#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 -0.03 0.00 3.49 0.00 -1.26 -4.44 119.74 117.49 2k8m s LYS 2 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 55.97 56.21 2k8m s LYS 2 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 37.83 36.91 2k8m s LYS 2 CO 0.00 -0.43 0.38 -0.11 0.00 0.00 0.00 175.35 175.19 2k8m n LEU 3 N 5.29 0.63 0.00 2.77 7.94 0.31 -4.35 117.00 129.59 2k8m n LEU 3 Ca -0.04 -0.63 0.00 0.00 -1.11 0.00 0.00 56.01 54.23 2k8m n LEU 3 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2k8m n LEU 3 CO 0.07 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.12 2k8m n GLY 4 N -0.07 0.27 3.00 -3.96 0.00 -1.21 -4.12 105.19 99.10 2k8m n GLY 4 Ca 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 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 0.25 -0.08 1.61 1.02 -0.72 -0.28 119.74 121.53 2k8m s LYS 5 Ca 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 55.97 55.80 2k8m s LYS 5 Cb 0.00 0.10 -0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2k8m s LYS 5 CO 0.00 -0.05 -0.22 -1.17 -0.92 0.00 0.00 175.35 172.99 2k8m s LEU 6 N -0.76 2.01 -0.21 3.17 0.20 0.74 -1.06 118.68 122.77 2k8m s LEU 6 Ca -0.08 -0.50 -0.12 0.00 0.69 0.00 0.00 54.13 54.11 2k8m s LEU 6 Cb -0.05 -1.29 -0.05 0.00 -0.43 0.00 0.00 46.19 44.37 2k8m s LEU 6 CO 0.00 0.15 0.24 -1.10 -0.29 0.00 0.00 176.35 175.36 2k8m s GLN 7 N 0.28 4.14 0.12 1.98 -1.52 -0.29 -1.52 119.66 122.85 2k8m s GLN 7 Ca -0.15 -0.09 -0.14 0.00 -1.95 0.00 0.00 55.36 53.04 2k8m s GLN 7 Cb -0.17 -3.51 0.02 0.00 -0.22 0.00 0.00 33.01 29.14 2k8m s GLN 7 CO 0.07 0.08 0.36 1.52 -0.25 0.00 0.00 175.29 177.07 2k8m s TYR 8 N 0.98 -0.08 -0.19 0.91 1.13 -1.22 0.07 117.35 118.95 2k8m s TYR 8 Ca 0.12 -0.26 -0.04 0.00 -1.41 0.00 0.00 57.07 55.48 2k8m s TYR 8 Cb -0.13 0.18 0.06 0.00 -1.10 0.00 0.00 41.96 40.97 2k8m s TYR 8 CO 0.05 -0.68 0.07 -1.54 -2.51 0.00 0.00 175.55 170.93 2k8m s SER 9 N -2.83 2.67 -0.16 -0.18 1.04 -0.43 -3.03 113.70 110.78 2k8m s SER 9 Ca 0.05 -0.75 -0.15 0.00 0.48 0.00 0.00 55.95 55.58 2k8m s SER 9 Cb 0.02 -0.42 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 2k8m s SER 9 CO -0.10 -0.33 0.36 -0.76 0.98 0.00 0.00 173.24 173.38 2k8m s LEU 10 N 2.00 4.23 0.20 2.42 1.43 -0.15 -3.48 118.68 125.32 2k8m s LEU 10 Ca 0.01 0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 2k8m s LEU 10 Cb -0.17 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2k8m s LEU 10 CO -0.10 0.03 -0.15 1.51 0.23 0.00 0.00 176.35 177.88 2k8m s ASP 11 N 0.65 2.57 0.21 2.29 1.47 -1.04 0.36 116.67 123.19 2k8m s ASP 11 Ca 0.19 -0.99 0.09 0.00 1.18 0.00 0.00 52.55 53.03 2k8m s ASP 11 Cb -0.14 -0.14 -0.04 0.00 -0.34 0.00 0.00 42.92 42.26 2k8m s ASP 11 CO 0.06 -0.15 -0.07 -0.72 0.68 0.00 0.00 175.17 174.97 2k8m s TYR 12 N -2.79 2.63 -0.03 2.11 1.13 -1.26 -0.07 117.35 119.06 2k8m s TYR 12 Ca 0.21 -0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.62 2k8m s TYR 12 Cb -0.02 -1.24 0.02 0.00 -1.10 0.00 0.00 41.96 39.62 2k8m s TYR 12 CO 0.07 0.56 0.07 0.34 -2.51 0.00 0.00 175.55 174.08 2k8m s ASP 13 N -3.13 -0.05 -0.01 -0.18 -1.08 -0.36 -4.88 116.67 106.99 2k8m s ASP 13 Ca 0.27 0.15 0.17 0.00 -0.52 0.00 0.00 52.55 52.61 2k8m s ASP 13 Cb -0.08 0.10 -0.21 0.00 -1.46 0.00 0.00 42.92 41.27 2k8m s ASP 13 CO 0.17 -0.07 0.57 2.22 0.52 0.00 0.00 175.17 178.57 2k8m n PHE 14 N 3.56 0.00 0.08 -5.34 1.16 -1.26 -1.84 117.46 113.82 2k8m n PHE 14 Ca -0.19 0.00 -0.06 0.00 -1.87 0.00 0.00 57.45 55.33 2k8m n PHE 14 Cb 0.56 -0.15 0.11 0.00 -1.61 0.00 0.00 39.48 38.38 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 0.00 0.26 -0.01 3.97 3.07 -1.96 -3.18 115.11 117.26 2k8m h GLN 15 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 58.65 58.56 2k8m h GLN 15 Cb 0.54 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.13 2k8m h GLN 15 CO 0.00 0.80 -0.25 0.27 0.09 0.00 0.00 178.83 179.74 2k8m n ASN 16 N -3.86 1.11 -3.19 0.06 0.23 -1.26 -5.03 115.26 103.32 2k8m n ASN 16 Ca -0.03 -1.05 -0.10 0.00 -0.53 0.00 0.00 54.58 52.87 2k8m n ASN 16 Cb 0.63 0.55 0.04 0.00 -2.08 0.00 0.00 39.78 38.92 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 -0.40 -7.06 -3.82 0.53 2.85 -1.19 -4.93 115.26 101.24 2k8m n ASN 17 Ca 0.04 -0.48 -0.08 0.00 -0.11 0.00 0.00 54.58 53.95 2k8m n ASN 17 Cb 0.20 -5.21 -0.02 0.00 1.24 0.00 0.00 39.78 35.99 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 -3.90 1.68 -0.18 1.20 1.03 -0.76 -3.13 119.66 115.60 2k8m s GLN 18 Ca 0.29 -0.95 -0.03 0.00 0.04 0.00 0.00 55.36 54.70 2k8m s GLN 18 Cb -0.04 0.59 -0.02 0.00 0.03 0.00 0.00 33.01 33.57 2k8m s GLN 18 CO 0.75 -0.76 -0.06 -0.51 -2.54 0.00 0.00 175.29 172.17 2k8m s LEU 19 N -2.91 2.98 -0.74 2.60 1.43 -0.42 -1.22 118.68 120.39 2k8m s LEU 19 Ca 0.11 -0.28 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 2k8m s LEU 19 Cb -0.05 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.49 2k8m s LEU 19 CO 0.04 0.09 1.23 -0.22 0.23 0.00 0.00 176.35 177.72 2k8m s LEU 20 N 0.81 3.42 -0.61 1.79 1.98 0.90 -1.58 118.68 125.38 2k8m s LEU 20 Ca -0.02 -0.61 -0.24 0.00 -2.89 0.00 0.00 54.13 50.37 2k8m s LEU 20 Cb -0.15 -2.53 0.05 0.00 0.66 0.00 0.00 46.19 44.22 2k8m s LEU 20 CO 0.01 -1.74 0.97 -0.69 -1.89 0.00 0.00 176.35 173.01 2k8m s VAL 21 N 5.37 4.32 -0.19 1.68 1.01 -0.43 -2.48 120.40 129.67 2k8m s VAL 21 Ca 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 61.98 62.31 2k8m s VAL 21 Cb -0.09 -4.63 0.01 0.00 0.00 0.00 0.00 36.38 31.67 2k8m s VAL 21 CO 0.13 -1.32 -0.16 -0.83 0.00 0.00 0.00 175.10 172.92 2k8m s GLY 22 N 3.28 1.44 0.03 4.51 0.00 -1.23 -0.62 107.32 114.73 2k8m s GLY 22 Ca 0.27 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2k8m s GLY 22 CO 0.15 0.31 0.11 -0.26 0.00 0.00 0.00 173.10 173.41 2k8m s ILE 23 N 1.32 4.85 -0.14 0.90 -4.36 -1.14 -1.32 121.20 121.32 2k8m s ILE 23 Ca 0.05 -0.48 -0.10 0.00 -0.26 0.00 0.00 60.65 59.87 2k8m s ILE 23 Cb -0.13 -3.28 -0.03 0.00 1.25 0.00 0.00 42.46 40.26 2k8m s ILE 23 CO -0.10 0.25 -0.18 -0.38 0.24 0.00 0.00 174.94 174.77 2k8m n ILE 24 N 0.82 1.42 -3.72 8.37 5.41 0.11 -3.69 119.36 128.08 2k8m n ILE 24 Ca -0.10 0.22 -0.01 0.00 1.00 0.00 0.00 62.75 63.85 2k8m n ILE 24 Cb 0.52 -2.39 -0.01 0.00 -0.71 0.00 0.00 39.64 37.05 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 -2.27 0.88 -0.03 0.38 1.03 -1.17 -3.80 119.66 114.68 2k8m s GLN 25 Ca -0.15 -0.50 0.04 0.00 0.04 0.00 0.00 55.36 54.79 2k8m s GLN 25 Cb 0.02 0.29 -0.01 0.00 0.03 0.00 0.00 33.01 33.35 2k8m s GLN 25 CO 0.23 -0.40 -0.17 0.00 -2.54 0.00 0.00 175.29 172.41 2k8m s ALA 26 N -2.82 1.46 0.05 2.60 0.00 -1.20 -1.14 121.76 120.71 2k8m s ALA 26 Ca 0.14 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.48 2k8m s ALA 26 Cb 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 2k8m s ALA 26 CO 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 175.76 175.87 2k8m s ALA 27 N -0.08 1.56 -0.56 0.00 0.00 -0.22 -3.55 121.76 118.90 2k8m s ALA 27 Ca -0.01 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 2k8m s ALA 27 Cb -0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2k8m s ALA 27 CO 0.01 0.33 0.47 0.39 0.00 0.00 0.00 175.76 176.95 2k8m n GLU 28 N 1.73 -3.06 -3.05 0.00 1.02 -1.17 -1.76 120.64 114.34 2k8m n GLU 28 Ca -0.18 0.40 -0.37 0.00 -0.02 0.00 0.00 57.16 56.99 2k8m n GLU 28 Cb 0.54 -4.07 -0.06 0.00 -0.02 0.00 0.00 31.44 27.83 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 -4.04 4.42 0.63 -4.62 1.43 -1.02 -3.51 118.68 111.96 2k8m s LEU 29 Ca 0.00 1.50 -0.17 0.00 -1.03 0.00 0.00 54.13 54.44 2k8m s LEU 29 Cb -0.00 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.69 2k8m s LEU 29 CO 0.34 0.08 1.15 -2.84 0.23 0.00 0.00 176.35 175.31 2k8m s PRO 30 N -1.73 2.87 -0.09 1.29 0.02 -1.26 -4.85 135.00 131.25 2k8m s PRO 30 Ca 0.41 1.60 -0.20 0.00 0.02 0.00 0.00 61.00 62.83 2k8m s PRO 30 Cb -0.19 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 2k8m s PRO 30 CO 0.22 -1.23 0.56 0.00 -0.33 0.00 0.00 177.00 176.22 2k8m s ALA 31 N -1.97 3.43 0.02 -1.55 0.00 -1.26 -4.71 121.76 115.71 2k8m s ALA 31 Ca 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2k8m s ALA 31 Cb -0.25 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2k8m s ALA 31 CO 0.36 -0.02 0.00 -0.11 0.00 0.00 0.00 175.76 176.00 2k8m n LEU 32 N 3.62 0.20 -4.77 0.00 -0.00 -1.26 -4.98 117.00 109.81 2k8m n LEU 32 Ca -0.05 0.03 -0.40 0.00 -0.00 0.00 0.00 56.01 55.59 2k8m n LEU 32 Cb 0.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 43.42 43.87 2k8m n LEU 32 CO 0.44 -0.17 1.02 -0.62 -0.00 0.00 0.00 177.39 178.07 2k8m s ASP 33 N -5.18 6.47 -0.66 1.96 2.15 -1.26 -4.87 116.67 115.28 2k8m s ASP 33 Ca 0.00 2.79 -0.26 0.00 0.43 0.00 0.00 52.55 55.51 2k8m s ASP 33 Cb 0.00 -2.65 -0.06 0.00 -0.30 0.00 0.00 42.92 39.91 2k8m s ASP 33 CO 0.00 -0.76 2.11 -0.32 -0.17 0.00 0.00 175.17 176.03 2k8m s MET 34 N -2.04 2.31 0.00 4.34 -2.45 -1.26 -2.43 119.30 117.77 2k8m s MET 34 Ca 0.53 0.65 0.00 0.00 -1.25 0.00 0.00 55.69 55.62 2k8m s MET 34 Cb -0.41 -4.63 0.00 0.00 1.25 0.00 0.00 34.83 31.04 2k8m s MET 34 CO 0.55 -3.26 0.00 0.41 1.05 0.00 0.00 175.02 173.77 2k8m n GLY 35 N 6.16 0.07 0.00 2.11 0.00 -1.26 -4.92 105.19 107.35 2k8m n GLY 35 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 0.32 2.88 -0.02 0.00 -1.02 -5.03 105.19 102.32 2k8m n GLY 36 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 1.56 1.01 2.61 -4.23 -1.26 -4.73 115.64 108.60 2k8m s THR 37 Ca 0.00 -1.83 -0.16 0.00 -1.18 0.00 0.00 61.69 58.52 2k8m s THR 37 Cb 0.00 -2.15 0.21 0.00 1.34 0.00 0.00 72.50 71.90 2k8m s THR 37 CO 0.00 -0.61 1.22 -0.44 -0.54 0.00 0.00 174.62 174.25 2k8m s SER 38 N 1.27 2.62 -0.76 3.99 0.01 -1.26 -4.19 113.70 115.39 2k8m s SER 38 Ca 0.10 0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.91 2k8m s SER 38 Cb -0.18 -0.73 0.24 0.00 0.21 0.00 0.00 66.02 65.55 2k8m s SER 38 CO -0.16 -3.06 0.81 0.47 0.41 0.00 0.00 173.24 171.71 2k8m n ASP 39 N -4.03 4.08 -4.73 2.44 9.92 -1.26 -0.78 116.55 122.19 2k8m n ASP 39 Ca 0.13 -3.35 -0.39 0.00 -0.53 0.00 0.00 54.79 50.65 2k8m n ASP 39 Cb 0.59 -0.83 -0.05 0.00 -0.64 0.00 0.00 41.12 40.19 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 -2.17 4.37 -0.00 -0.24 0.04 -1.24 -0.02 135.00 135.74 2k8m s PRO 40 Ca 0.34 0.65 0.03 0.00 0.04 0.00 0.00 61.00 62.05 2k8m s PRO 40 Cb 0.07 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 2k8m s PRO 40 CO -0.04 0.16 -0.08 1.52 0.04 0.00 0.00 177.00 178.60 2k8m s TYR 41 N 0.53 0.75 -0.12 0.56 1.13 0.94 -3.93 117.35 117.21 2k8m s TYR 41 Ca 0.31 -0.16 -0.23 0.00 -1.41 0.00 0.00 57.07 55.58 2k8m s TYR 41 Cb -0.17 -0.48 -0.03 0.00 -1.10 0.00 0.00 41.96 40.18 2k8m s TYR 41 CO 0.14 -0.01 0.69 0.14 -2.51 0.00 0.00 175.55 174.00 2k8m s VAL 42 N -0.25 5.02 -0.16 -3.49 -7.23 -1.26 -0.08 120.40 112.95 2k8m s VAL 42 Ca 0.03 1.38 -0.00 0.00 -1.81 0.00 0.00 61.98 61.57 2k8m s VAL 42 Cb -0.04 -4.02 -0.00 0.00 0.56 0.00 0.00 36.38 32.89 2k8m s VAL 42 CO -0.00 0.18 -0.14 -1.59 -0.31 0.00 0.00 175.10 173.24 2k8m s LYS 43 N 1.30 3.23 -0.26 4.82 -2.85 0.69 -3.93 119.74 122.73 2k8m s LYS 43 Ca 0.35 -0.74 -0.26 0.00 -1.00 0.00 0.00 55.97 54.32 2k8m s LYS 43 Cb -0.17 -2.67 0.00 0.00 -2.06 0.00 0.00 37.83 32.93 2k8m s LYS 43 CO 0.15 -0.02 0.89 0.14 0.10 0.00 0.00 175.35 176.61 2k8m s VAL 44 N 0.92 4.76 0.28 1.79 -7.23 -1.22 -2.43 120.40 117.27 2k8m s VAL 44 Ca -0.03 1.62 0.11 0.00 -1.81 0.00 0.00 61.98 61.86 2k8m s VAL 44 Cb -0.15 -4.20 -0.05 0.00 0.56 0.00 0.00 36.38 32.55 2k8m s VAL 44 CO -0.01 -0.17 -0.12 0.12 -0.31 0.00 0.00 175.10 174.61 2k8m s PHE 45 N 3.03 2.46 0.35 2.82 5.36 -0.37 -3.79 117.98 127.82 2k8m s PHE 45 Ca 0.37 -0.29 0.07 0.00 -0.96 0.00 0.00 56.93 56.12 2k8m s PHE 45 Cb -0.15 -1.09 -0.07 0.00 -0.34 0.00 0.00 43.02 41.37 2k8m s PHE 45 CO 0.09 0.67 -0.02 -0.51 -1.46 0.00 0.00 175.22 173.99 2k8m s LEU 46 N -3.58 2.62 0.00 6.12 2.01 -1.26 -2.64 118.68 121.94 2k8m s LEU 46 Ca 0.31 -1.29 0.00 0.00 0.01 0.00 0.00 54.13 53.16 2k8m s LEU 46 Cb -0.05 -0.77 0.00 0.00 0.01 0.00 0.00 46.19 45.38 2k8m s LEU 46 CO 0.17 -0.39 0.00 0.00 1.01 0.00 0.00 176.35 177.14 2k8m n LEU 47 N -0.78 0.00 -0.56 1.79 -0.00 -1.25 -4.59 117.00 111.61 2k8m n LEU 47 Ca -0.05 0.00 0.42 0.00 -0.00 0.00 0.00 56.01 56.38 2k8m n LEU 47 Cb 0.65 0.00 0.65 0.00 -0.00 0.00 0.00 43.42 44.72 2k8m n LEU 47 CO 0.44 -0.57 1.17 -2.65 -0.00 0.00 0.00 177.39 175.78 2k8m n PRO 48 N -0.98 -0.00 -0.19 1.47 -0.02 -1.26 -0.33 135.00 133.69 2k8m n PRO 48 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2k8m n PRO 48 Cb 0.00 -1.97 0.09 0.00 -0.02 0.00 0.00 33.50 31.59 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 -0.28 -6.87 2.55 3.58 -1.96 -3.46 116.42 109.98 2k8m h ASP 49 Ca 0.74 0.15 -0.57 0.00 0.42 0.00 0.00 57.03 57.77 2k8m h ASP 49 Cb 2.96 0.26 -0.19 0.00 1.72 0.00 0.00 39.33 44.09 2k8m h ASP 49 CO -0.02 -0.11 -0.91 0.29 -2.88 0.00 0.00 179.24 175.60 2k8m n LYS 50 N -5.28 -2.00 -0.13 0.28 4.76 0.55 -4.86 118.16 111.49 2k8m n LYS 50 Ca 0.08 0.24 0.05 0.00 -2.87 0.00 0.00 58.31 55.81 2k8m n LYS 50 Cb 0.33 -4.29 0.12 0.00 -1.84 0.00 0.00 35.03 29.35 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 -4.42 2.56 -3.78 1.97 5.02 -1.26 -4.96 118.16 113.28 2k8m n LYS 51 Ca -0.19 -1.86 -0.14 0.00 -2.02 0.00 0.00 58.31 54.10 2k8m n LYS 51 Cb 0.62 -1.23 -0.15 0.00 -0.02 0.00 0.00 35.03 34.25 2k8m n LYS 51 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k8m s LYS 52 N -0.97 -0.01 -0.28 1.97 -0.14 -1.26 -5.03 119.74 114.01 2k8m s LYS 52 Ca 0.19 0.19 -0.06 0.00 -1.36 0.00 0.00 55.97 54.93 2k8m s LYS 52 Cb 0.10 -0.20 0.14 0.00 -1.68 0.00 0.00 37.83 36.19 2k8m s LYS 52 CO 0.13 -0.14 0.57 0.21 -0.76 0.00 0.00 175.35 175.36 2k8m s LYS 53 N 0.93 0.51 -0.05 1.68 2.20 -1.26 -4.18 119.74 119.57 2k8m s LYS 53 Ca -0.08 1.17 0.02 0.00 -0.36 0.00 0.00 55.97 56.71 2k8m s LYS 53 Cb -0.11 0.56 0.02 0.00 -1.51 0.00 0.00 37.83 36.79 2k8m s LYS 53 CO -0.03 -0.37 -0.07 0.12 -0.36 0.00 0.00 175.35 174.64 2k8m s PHE 54 N 2.80 0.94 -0.19 4.03 5.36 -1.25 -5.05 117.98 124.63 2k8m s PHE 54 Ca 0.04 -0.29 -0.12 0.00 -0.96 0.00 0.00 56.93 55.61 2k8m s PHE 54 Cb -0.13 -0.75 -0.05 0.00 -0.34 0.00 0.00 43.02 41.75 2k8m s PHE 54 CO -0.18 -0.19 0.20 -2.00 -1.46 0.00 0.00 175.22 171.59 2k8m s GLU 55 N 0.72 4.21 0.61 10.12 2.56 -1.26 -3.41 118.70 132.25 2k8m s GLU 55 Ca -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 54.97 54.77 2k8m s GLU 55 Cb -0.14 -3.43 0.06 0.00 2.00 0.00 0.00 34.13 32.62 2k8m s GLU 55 CO 0.01 0.25 0.85 0.95 -0.56 0.00 0.00 175.26 176.77 2k8m s THR 56 N 0.47 2.47 -0.13 -1.70 -4.23 -1.25 -5.03 115.64 106.24 2k8m s THR 56 Ca 0.12 -0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 59.70 2k8m s THR 56 Cb -0.12 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 2k8m s THR 56 CO 0.01 0.00 1.31 -0.75 -0.54 0.00 0.00 174.62 174.65 2k8m s LYS 57 N -4.90 4.24 0.04 3.99 2.36 -1.26 -4.95 119.74 119.27 2k8m s LYS 57 Ca 0.60 1.74 -0.30 0.00 -2.55 0.00 0.00 55.97 55.46 2k8m s LYS 57 Cb -0.09 -3.76 -0.08 0.00 -1.05 0.00 0.00 37.83 32.85 2k8m s LYS 57 CO 0.40 -0.69 1.75 0.54 1.55 0.00 0.00 175.35 178.90 2k8m s VAL 58 N 3.37 3.08 -0.67 4.02 0.11 -1.26 -4.86 120.40 124.19 2k8m s VAL 58 Ca 0.58 0.37 -0.20 0.00 -2.93 0.00 0.00 61.98 59.80 2k8m s VAL 58 Cb -0.24 -3.24 0.10 0.00 -1.53 0.00 0.00 36.38 31.47 2k8m s VAL 58 CO 0.18 -0.02 0.85 -1.00 -3.33 0.00 0.00 175.10 171.78 2k8m s HIS 59 N 3.36 2.96 0.16 1.54 0.09 -1.25 -5.03 115.29 117.12 2k8m s HIS 59 Ca 0.78 -0.96 -0.30 0.00 -0.00 0.00 0.00 55.06 54.58 2k8m s HIS 59 Cb -0.40 -4.13 -0.08 0.00 -0.00 0.00 0.00 32.58 27.97 2k8m s HIS 59 CO 0.34 -1.42 1.32 -0.98 -0.00 0.00 0.00 174.74 174.00 2k8m s ARG 60 N 2.96 4.38 -0.35 1.40 1.04 -1.26 -3.60 118.95 123.52 2k8m s ARG 60 Ca 0.18 2.03 -0.16 0.00 -1.04 0.00 0.00 55.73 56.73 2k8m s ARG 60 Cb -0.18 -3.22 0.02 0.00 -2.04 0.00 0.00 34.95 29.52 2k8m s ARG 60 CO 0.04 -0.30 0.40 1.63 -0.04 0.00 0.00 175.30 177.04 2k8m n LYS 61 N 3.10 -2.21 -3.59 3.89 4.76 -0.98 -4.97 118.16 118.16 2k8m n LYS 61 Ca 0.08 1.90 -0.11 0.00 -2.87 0.00 0.00 58.31 57.31 2k8m n LYS 61 Cb 0.43 -4.00 -0.06 0.00 -1.84 0.00 0.00 35.03 29.56 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 -1.87 0.00 0.00 -0.18 -1.32 0.04 -4.90 115.64 107.42 2k8m s THR 62 Ca 0.19 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2k8m s THR 62 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2k8m s THR 62 CO 0.69 0.00 0.81 0.18 -2.21 0.00 0.00 174.62 174.09 2k8m n LEU 63 N 1.18 1.54 -2.82 9.08 4.77 -1.26 -4.01 117.00 125.48 2k8m n LEU 63 Ca -0.11 -1.54 -0.08 0.00 -0.03 0.00 0.00 56.01 54.25 2k8m n LEU 63 Cb 0.57 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 2k8m n LEU 63 CO 0.12 0.39 0.09 -3.20 -1.33 0.00 0.00 177.39 173.46 2k8m n ASN 64 N -0.33 -2.98 -4.80 -1.43 5.15 -1.26 -2.43 115.26 107.18 2k8m n ASN 64 Ca 0.00 -2.96 -0.36 0.00 -0.60 0.00 0.00 54.58 50.66 2k8m n ASN 64 Cb 0.22 1.51 -0.06 0.00 -0.53 0.00 0.00 39.78 40.91 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 0.70 4.36 -0.10 1.20 0.04 -1.23 -4.93 135.00 135.03 2k8m s PRO 65 Ca 0.31 1.01 -0.00 0.00 0.04 0.00 0.00 61.00 62.36 2k8m s PRO 65 Cb 0.06 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.76 2k8m s PRO 65 CO -0.11 0.36 -0.06 0.14 0.04 0.00 0.00 177.00 177.37 2k8m s VAL 66 N -1.54 0.86 0.00 -0.36 -7.23 -1.26 -3.24 120.40 107.63 2k8m s VAL 66 Ca 0.45 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2k8m s VAL 66 Cb -0.17 -0.90 0.00 0.00 0.56 0.00 0.00 36.38 35.86 2k8m s VAL 66 CO 0.22 0.33 0.00 0.33 -0.31 0.00 0.00 175.10 175.67 2k8m n PHE 67 N 4.82 0.00 -2.42 2.82 7.35 -1.26 -5.08 117.46 123.69 2k8m n PHE 67 Ca -0.13 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.53 2k8m n PHE 67 Cb 0.50 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.34 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 -0.63 -5.11 -4.74 -2.13 5.15 -1.25 -4.97 115.26 101.58 2k8m n ASN 68 Ca 0.00 -0.15 -0.41 0.00 -0.60 0.00 0.00 54.58 53.42 2k8m n ASN 68 Cb 0.00 -3.38 -0.03 0.00 -0.53 0.00 0.00 39.78 35.84 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 -3.24 4.47 -0.28 1.20 8.01 -1.24 -4.83 118.70 122.80 2k8m s GLU 69 Ca 0.08 1.91 -0.08 0.00 0.01 0.00 0.00 54.97 56.89 2k8m s GLU 69 Cb -0.01 -3.23 -0.02 0.00 -4.31 0.00 0.00 34.13 26.56 2k8m s GLU 69 CO 0.43 -0.13 0.10 -1.14 0.01 0.00 0.00 175.26 174.53 2k8m s GLN 70 N -0.17 3.47 -0.19 1.61 -0.44 -1.26 -2.86 119.66 119.82 2k8m s GLN 70 Ca 0.54 -0.61 -0.02 0.00 -2.50 0.00 0.00 55.36 52.77 2k8m s GLN 70 Cb -0.33 -3.41 -0.01 0.00 -1.64 0.00 0.00 33.01 27.62 2k8m s GLN 70 CO 0.37 -0.30 -0.09 0.12 0.50 0.00 0.00 175.29 175.88 2k8m s PHE 71 N 1.60 2.89 -0.81 1.67 5.36 0.21 -5.00 117.98 123.90 2k8m s PHE 71 Ca 0.05 -0.95 -0.22 0.00 -0.96 0.00 0.00 56.93 54.85 2k8m s PHE 71 Cb -0.16 -2.00 0.08 0.00 -0.34 0.00 0.00 43.02 40.60 2k8m s PHE 71 CO 0.04 -0.48 1.14 0.99 -1.46 0.00 0.00 175.22 175.46 2k8m s THR 72 N 1.10 4.26 -1.33 0.12 2.01 -1.26 -1.31 115.64 119.23 2k8m s THR 72 Ca 0.01 -0.63 -0.17 0.00 0.31 0.00 0.00 61.69 61.20 2k8m s THR 72 Cb -0.15 -4.81 0.04 0.00 0.01 0.00 0.00 72.50 67.59 2k8m s THR 72 CO -0.02 -1.62 1.95 0.33 -0.69 0.00 0.00 174.62 174.57 2k8m n PHE 73 N 7.88 3.97 -2.07 4.92 7.35 -0.61 -4.88 117.46 134.01 2k8m n PHE 73 Ca 0.11 -2.76 -0.28 0.00 -0.76 0.00 0.00 57.45 53.76 2k8m n PHE 73 Cb 0.48 -2.56 -0.06 0.00 0.35 0.00 0.00 39.48 37.69 2k8m n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2k8m s LYS 74 N 3.99 2.51 -0.05 -4.13 -0.14 -1.26 -1.31 119.74 119.36 2k8m s LYS 74 Ca 0.52 -1.02 -0.02 0.00 -1.36 0.00 0.00 55.97 54.09 2k8m s LYS 74 Cb 0.08 -5.21 0.03 0.00 -1.68 0.00 0.00 37.83 31.05 2k8m s LYS 74 CO 0.02 -3.87 0.08 0.08 -0.76 0.00 0.00 175.35 170.90 2k8m s VAL 75 N 10.83 -0.13 0.32 3.17 1.01 -1.18 -4.99 120.40 129.43 2k8m s VAL 75 Ca 0.69 0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 2k8m s VAL 75 Cb -0.02 -0.18 -0.13 0.00 0.00 0.00 0.00 36.38 36.06 2k8m s VAL 75 CO 0.11 0.15 1.15 -2.65 0.00 0.00 0.00 175.10 173.86 2k8m n PRO 76 N 5.06 1.73 0.26 2.72 -0.02 -1.25 -4.20 135.00 139.29 2k8m n PRO 76 Ca -0.09 0.61 0.17 0.00 -2.02 0.00 0.00 63.50 62.17 2k8m n PRO 76 Cb 0.50 -2.09 0.89 0.00 -0.02 0.00 0.00 33.50 32.79 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 2.23 0.00 0.00 6.00 -0.00 -1.94 0.21 116.97 123.47 2k8m h TYR 77 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.26 2k8m h TYR 77 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.04 2k8m h TYR 77 CO 0.49 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 -0.16 0.10 0.02 -2.01 -2.72 113.55 108.79 2k8m h SER 78 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k8m h SER 78 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k8m h SER 78 CO -0.00 0.21 0.00 -0.62 -1.14 0.00 0.00 176.83 175.28 2k8m n GLU 79 N -3.36 2.03 -0.10 3.45 1.02 0.67 -4.51 120.64 119.85 2k8m n GLU 79 Ca 0.00 -1.89 -0.08 0.00 -0.02 0.00 0.00 57.16 55.18 2k8m n GLU 79 Cb 0.42 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 3.94 0.25 -1.13 -4.62 5.85 -1.06 -2.55 115.31 116.00 2k8m h LEU 80 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2k8m h LEU 80 Cb 0.87 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2k8m h LEU 80 CO 0.00 0.19 0.22 1.23 -0.34 0.00 0.00 178.44 179.74 2k8m h GLY 81 N 0.35 0.89 -2.87 3.75 0.00 -1.79 -2.19 103.07 101.21 2k8m h GLY 81 Ca 0.14 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 2k8m h GLY 81 CO -0.09 0.43 0.22 0.61 0.00 0.00 0.00 176.54 177.71 2k8m n GLY 82 N -1.04 2.99 3.04 4.60 0.00 -0.99 -4.13 105.19 109.66 2k8m n GLY 82 Ca 0.05 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.96 0.59 -0.07 1.61 2.47 -0.82 -5.04 119.74 116.52 2k8m s LYS 83 Ca 0.32 -0.54 0.03 0.00 -1.56 0.00 0.00 55.97 54.23 2k8m s LYS 83 Cb 0.26 -0.49 0.01 0.00 -1.46 0.00 0.00 37.83 36.15 2k8m s LYS 83 CO 0.08 0.12 -0.16 0.99 0.16 0.00 0.00 175.35 176.53 2k8m s THR 84 N -0.77 1.42 -0.15 3.43 2.01 -1.26 -3.53 115.64 116.80 2k8m s THR 84 Ca -0.03 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 2k8m s THR 84 Cb -0.06 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2k8m s THR 84 CO 0.00 0.42 0.50 -0.22 -0.69 0.00 0.00 174.62 174.63 2k8m s LEU 85 N 0.50 4.23 -0.27 4.42 2.96 -1.23 -3.94 118.68 125.35 2k8m s LEU 85 Ca -0.14 0.78 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 2k8m s LEU 85 Cb -0.16 -2.71 0.07 0.00 0.50 0.00 0.00 46.19 43.88 2k8m s LEU 85 CO 0.05 -0.07 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.26 2k8m s VAL 86 N 0.99 1.94 -0.35 1.68 1.01 -1.08 -2.91 120.40 121.68 2k8m s VAL 86 Ca 0.26 -1.61 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 2k8m s VAL 86 Cb -0.15 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2k8m s VAL 86 CO 0.10 -0.16 0.20 -0.32 0.00 0.00 0.00 175.10 174.93 2k8m s MET 87 N 1.18 3.12 -0.02 2.72 1.75 -0.57 -1.24 119.30 126.23 2k8m s MET 87 Ca -0.04 -0.89 0.05 0.00 -1.25 0.00 0.00 55.69 53.56 2k8m s MET 87 Cb -0.19 -3.71 -0.03 0.00 2.84 0.00 0.00 34.83 33.74 2k8m s MET 87 CO -0.06 -0.57 -0.18 0.00 -0.65 0.00 0.00 175.02 173.56 2k8m s ALA 88 N 1.61 2.53 -0.25 4.11 0.00 -1.02 -1.45 121.76 127.29 2k8m s ALA 88 Ca 0.04 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 50.83 2k8m s ALA 88 Cb -0.18 -0.82 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2k8m s ALA 88 CO 0.07 0.55 0.20 0.54 0.00 0.00 0.00 175.76 177.13 2k8m s VAL 89 N -0.74 5.32 0.01 0.00 0.11 -0.72 -0.23 120.40 124.14 2k8m s VAL 89 Ca 0.12 0.24 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 2k8m s VAL 89 Cb -0.10 -3.54 -0.04 0.00 -1.53 0.00 0.00 36.38 31.17 2k8m s VAL 89 CO 0.01 0.30 -0.02 -0.47 -3.33 0.00 0.00 175.10 171.59 2k8m s TYR 90 N 1.32 3.00 0.16 1.54 5.04 0.89 -3.11 117.35 126.20 2k8m s TYR 90 Ca 0.09 0.03 -0.03 0.00 -2.44 0.00 0.00 57.07 54.72 2k8m s TYR 90 Cb -0.14 -1.64 -0.05 0.00 0.35 0.00 0.00 41.96 40.48 2k8m s TYR 90 CO 0.07 0.43 0.37 0.34 -1.34 0.00 0.00 175.55 175.42 2k8m s ASP 91 N -1.55 6.45 -0.41 4.32 2.15 -1.21 -0.04 116.67 126.37 2k8m s ASP 91 Ca 0.19 0.51 0.11 0.00 0.43 0.00 0.00 52.55 53.79 2k8m s ASP 91 Cb -0.11 -2.06 0.38 0.00 -0.30 0.00 0.00 42.92 40.83 2k8m s ASP 91 CO 0.10 0.03 0.87 0.33 -0.17 0.00 0.00 175.17 176.33 2k8m n PHE 92 N -0.16 1.60 0.20 -5.34 7.35 0.97 -4.70 117.46 117.39 2k8m n PHE 92 Ca -0.03 -3.53 0.13 0.00 -0.76 0.00 0.00 57.45 53.27 2k8m n PHE 92 Cb 0.52 -0.39 0.72 0.00 0.35 0.00 0.00 39.48 40.68 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 -1.68 -2.13 2.03 -1.89 -3.43 116.42 112.26 2k8m h ASP 93 Ca 0.08 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 56.05 2k8m h ASP 93 Cb 0.92 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.35 2k8m h ASP 93 CO 0.61 0.00 -0.37 0.54 -1.03 0.00 0.00 179.24 178.98 2k8m n ARG 94 N -2.43 -1.25 0.14 4.15 1.74 -1.26 -4.74 116.66 113.02 2k8m n ARG 94 Ca -0.02 0.92 0.00 0.00 -0.77 0.00 0.00 57.85 57.98 2k8m n ARG 94 Cb 0.06 -5.25 0.00 0.00 -1.02 0.00 0.00 32.46 26.25 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 -3.38 -2.86 -1.94 -1.55 7.35 -1.26 -5.13 117.46 108.69 2k8m n PHE 95 Ca -0.18 0.70 -0.29 0.00 -0.76 0.00 0.00 57.45 56.92 2k8m n PHE 95 Cb 0.60 1.55 0.08 0.00 0.35 0.00 0.00 39.48 42.06 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 -3.77 4.79 -1.53 -2.13 0.01 -1.26 -4.91 113.70 104.88 2k8m s SER 96 Ca 0.00 0.83 -0.12 0.00 1.31 0.00 0.00 55.95 57.97 2k8m s SER 96 Cb 0.00 -1.42 -0.02 0.00 0.21 0.00 0.00 66.02 64.79 2k8m s SER 96 CO 0.00 -1.72 2.57 0.29 0.41 0.00 0.00 173.24 174.79 2k8m n LYS 97 N -3.19 3.29 -1.55 12.44 4.76 -1.26 -4.86 118.16 127.80 2k8m n LYS 97 Ca 0.08 -2.45 -0.46 0.00 -2.87 0.00 0.00 58.31 52.61 2k8m n LYS 97 Cb 0.60 -3.04 -0.02 0.00 -1.84 0.00 0.00 35.03 30.72 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 4.81 0.91 -3.51 2.13 1.44 -1.26 -5.00 115.22 114.75 2k8m n HIS 98 Ca 0.64 0.76 0.00 0.00 -2.01 0.00 0.00 57.72 57.11 2k8m n HIS 98 Cb 0.31 -2.19 0.00 0.00 0.12 0.00 0.00 29.99 28.23 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 1.52 1.30 -4.60 4.39 -0.08 -1.26 -4.87 116.55 112.95 2k8m n ASP 99 Ca 0.12 -0.51 -0.42 0.00 -1.51 0.00 0.00 54.79 52.48 2k8m n ASP 99 Cb 0.29 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.70 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 -0.54 4.71 0.00 5.18 1.01 -1.26 -3.35 121.20 126.96 2k8m s ILE 100 Ca 0.00 1.07 0.15 0.00 0.00 0.00 0.00 60.65 61.87 2k8m s ILE 100 Cb 0.00 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.30 2k8m s ILE 100 CO 0.00 -0.40 1.53 0.16 0.00 0.00 0.00 174.94 176.23 2k8m h ILE 101 N 5.72 1.00 -1.19 2.92 -2.65 -1.83 -3.40 117.51 118.08 2k8m h ILE 101 Ca -0.24 -2.14 0.37 0.00 1.03 0.00 0.00 64.86 63.88 2k8m h ILE 101 Cb 1.09 2.30 -0.13 0.00 -2.05 0.00 0.00 36.82 38.03 2k8m h ILE 101 CO 0.92 0.52 0.94 -0.83 0.03 0.00 0.00 178.15 179.73 2k8m s GLY 102 N -4.46 -0.47 0.24 0.16 0.00 -1.26 -3.66 107.32 97.88 2k8m s GLY 102 Ca 0.02 0.85 -0.20 0.00 0.00 0.00 0.00 44.72 45.39 2k8m s GLY 102 CO 0.73 0.37 0.96 -1.83 0.00 0.00 0.00 173.10 173.33 2k8m s GLU 103 N -2.14 1.58 -0.08 2.90 -1.05 -0.48 -1.76 118.70 117.66 2k8m s GLU 103 Ca 0.15 -1.01 -0.18 0.00 -0.15 0.00 0.00 54.97 53.78 2k8m s GLU 103 Cb 0.07 0.45 0.04 0.00 -0.44 0.00 0.00 34.13 34.24 2k8m s GLU 103 CO -0.06 -0.74 0.44 -0.59 0.95 0.00 0.00 175.26 175.26 2k8m s PHE 104 N -2.30 -0.39 0.02 4.83 -0.12 -0.53 -3.37 117.98 116.12 2k8m s PHE 104 Ca 0.19 0.79 0.02 0.00 -0.05 0.00 0.00 56.93 57.89 2k8m s PHE 104 Cb -0.03 0.19 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 2k8m s PHE 104 CO 0.07 -0.38 -0.07 -1.59 -0.05 0.00 0.00 175.22 173.20 2k8m s LYS 105 N -0.72 0.51 -0.03 1.99 0.00 -1.26 -1.51 119.74 118.71 2k8m s LYS 105 Ca -0.08 -0.46 0.01 0.00 0.00 0.00 0.00 55.97 55.44 2k8m s LYS 105 Cb -0.03 -0.40 0.02 0.00 0.00 0.00 0.00 37.83 37.42 2k8m s LYS 105 CO 0.04 0.10 -0.01 0.54 0.00 0.00 0.00 175.35 176.02 2k8m s VAL 106 N -0.68 0.25 -0.35 1.79 0.11 -1.14 -5.04 120.40 115.34 2k8m s VAL 106 Ca -0.03 0.03 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2k8m s VAL 106 Cb -0.06 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.45 2k8m s VAL 106 CO 0.00 0.16 1.78 -2.16 -3.33 0.00 0.00 175.10 171.55 2k8m s PRO 107 N 0.93 3.31 0.62 1.54 0.04 -1.26 -3.55 135.00 136.63 2k8m s PRO 107 Ca -0.10 1.37 0.37 0.00 0.04 0.00 0.00 61.00 62.68 2k8m s PRO 107 Cb -0.13 -4.20 2.09 0.00 0.04 0.00 0.00 34.50 32.30 2k8m s PRO 107 CO -0.01 -1.88 2.29 0.52 0.04 0.00 0.00 177.00 177.96 2k8m h MET 108 N 12.88 0.00 -0.08 4.56 2.86 -1.78 -0.78 114.93 132.59 2k8m h MET 108 Ca -0.33 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.26 2k8m h MET 108 Cb 1.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 2k8m h MET 108 CO 1.04 0.01 -0.18 -0.97 1.06 0.00 0.00 176.91 177.87 2k8m h ASN 109 N 0.00 0.12 1.18 1.22 -1.24 -1.72 -2.22 115.58 112.92 2k8m h ASN 109 Ca -0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 2k8m h ASN 109 Cb 0.05 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.07 2k8m h ASN 109 CO 0.00 0.31 -0.78 0.74 -1.29 0.00 0.00 177.43 176.42 2k8m h THR 110 N 0.12 0.00 -3.00 -3.57 2.02 -1.51 -3.45 112.91 103.52 2k8m h THR 110 Ca 0.02 -0.96 -0.57 0.00 0.77 0.00 0.00 66.41 65.68 2k8m h THR 110 Cb 0.39 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.31 2k8m h THR 110 CO 0.03 0.00 0.88 -0.69 0.37 0.00 0.00 175.52 176.10 2k8m s VAL 111 N -3.32 4.39 -0.40 3.16 1.01 -0.84 -4.99 120.40 119.42 2k8m s VAL 111 Ca 0.02 1.67 -0.24 0.00 0.00 0.00 0.00 61.98 63.43 2k8m s VAL 111 Cb 0.09 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2k8m s VAL 111 CO 0.76 -0.20 0.82 -0.62 0.00 0.00 0.00 175.10 175.87 2k8m s ASP 112 N 1.81 6.53 -0.60 3.32 2.15 -1.26 -4.94 116.67 123.68 2k8m s ASP 112 Ca 0.51 0.24 -0.05 0.00 0.43 0.00 0.00 52.55 53.69 2k8m s ASP 112 Cb -0.19 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2k8m s ASP 112 CO 0.13 -0.84 2.87 2.22 -0.17 0.00 0.00 175.17 179.38 2k8m n PHE 113 N 6.64 1.53 0.07 -5.34 -1.74 -1.26 -4.46 117.46 112.90 2k8m n PHE 113 Ca 0.04 -2.09 -0.21 0.00 -0.56 0.00 0.00 57.45 54.63 2k8m n PHE 113 Cb 0.48 -1.57 -0.13 0.00 1.52 0.00 0.00 39.48 39.78 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 4.61 0.60 0.00 4.97 0.00 -2.00 -3.48 103.07 107.78 2k8m h GLY 114 Ca 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 47.33 46.51 2k8m h GLY 114 CO 0.92 1.11 0.00 1.42 0.00 0.00 0.00 176.54 179.99 2k8m n HIS 115 N -3.93 0.00 -4.21 5.60 8.25 -1.26 -5.09 115.22 114.58 2k8m n HIS 115 Ca -0.13 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.17 2k8m n HIS 115 Cb 0.90 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.87 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 0.39 0.57 -0.66 1.59 -7.23 -1.26 -4.17 120.40 109.62 2k8m s VAL 116 Ca 0.00 -0.49 -0.10 0.00 -1.81 0.00 0.00 61.98 59.58 2k8m s VAL 116 Cb 0.00 -0.51 0.17 0.00 0.56 0.00 0.00 36.38 36.60 2k8m s VAL 116 CO 0.00 0.03 0.55 -0.89 -0.31 0.00 0.00 175.10 174.48 2k8m s THR 117 N -0.45 4.68 -0.18 5.32 2.01 0.16 -4.95 115.64 122.23 2k8m s THR 117 Ca -0.00 -2.37 -0.05 0.00 0.31 0.00 0.00 61.69 59.58 2k8m s THR 117 Cb -0.04 -3.98 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2k8m s THR 117 CO 0.00 -0.91 -0.00 -1.61 -0.69 0.00 0.00 174.62 171.41 2k8m s GLU 118 N 0.51 3.72 0.04 4.92 2.02 -1.26 -0.97 118.70 127.67 2k8m s GLU 118 Ca 0.13 -0.48 -0.27 0.00 0.02 0.00 0.00 54.97 54.37 2k8m s GLU 118 Cb -0.19 -3.03 0.09 0.00 0.10 0.00 0.00 34.13 31.11 2k8m s GLU 118 CO -0.04 0.18 0.85 -1.83 0.02 0.00 0.00 175.26 174.44 2k8m s GLU 119 N 0.56 0.93 -0.89 1.61 -1.05 -1.17 -5.05 118.70 113.64 2k8m s GLU 119 Ca -0.01 -0.37 -0.14 0.00 -0.15 0.00 0.00 54.97 54.31 2k8m s GLU 119 Cb -0.14 0.41 0.22 0.00 -0.44 0.00 0.00 34.13 34.19 2k8m s GLU 119 CO 0.02 -0.41 0.87 -1.58 0.95 0.00 0.00 175.26 175.11 2k8m s TRP 120 N -3.24 3.80 0.15 4.83 0.23 -1.26 -3.39 118.94 120.06 2k8m s TRP 120 Ca 0.05 -2.07 -0.31 0.00 -2.03 0.00 0.00 56.10 51.74 2k8m s TRP 120 Cb -0.01 -3.87 -0.09 0.00 0.03 0.00 0.00 33.47 29.53 2k8m s TRP 120 CO -0.08 -1.03 1.42 0.50 0.96 0.00 0.00 176.95 178.71 2k8m s ARG 121 N 0.14 4.30 0.16 4.98 6.06 -0.57 -4.82 118.95 129.21 2k8m s ARG 121 Ca 0.22 2.16 -0.30 0.00 -2.50 0.00 0.00 55.73 55.30 2k8m s ARG 121 Cb -0.09 -3.21 -0.07 0.00 0.06 0.00 0.00 34.95 31.64 2k8m s ARG 121 CO -0.09 -0.44 0.99 0.16 -2.50 0.00 0.00 175.30 173.42 2k8m s ASP 122 N 0.92 7.48 -0.14 -2.12 -4.77 -1.26 -0.19 116.67 116.59 2k8m s ASP 122 Ca 0.64 1.90 -0.13 0.00 -3.30 0.00 0.00 52.55 51.67 2k8m s ASP 122 Cb -0.39 -2.60 -0.05 0.00 -1.09 0.00 0.00 42.92 38.80 2k8m s ASP 122 CO 0.33 -0.05 0.27 -0.76 0.70 0.00 0.00 175.17 175.66 2k8m s LEU 123 N -0.39 4.28 0.05 2.11 1.43 0.61 -4.87 118.68 121.90 2k8m s LEU 123 Ca 0.46 0.52 0.09 0.00 -1.03 0.00 0.00 54.13 54.16 2k8m s LEU 123 Cb -0.25 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 2k8m s LEU 123 CO 0.32 0.16 -0.24 0.00 0.23 0.00 0.00 176.35 176.82 2k8m s GLN 124 N 0.14 1.87 -0.16 1.70 -2.07 -1.22 -0.53 119.66 119.39 2k8m s GLN 124 Ca 0.16 -1.08 -0.29 0.00 -1.82 0.00 0.00 55.36 52.33 2k8m s GLN 124 Cb -0.13 -2.04 -0.01 0.00 -1.09 0.00 0.00 33.01 29.75 2k8m s GLN 124 CO 0.04 0.52 1.16 -1.12 -1.32 0.00 0.00 175.29 174.57 2k8m s SER 125 N -1.31 7.04 -0.40 12.60 0.01 -1.26 -1.38 113.70 128.99 2k8m s SER 125 Ca 0.13 1.60 0.02 0.00 1.31 0.00 0.00 55.95 59.01 2k8m s SER 125 Cb -0.10 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.70 2k8m s SER 125 CO 0.03 -0.67 0.17 0.00 0.41 0.00 0.00 173.24 173.18 2k8m s ALA 126 N 3.02 2.35 -0.50 1.44 0.00 -1.24 -4.79 121.76 122.04 2k8m s ALA 126 Ca 0.51 -2.49 -0.27 0.00 0.00 0.00 0.00 51.96 49.71 2k8m s ALA 126 Cb -0.20 -1.89 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 2k8m s ALA 126 CO 0.14 -1.89 1.90 -1.21 0.00 0.00 0.00 175.76 174.70 2k8m s GLU 127 N 0.64 2.82 0.00 0.00 8.01 -1.26 -4.52 118.70 124.38 2k8m s GLU 127 Ca 0.14 1.00 0.26 0.00 0.01 0.00 0.00 54.97 56.38 2k8m s GLU 127 Cb -0.22 -4.34 0.63 0.00 -4.31 0.00 0.00 34.13 25.88 2k8m s GLU 127 CO -0.07 -2.48 1.51 1.63 0.01 0.00 0.00 175.26 175.85