#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 0.32 0.00 3.49 0.00 -1.26 -4.81 119.74 117.48 2k8m s LYS 2 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 55.97 55.96 2k8m s LYS 2 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 37.83 37.41 2k8m s LYS 2 CO 0.00 -0.06 0.00 -0.11 0.00 0.00 0.00 175.35 175.18 2k8m n LEU 3 N 3.71 0.00 0.00 2.77 7.94 -1.25 -4.35 117.00 125.82 2k8m n LEU 3 Ca -0.22 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 2k8m n LEU 3 Cb 0.53 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.58 2k8m n LEU 3 CO 0.24 -0.09 0.00 0.61 -1.11 0.00 0.00 177.39 177.04 2k8m n GLY 4 N -1.09 -0.60 3.04 -3.96 0.00 -1.26 -4.43 105.19 96.90 2k8m n GLY 4 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.23 1.56 -0.21 1.61 1.02 -1.10 -0.61 119.74 121.78 2k8m s LYS 5 Ca 0.00 -0.42 -0.05 0.00 0.02 0.00 0.00 55.97 55.52 2k8m s LYS 5 Cb 0.00 -1.33 -0.02 0.00 -0.52 0.00 0.00 37.83 35.96 2k8m s LYS 5 CO 0.00 0.08 -0.01 -1.17 -0.92 0.00 0.00 175.35 173.34 2k8m s LEU 6 N 0.46 3.19 -0.20 3.17 0.20 0.50 0.45 118.68 126.45 2k8m s LEU 6 Ca -0.10 -0.24 -0.16 0.00 0.69 0.00 0.00 54.13 54.32 2k8m s LEU 6 Cb -0.14 -1.81 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 2k8m s LEU 6 CO 0.03 0.04 0.41 -1.10 -0.29 0.00 0.00 176.35 175.44 2k8m s GLN 7 N 1.11 4.18 0.24 1.98 -1.52 0.04 -1.90 119.66 123.78 2k8m s GLN 7 Ca 0.02 0.22 -0.13 0.00 -1.95 0.00 0.00 55.36 53.52 2k8m s GLN 7 Cb -0.14 -3.54 -0.00 0.00 -0.22 0.00 0.00 33.01 29.11 2k8m s GLN 7 CO 0.01 -0.04 0.48 1.52 -0.25 0.00 0.00 175.29 177.00 2k8m s TYR 8 N 1.32 0.32 -0.04 0.91 1.13 -1.21 -0.24 117.35 119.55 2k8m s TYR 8 Ca 0.19 -0.68 -0.02 0.00 -1.41 0.00 0.00 57.07 55.16 2k8m s TYR 8 Cb -0.15 0.20 0.03 0.00 -1.10 0.00 0.00 41.96 40.95 2k8m s TYR 8 CO 0.08 -0.98 0.07 -1.54 -2.51 0.00 0.00 175.55 170.68 2k8m s SER 9 N -3.00 0.56 -0.13 -0.18 1.04 -0.07 -3.12 113.70 108.80 2k8m s SER 9 Ca 0.21 0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 2k8m s SER 9 Cb -0.01 -0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 2k8m s SER 9 CO 0.08 -0.20 -0.04 -0.76 0.98 0.00 0.00 173.24 173.30 2k8m s LEU 10 N 1.69 3.24 0.21 2.42 1.43 0.28 -2.74 118.68 125.21 2k8m s LEU 10 Ca -0.02 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2k8m s LEU 10 Cb -0.12 -1.76 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2k8m s LEU 10 CO -0.04 0.23 0.04 1.51 0.23 0.00 0.00 176.35 178.32 2k8m s ASP 11 N 0.01 1.19 0.14 2.29 1.47 -1.00 0.07 116.67 120.84 2k8m s ASP 11 Ca 0.00 -1.26 0.09 0.00 1.18 0.00 0.00 52.55 52.56 2k8m s ASP 11 Cb -0.13 0.14 -0.04 0.00 -0.34 0.00 0.00 42.92 42.55 2k8m s ASP 11 CO 0.03 -0.63 -0.20 -0.72 0.68 0.00 0.00 175.17 174.32 2k8m s TYR 12 N -3.70 1.87 -0.04 2.11 1.13 -1.26 -0.31 117.35 117.15 2k8m s TYR 12 Ca 0.30 -0.44 0.04 0.00 -1.41 0.00 0.00 57.07 55.56 2k8m s TYR 12 Cb 0.07 -0.97 -0.00 0.00 -1.10 0.00 0.00 41.96 39.96 2k8m s TYR 12 CO 0.08 0.30 -0.15 0.34 -2.51 0.00 0.00 175.55 173.61 2k8m s ASP 13 N -2.37 1.94 0.00 -0.18 -1.08 -0.55 -4.89 116.67 109.52 2k8m s ASP 13 Ca 0.13 -0.31 0.14 0.00 -0.52 0.00 0.00 52.55 51.99 2k8m s ASP 13 Cb -0.08 -0.53 0.24 0.00 -1.46 0.00 0.00 42.92 41.10 2k8m s ASP 13 CO 0.06 0.13 1.13 2.22 0.52 0.00 0.00 175.17 179.23 2k8m n PHE 14 N 3.17 0.27 -0.02 -5.34 1.16 -1.26 -2.50 117.46 112.93 2k8m n PHE 14 Ca -0.18 -0.22 -0.20 0.00 -1.87 0.00 0.00 57.45 54.98 2k8m n PHE 14 Cb 0.53 -0.01 -0.14 0.00 -1.61 0.00 0.00 39.48 38.26 2k8m n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k8m n GLN 15 N 0.83 0.73 0.00 3.97 10.64 -1.26 -4.29 117.38 128.01 2k8m n GLN 15 Ca 0.12 0.24 0.08 0.00 -1.83 0.00 0.00 57.00 55.60 2k8m n GLN 15 Cb 0.42 -1.68 -0.03 0.00 -0.86 0.00 0.00 30.24 28.09 2k8m n GLN 15 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2k8m n ASN 16 N -3.41 1.34 -2.96 2.61 0.23 -1.26 -5.03 115.26 106.78 2k8m n ASN 16 Ca -0.34 -1.17 -0.03 0.00 -0.53 0.00 0.00 54.58 52.51 2k8m n ASN 16 Cb 1.04 0.64 0.00 0.00 -2.08 0.00 0.00 39.78 39.39 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 -0.53 -7.82 -3.62 0.53 5.15 -1.20 -5.00 115.26 102.78 2k8m n ASN 17 Ca 0.05 0.17 -0.05 0.00 -0.60 0.00 0.00 54.58 54.16 2k8m n ASN 17 Cb 0.31 -5.31 -0.02 0.00 -0.53 0.00 0.00 39.78 34.23 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8m s GLN 18 N -2.84 0.91 -0.22 1.20 1.03 -1.04 -3.94 119.66 114.77 2k8m s GLN 18 Ca 0.10 -0.43 -0.08 0.00 0.04 0.00 0.00 55.36 54.99 2k8m s GLN 18 Cb -0.03 0.36 -0.04 0.00 0.03 0.00 0.00 33.01 33.33 2k8m s GLN 18 CO 0.75 -0.41 0.10 -0.51 -2.54 0.00 0.00 175.29 172.68 2k8m s LEU 19 N -2.69 3.83 -0.61 2.60 1.43 -0.26 -1.49 118.68 121.49 2k8m s LEU 19 Ca 0.09 0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.94 2k8m s LEU 19 Cb -0.01 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.25 2k8m s LEU 19 CO -0.04 0.08 1.13 -0.22 0.23 0.00 0.00 176.35 177.54 2k8m s LEU 20 N 0.92 3.62 -0.54 1.79 1.98 0.58 -1.84 118.68 125.19 2k8m s LEU 20 Ca 0.05 -0.20 -0.21 0.00 -2.89 0.00 0.00 54.13 50.89 2k8m s LEU 20 Cb -0.14 -2.90 0.06 0.00 0.66 0.00 0.00 46.19 43.87 2k8m s LEU 20 CO 0.03 -1.49 0.74 -0.69 -1.89 0.00 0.00 176.35 173.05 2k8m s VAL 21 N 4.80 4.71 -0.16 1.68 1.01 -0.82 -2.36 120.40 129.25 2k8m s VAL 21 Ca 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2k8m s VAL 21 Cb -0.09 -4.41 0.00 0.00 0.00 0.00 0.00 36.38 31.87 2k8m s VAL 21 CO 0.21 -0.98 -0.16 -0.83 0.00 0.00 0.00 175.10 173.34 2k8m s GLY 22 N 2.95 1.46 -0.00 4.51 0.00 -1.11 -1.55 107.32 113.58 2k8m s GLY 22 Ca 0.19 -1.09 0.01 0.00 0.00 0.00 0.00 44.72 43.83 2k8m s GLY 22 CO 0.13 0.10 -0.00 -0.26 0.00 0.00 0.00 173.10 173.06 2k8m s ILE 23 N 0.95 4.14 -0.08 0.90 -0.00 -1.22 -0.89 121.20 125.00 2k8m s ILE 23 Ca -0.03 -0.60 -0.07 0.00 -0.00 0.00 0.00 60.65 59.95 2k8m s ILE 23 Cb -0.15 -2.84 -0.02 0.00 -0.00 0.00 0.00 42.46 39.45 2k8m s ILE 23 CO -0.03 0.38 -0.13 -0.38 -0.00 0.00 0.00 174.94 174.78 2k8m n ILE 24 N 1.41 0.77 -3.76 8.37 5.41 0.67 -3.71 119.36 128.53 2k8m n ILE 24 Ca -0.15 0.33 -0.04 0.00 1.00 0.00 0.00 62.75 63.90 2k8m n ILE 24 Cb 0.53 -1.97 -0.01 0.00 -0.71 0.00 0.00 39.64 37.48 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 -1.81 1.23 -0.18 0.38 -2.07 -1.10 -3.59 119.66 112.51 2k8m s GLN 25 Ca -0.11 -0.68 0.01 0.00 -1.82 0.00 0.00 55.36 52.76 2k8m s GLN 25 Cb 0.02 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 32.38 2k8m s GLN 25 CO 0.16 -0.56 -0.19 0.00 -1.32 0.00 0.00 175.29 173.39 2k8m s ALA 26 N -3.32 2.31 -0.83 2.60 0.00 -1.20 -0.78 121.76 120.52 2k8m s ALA 26 Ca 0.12 -1.24 -0.25 0.00 0.00 0.00 0.00 51.96 50.59 2k8m s ALA 26 Cb -0.02 -1.21 0.05 0.00 0.00 0.00 0.00 23.12 21.94 2k8m s ALA 26 CO 0.02 -0.44 1.29 0.00 0.00 0.00 0.00 175.76 176.64 2k8m s ALA 27 N 1.29 2.81 0.10 0.00 0.00 0.17 -4.00 121.76 122.13 2k8m s ALA 27 Ca 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.20 2k8m s ALA 27 Cb -0.14 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 18.69 2k8m s ALA 27 CO -0.12 -3.33 0.00 0.39 0.00 0.00 0.00 175.76 172.70 2k8m n GLU 28 N 8.88 -1.23 -4.06 0.00 1.02 -1.19 -2.71 120.64 121.35 2k8m n GLU 28 Ca 0.13 0.89 -0.09 0.00 -0.02 0.00 0.00 57.16 58.07 2k8m n GLU 28 Cb 0.49 -0.99 -0.11 0.00 -0.02 0.00 0.00 31.44 30.82 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 -1.44 2.38 0.62 -4.62 1.43 -0.96 -4.04 118.68 112.05 2k8m s LEU 29 Ca 0.00 -0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 52.14 2k8m s LEU 29 Cb 0.00 0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.26 2k8m s LEU 29 CO 0.00 -0.42 1.26 -2.84 0.23 0.00 0.00 176.35 174.58 2k8m s PRO 30 N -2.75 2.78 -0.08 1.29 0.02 -1.26 -4.90 135.00 130.10 2k8m s PRO 30 Ca -0.02 1.98 -0.18 0.00 0.02 0.00 0.00 61.00 62.79 2k8m s PRO 30 Cb -0.01 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 2k8m s PRO 30 CO -0.05 -1.40 0.48 0.00 -0.33 0.00 0.00 177.00 175.70 2k8m s ALA 31 N -1.47 3.52 0.00 -1.55 0.00 -1.26 -4.71 121.76 116.29 2k8m s ALA 31 Ca 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2k8m s ALA 31 Cb -0.35 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2k8m s ALA 31 CO 0.37 0.13 0.00 -0.11 0.00 0.00 0.00 175.76 176.15 2k8m n LEU 32 N 3.14 1.50 -4.78 0.00 -0.00 -1.26 -5.01 117.00 110.59 2k8m n LEU 32 Ca -0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.56 2k8m n LEU 32 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.92 2k8m n LEU 32 CO 0.42 0.21 0.78 -0.62 -0.00 0.00 0.00 177.39 178.18 2k8m s ASP 33 N -4.07 6.30 -0.84 1.96 2.15 -1.26 -4.92 116.67 115.98 2k8m s ASP 33 Ca 0.00 2.17 -0.25 0.00 0.43 0.00 0.00 52.55 54.91 2k8m s ASP 33 Cb 0.00 -2.59 -0.02 0.00 -0.30 0.00 0.00 42.92 40.01 2k8m s ASP 33 CO 0.00 -0.82 1.77 -0.32 -0.17 0.00 0.00 175.17 175.63 2k8m s MET 34 N -2.77 2.83 0.00 4.34 -2.45 -1.26 -2.57 119.30 117.43 2k8m s MET 34 Ca 0.63 -0.24 0.00 0.00 -1.25 0.00 0.00 55.69 54.83 2k8m s MET 34 Cb -0.25 -4.89 0.00 0.00 1.25 0.00 0.00 34.83 30.94 2k8m s MET 34 CO 0.30 -2.89 0.00 0.41 1.05 0.00 0.00 175.02 173.89 2k8m n GLY 35 N 6.46 0.07 0.00 2.11 0.00 -1.26 -4.94 105.19 107.63 2k8m n GLY 35 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 1.79 3.30 -0.02 0.00 -1.06 -5.03 105.19 104.17 2k8m n GLY 36 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.02 4.70 1.01 2.61 -4.23 -1.26 -4.64 115.64 111.80 2k8m s THR 37 Ca 0.00 -1.42 -0.17 0.00 -1.18 0.00 0.00 61.69 58.92 2k8m s THR 37 Cb 0.00 -3.94 0.23 0.00 1.34 0.00 0.00 72.50 70.13 2k8m s THR 37 CO 0.00 -0.67 1.33 -1.20 -0.54 0.00 0.00 174.62 173.54 2k8m n SER 38 N 5.06 -0.03 -3.45 3.99 7.64 -1.26 -4.25 113.62 121.32 2k8m n SER 38 Ca -0.11 -1.47 -0.28 0.00 1.01 0.00 0.00 58.87 58.02 2k8m n SER 38 Cb 0.42 -1.03 -0.08 0.00 -1.01 0.00 0.00 64.21 62.51 2k8m n SER 38 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k8m n ASP 39 N -3.93 3.92 -4.77 6.43 9.92 -1.26 -1.49 116.55 125.37 2k8m n ASP 39 Ca 0.17 -3.45 -0.38 0.00 -0.53 0.00 0.00 54.79 50.60 2k8m n ASP 39 Cb 0.58 -0.70 -0.06 0.00 -0.64 0.00 0.00 41.12 40.31 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 -2.51 4.20 0.14 -0.24 0.04 -1.22 -0.08 135.00 135.32 2k8m s PRO 40 Ca 0.40 0.48 0.05 0.00 0.04 0.00 0.00 61.00 61.97 2k8m s PRO 40 Cb 0.15 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 2k8m s PRO 40 CO -0.00 0.39 -0.11 1.52 0.04 0.00 0.00 177.00 178.83 2k8m s TYR 41 N -0.14 1.30 -0.35 0.56 -0.85 0.53 -3.91 117.35 114.49 2k8m s TYR 41 Ca 0.26 -0.68 -0.13 0.00 -0.52 0.00 0.00 57.07 56.00 2k8m s TYR 41 Cb -0.16 -0.67 -0.01 0.00 0.38 0.00 0.00 41.96 41.50 2k8m s TYR 41 CO 0.12 0.11 0.26 0.14 -1.52 0.00 0.00 175.55 174.66 2k8m s VAL 42 N -2.87 5.27 -0.22 -3.49 -7.23 -1.26 -0.20 120.40 110.41 2k8m s VAL 42 Ca 0.13 -0.26 -0.06 0.00 -1.81 0.00 0.00 61.98 59.99 2k8m s VAL 42 Cb -0.00 -3.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.15 2k8m s VAL 42 CO 0.02 -0.06 0.02 -1.59 -0.31 0.00 0.00 175.10 173.18 2k8m s LYS 43 N 1.74 3.62 0.18 4.82 -2.85 0.62 -3.74 119.74 124.14 2k8m s LYS 43 Ca 0.06 -0.51 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 2k8m s LYS 43 Cb -0.18 -3.17 -0.08 0.00 -2.06 0.00 0.00 37.83 32.35 2k8m s LYS 43 CO 0.11 -0.07 1.07 0.14 0.10 0.00 0.00 175.35 176.70 2k8m s VAL 44 N 1.24 3.93 0.05 1.79 -7.23 -1.16 -1.89 120.40 117.12 2k8m s VAL 44 Ca 0.04 1.69 0.06 0.00 -1.81 0.00 0.00 61.98 61.95 2k8m s VAL 44 Cb -0.15 -4.08 -0.02 0.00 0.56 0.00 0.00 36.38 32.69 2k8m s VAL 44 CO 0.02 0.30 -0.16 -0.36 -0.31 0.00 0.00 175.10 174.59 2k8m s PHE 45 N -0.34 1.40 0.31 2.82 0.08 -0.18 -4.06 117.98 118.01 2k8m s PHE 45 Ca 0.48 -0.37 0.09 0.00 0.12 0.00 0.00 56.93 57.25 2k8m s PHE 45 Cb -0.29 -0.82 -0.05 0.00 -0.57 0.00 0.00 43.02 41.29 2k8m s PHE 45 CO 0.35 0.06 0.03 -0.51 -0.10 0.00 0.00 175.22 175.04 2k8m s LEU 46 N -1.25 3.09 0.00 -0.37 2.01 -1.26 -1.46 118.68 119.45 2k8m s LEU 46 Ca 0.03 -0.83 0.00 0.00 0.01 0.00 0.00 54.13 53.34 2k8m s LEU 46 Cb -0.08 -1.54 0.00 0.00 0.01 0.00 0.00 46.19 44.57 2k8m s LEU 46 CO 0.02 -0.16 0.00 0.00 1.01 0.00 0.00 176.35 177.21 2k8m n LEU 47 N -0.96 0.00 -0.45 1.79 -0.00 -1.23 -4.58 117.00 111.57 2k8m n LEU 47 Ca -0.05 0.00 0.38 0.00 -0.00 0.00 0.00 56.01 56.34 2k8m n LEU 47 Cb 0.61 0.00 0.58 0.00 -0.00 0.00 0.00 43.42 44.61 2k8m n LEU 47 CO 0.42 -0.39 1.20 -2.65 -0.00 0.00 0.00 177.39 175.97 2k8m n PRO 48 N -0.55 0.00 -0.06 1.47 -0.02 -1.26 -1.29 135.00 133.30 2k8m n PRO 48 Ca 0.00 0.91 -0.15 0.00 -2.02 0.00 0.00 63.50 62.24 2k8m n PRO 48 Cb 0.00 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.22 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 -1.78 -3.03 2.55 3.58 -1.93 -3.45 116.42 112.36 2k8m h ASP 49 Ca 0.67 0.22 -0.18 0.00 0.42 0.00 0.00 57.03 58.15 2k8m h ASP 49 Cb 2.98 0.71 -0.04 0.00 1.72 0.00 0.00 39.33 44.71 2k8m h ASP 49 CO -0.01 -0.45 -0.21 0.29 -2.88 0.00 0.00 179.24 175.98 2k8m n LYS 50 N -5.41 -1.90 -0.32 0.28 4.76 -0.41 -4.79 118.16 110.37 2k8m n LYS 50 Ca -0.05 0.49 0.09 0.00 -2.87 0.00 0.00 58.31 55.97 2k8m n LYS 50 Cb 0.36 -4.89 0.27 0.00 -1.84 0.00 0.00 35.03 28.93 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 -2.25 2.46 -3.65 1.97 5.02 -1.26 -4.85 118.16 115.60 2k8m n LYS 51 Ca -0.10 -2.16 -0.10 0.00 -2.02 0.00 0.00 58.31 53.94 2k8m n LYS 51 Cb 0.46 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.27 0.68 -0.28 1.97 -2.85 -1.26 -5.02 119.74 111.70 2k8m s LYS 52 Ca 0.40 1.07 -0.17 0.00 -1.00 0.00 0.00 55.97 56.28 2k8m s LYS 52 Cb 0.21 0.19 0.12 0.00 -2.06 0.00 0.00 37.83 36.28 2k8m s LYS 52 CO 0.26 -0.13 0.85 0.21 0.10 0.00 0.00 175.35 176.64 2k8m s LYS 53 N 1.22 0.53 0.01 1.78 2.20 -1.26 -4.33 119.74 119.89 2k8m s LYS 53 Ca -0.07 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.46 2k8m s LYS 53 Cb -0.05 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.37 2k8m s LYS 53 CO -0.13 -0.11 -0.04 0.12 -0.36 0.00 0.00 175.35 174.83 2k8m s PHE 54 N 1.41 0.37 -0.22 4.03 5.36 -1.26 -5.04 117.98 122.63 2k8m s PHE 54 Ca -0.09 -0.16 -0.08 0.00 -0.96 0.00 0.00 56.93 55.64 2k8m s PHE 54 Cb -0.04 -0.24 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 2k8m s PHE 54 CO -0.16 -0.03 0.09 -2.00 -1.46 0.00 0.00 175.22 171.66 2k8m s GLU 55 N -0.42 3.92 0.41 10.12 2.56 -1.26 -2.96 118.70 131.07 2k8m s GLU 55 Ca -0.02 -0.36 -0.06 0.00 0.00 0.00 0.00 54.97 54.54 2k8m s GLU 55 Cb -0.03 -3.34 0.09 0.00 2.00 0.00 0.00 34.13 32.85 2k8m s GLU 55 CO -0.00 0.09 0.56 0.25 -0.56 0.00 0.00 175.26 175.60 2k8m n THR 56 N 4.12 0.00 -2.55 -1.70 -2.24 -1.25 -5.02 114.28 105.64 2k8m n THR 56 Ca -0.16 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 2k8m n THR 56 Cb 0.52 -1.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.10 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 -4.13 4.54 -0.39 -0.78 2.36 -1.26 -4.94 119.74 115.14 2k8m s LYS 57 Ca 0.33 1.64 -0.28 0.00 -2.55 0.00 0.00 55.97 55.11 2k8m s LYS 57 Cb -0.01 -3.35 -0.01 0.00 -1.05 0.00 0.00 37.83 33.41 2k8m s LYS 57 CO 0.23 -0.06 1.63 0.54 1.55 0.00 0.00 175.35 179.24 2k8m s VAL 58 N 0.55 3.65 -1.12 4.02 0.11 -1.26 -4.75 120.40 121.60 2k8m s VAL 58 Ca 0.53 0.64 -0.18 0.00 -2.93 0.00 0.00 61.98 60.05 2k8m s VAL 58 Cb -0.27 -3.92 0.12 0.00 -1.53 0.00 0.00 36.38 30.78 2k8m s VAL 58 CO 0.31 -0.61 1.42 -1.00 -3.33 0.00 0.00 175.10 171.88 2k8m s HIS 59 N 6.41 3.06 0.26 1.54 0.09 -1.25 -4.99 115.29 120.41 2k8m s HIS 59 Ca 0.71 -1.58 -0.29 0.00 -0.00 0.00 0.00 55.06 53.89 2k8m s HIS 59 Cb -0.18 -4.47 -0.09 0.00 -0.00 0.00 0.00 32.58 27.84 2k8m s HIS 59 CO 0.32 -1.61 1.19 -0.98 -0.00 0.00 0.00 174.74 173.66 2k8m s ARG 60 N 3.08 4.51 -0.84 1.40 1.04 -1.26 -3.45 118.95 123.43 2k8m s ARG 60 Ca 0.43 1.94 -0.03 0.00 -1.04 0.00 0.00 55.73 57.03 2k8m s ARG 60 Cb -0.01 -3.17 -0.01 0.00 -2.04 0.00 0.00 34.95 29.71 2k8m s ARG 60 CO -0.03 0.00 0.72 1.63 -0.04 0.00 0.00 175.30 177.58 2k8m n LYS 61 N 1.55 -1.46 -3.63 3.89 4.76 -0.69 -4.95 118.16 117.62 2k8m n LYS 61 Ca 0.01 1.14 -0.10 0.00 -2.87 0.00 0.00 58.31 56.49 2k8m n LYS 61 Cb 0.44 -4.85 -0.07 0.00 -1.84 0.00 0.00 35.03 28.71 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 -3.10 0.00 -0.72 -0.18 -1.32 -0.56 -4.91 115.64 104.86 2k8m s THR 62 Ca 0.11 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.75 2k8m s THR 62 Cb -0.03 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 69.78 2k8m s THR 62 CO 0.79 0.00 0.67 0.18 -2.21 0.00 0.00 174.62 174.05 2k8m n LEU 63 N 2.25 0.72 -3.71 9.08 4.77 -1.26 -4.31 117.00 124.53 2k8m n LEU 63 Ca -0.13 -0.47 -0.29 0.00 -0.03 0.00 0.00 56.01 55.10 2k8m n LEU 63 Cb 0.56 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.52 2k8m n LEU 63 CO 0.03 0.18 -0.21 0.21 -1.33 0.00 0.00 177.39 176.27 2k8m s ASN 64 N -2.60 3.54 -0.10 -1.43 2.47 -1.26 -2.25 114.94 113.30 2k8m s ASN 64 Ca 0.05 -3.03 -0.30 0.00 0.42 0.00 0.00 52.86 50.00 2k8m s ASN 64 Cb 0.12 -1.09 -0.03 0.00 -1.45 0.00 0.00 41.25 38.80 2k8m s ASN 64 CO 0.66 -0.20 1.22 -2.16 -3.72 0.00 0.00 177.10 172.90 2k8m s PRO 65 N -0.18 4.31 -0.16 0.43 0.04 -1.26 -4.91 135.00 133.28 2k8m s PRO 65 Ca 0.22 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2k8m s PRO 65 Cb -0.14 -3.63 0.03 0.00 0.04 0.00 0.00 34.50 30.80 2k8m s PRO 65 CO -0.08 -0.54 -0.13 0.14 0.04 0.00 0.00 177.00 176.44 2k8m s VAL 66 N 2.66 1.56 0.00 -0.36 -7.23 -1.26 -3.27 120.40 112.49 2k8m s VAL 66 Ca 0.55 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2k8m s VAL 66 Cb -0.23 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.20 2k8m s VAL 66 CO 0.19 0.39 0.00 0.33 -0.31 0.00 0.00 175.10 175.70 2k8m n PHE 67 N 4.76 0.00 -2.72 2.82 -0.00 -1.25 -5.07 117.46 116.00 2k8m n PHE 67 Ca -0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.18 2k8m n PHE 67 Cb 0.49 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 40.02 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k8m n ASN 68 N -1.23 -5.05 -4.74 -2.13 5.15 -1.24 -5.01 115.26 101.02 2k8m n ASN 68 Ca 0.00 -0.48 -0.30 0.00 -0.60 0.00 0.00 54.58 53.19 2k8m n ASN 68 Cb 0.00 -3.74 0.12 0.00 -0.53 0.00 0.00 39.78 35.63 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 -4.00 1.61 -0.09 1.20 8.01 -1.25 -4.82 118.70 119.35 2k8m s GLU 69 Ca 0.30 0.94 0.03 0.00 0.01 0.00 0.00 54.97 56.25 2k8m s GLU 69 Cb -0.04 -1.84 0.01 0.00 -4.31 0.00 0.00 34.13 27.95 2k8m s GLU 69 CO 0.51 -2.03 -0.19 -1.14 0.01 0.00 0.00 175.26 172.42 2k8m s GLN 70 N -4.93 2.48 -0.12 1.61 -0.44 -1.26 -3.39 119.66 113.62 2k8m s GLN 70 Ca 0.63 -0.68 0.03 0.00 -2.50 0.00 0.00 55.36 52.84 2k8m s GLN 70 Cb -0.18 -1.95 0.00 0.00 -1.64 0.00 0.00 33.01 29.25 2k8m s GLN 70 CO 0.57 0.09 -0.23 0.12 0.50 0.00 0.00 175.29 176.33 2k8m s PHE 71 N 0.56 2.60 -0.72 1.67 5.36 -0.60 -5.03 117.98 121.83 2k8m s PHE 71 Ca -0.15 -1.16 -0.21 0.00 -0.96 0.00 0.00 56.93 54.45 2k8m s PHE 71 Cb -0.17 -1.75 0.09 0.00 -0.34 0.00 0.00 43.02 40.86 2k8m s PHE 71 CO 0.05 -0.49 0.97 0.99 -1.46 0.00 0.00 175.22 175.28 2k8m s THR 72 N 0.52 4.51 -1.26 0.12 2.01 -1.26 -1.95 115.64 118.34 2k8m s THR 72 Ca -0.15 -0.80 -0.19 0.00 0.31 0.00 0.00 61.69 60.87 2k8m s THR 72 Cb -0.17 -4.68 0.06 0.00 0.01 0.00 0.00 72.50 67.72 2k8m s THR 72 CO 0.05 -1.42 1.71 0.12 -0.69 0.00 0.00 174.62 174.39 2k8m s PHE 73 N 3.46 2.70 -0.57 4.92 5.36 -0.77 -4.88 117.98 128.20 2k8m s PHE 73 Ca 0.23 -1.41 -0.17 0.00 -0.96 0.00 0.00 56.93 54.62 2k8m s PHE 73 Cb -0.15 -4.71 -0.15 0.00 -0.34 0.00 0.00 43.02 37.67 2k8m s PHE 73 CO 0.04 -1.80 1.80 1.63 -1.46 0.00 0.00 175.22 175.43 2k8m n LYS 74 N 8.46 1.19 -4.43 10.12 4.76 -1.26 -1.10 118.16 135.90 2k8m n LYS 74 Ca 0.47 -1.43 -0.26 0.00 -2.87 0.00 0.00 58.31 54.22 2k8m n LYS 74 Cb 0.47 -2.61 -0.17 0.00 -1.84 0.00 0.00 35.03 30.88 2k8m n LYS 74 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k8m s VAL 75 N 4.96 1.21 0.28 -0.18 1.01 -1.25 -4.98 120.40 121.45 2k8m s VAL 75 Ca 0.48 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2k8m s VAL 75 Cb 0.12 -1.13 -0.14 0.00 0.00 0.00 0.00 36.38 35.24 2k8m s VAL 75 CO 0.11 0.38 1.20 -2.65 0.00 0.00 0.00 175.10 174.14 2k8m n PRO 76 N 4.12 1.72 0.04 2.72 -0.02 -1.26 -4.07 135.00 138.26 2k8m n PRO 76 Ca -0.20 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 61.94 2k8m n PRO 76 Cb 0.51 -2.12 0.23 0.00 -0.02 0.00 0.00 33.50 32.10 2k8m n PRO 76 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2k8m n TYR 77 N 0.75 0.22 0.93 6.00 0.18 -1.26 -0.24 117.16 123.74 2k8m n TYR 77 Ca 0.09 0.10 0.11 0.00 1.88 0.00 0.00 57.90 60.08 2k8m n TYR 77 Cb 0.32 -0.66 0.09 0.00 -0.38 0.00 0.00 39.34 38.71 2k8m n TYR 77 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 2k8m n SER 78 N -1.71 2.82 -0.11 9.48 7.64 -1.26 -4.23 113.62 126.24 2k8m n SER 78 Ca 0.01 -1.91 0.05 0.00 1.01 0.00 0.00 58.87 58.03 2k8m n SER 78 Cb 0.07 0.03 0.07 0.00 -1.01 0.00 0.00 64.21 63.36 2k8m n SER 78 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2k8m n GLU 79 N 1.19 1.42 0.03 1.43 2.13 0.66 -4.68 120.64 122.83 2k8m n GLU 79 Ca 0.13 -1.84 0.13 0.00 0.66 0.00 0.00 57.16 56.24 2k8m n GLU 79 Cb 0.55 -1.11 0.51 0.00 0.27 0.00 0.00 31.44 31.66 2k8m n GLU 79 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2k8m n LEU 80 N -0.82 0.30 0.15 4.31 -0.00 -0.98 -3.88 117.00 116.07 2k8m n LEU 80 Ca 0.08 0.46 -0.14 0.00 -0.00 0.00 0.00 56.01 56.41 2k8m n LEU 80 Cb 0.53 -0.41 -0.08 0.00 -0.00 0.00 0.00 43.42 43.46 2k8m n LEU 80 CO 0.00 -0.04 0.75 1.23 -0.00 0.00 0.00 177.39 179.34 2k8m h GLY 81 N 4.85 -0.32 -4.22 1.47 0.00 -1.85 -2.92 103.07 100.08 2k8m h GLY 81 Ca 0.00 0.12 -0.65 0.00 0.00 0.00 0.00 47.33 46.80 2k8m h GLY 81 CO 0.00 -0.12 0.84 0.61 0.00 0.00 0.00 176.54 177.87 2k8m n GLY 82 N -1.02 5.49 2.53 4.60 0.00 -1.25 -4.00 105.19 111.53 2k8m n GLY 82 Ca -0.09 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 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 -3.52 0.56 -0.33 1.61 2.47 -1.10 -4.97 119.74 114.46 2k8m s LYS 83 Ca 0.57 -1.19 -0.17 0.00 -1.56 0.00 0.00 55.97 53.62 2k8m s LYS 83 Cb 0.45 -1.45 -0.01 0.00 -1.46 0.00 0.00 37.83 35.36 2k8m s LYS 83 CO -0.12 -1.14 0.46 0.99 0.16 0.00 0.00 175.35 175.70 2k8m s THR 84 N 1.28 5.08 0.07 3.43 2.01 -1.26 -4.26 115.64 121.98 2k8m s THR 84 Ca 0.15 0.37 -0.10 0.00 0.31 0.00 0.00 61.69 62.42 2k8m s THR 84 Cb -0.21 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.36 2k8m s THR 84 CO -0.11 -0.10 0.40 -1.48 -0.69 0.00 0.00 174.62 172.64 2k8m s LEU 85 N 2.26 4.36 0.07 4.42 0.05 -1.25 -3.49 118.68 125.10 2k8m s LEU 85 Ca 0.17 0.80 0.05 0.00 0.05 0.00 0.00 54.13 55.20 2k8m s LEU 85 Cb -0.16 -2.92 -0.03 0.00 -2.05 0.00 0.00 46.19 41.04 2k8m s LEU 85 CO 0.12 0.20 -0.14 0.68 -0.55 0.00 0.00 176.35 176.66 2k8m s VAL 86 N -1.35 1.09 -0.21 1.48 -7.23 -0.53 -2.79 120.40 110.86 2k8m s VAL 86 Ca 0.32 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2k8m s VAL 86 Cb -0.14 -1.05 0.04 0.00 0.56 0.00 0.00 36.38 35.80 2k8m s VAL 86 CO 0.17 -0.22 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.32 2k8m s MET 87 N -1.70 2.08 -0.08 4.82 0.00 0.36 -1.01 119.30 123.76 2k8m s MET 87 Ca -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 55.69 54.77 2k8m s MET 87 Cb -0.10 -2.49 -0.03 0.00 0.00 0.00 0.00 34.83 32.22 2k8m s MET 87 CO 0.02 -0.44 -0.09 0.00 0.00 0.00 0.00 175.02 174.51 2k8m s ALA 88 N 1.36 2.87 -0.25 4.11 0.00 -0.79 -1.43 121.76 127.62 2k8m s ALA 88 Ca -0.02 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 2k8m s ALA 88 Cb -0.17 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 2k8m s ALA 88 CO -0.08 0.49 0.36 0.54 0.00 0.00 0.00 175.76 177.08 2k8m s VAL 89 N -0.54 5.19 -0.07 0.00 0.11 -0.45 -0.28 120.40 124.37 2k8m s VAL 89 Ca 0.08 0.57 0.01 0.00 -2.93 0.00 0.00 61.98 59.71 2k8m s VAL 89 Cb -0.12 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 31.01 2k8m s VAL 89 CO 0.02 0.19 -0.08 -0.47 -3.33 0.00 0.00 175.10 171.43 2k8m s TYR 90 N 1.84 2.90 0.31 1.54 5.04 0.72 -3.04 117.35 126.67 2k8m s TYR 90 Ca 0.15 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.68 2k8m s TYR 90 Cb -0.15 -1.72 -0.05 0.00 0.35 0.00 0.00 41.96 40.39 2k8m s TYR 90 CO 0.09 0.25 0.58 0.34 -1.34 0.00 0.00 175.55 175.47 2k8m s ASP 91 N -0.65 6.42 -0.36 4.32 2.15 -1.26 -0.35 116.67 126.93 2k8m s ASP 91 Ca 0.10 0.71 0.14 0.00 0.43 0.00 0.00 52.55 53.93 2k8m s ASP 91 Cb -0.11 -2.14 0.40 0.00 -0.30 0.00 0.00 42.92 40.76 2k8m s ASP 91 CO 0.02 -0.24 0.86 0.33 -0.17 0.00 0.00 175.17 175.96 2k8m n PHE 92 N -1.15 1.01 0.08 -5.34 7.35 0.89 -4.78 117.46 115.51 2k8m n PHE 92 Ca -0.02 -3.33 0.05 0.00 -0.76 0.00 0.00 57.45 53.39 2k8m n PHE 92 Cb 0.54 -0.39 0.27 0.00 0.35 0.00 0.00 39.48 40.25 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 0.06 0.25 -1.64 -2.13 5.75 -1.26 -4.68 116.55 112.91 2k8m n ASP 93 Ca 0.19 0.62 -0.16 0.00 -0.01 0.00 0.00 54.79 55.43 2k8m n ASP 93 Cb 0.72 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 40.13 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 -1.84 -1.21 0.05 0.11 3.00 -1.26 -4.73 116.66 110.78 2k8m n ARG 94 Ca -0.01 0.84 0.00 0.00 -0.01 0.00 0.00 57.85 58.67 2k8m n ARG 94 Cb 0.02 -5.16 0.00 0.00 0.00 0.00 0.00 32.46 27.32 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 -3.63 -2.15 -1.25 -1.55 7.35 -1.26 -5.13 117.46 109.84 2k8m n PHE 95 Ca -0.18 0.29 -0.31 0.00 -0.76 0.00 0.00 57.45 56.49 2k8m n PHE 95 Cb 0.61 1.05 0.10 0.00 0.35 0.00 0.00 39.48 41.58 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 -2.33 4.38 -1.44 -2.13 0.01 -1.26 -4.87 113.70 106.06 2k8m s SER 96 Ca 0.00 1.78 -0.13 0.00 1.31 0.00 0.00 55.95 58.92 2k8m s SER 96 Cb 0.00 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.73 2k8m s SER 96 CO 0.00 -2.11 2.46 0.29 0.41 0.00 0.00 173.24 174.30 2k8m n LYS 97 N -3.57 3.02 -1.64 12.44 4.76 -1.26 -4.85 118.16 127.06 2k8m n LYS 97 Ca 0.09 -2.34 -0.45 0.00 -2.87 0.00 0.00 58.31 52.73 2k8m n LYS 97 Cb 0.53 -3.05 -0.02 0.00 -1.84 0.00 0.00 35.03 30.66 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 5.20 1.80 -4.45 2.13 1.44 -1.26 -5.02 115.22 115.07 2k8m n HIS 98 Ca 0.61 0.57 -0.22 0.00 -2.01 0.00 0.00 57.72 56.67 2k8m n HIS 98 Cb 0.32 -2.36 -0.09 0.00 0.12 0.00 0.00 29.99 27.97 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2k8m s ASP 99 N -0.12 2.29 -0.15 4.39 2.15 -1.26 -4.88 116.67 119.09 2k8m s ASP 99 Ca 0.64 -1.51 -0.29 0.00 0.43 0.00 0.00 52.55 51.82 2k8m s ASP 99 Cb -0.68 0.22 -0.05 0.00 -0.30 0.00 0.00 42.92 42.11 2k8m s ASP 99 CO 0.56 -0.78 1.93 -0.63 -0.17 0.00 0.00 175.17 176.08 2k8m s ILE 100 N -3.36 3.26 -0.15 4.11 1.01 -1.26 -4.23 121.20 120.58 2k8m s ILE 100 Ca 0.32 0.29 0.15 0.00 0.00 0.00 0.00 60.65 61.41 2k8m s ILE 100 Cb 0.06 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.30 2k8m s ILE 100 CO 0.15 -0.12 1.37 0.16 0.00 0.00 0.00 174.94 176.50 2k8m h ILE 101 N 6.37 0.82 -1.64 2.92 -2.65 -1.83 -3.39 117.51 118.12 2k8m h ILE 101 Ca -0.41 -2.19 0.30 0.00 1.03 0.00 0.00 64.86 63.59 2k8m h ILE 101 Cb 1.21 2.38 -0.11 0.00 -2.05 0.00 0.00 36.82 38.24 2k8m h ILE 101 CO 0.97 0.47 0.76 -0.83 0.03 0.00 0.00 178.15 179.54 2k8m s GLY 102 N -4.50 -0.38 0.21 0.16 0.00 -1.26 -3.87 107.32 97.69 2k8m s GLY 102 Ca 0.03 0.57 -0.21 0.00 0.00 0.00 0.00 44.72 45.11 2k8m s GLY 102 CO 0.75 0.11 1.02 -1.83 0.00 0.00 0.00 173.10 173.15 2k8m s GLU 103 N -2.61 1.42 0.00 2.90 -1.05 0.74 -1.33 118.70 118.77 2k8m s GLU 103 Ca 0.14 -0.92 -0.19 0.00 -0.15 0.00 0.00 54.97 53.85 2k8m s GLU 103 Cb 0.04 0.39 0.04 0.00 -0.44 0.00 0.00 34.13 34.16 2k8m s GLU 103 CO -0.03 -0.67 0.42 -0.59 0.95 0.00 0.00 175.26 175.35 2k8m s PHE 104 N -2.12 -0.30 0.04 4.83 -0.12 -0.51 -1.72 117.98 118.07 2k8m s PHE 104 Ca 0.22 0.40 -0.01 0.00 -0.05 0.00 0.00 56.93 57.49 2k8m s PHE 104 Cb -0.03 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 2k8m s PHE 104 CO 0.06 -0.50 -0.03 -1.59 -0.05 0.00 0.00 175.22 173.11 2k8m s LYS 105 N -1.77 0.55 -0.07 1.99 0.00 -1.26 -0.49 119.74 118.68 2k8m s LYS 105 Ca -0.10 -1.08 -0.03 0.00 0.00 0.00 0.00 55.97 54.76 2k8m s LYS 105 Cb -0.02 0.18 0.04 0.00 0.00 0.00 0.00 37.83 38.02 2k8m s LYS 105 CO 0.03 -0.09 0.16 0.54 0.00 0.00 0.00 175.35 175.98 2k8m s VAL 106 N -3.34 -0.11 -0.46 1.79 0.11 -1.12 -5.04 120.40 112.23 2k8m s VAL 106 Ca 0.02 0.22 -0.29 0.00 -2.93 0.00 0.00 61.98 59.01 2k8m s VAL 106 Cb 0.04 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.64 2k8m s VAL 106 CO -0.08 0.09 1.33 -2.16 -3.33 0.00 0.00 175.10 170.95 2k8m s PRO 107 N 1.49 3.57 0.38 1.54 0.04 -1.26 -3.85 135.00 136.90 2k8m s PRO 107 Ca -0.06 0.73 0.28 0.00 0.04 0.00 0.00 61.00 61.98 2k8m s PRO 107 Cb -0.12 -4.01 1.24 0.00 0.04 0.00 0.00 34.50 31.65 2k8m s PRO 107 CO -0.06 -1.58 1.83 0.52 0.04 0.00 0.00 177.00 177.74 2k8m h MET 108 N 10.32 0.00 -0.13 4.56 2.86 -1.77 -1.62 114.93 129.16 2k8m h MET 108 Ca -0.26 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.22 2k8m h MET 108 Cb 1.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2k8m h MET 108 CO 1.12 0.00 -0.59 -0.97 1.06 0.00 0.00 176.91 177.53 2k8m h ASN 109 N 0.00 0.46 0.15 1.22 -1.24 -1.69 -3.26 115.58 111.22 2k8m h ASN 109 Ca 0.00 -0.26 -0.28 0.00 0.71 0.00 0.00 56.30 56.47 2k8m h ASN 109 Cb 0.31 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 39.24 2k8m h ASN 109 CO 0.00 0.95 -1.36 0.74 -1.29 0.00 0.00 177.43 176.47 2k8m h THR 110 N 0.31 1.14 -2.42 -3.57 2.02 -1.76 -3.41 112.91 105.22 2k8m h THR 110 Ca -0.00 -2.48 -0.69 0.00 0.77 0.00 0.00 66.41 64.01 2k8m h THR 110 Cb 1.12 2.86 -0.17 0.00 -1.74 0.00 0.00 68.15 70.21 2k8m h THR 110 CO 0.10 0.75 0.80 -0.69 0.37 0.00 0.00 175.52 176.85 2k8m s VAL 111 N -2.50 4.69 0.79 3.16 1.01 -0.67 -5.02 120.40 121.88 2k8m s VAL 111 Ca -0.17 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 60.23 2k8m s VAL 111 Cb 0.04 -4.77 0.07 0.00 0.00 0.00 0.00 36.38 31.72 2k8m s VAL 111 CO 0.81 -1.50 1.11 1.51 0.00 0.00 0.00 175.10 177.04 2k8m s ASP 112 N 3.65 4.17 -1.10 3.32 -4.77 -1.26 -4.66 116.67 116.01 2k8m s ASP 112 Ca 0.32 1.95 -0.13 0.00 -3.30 0.00 0.00 52.55 51.38 2k8m s ASP 112 Cb -0.06 -2.54 0.19 0.00 -1.09 0.00 0.00 42.92 39.43 2k8m s ASP 112 CO -0.08 -2.26 1.24 0.72 0.70 0.00 0.00 175.17 175.49 2k8m s PHE 113 N -2.76 3.65 -0.06 2.11 -0.71 -1.26 -4.83 117.98 114.12 2k8m s PHE 113 Ca 0.63 -2.13 -0.06 0.00 -1.04 0.00 0.00 56.93 54.33 2k8m s PHE 113 Cb -0.19 -4.15 -0.04 0.00 -1.21 0.00 0.00 43.02 37.43 2k8m s PHE 113 CO 0.55 -1.27 0.29 0.78 -1.34 0.00 0.00 175.22 174.23 2k8m h GLY 114 N 8.92 -0.24 0.00 1.99 0.00 -1.99 -3.48 103.07 108.26 2k8m h GLY 114 Ca 0.24 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2k8m h GLY 114 CO 1.12 -0.09 0.00 1.42 0.00 0.00 0.00 176.54 178.99 2k8m n HIS 115 N -4.57 -2.20 -3.79 5.60 8.25 -1.26 -5.11 115.22 112.13 2k8m n HIS 115 Ca -0.03 0.44 -0.13 0.00 -0.26 0.00 0.00 57.72 57.74 2k8m n HIS 115 Cb 0.09 1.24 -0.12 0.00 1.12 0.00 0.00 29.99 32.32 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 -1.42 -0.00 -0.44 1.59 -7.23 -1.26 -4.27 120.40 107.35 2k8m s VAL 116 Ca 0.00 0.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.19 2k8m s VAL 116 Cb 0.00 -0.31 0.12 0.00 0.56 0.00 0.00 36.38 36.75 2k8m s VAL 116 CO 0.00 0.01 0.21 -0.89 -0.31 0.00 0.00 175.10 174.12 2k8m s THR 117 N 0.23 2.98 -0.17 5.32 2.01 0.11 -4.98 115.64 121.14 2k8m s THR 117 Ca -0.01 -2.48 -0.03 0.00 0.31 0.00 0.00 61.69 59.48 2k8m s THR 117 Cb -0.02 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 2k8m s THR 117 CO -0.01 -0.72 -0.06 -1.61 -0.69 0.00 0.00 174.62 171.54 2k8m s GLU 118 N 0.65 3.52 0.22 4.92 2.02 -1.26 -0.55 118.70 128.22 2k8m s GLU 118 Ca 0.12 -0.59 -0.22 0.00 0.02 0.00 0.00 54.97 54.30 2k8m s GLU 118 Cb -0.22 -2.87 0.04 0.00 0.10 0.00 0.00 34.13 31.18 2k8m s GLU 118 CO -0.05 0.12 0.66 -1.83 0.02 0.00 0.00 175.26 174.18 2k8m s GLU 119 N 0.67 1.55 -0.90 1.61 -1.05 -1.18 -5.05 118.70 114.34 2k8m s GLU 119 Ca -0.03 -0.76 -0.08 0.00 -0.15 0.00 0.00 54.97 53.94 2k8m s GLU 119 Cb -0.15 0.60 0.23 0.00 -0.44 0.00 0.00 34.13 34.37 2k8m s GLU 119 CO 0.02 -0.70 0.83 -1.58 0.95 0.00 0.00 175.26 174.79 2k8m s TRP 120 N -3.85 3.90 0.21 4.83 0.52 -1.26 -3.29 118.94 120.00 2k8m s TRP 120 Ca 0.07 -2.56 -0.30 0.00 0.02 0.00 0.00 56.10 53.33 2k8m s TRP 120 Cb -0.04 -3.60 -0.09 0.00 -1.15 0.00 0.00 33.47 28.59 2k8m s TRP 120 CO -0.02 -0.90 1.26 0.50 0.02 0.00 0.00 176.95 177.81 2k8m s ARG 121 N -0.67 4.43 0.26 4.98 6.06 -0.80 -4.81 118.95 128.40 2k8m s ARG 121 Ca 0.24 1.99 -0.29 0.00 -2.50 0.00 0.00 55.73 55.17 2k8m s ARG 121 Cb -0.11 -3.20 -0.09 0.00 0.06 0.00 0.00 34.95 31.61 2k8m s ARG 121 CO -0.09 -0.17 0.96 0.16 -2.50 0.00 0.00 175.30 173.66 2k8m s ASP 122 N 0.16 7.55 -0.13 -2.12 -4.77 -1.26 -0.37 116.67 115.73 2k8m s ASP 122 Ca 0.54 1.98 -0.17 0.00 -3.30 0.00 0.00 52.55 51.60 2k8m s ASP 122 Cb -0.35 -2.61 -0.04 0.00 -1.09 0.00 0.00 42.92 38.83 2k8m s ASP 122 CO 0.39 0.08 0.44 -0.76 0.70 0.00 0.00 175.17 176.03 2k8m s LEU 123 N -1.34 4.26 -0.01 2.11 1.43 0.22 -4.82 118.68 120.53 2k8m s LEU 123 Ca 0.43 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 2k8m s LEU 123 Cb -0.26 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 2k8m s LEU 123 CO 0.32 0.01 -0.03 -1.10 0.23 0.00 0.00 176.35 175.78 2k8m s GLN 124 N 0.65 2.71 -0.86 1.70 -0.21 -0.70 -3.80 119.66 119.15 2k8m s GLN 124 Ca 0.24 -0.64 -0.24 0.00 0.02 0.00 0.00 55.36 54.74 2k8m s GLN 124 Cb -0.15 -2.61 0.05 0.00 1.00 0.00 0.00 33.01 31.30 2k8m s GLN 124 CO 0.09 0.62 1.31 -1.12 -2.12 0.00 0.00 175.29 174.07 2k8m s SER 125 N -1.44 6.33 -0.87 5.90 0.01 -1.26 -0.18 113.70 122.19 2k8m s SER 125 Ca 0.18 -1.01 -0.12 0.00 1.31 0.00 0.00 55.95 56.30 2k8m s SER 125 Cb -0.11 -2.54 0.23 0.00 0.21 0.00 0.00 66.02 63.81 2k8m s SER 125 CO 0.08 -1.61 0.81 0.00 0.41 0.00 0.00 173.24 172.93 2k8m s ALA 126 N 5.05 4.18 0.03 1.44 0.00 -1.25 -4.92 121.76 126.30 2k8m s ALA 126 Ca 0.38 -3.43 -0.30 0.00 0.00 0.00 0.00 51.96 48.61 2k8m s ALA 126 Cb -0.05 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 2k8m s ALA 126 CO 0.03 -2.26 1.71 -1.21 0.00 0.00 0.00 175.76 174.03 2k8m s GLU 127 N -0.13 4.18 0.00 0.00 2.02 -1.26 -4.55 118.70 118.96 2k8m s GLU 127 Ca 0.20 2.35 0.16 0.00 0.02 0.00 0.00 54.97 57.71 2k8m s GLU 127 Cb -0.10 -3.79 0.13 0.00 0.10 0.00 0.00 34.13 30.46 2k8m s GLU 127 CO -0.09 -0.80 1.01 1.63 0.02 0.00 0.00 175.26 177.03