 0.00 -1.25 0.00 0.00 55.69 53.66 2k8m s MET 34 Cb -0.33 -5.36 0.00 0.00 1.25 0.00 0.00 34.83 30.39 2k8m s MET 34 CO 0.38 -3.21 0.00 0.41 1.05 0.00 0.00 175.02 173.66 2k8m n GLY 35 N 5.71 0.01 0.00 2.11 0.00 -1.26 -4.99 105.19 106.77 2k8m n GLY 35 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 1.98 3.20 -0.02 0.00 -1.08 -5.02 105.19 104.24 2k8m n GLY 36 Ca 0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2k8m n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8m s THR 37 N -1.54 3.98 1.13 2.61 -4.23 -1.26 -4.55 115.64 111.78 2k8m s THR 37 Ca 0.00 -1.80 -0.19 0.00 -1.18 0.00 0.00 61.69 58.53 2k8m s THR 37 Cb 0.00 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.49 2k8m s THR 37 CO 0.00 -0.71 1.23 -0.44 -0.54 0.00 0.00 174.62 174.16 2k8m s SER 38 N 2.39 1.62 -0.71 3.99 0.01 -1.26 -4.15 113.70 115.60 2k8m s SER 38 Ca 0.06 0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.70 2k8m s SER 38 Cb -0.25 -0.38 0.27 0.00 0.21 0.00 0.00 66.02 65.87 2k8m s SER 38 CO -0.01 -3.66 0.89 0.47 0.41 0.00 0.00 173.24 171.33 2k8m n ASP 39 N -4.40 4.27 -4.67 2.44 9.92 -1.26 -0.63 116.55 122.22 2k8m n ASP 39 Ca 0.16 -3.47 -0.40 0.00 -0.53 0.00 0.00 54.79 50.56 2k8m n ASP 39 Cb 0.60 -0.76 -0.06 0.00 -0.64 0.00 0.00 41.12 40.26 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 -2.63 4.25 -0.00 -0.24 0.05 -1.22 -0.11 135.00 135.10 2k8m s PRO 40 Ca 0.39 0.60 0.07 0.00 0.05 0.00 0.00 61.00 62.10 2k8m s PRO 40 Cb 0.14 -3.54 -0.02 0.00 0.05 0.00 0.00 34.50 31.13 2k8m s PRO 40 CO -0.00 -0.14 -0.21 1.52 0.05 0.00 0.00 177.00 178.22 2k8m s TYR 41 N 1.57 1.83 0.05 0.56 -0.85 0.92 -4.19 117.35 117.24 2k8m s TYR 41 Ca 0.29 -0.35 -0.17 0.00 -0.52 0.00 0.00 57.07 56.31 2k8m s TYR 41 Cb -0.16 -1.16 -0.06 0.00 0.38 0.00 0.00 41.96 40.96 2k8m s TYR 41 CO 0.11 -0.00 0.50 0.14 -1.52 0.00 0.00 175.55 174.78 2k8m s VAL 42 N -0.56 4.86 0.01 -3.49 -7.23 -1.26 -0.16 120.40 112.57 2k8m s VAL 42 Ca 0.08 1.04 0.03 0.00 -1.81 0.00 0.00 61.98 61.32 2k8m s VAL 42 Cb -0.08 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 2k8m s VAL 42 CO -0.00 0.55 -0.11 -1.59 -0.31 0.00 0.00 175.10 173.64 2k8m s LYS 43 N -1.15 0.82 0.05 4.82 -2.85 0.47 -2.05 119.74 119.85 2k8m s LYS 43 Ca 0.27 -0.47 -0.27 0.00 -1.00 0.00 0.00 55.97 54.50 2k8m s LYS 43 Cb -0.18 -0.78 -0.05 0.00 -2.06 0.00 0.00 37.83 34.75 2k8m s LYS 43 CO 0.17 0.21 0.85 0.14 0.10 0.00 0.00 175.35 176.82 2k8m s VAL 44 N -0.45 4.69 -0.01 1.79 -7.23 -0.89 -1.45 120.40 116.85 2k8m s VAL 44 Ca 0.02 1.82 0.06 0.00 -1.81 0.00 0.00 61.98 62.07 2k8m s VAL 44 Cb -0.05 -4.21 -0.02 0.00 0.56 0.00 0.00 36.38 32.67 2k8m s VAL 44 CO 0.00 0.32 -0.19 0.12 -0.31 0.00 0.00 175.10 175.03 2k8m s PHE 45 N 0.15 1.72 0.37 2.82 2.19 0.26 -4.39 117.98 121.10 2k8m s PHE 45 Ca 0.43 -0.33 0.07 0.00 0.33 0.00 0.00 56.93 57.44 2k8m s PHE 45 Cb -0.21 -1.11 -0.07 0.00 -1.31 0.00 0.00 43.02 40.32 2k8m s PHE 45 CO 0.26 -0.03 -0.02 -0.51 1.83 0.00 0.00 175.22 176.75 2k8m s LEU 46 N -0.48 2.72 0.00 6.12 2.01 -1.26 -0.98 118.68 126.80 2k8m s LEU 46 Ca 0.07 -1.30 0.00 0.00 0.01 0.00 0.00 54.13 52.92 2k8m s LEU 46 Cb -0.07 -0.85 0.00 0.00 0.01 0.00 0.00 46.19 45.28 2k8m s LEU 46 CO -0.01 -0.38 0.00 0.00 1.01 0.00 0.00 176.35 176.97 2k8m n LEU 47 N -0.84 0.00 0.24 1.79 -0.00 -1.24 -4.68 117.00 112.27 2k8m n LEU 47 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.00 2k8m n LEU 47 Cb 0.65 0.00 0.19 0.00 -0.00 0.00 0.00 43.42 44.26 2k8m n LEU 47 CO 0.46 -0.59 0.89 -0.65 -0.00 0.00 0.00 177.39 177.50 2k8m h PRO 48 N 0.00 0.00 -0.10 1.47 0.11 -2.00 -1.81 132.00 129.67 2k8m h PRO 48 Ca 0.00 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 2k8m h PRO 48 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2k8m h PRO 48 CO 0.00 0.00 -0.39 0.22 -0.21 0.00 0.00 178.00 177.62 2k8m h ASP 49 N 0.00 -1.21 -4.80 -2.05 3.58 -1.98 -3.45 116.42 106.51 2k8m h ASP 49 Ca 0.00 0.16 -0.22 0.00 0.42 0.00 0.00 57.03 57.39 2k8m h ASP 49 Cb 1.37 0.49 -0.05 0.00 1.72 0.00 0.00 39.33 42.86 2k8m h ASP 49 CO 0.00 -0.42 -0.31 0.29 -2.88 0.00 0.00 179.24 175.92 2k8m n LYS 50 N -5.43 -2.68 -1.19 0.28 4.76 -0.68 -4.83 118.16 108.39 2k8m n LYS 50 Ca -0.04 0.35 -0.27 0.00 -2.87 0.00 0.00 58.31 55.48 2k8m n LYS 50 Cb 0.35 -4.95 0.11 0.00 -1.84 0.00 0.00 35.03 28.70 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 -3.01 2.36 -3.64 1.97 5.02 -1.26 -4.88 118.16 114.71 2k8m n LYS 51 Ca -0.05 -2.85 -0.04 0.00 -2.02 0.00 0.00 58.31 53.35 2k8m n LYS 51 Cb 0.55 -2.12 -0.05 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 -3.24 0.14 -0.30 1.97 -2.85 -1.26 -4.89 119.74 109.31 2k8m s LYS 52 Ca 0.55 0.08 -0.01 0.00 -1.00 0.00 0.00 55.97 55.59 2k8m s LYS 52 Cb 0.45 0.07 0.19 0.00 -2.06 0.00 0.00 37.83 36.48 2k8m s LYS 52 CO 0.03 -0.04 0.64 0.21 0.10 0.00 0.00 175.35 176.29 2k8m s LYS 53 N -0.63 0.53 -0.02 1.78 2.20 -1.26 -4.76 119.74 117.58 2k8m s LYS 53 Ca 0.07 0.87 0.01 0.00 -0.36 0.00 0.00 55.97 56.56 2k8m s LYS 53 Cb -0.02 0.47 0.01 0.00 -1.51 0.00 0.00 37.83 36.79 2k8m s LYS 53 CO -0.09 -0.66 -0.03 0.12 -0.36 0.00 0.00 175.35 174.33 2k8m s PHE 54 N 2.86 0.50 0.02 4.03 5.36 -1.26 -5.05 117.98 124.44 2k8m s PHE 54 Ca 0.18 -0.09 0.07 0.00 -0.96 0.00 0.00 56.93 56.12 2k8m s PHE 54 Cb -0.14 -0.44 -0.03 0.00 -0.34 0.00 0.00 43.02 42.08 2k8m s PHE 54 CO -0.21 -0.10 -0.18 -1.21 -1.46 0.00 0.00 175.22 172.06 2k8m s GLU 55 N 0.54 2.15 0.42 10.12 2.02 -1.26 -2.10 118.70 130.59 2k8m s GLU 55 Ca -0.06 -0.93 -0.06 0.00 0.02 0.00 0.00 54.97 53.94 2k8m s GLU 55 Cb -0.09 -2.21 0.10 0.00 0.10 0.00 0.00 34.13 32.02 2k8m s GLU 55 CO -0.00 0.56 0.58 0.25 0.02 0.00 0.00 175.26 176.66 2k8m n THR 56 N 1.76 0.00 -2.54 3.63 -2.24 -0.87 -5.02 114.28 108.99 2k8m n THR 56 Ca -0.16 -0.52 -0.41 0.00 -2.27 0.00 0.00 64.05 60.69 2k8m n THR 56 Cb 0.52 -1.63 -0.04 0.00 -2.10 0.00 0.00 70.33 67.08 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 -4.18 4.60 -0.30 -0.78 2.36 -1.26 -4.90 119.74 115.28 2k8m s LYS 57 Ca 0.34 1.69 -0.28 0.00 -2.55 0.00 0.00 55.97 55.17 2k8m s LYS 57 Cb -0.01 -3.29 -0.05 0.00 -1.05 0.00 0.00 37.83 33.43 2k8m s LYS 57 CO 0.23 0.09 2.22 0.54 1.55 0.00 0.00 175.35 179.99 2k8m s VAL 58 N -0.20 3.05 -1.18 4.02 0.11 -1.26 -4.76 120.40 120.19 2k8m s VAL 58 Ca 0.49 0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 59.42 2k8m s VAL 58 Cb -0.29 -3.09 0.12 0.00 -1.53 0.00 0.00 36.38 31.59 2k8m s VAL 58 CO 0.34 -0.06 1.50 -1.00 -3.33 0.00 0.00 175.10 172.55 2k8m s HIS 59 N 9.19 3.10 0.06 1.54 0.09 -1.26 -4.98 115.29 123.02 2k8m s HIS 59 Ca 0.97 -1.72 -0.31 0.00 -0.00 0.00 0.00 55.06 54.01 2k8m s HIS 59 Cb -0.28 -4.50 -0.07 0.00 -0.00 0.00 0.00 32.58 27.73 2k8m s HIS 59 CO 0.32 -1.61 1.49 -0.98 -0.00 0.00 0.00 174.74 173.97 2k8m s ARG 60 N 3.00 4.26 -0.40 1.40 1.04 -1.26 -3.40 118.95 123.59 2k8m s ARG 60 Ca 0.46 2.14 -0.15 0.00 -1.04 0.00 0.00 55.73 57.13 2k8m s ARG 60 Cb -0.00 -3.48 0.02 0.00 -2.04 0.00 0.00 34.95 29.45 2k8m s ARG 60 CO 0.00 -0.60 0.48 1.63 -0.04 0.00 0.00 175.30 176.78 2k8m n LYS 61 N 5.04 -2.48 -3.60 3.89 4.76 -0.85 -4.96 118.16 119.95 2k8m n LYS 61 Ca 0.14 2.14 -0.09 0.00 -2.87 0.00 0.00 58.31 57.62 2k8m n LYS 61 Cb 0.42 -5.11 -0.06 0.00 -1.84 0.00 0.00 35.03 28.44 2k8m n LYS 61 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k8m s THR 62 N -2.27 0.00 -0.31 -0.18 -1.32 0.20 -4.91 115.64 106.86 2k8m s THR 62 Ca 0.21 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.72 2k8m s THR 62 Cb -0.05 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.97 2k8m s THR 62 CO 0.76 0.00 0.72 0.18 -2.21 0.00 0.00 174.62 174.07 2k8m n LEU 63 N 1.22 1.50 -2.99 9.08 4.77 -1.26 -4.01 117.00 125.30 2k8m n LEU 63 Ca -0.10 -1.27 -0.15 0.00 -0.03 0.00 0.00 56.01 54.45 2k8m n LEU 63 Cb 0.57 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 2k8m n LEU 63 CO 0.10 0.35 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.26 2k8m n ASN 64 N 0.04 -1.64 -4.68 -1.43 5.15 -1.25 -2.96 115.26 108.48 2k8m n ASN 64 Ca 0.02 -2.89 -0.42 0.00 -0.60 0.00 0.00 54.58 50.68 2k8m n ASN 64 Cb 0.13 0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 40.00 2k8m n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k8m s PRO 65 N 0.03 4.22 -0.34 1.20 0.04 -1.24 -4.86 135.00 134.04 2k8m s PRO 65 Ca 0.33 2.18 0.04 0.00 0.04 0.00 0.00 61.00 63.59 2k8m s PRO 65 Cb 0.14 -3.68 0.10 0.00 0.04 0.00 0.00 34.50 31.10 2k8m s PRO 65 CO -0.16 -0.71 0.05 0.14 0.04 0.00 0.00 177.00 176.36 2k8m s VAL 66 N 2.88 2.34 0.00 -0.36 -7.23 -1.26 -3.63 120.40 113.14 2k8m s VAL 66 Ca 0.71 -2.31 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 2k8m s VAL 66 Cb -0.36 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 33.87 2k8m s VAL 66 CO 0.30 -0.59 0.00 0.33 -0.31 0.00 0.00 175.10 174.83 2k8m n PHE 67 N 4.28 0.00 -3.31 2.82 7.35 -1.26 -5.07 117.46 122.26 2k8m n PHE 67 Ca 0.03 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.56 2k8m n PHE 67 Cb 0.42 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.32 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k8m n ASN 68 N -0.49 -5.51 -4.79 -2.13 5.15 -1.23 -4.97 115.26 101.30 2k8m n ASN 68 Ca 0.00 -0.71 -0.35 0.00 -0.60 0.00 0.00 54.58 52.92 2k8m n ASN 68 Cb 0.00 -5.10 -0.02 0.00 -0.53 0.00 0.00 39.78 34.13 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 -4.69 3.78 -0.09 1.20 8.01 -1.24 -4.83 118.70 120.84 2k8m s GLU 69 Ca 0.35 1.50 0.02 0.00 0.01 0.00 0.00 54.97 56.86 2k8m s GLU 69 Cb -0.05 -2.22 -0.02 0.00 -4.31 0.00 0.00 34.13 27.53 2k8m s GLU 69 CO 0.74 -0.47 -0.15 -1.14 0.01 0.00 0.00 175.26 174.25 2k8m s GLN 70 N -3.01 2.97 -0.07 1.61 -0.44 -1.26 -3.07 119.66 116.39 2k8m s GLN 70 Ca 0.66 -0.72 0.05 0.00 -2.50 0.00 0.00 55.36 52.85 2k8m s GLN 70 Cb -0.21 -2.48 -0.01 0.00 -1.64 0.00 0.00 33.01 28.68 2k8m s GLN 70 CO 0.25 0.38 -0.22 0.12 0.50 0.00 0.00 175.29 176.32 2k8m s PHE 71 N -0.10 2.27 -0.38 1.67 5.36 0.31 -5.00 117.98 122.11 2k8m s PHE 71 Ca -0.02 -0.75 -0.17 0.00 -0.96 0.00 0.00 56.93 55.03 2k8m s PHE 71 Cb -0.14 -1.51 0.01 0.00 -0.34 0.00 0.00 43.02 41.04 2k8m s PHE 71 CO 0.04 -0.26 0.44 0.99 -1.46 0.00 0.00 175.22 174.97 2k8m s THR 72 N 0.05 5.08 -1.01 0.12 2.01 -1.26 -1.49 115.64 119.14 2k8m s THR 72 Ca -0.08 -0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.67 2k8m s THR 72 Cb -0.15 -3.96 0.09 0.00 0.01 0.00 0.00 72.50 68.49 2k8m s THR 72 CO 0.05 -0.28 1.33 0.12 -0.69 0.00 0.00 174.62 175.15 2k8m s PHE 73 N 2.20 2.84 -1.10 4.92 5.36 -0.73 -4.92 117.98 126.54 2k8m s PHE 73 Ca 0.14 -1.18 -0.22 0.00 -0.96 0.00 0.00 56.93 54.71 2k8m s PHE 73 Cb -0.16 -4.51 -0.03 0.00 -0.34 0.00 0.00 43.02 37.98 2k8m s PHE 73 CO 0.13 -1.72 1.83 0.15 -1.46 0.00 0.00 175.22 174.15 2k8m s LYS 74 N 3.81 2.96 -0.23 10.12 -0.14 -1.26 -2.40 119.74 132.59 2k8m s LYS 74 Ca 0.41 -1.07 -0.08 0.00 -1.36 0.00 0.00 55.97 53.87 2k8m s LYS 74 Cb -0.02 -5.27 0.10 0.00 -1.68 0.00 0.00 37.83 30.97 2k8m s LYS 74 CO -0.08 -3.22 0.50 0.08 -0.76 0.00 0.00 175.35 171.87 2k8m s VAL 75 N 8.55 -0.76 0.39 3.17 1.01 -1.24 -4.98 120.40 126.54 2k8m s VAL 75 Ca 0.63 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 2k8m s VAL 75 Cb -0.01 -0.78 -0.11 0.00 0.00 0.00 0.00 36.38 35.47 2k8m s VAL 75 CO 0.05 0.05 1.32 -2.65 0.00 0.00 0.00 175.10 173.86 2k8m n PRO 76 N 5.39 2.12 0.32 2.72 -0.02 -1.26 -4.40 135.00 139.88 2k8m n PRO 76 Ca -0.10 0.75 0.20 0.00 -2.02 0.00 0.00 63.50 62.33 2k8m n PRO 76 Cb 0.49 -2.42 1.07 0.00 -0.02 0.00 0.00 33.50 32.63 2k8m n PRO 76 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 2k8m h TYR 77 N 2.38 0.00 0.00 6.00 -0.00 -1.95 0.13 116.97 123.53 2k8m h TYR 77 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.21 2k8m h TYR 77 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.01 2k8m h TYR 77 CO 0.50 0.00 -0.21 0.77 -0.00 0.00 0.00 178.16 179.21 2k8m h SER 78 N 0.00 0.00 -0.02 0.10 0.02 -2.02 -2.54 113.55 109.10 2k8m h SER 78 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k8m h SER 78 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2k8m h SER 78 CO -0.00 0.21 -0.24 -0.62 -1.14 0.00 0.00 176.83 175.04 2k8m n GLU 79 N -3.49 1.59 -0.13 3.45 1.02 0.41 -4.43 120.64 119.07 2k8m n GLU 79 Ca -0.01 -1.18 0.05 0.00 -0.02 0.00 0.00 57.16 56.01 2k8m n GLU 79 Cb 0.38 -1.36 0.36 0.00 -0.02 0.00 0.00 31.44 30.80 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 2.72 0.62 -1.70 -4.62 5.85 -0.99 -1.03 115.31 116.16 2k8m h LEU 80 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k8m h LEU 80 Cb 0.70 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2k8m h LEU 80 CO 0.00 0.43 0.00 1.23 -0.34 0.00 0.00 178.44 179.76 2k8m h GLY 81 N 0.72 0.00 -0.64 3.75 0.00 -1.77 -2.40 103.07 102.74 2k8m h GLY 81 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2k8m h GLY 81 CO -0.07 0.00 -0.28 0.61 0.00 0.00 0.00 176.54 176.80 2k8m n GLY 82 N -0.75 3.99 3.02 4.60 0.00 -0.43 -4.55 105.19 111.08 2k8m n GLY 82 Ca -0.01 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.31 1.98 -0.13 1.61 2.47 -0.90 -5.08 119.74 117.37 2k8m s LYS 83 Ca 0.29 -0.47 0.01 0.00 -1.56 0.00 0.00 55.97 54.24 2k8m s LYS 83 Cb 0.27 -1.73 0.02 0.00 -1.46 0.00 0.00 37.83 34.93 2k8m s LYS 83 CO -0.02 -0.09 -0.16 0.99 0.16 0.00 0.00 175.35 176.24 2k8m s THR 84 N 1.06 1.65 0.09 3.43 2.01 -1.26 -4.11 115.64 118.50 2k8m s THR 84 Ca -0.06 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.29 2k8m s THR 84 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2k8m s THR 84 CO -0.02 0.47 -0.03 -1.48 -0.69 0.00 0.00 174.62 172.87 2k8m s LEU 85 N 1.18 3.32 0.08 4.42 2.34 -1.26 -3.71 118.68 125.04 2k8m s LEU 85 Ca -0.01 -0.24 0.05 0.00 0.06 0.00 0.00 54.13 53.98 2k8m s LEU 85 Cb -0.14 -2.07 -0.03 0.00 -0.56 0.00 0.00 46.19 43.39 2k8m s LEU 85 CO -0.06 0.18 -0.13 0.68 -1.06 0.00 0.00 176.35 175.96 2k8m s VAL 86 N -1.27 1.09 -0.26 1.48 -7.23 -0.16 -3.46 120.40 110.59 2k8m s VAL 86 Ca 0.24 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2k8m s VAL 86 Cb -0.11 -1.16 0.05 0.00 0.56 0.00 0.00 36.38 35.71 2k8m s VAL 86 CO 0.16 -0.31 -0.08 -0.32 -0.31 0.00 0.00 175.10 174.25 2k8m s MET 87 N -2.03 2.47 -0.12 4.82 1.75 -0.96 -0.57 119.30 124.65 2k8m s MET 87 Ca 0.00 -1.21 -0.04 0.00 -1.25 0.00 0.00 55.69 53.19 2k8m s MET 87 Cb -0.08 -2.97 -0.04 0.00 2.84 0.00 0.00 34.83 34.59 2k8m s MET 87 CO 0.02 -0.52 0.03 0.00 -0.65 0.00 0.00 175.02 173.89 2k8m s ALA 88 N 1.20 3.36 -0.27 4.11 0.00 -0.53 -2.57 121.76 127.06 2k8m s ALA 88 Ca -0.05 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 2k8m s ALA 88 Cb -0.19 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 2k8m s ALA 88 CO -0.04 0.45 0.32 0.54 0.00 0.00 0.00 175.76 177.03 2k8m s VAL 89 N -0.45 5.22 -0.10 0.00 0.11 -0.40 -0.40 120.40 124.38 2k8m s VAL 89 Ca 0.09 0.47 -0.01 0.00 -2.93 0.00 0.00 61.98 59.60 2k8m s VAL 89 Cb -0.12 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 2k8m s VAL 89 CO 0.02 0.19 -0.05 -0.47 -3.33 0.00 0.00 175.10 171.47 2k8m s TYR 90 N 1.90 3.00 0.30 1.54 5.04 0.78 -2.39 117.35 127.52 2k8m s TYR 90 Ca 0.13 -0.07 -0.08 0.00 -2.44 0.00 0.00 57.07 54.61 2k8m s TYR 90 Cb -0.16 -1.81 -0.06 0.00 0.35 0.00 0.00 41.96 40.28 2k8m s TYR 90 CO 0.10 0.22 0.61 0.34 -1.34 0.00 0.00 175.55 175.47 2k8m s ASP 91 N -0.40 6.51 -0.41 4.32 2.15 -1.11 -0.06 116.67 127.67 2k8m s ASP 91 Ca 0.06 0.87 0.11 0.00 0.43 0.00 0.00 52.55 54.02 2k8m s ASP 91 Cb -0.12 -2.21 0.36 0.00 -0.30 0.00 0.00 42.92 40.64 2k8m s ASP 91 CO 0.02 -0.21 0.80 0.33 -0.17 0.00 0.00 175.17 175.93 2k8m n PHE 92 N -0.82 1.12 0.17 -5.34 7.35 0.84 -4.57 117.46 116.22 2k8m n PHE 92 Ca -0.00 -3.79 0.11 0.00 -0.76 0.00 0.00 57.45 53.01 2k8m n PHE 92 Cb 0.54 -0.43 0.58 0.00 0.35 0.00 0.00 39.48 40.51 2k8m n PHE 92 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 2k8m n ASP 93 N 0.13 0.56 -1.75 -2.13 5.75 -1.26 -4.62 116.55 113.23 2k8m n ASP 93 Ca 0.26 0.75 -0.16 0.00 -0.01 0.00 0.00 54.79 55.63 2k8m n ASP 93 Cb 0.61 -0.83 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 2k8m n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k8m n ARG 94 N -2.25 -1.25 0.08 0.11 3.00 -1.26 -4.73 116.66 110.36 2k8m n ARG 94 Ca -0.01 0.80 0.00 0.00 -0.01 0.00 0.00 57.85 58.63 2k8m n ARG 94 Cb 0.04 -5.16 0.00 0.00 0.00 0.00 0.00 32.46 27.34 2k8m n ARG 94 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k8m n PHE 95 N -3.85 -2.61 -1.57 -1.55 7.35 -1.26 -5.14 117.46 108.83 2k8m n PHE 95 Ca -0.19 0.47 -0.29 0.00 -0.76 0.00 0.00 57.45 56.69 2k8m n PHE 95 Cb 0.63 1.43 0.16 0.00 0.35 0.00 0.00 39.48 42.05 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 -2.28 3.07 -1.46 -2.13 0.01 -1.26 -4.89 113.70 104.76 2k8m s SER 96 Ca 0.00 0.75 -0.13 0.00 1.31 0.00 0.00 55.95 57.87 2k8m s SER 96 Cb 0.00 -1.15 0.01 0.00 0.21 0.00 0.00 66.02 65.09 2k8m s SER 96 CO 0.00 -2.80 2.35 0.29 0.41 0.00 0.00 173.24 173.49 2k8m n LYS 97 N -3.90 2.95 -1.61 12.44 4.76 -1.26 -4.86 118.16 126.69 2k8m n LYS 97 Ca 0.10 -2.49 -0.46 0.00 -2.87 0.00 0.00 58.31 52.59 2k8m n LYS 97 Cb 0.59 -3.18 -0.02 0.00 -1.84 0.00 0.00 35.03 30.58 2k8m n LYS 97 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2k8m n HIS 98 N 5.67 1.51 -4.04 2.13 1.44 -1.26 -4.99 115.22 115.68 2k8m n HIS 98 Ca 0.57 0.64 -0.02 0.00 -2.01 0.00 0.00 57.72 56.89 2k8m n HIS 98 Cb 0.36 -2.31 -0.01 0.00 0.12 0.00 0.00 29.99 28.15 2k8m n HIS 98 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2k8m n ASP 99 N 1.60 0.76 -4.60 4.39 -0.08 -1.26 -4.85 116.55 112.51 2k8m n ASP 99 Ca 0.11 -1.18 -0.43 0.00 -1.51 0.00 0.00 54.79 51.78 2k8m n ASP 99 Cb 0.30 0.10 -0.03 0.00 2.34 0.00 0.00 41.12 43.82 2k8m n ASP 99 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2k8m s ILE 100 N -1.75 4.51 -0.48 5.18 1.01 -1.26 -2.75 121.20 125.65 2k8m s ILE 100 Ca 0.02 1.13 0.26 0.00 0.00 0.00 0.00 60.65 62.06 2k8m s ILE 100 Cb 0.00 -4.40 0.31 0.00 0.01 0.00 0.00 42.46 38.39 2k8m s ILE 100 CO 0.01 -0.66 1.74 0.16 0.00 0.00 0.00 174.94 176.20 2k8m h ILE 101 N 5.93 0.00 0.00 2.92 -2.65 -1.81 -3.41 117.51 118.48 2k8m h ILE 101 Ca -0.23 -0.60 0.00 0.00 1.03 0.00 0.00 64.86 65.06 2k8m h ILE 101 Cb 1.07 1.56 0.00 0.00 -2.05 0.00 0.00 36.82 37.40 2k8m h ILE 101 CO 1.01 0.00 0.00 0.61 0.03 0.00 0.00 178.15 179.80 2k8m n GLY 102 N 0.85 -0.44 2.37 0.16 0.00 -1.26 -4.20 105.19 102.67 2k8m n GLY 102 Ca 0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.37 0.47 -3.69 1.61 0.28 0.48 -1.27 120.64 118.14 2k8m n GLU 103 Ca 0.00 -1.03 -0.14 0.00 -0.16 0.00 0.00 57.16 55.84 2k8m n GLU 103 Cb 0.00 1.36 -0.09 0.00 1.43 0.00 0.00 31.44 34.14 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 -3.86 -0.48 0.02 -1.84 -0.71 -1.06 -1.76 117.98 108.29 2k8m s PHE 104 Ca 0.13 1.07 0.08 0.00 -1.04 0.00 0.00 56.93 57.17 2k8m s PHE 104 Cb -0.02 0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.96 2k8m s PHE 104 CO 0.04 -0.33 -0.22 -1.59 -1.34 0.00 0.00 175.22 171.78 2k8m s LYS 105 N -0.25 2.02 -0.07 1.99 0.00 -1.26 -2.28 119.74 119.89 2k8m s LYS 105 Ca -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 55.97 54.92 2k8m s LYS 105 Cb -0.03 -2.11 0.03 0.00 0.00 0.00 0.00 37.83 35.72 2k8m s LYS 105 CO 0.03 0.54 0.01 0.54 0.00 0.00 0.00 175.35 176.47 2k8m s VAL 106 N -0.81 0.32 -0.58 1.79 0.11 -1.22 -5.07 120.40 114.93 2k8m s VAL 106 Ca 0.12 0.16 -0.28 0.00 -2.93 0.00 0.00 61.98 59.06 2k8m s VAL 106 Cb -0.10 -0.49 0.02 0.00 -1.53 0.00 0.00 36.38 34.28 2k8m s VAL 106 CO 0.03 0.25 1.37 -2.16 -3.33 0.00 0.00 175.10 171.26 2k8m s PRO 107 N 2.00 3.32 0.55 1.54 0.04 -1.26 -4.17 135.00 137.02 2k8m s PRO 107 Ca 0.05 0.38 0.35 0.00 0.04 0.00 0.00 61.00 61.82 2k8m s PRO 107 Cb -0.12 -4.11 1.56 0.00 0.04 0.00 0.00 34.50 31.87 2k8m s PRO 107 CO -0.05 -1.92 2.04 0.52 0.04 0.00 0.00 177.00 177.63 2k8m h MET 108 N 10.78 0.00 -0.46 4.56 2.86 -1.83 -1.55 114.93 129.29 2k8m h MET 108 Ca -0.27 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 2k8m h MET 108 Cb 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 2k8m h MET 108 CO 1.19 0.00 -0.15 -0.97 1.06 0.00 0.00 176.91 178.03 2k8m h ASN 109 N 0.00 0.88 0.30 1.22 -1.24 -1.80 -3.13 115.58 111.81 2k8m h ASN 109 Ca 0.00 -0.30 -0.33 0.00 0.71 0.00 0.00 56.30 56.38 2k8m h ASN 109 Cb 0.38 -0.24 0.03 0.00 0.73 0.00 0.00 38.32 39.22 2k8m h ASN 109 CO 0.00 1.03 -1.50 0.74 -1.29 0.00 0.00 177.43 176.41 2k8m h THR 110 N 0.78 1.26 -2.34 -3.57 2.02 -1.78 -3.42 112.91 105.86 2k8m h THR 110 Ca 0.12 -2.72 -0.60 0.00 0.77 0.00 0.00 66.41 63.98 2k8m h THR 110 Cb 0.68 3.00 -0.12 0.00 -1.74 0.00 0.00 68.15 69.97 2k8m h THR 110 CO 0.05 0.83 0.88 -0.69 0.37 0.00 0.00 175.52 176.96 2k8m s VAL 111 N -2.60 4.08 0.42 3.16 1.01 -0.64 -5.01 120.40 120.81 2k8m s VAL 111 Ca -0.09 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.44 2k8m s VAL 111 Cb 0.05 -4.83 -0.09 0.00 0.00 0.00 0.00 36.38 31.51 2k8m s VAL 111 CO 0.93 -1.68 1.04 1.51 0.00 0.00 0.00 175.10 176.90 2k8m s ASP 112 N 3.85 6.70 -1.35 3.32 -4.77 -1.26 -4.74 116.67 118.43 2k8m s ASP 112 Ca 0.31 1.98 -0.07 0.00 -3.30 0.00 0.00 52.55 51.47 2k8m s ASP 112 Cb -0.10 -2.58 0.03 0.00 -1.09 0.00 0.00 42.92 39.18 2k8m s ASP 112 CO 0.08 -0.53 2.64 2.22 0.70 0.00 0.00 175.17 180.28 2k8m n PHE 113 N -0.28 2.41 -0.14 2.11 -1.74 -1.26 -4.66 117.46 113.89 2k8m n PHE 113 Ca 0.06 -2.84 -0.09 0.00 -0.56 0.00 0.00 57.45 54.02 2k8m n PHE 113 Cb 0.51 -2.03 -0.01 0.00 1.52 0.00 0.00 39.48 39.46 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k8m h GLY 114 N 5.97 0.70 0.00 4.97 0.00 -2.00 -3.46 103.07 109.24 2k8m h GLY 114 Ca 0.73 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.65 2k8m h GLY 114 CO 1.52 0.38 0.00 1.42 0.00 0.00 0.00 176.54 179.86 2k8m n HIS 115 N -4.58 -1.06 -3.73 5.60 8.25 -1.26 -5.16 115.22 113.28 2k8m n HIS 115 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2k8m n HIS 115 Cb 0.18 0.28 -0.08 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.55 0.06 -0.48 1.59 -7.23 -1.26 -4.41 120.40 108.11 2k8m s VAL 116 Ca 0.00 -0.51 0.03 0.00 -1.81 0.00 0.00 61.98 59.69 2k8m s VAL 116 Cb 0.00 -0.77 0.14 0.00 0.56 0.00 0.00 36.38 36.31 2k8m s VAL 116 CO 0.00 -0.28 0.28 -0.89 -0.31 0.00 0.00 175.10 173.90 2k8m s THR 117 N -1.83 1.75 -0.29 5.32 2.01 0.11 -4.98 115.64 117.73 2k8m s THR 117 Ca -0.10 -2.92 -0.07 0.00 0.31 0.00 0.00 61.69 58.92 2k8m s THR 117 Cb -0.03 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.28 2k8m s THR 117 CO 0.02 -0.91 0.08 -1.61 -0.69 0.00 0.00 174.62 171.50 2k8m s GLU 118 N -0.01 3.12 0.28 4.92 2.02 -1.26 -0.83 118.70 126.94 2k8m s GLU 118 Ca 0.19 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.30 2k8m s GLU 118 Cb -0.21 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.68 2k8m s GLU 118 CO -0.03 -0.43 0.45 -0.85 0.02 0.00 0.00 175.26 174.42 2k8m n GLU 119 N 4.87 0.64 -3.83 1.61 0.28 -1.05 -5.02 120.64 118.15 2k8m n GLU 119 Ca -0.15 -2.03 -0.34 0.00 -0.16 0.00 0.00 57.16 54.49 2k8m n GLU 119 Cb 0.48 2.10 -0.12 0.00 1.43 0.00 0.00 31.44 35.33 2k8m n GLU 119 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2k8m s TRP 120 N -3.52 3.36 0.06 -1.84 0.52 -1.26 -2.46 118.94 113.79 2k8m s TRP 120 Ca 0.19 -2.88 -0.28 0.00 0.02 0.00 0.00 56.10 53.15 2k8m s TRP 120 Cb -0.02 -3.04 -0.05 0.00 -1.15 0.00 0.00 33.47 29.21 2k8m s TRP 120 CO 0.14 -0.82 0.87 0.50 0.02 0.00 0.00 176.95 177.66 2k8m s ARG 121 N 0.01 4.58 0.36 4.98 6.06 -0.86 -4.84 118.95 129.25 2k8m s ARG 121 Ca 0.16 1.26 -0.25 0.00 -2.50 0.00 0.00 55.73 54.40 2k8m s ARG 121 Cb -0.22 -3.39 -0.09 0.00 0.06 0.00 0.00 34.95 31.30 2k8m s ARG 121 CO -0.03 0.19 1.04 0.16 -2.50 0.00 0.00 175.30 174.16 2k8m s ASP 122 N 0.18 6.98 0.03 -2.12 -4.77 -1.26 -0.59 116.67 115.12 2k8m s ASP 122 Ca 0.44 2.04 -0.09 0.00 -3.30 0.00 0.00 52.55 51.64 2k8m s ASP 122 Cb -0.22 -2.59 -0.05 0.00 -1.09 0.00 0.00 42.92 38.97 2k8m s ASP 122 CO 0.26 -0.33 0.32 -0.76 0.70 0.00 0.00 175.17 175.36 2k8m s LEU 123 N -2.29 4.37 -0.10 2.11 1.43 0.21 -4.86 118.68 119.57 2k8m s LEU 123 Ca 0.54 0.68 0.03 0.00 -1.03 0.00 0.00 54.13 54.34 2k8m s LEU 123 Cb -0.23 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.24 2k8m s LEU 123 CO 0.29 0.24 -0.20 -1.10 0.23 0.00 0.00 176.35 175.81 2k8m s GLN 124 N -1.71 3.02 -1.27 1.70 -0.21 -0.72 -2.97 119.66 117.50 2k8m s GLN 124 Ca 0.28 -0.81 -0.19 0.00 0.02 0.00 0.00 55.36 54.66 2k8m s GLN 124 Cb -0.14 -2.38 0.02 0.00 1.00 0.00 0.00 33.01 31.51 2k8m s GLN 124 CO 0.16 0.26 1.82 0.43 -2.12 0.00 0.00 175.29 175.84 2k8m n SER 125 N 3.33 4.33 -4.54 5.90 7.64 -1.25 -0.39 113.62 128.64 2k8m n SER 125 Ca -0.18 -2.85 -0.43 0.00 1.01 0.00 0.00 58.87 56.42 2k8m n SER 125 Cb 0.53 -1.73 -0.01 0.00 -1.01 0.00 0.00 64.21 61.99 2k8m n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8m s ALA 126 N 5.99 3.24 0.05 -0.43 0.00 -1.26 -4.84 121.76 124.51 2k8m s ALA 126 Ca 0.57 -2.75 -0.30 0.00 0.00 0.00 0.00 51.96 49.48 2k8m s ALA 126 Cb 0.04 -4.44 -0.09 0.00 0.00 0.00 0.00 23.12 18.63 2k8m s ALA 126 CO 0.09 -3.27 1.89 -1.21 0.00 0.00 0.00 175.76 173.25 2k8m s GLU 127 N 3.81 4.15 0.00 0.00 2.02 -1.26 -4.60 118.70 122.81 2k8m s GLU 127 Ca 0.46 2.55 0.26 0.00 0.02 0.00 0.00 54.97 58.26 2k8m s GLU 127 Cb 0.00 -3.98 0.53 0.00 0.10 0.00 0.00 34.13 30.79 2k8m s GLU 127 CO -0.02 -0.91 1.45 1.63 0.02 0.00 0.00 175.26 177.44