#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 3.22 0.00 3.49 0.00 -1.26 -4.32 119.74 120.87 2k8m s LYS 2 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 55.97 55.19 2k8m s LYS 2 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 37.83 35.34 2k8m s LYS 2 CO 0.00 0.18 0.04 -0.11 0.00 0.00 0.00 175.35 175.46 2k8m n LEU 3 N 3.57 0.00 0.00 2.77 7.94 -0.82 -4.36 117.00 126.10 2k8m n LEU 3 Ca -0.19 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.64 2k8m n LEU 3 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2k8m n LEU 3 CO 0.29 0.20 0.00 0.61 -1.11 0.00 0.00 177.39 177.38 2k8m n GLY 4 N 0.00 -0.11 3.01 -3.96 0.00 -1.23 -4.09 105.19 98.82 2k8m n GLY 4 Ca 0.00 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 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 0.36 -0.10 1.61 1.02 -0.74 -0.25 119.74 121.64 2k8m s LYS 5 Ca 0.00 -0.59 0.01 0.00 0.02 0.00 0.00 55.97 55.40 2k8m s LYS 5 Cb 0.00 0.14 0.02 0.00 -0.52 0.00 0.00 37.83 37.47 2k8m s LYS 5 CO 0.00 -0.07 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.09 2k8m s LEU 6 N -1.52 1.43 -0.13 3.17 0.20 0.25 -0.56 118.68 121.52 2k8m s LEU 6 Ca -0.15 -0.34 -0.13 0.00 0.69 0.00 0.00 54.13 54.20 2k8m s LEU 6 Cb -0.09 -0.91 -0.05 0.00 -0.43 0.00 0.00 46.19 44.72 2k8m s LEU 6 CO -0.01 -0.05 0.31 0.00 -0.29 0.00 0.00 176.35 176.30 2k8m s GLN 7 N 1.32 4.11 0.26 1.98 0.00 -0.62 -1.37 119.66 125.33 2k8m s GLN 7 Ca -0.02 0.14 -0.13 0.00 -0.00 0.00 0.00 55.36 55.36 2k8m s GLN 7 Cb -0.14 -3.37 -0.00 0.00 0.00 0.00 0.00 33.01 29.51 2k8m s GLN 7 CO -0.05 0.37 0.50 1.52 0.00 0.00 0.00 175.29 177.63 2k8m s TYR 8 N 0.05 0.38 -0.03 9.60 1.13 -0.18 -1.00 117.35 127.30 2k8m s TYR 8 Ca 0.18 -0.75 -0.01 0.00 -1.41 0.00 0.00 57.07 55.09 2k8m s TYR 8 Cb -0.14 0.22 0.03 0.00 -1.10 0.00 0.00 41.96 40.97 2k8m s TYR 8 CO 0.06 -1.03 0.05 -1.12 -2.51 0.00 0.00 175.55 170.99 2k8m s SER 9 N -3.03 0.40 -0.15 -0.18 0.01 -0.51 -1.88 113.70 108.35 2k8m s SER 9 Ca 0.22 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.57 2k8m s SER 9 Cb -0.01 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.16 2k8m s SER 9 CO 0.10 -0.17 -0.17 -0.76 0.41 0.00 0.00 173.24 172.64 2k8m s LEU 10 N 1.45 2.36 0.16 2.44 1.43 0.51 -2.63 118.68 124.40 2k8m s LEU 10 Ca -0.04 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.63 2k8m s LEU 10 Cb -0.13 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2k8m s LEU 10 CO -0.03 0.08 -0.20 1.51 0.23 0.00 0.00 176.35 177.94 2k8m s ASP 11 N 0.84 2.79 0.07 2.29 -4.77 -1.17 -0.12 116.67 116.59 2k8m s ASP 11 Ca -0.05 -0.84 0.06 0.00 -3.30 0.00 0.00 52.55 48.42 2k8m s ASP 11 Cb -0.15 -0.17 -0.04 0.00 -1.09 0.00 0.00 42.92 41.47 2k8m s ASP 11 CO -0.01 0.00 -0.10 -0.72 0.70 0.00 0.00 175.17 175.05 2k8m s TYR 12 N -1.87 2.77 -0.06 2.11 1.13 -1.26 -0.12 117.35 120.04 2k8m s TYR 12 Ca 0.15 -0.13 0.05 0.00 -1.41 0.00 0.00 57.07 55.73 2k8m s TYR 12 Cb -0.07 -1.48 -0.02 0.00 -1.10 0.00 0.00 41.96 39.29 2k8m s TYR 12 CO 0.07 0.40 -0.21 0.34 -2.51 0.00 0.00 175.55 173.64 2k8m s ASP 13 N -1.94 3.44 0.00 -0.18 -1.08 -0.12 -4.94 116.67 111.85 2k8m s ASP 13 Ca 0.20 -0.40 0.10 0.00 -0.52 0.00 0.00 52.55 51.93 2k8m s ASP 13 Cb -0.11 -0.86 0.20 0.00 -1.46 0.00 0.00 42.92 40.69 2k8m s ASP 13 CO 0.11 0.27 1.07 2.22 0.52 0.00 0.00 175.17 179.37 2k8m n PHE 14 N 2.77 0.26 -0.01 -5.34 1.16 -1.26 -2.36 117.46 112.68 2k8m n PHE 14 Ca -0.17 -0.29 -0.14 0.00 -1.87 0.00 0.00 57.45 54.97 2k8m n PHE 14 Cb 0.52 -0.02 -0.14 0.00 -1.61 0.00 0.00 39.48 38.23 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 1.96 0.12 -0.00 3.97 3.07 -1.96 -3.38 115.11 118.90 2k8m h GLN 15 Ca 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 58.65 58.53 2k8m h GLN 15 Cb 0.60 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.24 2k8m h GLN 15 CO 0.00 0.83 -0.11 0.27 0.09 0.00 0.00 178.83 179.91 2k8m n ASN 16 N -3.25 0.36 -2.65 0.06 0.23 -1.26 -5.07 115.26 103.69 2k8m n ASN 16 Ca -0.23 -0.68 -0.05 0.00 -0.53 0.00 0.00 54.58 53.08 2k8m n ASN 16 Cb 1.05 0.80 0.01 0.00 -2.08 0.00 0.00 39.78 39.56 2k8m n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2k8m n ASN 17 N -0.82 -6.91 -3.48 0.53 3.02 -1.16 -4.91 115.26 101.52 2k8m n ASN 17 Ca 0.01 0.36 -0.10 0.00 -0.03 0.00 0.00 54.58 54.82 2k8m n ASN 17 Cb 0.05 -4.63 -0.02 0.00 -0.61 0.00 0.00 39.78 34.57 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8m s GLN 18 N -2.45 0.96 -0.22 3.52 1.03 -0.99 -2.85 119.66 118.67 2k8m s GLN 18 Ca 0.17 -0.32 -0.08 0.00 0.04 0.00 0.00 55.36 55.17 2k8m s GLN 18 Cb -0.05 0.44 -0.04 0.00 0.03 0.00 0.00 33.01 33.39 2k8m s GLN 18 CO 0.63 -0.41 0.10 -0.51 -2.54 0.00 0.00 175.29 172.56 2k8m s LEU 19 N -2.47 3.84 -0.84 2.60 1.43 -0.59 -0.94 118.68 121.70 2k8m s LEU 19 Ca 0.03 0.03 -0.24 0.00 -1.03 0.00 0.00 54.13 52.92 2k8m s LEU 19 Cb -0.01 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.26 2k8m s LEU 19 CO -0.09 0.09 1.25 -0.22 0.23 0.00 0.00 176.35 177.60 2k8m s LEU 20 N 0.90 3.79 -0.64 1.79 1.98 0.82 -1.80 118.68 125.51 2k8m s LEU 20 Ca 0.05 -1.11 -0.27 0.00 -2.89 0.00 0.00 54.13 49.92 2k8m s LEU 20 Cb -0.13 -2.51 0.04 0.00 0.66 0.00 0.00 46.19 44.24 2k8m s LEU 20 CO 0.03 -1.54 1.17 -0.69 -1.89 0.00 0.00 176.35 173.42 2k8m s VAL 21 N 4.72 3.99 -0.35 1.68 1.01 -0.90 -3.06 120.40 127.48 2k8m s VAL 21 Ca 0.36 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 2k8m s VAL 21 Cb -0.07 -4.77 0.09 0.00 0.00 0.00 0.00 36.38 31.63 2k8m s VAL 21 CO 0.03 -1.51 0.09 -0.83 0.00 0.00 0.00 175.10 172.87 2k8m s GLY 22 N 3.29 1.88 -0.11 4.51 0.00 -1.08 -1.85 107.32 113.97 2k8m s GLY 22 Ca 0.36 -2.25 -0.21 0.00 0.00 0.00 0.00 44.72 42.63 2k8m s GLY 22 CO 0.19 0.88 0.59 -0.26 0.00 0.00 0.00 173.10 174.51 2k8m s ILE 23 N 1.12 5.11 -0.05 0.90 -0.00 -1.23 -1.43 121.20 125.62 2k8m s ILE 23 Ca 0.04 1.20 -0.03 0.00 -0.00 0.00 0.00 60.65 61.85 2k8m s ILE 23 Cb -0.21 -3.93 -0.02 0.00 -0.00 0.00 0.00 42.46 38.31 2k8m s ILE 23 CO -0.04 0.27 0.17 0.40 -0.00 0.00 0.00 174.94 175.73 2k8m h ILE 24 N 4.80 0.00 -2.48 8.37 2.04 -1.42 -3.24 117.51 125.59 2k8m h ILE 24 Ca -0.40 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.02 2k8m h ILE 24 Cb 1.18 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.14 2k8m h ILE 24 CO 0.76 0.00 0.42 0.00 0.00 0.00 0.00 178.15 179.33 2k8m s GLN 25 N -1.77 1.06 -0.05 2.37 -2.07 -1.10 -3.77 119.66 114.33 2k8m s GLN 25 Ca -0.02 -0.47 0.06 0.00 -1.82 0.00 0.00 55.36 53.12 2k8m s GLN 25 Cb 0.00 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 2k8m s GLN 25 CO 0.05 -0.47 -0.25 0.00 -1.32 0.00 0.00 175.29 173.29 2k8m s ALA 26 N -3.33 2.13 0.16 2.60 0.00 -1.18 -1.60 121.76 120.54 2k8m s ALA 26 Ca 0.06 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.07 2k8m s ALA 26 Cb -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.41 2k8m s ALA 26 CO -0.06 0.42 -0.19 0.00 0.00 0.00 0.00 175.76 175.93 2k8m s ALA 27 N -0.20 2.04 -0.88 0.00 0.00 0.27 -3.54 121.76 119.46 2k8m s ALA 27 Ca -0.02 -1.48 -0.04 0.00 0.00 0.00 0.00 51.96 50.41 2k8m s ALA 27 Cb -0.13 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2k8m s ALA 27 CO 0.03 0.27 0.76 0.39 0.00 0.00 0.00 175.76 177.20 2k8m n GLU 28 N 0.36 -5.08 -2.70 0.00 1.02 -1.24 -1.79 120.64 111.21 2k8m n GLU 28 Ca -0.14 0.56 -0.36 0.00 -0.02 0.00 0.00 57.16 57.20 2k8m n GLU 28 Cb 0.57 -4.77 -0.06 0.00 -0.02 0.00 0.00 31.44 27.16 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 -5.14 4.21 0.84 -4.62 1.43 -1.15 -3.55 118.68 110.69 2k8m s LEU 29 Ca 0.27 1.89 -0.13 0.00 -1.03 0.00 0.00 54.13 55.13 2k8m s LEU 29 Cb -0.12 -4.15 0.10 0.00 0.03 0.00 0.00 46.19 42.06 2k8m s LEU 29 CO 0.49 -0.26 1.20 -2.16 0.23 0.00 0.00 176.35 175.86 2k8m s PRO 30 N -2.37 1.71 -0.42 1.29 0.04 -1.26 -4.88 135.00 129.11 2k8m s PRO 30 Ca 0.54 -0.01 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 2k8m s PRO 30 Cb -0.18 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.44 2k8m s PRO 30 CO 0.24 -1.74 0.40 0.00 0.04 0.00 0.00 177.00 175.93 2k8m s ALA 31 N -3.63 3.44 -0.02 8.56 0.00 -1.26 -4.60 121.76 124.26 2k8m s ALA 31 Ca 0.64 -1.56 0.12 0.00 0.00 0.00 0.00 51.96 51.16 2k8m s ALA 31 Cb -0.10 -3.00 -0.18 0.00 0.00 0.00 0.00 23.12 19.84 2k8m s ALA 31 CO 0.50 -1.54 0.25 -0.11 0.00 0.00 0.00 175.76 174.86 2k8m n LEU 32 N 5.48 0.00 -4.54 0.00 -0.00 -1.26 -4.97 117.00 111.72 2k8m n LEU 32 Ca -0.08 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.59 2k8m n LEU 32 Cb 0.47 0.01 -0.12 0.00 -0.00 0.00 0.00 43.42 43.79 2k8m n LEU 32 CO 0.45 0.01 -0.37 -0.62 -0.00 0.00 0.00 177.39 176.85 2k8m s ASP 33 N -3.38 4.68 -0.17 1.96 2.15 -1.26 -5.02 116.67 115.62 2k8m s ASP 33 Ca -0.04 -0.08 -0.33 0.00 0.43 0.00 0.00 52.55 52.53 2k8m s ASP 33 Cb 0.07 -1.45 -0.10 0.00 -0.30 0.00 0.00 42.92 41.15 2k8m s ASP 33 CO 0.48 0.28 2.04 0.80 -0.17 0.00 0.00 175.17 178.61 2k8m n MET 34 N 2.80 1.95 0.00 4.34 0.00 -1.26 -2.48 117.12 122.47 2k8m n MET 34 Ca -0.18 0.65 0.00 0.00 -0.00 0.00 0.00 57.70 58.17 2k8m n MET 34 Cb 0.53 -2.79 0.00 0.00 0.00 0.00 0.00 33.22 30.96 2k8m n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k8m n GLY 35 N 5.23 0.42 2.11 -5.12 0.00 -1.26 -4.78 105.19 101.78 2k8m n GLY 35 Ca 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 0.62 2.72 -0.02 0.00 -1.03 -4.99 105.19 102.48 2k8m n GLY 36 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.09 -0.33 0.79 2.61 -4.23 -1.24 -4.87 115.64 106.27 2k8m s THR 37 Ca 0.00 -0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 59.98 2k8m s THR 37 Cb 0.00 -0.93 0.14 0.00 1.34 0.00 0.00 72.50 73.05 2k8m s THR 37 CO 0.00 -0.47 1.09 -0.44 -0.54 0.00 0.00 174.62 174.26 2k8m s SER 38 N 2.31 4.04 -0.72 3.99 0.01 -1.26 -4.36 113.70 117.70 2k8m s SER 38 Ca 0.09 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.30 2k8m s SER 38 Cb -0.15 -0.23 0.24 0.00 0.21 0.00 0.00 66.02 66.10 2k8m s SER 38 CO -0.30 -2.09 0.79 0.47 0.41 0.00 0.00 173.24 172.52 2k8m n ASP 39 N -3.11 3.97 -4.69 2.44 9.92 -1.26 -0.96 116.55 122.86 2k8m n ASP 39 Ca 0.14 -3.38 -0.39 0.00 -0.53 0.00 0.00 54.79 50.63 2k8m n ASP 39 Cb 0.60 -0.79 -0.06 0.00 -0.64 0.00 0.00 41.12 40.24 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 -2.24 4.28 0.03 -0.24 0.04 -1.23 0.02 135.00 135.66 2k8m s PRO 40 Ca 0.35 0.58 0.04 0.00 0.04 0.00 0.00 61.00 62.02 2k8m s PRO 40 Cb 0.08 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 2k8m s PRO 40 CO -0.04 -0.06 -0.13 1.52 0.04 0.00 0.00 177.00 178.33 2k8m s TYR 41 N 1.32 1.12 -0.37 0.56 1.13 0.92 -4.17 117.35 117.87 2k8m s TYR 41 Ca 0.29 -0.34 -0.22 0.00 -1.41 0.00 0.00 57.07 55.39 2k8m s TYR 41 Cb -0.16 -0.67 0.01 0.00 -1.10 0.00 0.00 41.96 40.04 2k8m s TYR 41 CO 0.12 0.02 0.73 0.14 -2.51 0.00 0.00 175.55 174.04 2k8m s VAL 42 N -0.80 4.78 -0.35 -3.49 -7.23 -1.26 -0.18 120.40 111.88 2k8m s VAL 42 Ca 0.01 0.73 -0.09 0.00 -1.81 0.00 0.00 61.98 60.82 2k8m s VAL 42 Cb -0.07 -4.17 0.02 0.00 0.56 0.00 0.00 36.38 32.72 2k8m s VAL 42 CO 0.01 -0.41 0.17 -1.59 -0.31 0.00 0.00 175.10 172.96 2k8m s LYS 43 N 2.97 2.91 0.06 4.82 -2.85 0.52 -4.02 119.74 124.15 2k8m s LYS 43 Ca 0.29 -1.01 -0.31 0.00 -1.00 0.00 0.00 55.97 53.94 2k8m s LYS 43 Cb -0.14 -3.62 -0.07 0.00 -2.06 0.00 0.00 37.83 31.95 2k8m s LYS 43 CO 0.17 -0.61 1.42 0.14 0.10 0.00 0.00 175.35 176.56 2k8m s VAL 44 N 1.53 3.46 0.15 1.79 -7.23 -1.21 -3.17 120.40 115.73 2k8m s VAL 44 Ca 0.02 0.96 0.08 0.00 -1.81 0.00 0.00 61.98 61.22 2k8m s VAL 44 Cb -0.19 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 2k8m s VAL 44 CO 0.05 0.03 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.35 2k8m s PHE 45 N 1.85 1.70 0.45 2.82 0.08 -0.67 -3.91 117.98 120.30 2k8m s PHE 45 Ca 0.65 -0.49 0.05 0.00 0.12 0.00 0.00 56.93 57.26 2k8m s PHE 45 Cb -0.35 -0.86 -0.05 0.00 -0.57 0.00 0.00 43.02 41.20 2k8m s PHE 45 CO 0.29 0.27 0.08 -0.51 -0.10 0.00 0.00 175.22 175.25 2k8m s LEU 46 N -2.59 2.77 0.00 -0.37 2.01 -1.26 -0.55 118.68 118.69 2k8m s LEU 46 Ca 0.14 -1.37 0.00 0.00 0.01 0.00 0.00 54.13 52.91 2k8m s LEU 46 Cb -0.06 -1.01 0.00 0.00 0.01 0.00 0.00 46.19 45.14 2k8m s LEU 46 CO 0.05 -0.63 0.00 0.00 1.01 0.00 0.00 176.35 176.79 2k8m n LEU 47 N -1.17 0.00 0.00 1.79 -0.00 -1.21 -4.72 117.00 111.69 2k8m n LEU 47 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2k8m n LEU 47 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 2k8m n LEU 47 CO 0.45 -0.40 0.35 -2.65 -0.00 0.00 0.00 177.39 175.14 2k8m n PRO 48 N -0.67 0.00 0.10 1.47 -0.02 -1.26 -1.80 135.00 132.82 2k8m n PRO 48 Ca 0.00 0.13 -0.13 0.00 -2.02 0.00 0.00 63.50 61.48 2k8m n PRO 48 Cb 0.00 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.72 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 -0.16 -6.91 2.55 3.58 -1.96 -3.47 116.42 110.06 2k8m h ASP 49 Ca 0.00 -0.05 -0.59 0.00 0.42 0.00 0.00 57.03 56.82 2k8m h ASP 49 Cb 0.37 0.04 -0.13 0.00 1.72 0.00 0.00 39.33 41.34 2k8m h ASP 49 CO 0.00 -0.06 -0.96 0.29 -2.88 0.00 0.00 179.24 175.63 2k8m n LYS 50 N -5.14 -1.23 -0.00 0.28 4.76 -0.75 -4.86 118.16 111.22 2k8m n LYS 50 Ca -0.08 0.16 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 2k8m n LYS 50 Cb 0.12 -3.54 0.00 0.00 -1.84 0.00 0.00 35.03 29.77 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 -4.64 2.60 -3.66 1.97 5.02 -1.26 -5.03 118.16 113.16 2k8m n LYS 51 Ca -0.27 -1.40 -0.13 0.00 -2.02 0.00 0.00 58.31 54.49 2k8m n LYS 51 Cb 0.66 -0.95 -0.08 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.92 0.73 -0.11 1.97 -2.85 -1.26 -5.01 119.74 112.30 2k8m s LYS 52 Ca 0.01 0.89 -0.30 0.00 -1.00 0.00 0.00 55.97 55.56 2k8m s LYS 52 Cb 0.01 0.35 0.09 0.00 -2.06 0.00 0.00 37.83 36.22 2k8m s LYS 52 CO 0.00 -0.09 0.82 0.21 0.10 0.00 0.00 175.35 176.39 2k8m s LYS 53 N 0.40 0.85 -0.22 1.78 2.20 -1.26 -4.45 119.74 119.03 2k8m s LYS 53 Ca -0.00 0.25 -0.15 0.00 -0.36 0.00 0.00 55.97 55.71 2k8m s LYS 53 Cb -0.04 0.40 0.07 0.00 -1.51 0.00 0.00 37.83 36.74 2k8m s LYS 53 CO -0.00 -0.26 0.56 0.12 -0.36 0.00 0.00 175.35 175.41 2k8m s PHE 54 N -1.06 -0.78 -0.17 4.03 5.36 -1.25 -5.06 117.98 119.06 2k8m s PHE 54 Ca -0.06 1.66 -0.13 0.00 -0.96 0.00 0.00 56.93 57.44 2k8m s PHE 54 Cb -0.00 0.38 -0.05 0.00 -0.34 0.00 0.00 43.02 43.01 2k8m s PHE 54 CO 0.06 -0.40 0.27 -2.00 -1.46 0.00 0.00 175.22 171.69 2k8m s GLU 55 N 1.16 4.24 0.34 10.12 2.56 -1.26 -3.29 118.70 132.56 2k8m s GLU 55 Ca -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.97 54.93 2k8m s GLU 55 Cb -0.06 -3.42 0.07 0.00 2.00 0.00 0.00 34.13 32.72 2k8m s GLU 55 CO -0.11 0.26 0.46 0.25 -0.56 0.00 0.00 175.26 175.56 2k8m n THR 56 N 3.54 0.00 -2.68 -1.70 -2.24 -1.26 -5.05 114.28 104.89 2k8m n THR 56 Ca -0.13 -0.63 -0.41 0.00 -2.27 0.00 0.00 64.05 60.61 2k8m n THR 56 Cb 0.52 -1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 67.42 2k8m n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k8m s LYS 57 N -3.70 4.64 0.02 -0.78 2.20 -1.26 -4.99 119.74 115.87 2k8m s LYS 57 Ca 0.30 1.49 -0.30 0.00 -0.36 0.00 0.00 55.97 57.10 2k8m s LYS 57 Cb -0.01 -3.38 -0.06 0.00 -1.51 0.00 0.00 37.83 32.86 2k8m s LYS 57 CO 0.20 0.11 1.48 0.54 -0.36 0.00 0.00 175.35 177.32 2k8m s VAL 58 N 0.26 3.52 -0.99 4.02 0.11 -1.26 -4.78 120.40 121.27 2k8m s VAL 58 Ca 0.49 0.91 -0.08 0.00 -2.93 0.00 0.00 61.98 60.37 2k8m s VAL 58 Cb -0.24 -3.59 0.25 0.00 -1.53 0.00 0.00 36.38 31.27 2k8m s VAL 58 CO 0.30 -0.01 0.94 -1.00 -3.33 0.00 0.00 175.10 172.01 2k8m s HIS 59 N 2.52 4.06 0.29 1.54 0.09 -1.26 -5.05 115.29 117.48 2k8m s HIS 59 Ca 0.67 -2.67 -0.29 0.00 -0.00 0.00 0.00 55.06 52.77 2k8m s HIS 59 Cb -0.34 -3.66 -0.10 0.00 -0.00 0.00 0.00 32.58 28.48 2k8m s HIS 59 CO 0.28 -0.90 1.39 -0.98 -0.00 0.00 0.00 174.74 174.53 2k8m s ARG 60 N -1.00 4.30 -0.65 1.40 1.04 -1.26 -3.51 118.95 119.26 2k8m s ARG 60 Ca 0.27 2.28 -0.15 0.00 -1.04 0.00 0.00 55.73 57.09 2k8m s ARG 60 Cb -0.10 -3.09 0.02 0.00 -2.04 0.00 0.00 34.95 29.74 2k8m s ARG 60 CO -0.09 -0.33 0.64 1.63 -0.04 0.00 0.00 175.30 177.11 2k8m n LYS 61 N 1.64 -1.74 -3.51 3.89 4.76 -0.79 -4.94 118.16 117.48 2k8m n LYS 61 Ca 0.04 1.22 -0.17 0.00 -2.87 0.00 0.00 58.31 56.53 2k8m n LYS 61 Cb 0.41 -3.00 -0.05 0.00 -1.84 0.00 0.00 35.03 30.54 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 -2.43 0.00 -0.08 -0.18 -1.32 -0.14 -4.88 115.64 106.62 2k8m s THR 62 Ca 0.16 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.65 2k8m s THR 62 Cb -0.02 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.99 2k8m s THR 62 CO 0.86 0.00 0.91 0.18 -2.21 0.00 0.00 174.62 174.36 2k8m n LEU 63 N 0.75 1.84 -3.05 9.08 4.77 -1.26 -4.08 117.00 125.06 2k8m n LEU 63 Ca -0.18 -1.77 -0.10 0.00 -0.03 0.00 0.00 56.01 53.92 2k8m n LEU 63 Cb 0.58 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 2k8m n LEU 63 CO 0.22 0.46 -0.02 0.21 -1.33 0.00 0.00 177.39 176.93 2k8m s ASN 64 N -0.79 -0.47 0.25 -1.43 2.47 -1.26 -2.96 114.94 110.75 2k8m s ASN 64 Ca 0.02 -1.86 -0.30 0.00 0.42 0.00 0.00 52.86 51.14 2k8m s ASN 64 Cb 0.01 1.22 -0.09 0.00 -1.45 0.00 0.00 41.25 40.94 2k8m s ASN 64 CO 0.01 -0.12 1.02 -2.16 -3.72 0.00 0.00 177.10 172.12 2k8m s PRO 65 N 0.92 4.75 -0.20 0.43 0.04 -1.23 -4.92 135.00 134.79 2k8m s PRO 65 Ca 0.27 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.89 2k8m s PRO 65 Cb -0.02 -3.25 0.07 0.00 0.04 0.00 0.00 34.50 31.34 2k8m s PRO 65 CO -0.08 0.35 0.10 0.14 0.04 0.00 0.00 177.00 177.55 2k8m s VAL 66 N -1.06 -0.06 0.00 -0.36 -7.23 -1.26 -3.11 120.40 107.31 2k8m s VAL 66 Ca 0.43 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 2k8m s VAL 66 Cb -0.29 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 35.96 2k8m s VAL 66 CO 0.36 -0.39 0.00 0.33 -0.31 0.00 0.00 175.10 175.08 2k8m n PHE 67 N 5.26 0.00 -2.79 2.82 7.35 -1.25 -5.08 117.46 123.77 2k8m n PHE 67 Ca -0.07 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.53 2k8m n PHE 67 Cb 0.47 0.00 0.04 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 -0.53 -5.67 -4.78 -2.13 5.15 -1.22 -4.99 115.26 101.10 2k8m n ASN 68 Ca 0.00 -0.45 -0.35 0.00 -0.60 0.00 0.00 54.58 53.18 2k8m n ASN 68 Cb 0.00 -4.09 -0.00 0.00 -0.53 0.00 0.00 39.78 35.15 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 -3.86 3.46 -0.15 1.20 8.01 -1.25 -4.81 118.70 121.30 2k8m s GLU 69 Ca 0.28 1.58 -0.02 0.00 0.01 0.00 0.00 54.97 56.83 2k8m s GLU 69 Cb -0.04 -2.05 -0.02 0.00 -4.31 0.00 0.00 34.13 27.71 2k8m s GLU 69 CO 0.56 -0.76 -0.09 -1.14 0.01 0.00 0.00 175.26 173.84 2k8m s GLN 70 N -3.23 3.49 -0.18 1.61 0.74 -1.26 -3.48 119.66 117.35 2k8m s GLN 70 Ca 0.71 -0.62 -0.00 0.00 0.05 0.00 0.00 55.36 55.50 2k8m s GLN 70 Cb -0.23 -2.77 0.01 0.00 1.10 0.00 0.00 33.01 31.12 2k8m s GLN 70 CO 0.26 0.19 -0.15 0.12 -0.55 0.00 0.00 175.29 175.16 2k8m s PHE 71 N 0.45 2.81 -0.82 1.67 5.36 -0.77 -5.00 117.98 121.67 2k8m s PHE 71 Ca -0.07 -1.29 -0.24 0.00 -0.96 0.00 0.00 56.93 54.37 2k8m s PHE 71 Cb -0.15 -1.94 0.05 0.00 -0.34 0.00 0.00 43.02 40.64 2k8m s PHE 71 CO 0.04 -0.64 1.25 0.95 -1.46 0.00 0.00 175.22 175.36 2k8m s THR 72 N 1.15 4.00 -1.29 0.12 -4.23 -1.26 -2.12 115.64 112.00 2k8m s THR 72 Ca 0.01 -0.28 -0.19 0.00 -1.18 0.00 0.00 61.69 60.05 2k8m s THR 72 Cb -0.14 -4.90 0.05 0.00 1.34 0.00 0.00 72.50 68.84 2k8m s THR 72 CO -0.06 -1.77 1.79 0.33 -0.54 0.00 0.00 174.62 174.37 2k8m n PHE 73 N 8.62 4.34 -1.86 3.99 7.35 -0.75 -4.91 117.46 134.24 2k8m n PHE 73 Ca 0.12 -2.65 -0.24 0.00 -0.76 0.00 0.00 57.45 53.92 2k8m n PHE 73 Cb 0.49 -2.63 -0.05 0.00 0.35 0.00 0.00 39.48 37.64 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 4.50 2.22 -0.18 -4.13 -0.14 -1.26 -1.55 119.74 119.20 2k8m s LYS 74 Ca 0.56 0.16 -0.08 0.00 -1.36 0.00 0.00 55.97 55.24 2k8m s LYS 74 Cb 0.04 -4.88 0.07 0.00 -1.68 0.00 0.00 37.83 31.38 2k8m s LYS 74 CO 0.08 -3.65 0.42 0.08 -0.76 0.00 0.00 175.35 171.51 2k8m s VAL 75 N 11.64 -0.26 0.50 3.17 1.01 -1.13 -4.96 120.40 130.36 2k8m s VAL 75 Ca 0.79 0.12 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 2k8m s VAL 75 Cb -0.10 -0.64 -0.07 0.00 0.00 0.00 0.00 36.38 35.58 2k8m s VAL 75 CO 0.06 0.05 1.40 -2.84 0.00 0.00 0.00 175.10 173.77 2k8m s PRO 76 N 1.87 3.41 0.59 2.72 0.02 -1.26 -3.79 135.00 138.57 2k8m s PRO 76 Ca -0.07 2.34 0.30 0.00 0.02 0.00 0.00 61.00 63.59 2k8m s PRO 76 Cb -0.10 -2.46 1.79 0.00 0.02 0.00 0.00 34.50 33.75 2k8m s PRO 76 CO -0.13 -1.01 2.21 0.10 -0.33 0.00 0.00 177.00 177.84 2k8m h TYR 77 N 1.90 0.00 0.00 6.54 -0.00 -1.93 0.24 116.97 123.72 2k8m h TYR 77 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.22 2k8m h TYR 77 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.01 2k8m h TYR 77 CO 0.48 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.51 2k8m n SER 78 N -3.80 0.58 -0.79 0.10 3.41 -1.26 -2.64 113.62 109.22 2k8m n SER 78 Ca -0.02 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.26 2k8m n SER 78 Cb 0.16 -0.73 0.13 0.00 -0.26 0.00 0.00 64.21 63.51 2k8m n SER 78 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k8m n GLU 79 N -2.08 1.89 -0.18 4.33 1.02 0.84 -4.55 120.64 121.91 2k8m n GLU 79 Ca 0.05 -1.82 -0.07 0.00 -0.02 0.00 0.00 57.16 55.30 2k8m n GLU 79 Cb 0.35 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.42 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 3.29 0.66 -0.98 -4.62 5.85 -1.26 -2.95 115.31 115.30 2k8m h LEU 80 Ca 0.00 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 2k8m h LEU 80 Cb 0.77 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2k8m h LEU 80 CO 0.00 0.58 0.47 1.23 -0.34 0.00 0.00 178.44 180.37 2k8m h GLY 81 N 0.69 1.27 -3.42 3.75 0.00 -1.80 -2.30 103.07 101.26 2k8m h GLY 81 Ca 0.18 -0.57 -0.36 0.00 0.00 0.00 0.00 47.33 46.58 2k8m h GLY 81 CO -0.03 0.55 0.45 0.61 0.00 0.00 0.00 176.54 178.12 2k8m n GLY 82 N -1.16 3.75 2.99 4.60 0.00 -1.13 -4.15 105.19 110.10 2k8m n GLY 82 Ca 0.09 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.39 0.41 -0.22 1.61 2.47 -0.86 -5.03 119.74 115.73 2k8m s LYS 83 Ca 0.41 -0.44 -0.05 0.00 -1.56 0.00 0.00 55.97 54.33 2k8m s LYS 83 Cb 0.35 -0.26 0.11 0.00 -1.46 0.00 0.00 37.83 36.56 2k8m s LYS 83 CO 0.08 0.06 0.43 0.99 0.16 0.00 0.00 175.35 177.07 2k8m s THR 84 N -0.75 -0.68 0.17 3.43 2.01 -1.26 -3.45 115.64 115.10 2k8m s THR 84 Ca -0.05 0.08 -0.01 0.00 0.31 0.00 0.00 61.69 62.02 2k8m s THR 84 Cb -0.06 -0.75 -0.04 0.00 0.01 0.00 0.00 72.50 71.66 2k8m s THR 84 CO -0.00 0.01 0.36 -1.48 -0.69 0.00 0.00 174.62 172.81 2k8m s LEU 85 N 2.63 4.26 -0.03 4.42 2.34 -1.26 -3.29 118.68 127.75 2k8m s LEU 85 Ca 0.04 0.41 0.07 0.00 0.06 0.00 0.00 54.13 54.70 2k8m s LEU 85 Cb -0.13 -3.16 -0.02 0.00 -0.56 0.00 0.00 46.19 42.33 2k8m s LEU 85 CO -0.15 0.01 -0.23 0.68 -1.06 0.00 0.00 176.35 175.60 2k8m s VAL 86 N -1.77 1.84 -0.50 1.48 -7.23 0.29 -4.07 120.40 110.44 2k8m s VAL 86 Ca 0.38 -0.98 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 2k8m s VAL 86 Cb -0.11 -1.53 0.13 0.00 0.56 0.00 0.00 36.38 35.42 2k8m s VAL 86 CO 0.28 0.52 0.40 -0.32 -0.31 0.00 0.00 175.10 175.67 2k8m s MET 87 N -0.44 2.65 -0.22 4.82 1.75 0.09 -1.66 119.30 126.30 2k8m s MET 87 Ca 0.06 -1.79 -0.08 0.00 -1.25 0.00 0.00 55.69 52.63 2k8m s MET 87 Cb -0.10 -4.04 -0.04 0.00 2.84 0.00 0.00 34.83 33.49 2k8m s MET 87 CO 0.00 -1.24 0.08 0.00 -0.65 0.00 0.00 175.02 173.22 2k8m s ALA 88 N 1.36 3.35 -0.33 4.11 0.00 -1.19 -1.82 121.76 127.24 2k8m s ALA 88 Ca 0.06 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 50.93 2k8m s ALA 88 Cb -0.27 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 2k8m s ALA 88 CO -0.00 -0.13 0.47 0.54 0.00 0.00 0.00 175.76 176.64 2k8m s VAL 89 N 0.95 5.07 0.04 0.00 0.11 -0.56 -0.35 120.40 125.66 2k8m s VAL 89 Ca 0.04 0.35 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 2k8m s VAL 89 Cb -0.14 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.78 2k8m s VAL 89 CO 0.03 -0.13 0.07 -0.47 -3.33 0.00 0.00 175.10 171.27 2k8m s TYR 90 N 2.28 3.21 0.21 1.54 5.04 0.75 -2.78 117.35 127.60 2k8m s TYR 90 Ca 0.17 0.12 -0.04 0.00 -2.44 0.00 0.00 57.07 54.89 2k8m s TYR 90 Cb -0.16 -1.67 -0.05 0.00 0.35 0.00 0.00 41.96 40.43 2k8m s TYR 90 CO 0.12 0.53 0.44 0.34 -1.34 0.00 0.00 175.55 175.64 2k8m s ASP 91 N -2.08 6.45 -0.33 4.32 -1.08 -1.24 -0.05 116.67 122.66 2k8m s ASP 91 Ca 0.26 0.57 0.17 0.00 -0.52 0.00 0.00 52.55 53.03 2k8m s ASP 91 Cb -0.12 -2.08 0.44 0.00 -1.46 0.00 0.00 42.92 39.69 2k8m s ASP 91 CO 0.18 -0.05 0.92 0.33 0.52 0.00 0.00 175.17 177.07 2k8m n PHE 92 N -0.46 0.87 -0.04 -5.34 7.35 0.10 -4.72 117.46 115.21 2k8m n PHE 92 Ca -0.03 -2.95 0.20 0.00 -0.76 0.00 0.00 57.45 53.91 2k8m n PHE 92 Cb 0.53 -0.33 0.66 0.00 0.35 0.00 0.00 39.48 40.69 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 2.98 0.08 0.00 -2.13 2.03 -1.91 -3.45 116.42 114.01 2k8m h ASP 93 Ca -0.07 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 2k8m h ASP 93 Cb 1.14 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2k8m h ASP 93 CO 0.48 0.04 0.00 0.54 -1.03 0.00 0.00 179.24 179.27 2k8m n ARG 94 N -4.39 -0.00 0.02 4.15 1.74 -1.26 -4.83 116.66 112.08 2k8m n ARG 94 Ca 0.11 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.17 2k8m n ARG 94 Cb 0.61 -2.60 -0.01 0.00 -1.02 0.00 0.00 32.46 29.45 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 -2.09 0.00 -2.24 -1.55 -0.00 -1.26 -5.08 117.46 105.23 2k8m n PHE 95 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.22 2k8m n PHE 95 Cb 0.00 -0.10 0.14 0.00 -0.00 0.00 0.00 39.48 39.52 2k8m n PHE 95 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2k8m n SER 96 N -3.58 0.72 -4.45 -2.13 7.64 -1.26 -4.98 113.62 105.57 2k8m n SER 96 Ca -0.03 -1.76 -0.44 0.00 1.01 0.00 0.00 58.87 57.65 2k8m n SER 96 Cb 0.10 -0.73 -0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2k8m n SER 96 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k8m s LYS 97 N -5.18 4.11 0.85 1.43 2.36 -1.26 -4.90 119.74 117.15 2k8m s LYS 97 Ca 0.63 -2.67 -0.11 0.00 -2.55 0.00 0.00 55.97 51.27 2k8m s LYS 97 Cb -0.03 -5.00 0.11 0.00 -1.05 0.00 0.00 37.83 31.86 2k8m s LYS 97 CO 0.43 -1.70 1.14 -3.38 1.55 0.00 0.00 175.35 173.39 2k8m s HIS 98 N 1.20 1.94 0.24 4.03 0.00 -1.26 -5.06 115.29 116.39 2k8m s HIS 98 Ca 0.41 1.70 0.03 0.00 -3.00 0.00 0.00 55.06 54.20 2k8m s HIS 98 Cb -0.04 -3.28 -0.01 0.00 -4.00 0.00 0.00 32.58 25.25 2k8m s HIS 98 CO -0.01 -2.50 0.26 -3.47 -1.00 0.00 0.00 174.74 168.02 2k8m n ASP 99 N -3.81 -0.70 -4.66 7.38 -0.08 -1.26 -4.96 116.55 108.47 2k8m n ASP 99 Ca 0.11 -2.46 -0.43 0.00 -1.51 0.00 0.00 54.79 50.51 2k8m n ASP 99 Cb 0.52 1.44 -0.02 0.00 2.34 0.00 0.00 41.12 45.40 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 -2.85 4.09 0.05 5.18 1.01 -1.26 -3.60 121.20 123.83 2k8m s ILE 100 Ca 0.25 1.31 0.09 0.00 0.00 0.00 0.00 60.65 62.30 2k8m s ILE 100 Cb 0.00 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.45 2k8m s ILE 100 CO 0.18 -0.17 1.33 0.16 0.00 0.00 0.00 174.94 176.45 2k8m h ILE 101 N 5.60 1.48 0.00 2.92 3.07 -1.85 -3.43 117.51 125.30 2k8m h ILE 101 Ca -0.29 -3.07 0.00 0.00 1.55 0.00 0.00 64.86 63.05 2k8m h ILE 101 Cb 1.12 2.72 0.00 0.00 -0.27 0.00 0.00 36.82 40.39 2k8m h ILE 101 CO 0.98 0.84 0.00 0.61 -1.05 0.00 0.00 178.15 179.53 2k8m n GLY 102 N 1.28 0.25 3.57 0.16 0.00 -1.25 -4.20 105.19 105.00 2k8m n GLY 102 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 2k8m n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k8m s GLU 103 N -2.00 0.68 0.11 1.61 -1.05 0.24 -1.50 118.70 116.79 2k8m s GLU 103 Ca 0.00 0.19 0.05 0.00 -0.15 0.00 0.00 54.97 55.06 2k8m s GLU 103 Cb 0.00 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.97 2k8m s GLU 103 CO 0.00 -0.21 -0.12 -0.59 0.95 0.00 0.00 175.26 175.29 2k8m s PHE 104 N -1.07 1.24 -0.01 4.83 -0.71 -0.75 -4.05 117.98 117.46 2k8m s PHE 104 Ca -0.03 -0.59 -0.19 0.00 -1.04 0.00 0.00 56.93 55.08 2k8m s PHE 104 Cb -0.01 -0.66 0.04 0.00 -1.21 0.00 0.00 43.02 41.18 2k8m s PHE 104 CO 0.03 0.08 0.41 -1.59 -1.34 0.00 0.00 175.22 172.80 2k8m s LYS 105 N -2.64 0.79 -0.04 1.99 0.00 -1.26 -0.73 119.74 117.86 2k8m s LYS 105 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 55.97 55.90 2k8m s LYS 105 Cb -0.05 0.36 0.03 0.00 0.00 0.00 0.00 37.83 38.18 2k8m s LYS 105 CO 0.02 -0.24 0.08 0.54 0.00 0.00 0.00 175.35 175.76 2k8m s VAL 106 N -1.48 -0.05 -0.10 1.79 0.11 -1.26 -5.07 120.40 114.34 2k8m s VAL 106 Ca -0.12 0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 2k8m s VAL 106 Cb -0.03 -0.15 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 2k8m s VAL 106 CO 0.05 0.08 1.76 -2.16 -3.33 0.00 0.00 175.10 171.49 2k8m s PRO 107 N 1.10 3.96 0.45 1.54 0.04 -1.26 -4.51 135.00 136.32 2k8m s PRO 107 Ca -0.09 2.10 0.31 0.00 0.04 0.00 0.00 61.00 63.36 2k8m s PRO 107 Cb -0.12 -4.07 1.52 0.00 0.04 0.00 0.00 34.50 31.87 2k8m s PRO 107 CO -0.04 -1.12 1.94 0.52 0.04 0.00 0.00 177.00 178.33 2k8m h MET 108 N 10.62 0.00 -0.37 4.56 2.86 -1.80 -2.11 114.93 128.70 2k8m h MET 108 Ca -0.40 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2k8m h MET 108 Cb 1.19 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.83 2k8m h MET 108 CO 0.97 0.00 0.25 -0.97 1.06 0.00 0.00 176.91 178.21 2k8m h ASN 109 N 0.00 0.41 0.69 1.22 -1.24 -1.72 -1.44 115.58 113.50 2k8m h ASN 109 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 2k8m h ASN 109 Cb 0.20 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.15 2k8m h ASN 109 CO 0.00 0.29 -1.08 0.41 -1.29 0.00 0.00 177.43 175.76 2k8m n THR 110 N -4.48 0.38 -3.03 -3.57 -1.04 -0.80 -4.71 114.28 97.03 2k8m n THR 110 Ca 0.03 -0.42 -0.44 0.00 -2.04 0.00 0.00 64.05 61.17 2k8m n THR 110 Cb 0.08 -0.11 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 2k8m n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k8m s VAL 111 N -3.31 4.82 0.51 12.58 1.01 -0.54 -5.03 120.40 130.43 2k8m s VAL 111 Ca 0.01 -1.33 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 2k8m s VAL 111 Cb 0.12 -4.63 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 2k8m s VAL 111 CO 0.80 -1.31 1.13 1.51 0.00 0.00 0.00 175.10 177.22 2k8m s ASP 112 N 3.43 5.94 -1.10 3.32 -4.77 -1.26 -4.86 116.67 117.36 2k8m s ASP 112 Ca 0.22 2.18 -0.03 0.00 -3.30 0.00 0.00 52.55 51.63 2k8m s ASP 112 Cb -0.13 -2.59 0.28 0.00 -1.09 0.00 0.00 42.92 39.39 2k8m s ASP 112 CO -0.01 -1.07 1.85 2.22 0.70 0.00 0.00 175.17 178.86 2k8m n PHE 113 N -1.00 2.63 -0.04 2.11 -1.74 -1.26 -4.70 117.46 113.47 2k8m n PHE 113 Ca 0.10 -2.62 -0.17 0.00 -0.56 0.00 0.00 57.45 54.21 2k8m n PHE 113 Cb 0.50 -1.36 -0.07 0.00 1.52 0.00 0.00 39.48 40.08 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 4.90 0.87 0.00 4.97 0.00 -2.01 -3.48 103.07 108.32 2k8m h GLY 114 Ca 0.49 -1.18 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2k8m h GLY 114 CO 1.29 1.05 0.00 1.42 0.00 0.00 0.00 176.54 180.30 2k8m n HIS 115 N -3.98 0.00 -4.05 5.60 8.25 -1.26 -5.16 115.22 114.61 2k8m n HIS 115 Ca -0.07 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.29 2k8m n HIS 115 Cb 0.71 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.71 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 0.00 0.34 -0.50 1.59 -7.23 -1.26 -4.35 120.40 108.99 2k8m s VAL 116 Ca 0.00 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 2k8m s VAL 116 Cb 0.00 -0.76 0.13 0.00 0.56 0.00 0.00 36.38 36.31 2k8m s VAL 116 CO 0.00 -0.59 0.28 -0.89 -0.31 0.00 0.00 175.10 173.58 2k8m s THR 117 N -2.12 3.09 -0.23 5.32 2.01 0.82 -4.96 115.64 119.57 2k8m s THR 117 Ca -0.07 -2.75 -0.06 0.00 0.31 0.00 0.00 61.69 59.12 2k8m s THR 117 Cb -0.05 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.33 2k8m s THR 117 CO -0.03 -0.77 0.03 -1.61 -0.69 0.00 0.00 174.62 171.56 2k8m s GLU 118 N 0.31 3.61 0.21 4.92 2.02 -1.26 -0.37 118.70 128.14 2k8m s GLU 118 Ca 0.14 -0.51 -0.22 0.00 0.02 0.00 0.00 54.97 54.40 2k8m s GLU 118 Cb -0.22 -3.20 0.07 0.00 0.10 0.00 0.00 34.13 30.88 2k8m s GLU 118 CO -0.03 -0.12 0.97 -1.83 0.02 0.00 0.00 175.26 174.27 2k8m s GLU 119 N 1.37 1.43 -0.41 1.61 -1.05 -0.79 -5.03 118.70 115.84 2k8m s GLU 119 Ca 0.05 -0.89 0.02 0.00 -0.15 0.00 0.00 54.97 54.00 2k8m s GLU 119 Cb -0.15 0.42 0.12 0.00 -0.44 0.00 0.00 34.13 34.09 2k8m s GLU 119 CO 0.02 -0.67 0.18 1.67 0.95 0.00 0.00 175.26 177.41 2k8m s TRP 120 N -2.55 2.52 0.39 4.83 -2.14 -1.26 -1.01 118.94 119.72 2k8m s TRP 120 Ca 0.18 -2.56 -0.23 0.00 2.66 0.00 0.00 56.10 56.14 2k8m s TRP 120 Cb -0.03 -2.25 -0.10 0.00 -3.10 0.00 0.00 33.47 27.99 2k8m s TRP 120 CO 0.05 -0.82 0.98 0.50 -2.66 0.00 0.00 176.95 175.00 2k8m s ARG 121 N 0.57 4.31 0.33 3.25 6.06 -0.47 -4.76 118.95 128.24 2k8m s ARG 121 Ca 0.15 1.31 -0.27 0.00 -2.50 0.00 0.00 55.73 54.41 2k8m s ARG 121 Cb -0.22 -2.48 -0.09 0.00 0.06 0.00 0.00 34.95 32.21 2k8m s ARG 121 CO -0.06 0.03 1.07 0.16 -2.50 0.00 0.00 175.30 173.99 2k8m s ASP 122 N -1.82 7.06 -0.22 -2.12 -4.77 -1.26 -0.59 116.67 112.96 2k8m s ASP 122 Ca 0.57 2.16 -0.18 0.00 -3.30 0.00 0.00 52.55 51.80 2k8m s ASP 122 Cb -0.16 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.03 2k8m s ASP 122 CO 0.21 -0.28 0.51 -0.76 0.70 0.00 0.00 175.17 175.54 2k8m s LEU 123 N -1.95 4.12 -0.16 2.11 1.43 0.65 -4.84 118.68 120.05 2k8m s LEU 123 Ca 0.50 0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 54.19 2k8m s LEU 123 Cb -0.27 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 2k8m s LEU 123 CO 0.35 -0.20 -0.07 -1.10 0.23 0.00 0.00 176.35 175.56 2k8m s GLN 124 N 1.79 3.54 -0.93 1.70 -0.21 -1.26 -1.95 119.66 122.35 2k8m s GLN 124 Ca 0.23 -0.59 -0.24 0.00 0.02 0.00 0.00 55.36 54.78 2k8m s GLN 124 Cb -0.15 -2.83 0.02 0.00 1.00 0.00 0.00 33.01 31.04 2k8m s GLN 124 CO 0.09 0.18 1.56 -1.54 -2.12 0.00 0.00 175.29 173.46 2k8m s SER 125 N 0.50 6.07 -0.47 5.90 1.04 -1.26 -0.59 113.70 124.88 2k8m s SER 125 Ca -0.05 -1.02 -0.17 0.00 0.48 0.00 0.00 55.95 55.19 2k8m s SER 125 Cb -0.15 -2.56 0.06 0.00 0.10 0.00 0.00 66.02 63.47 2k8m s SER 125 CO 0.03 -1.89 0.47 0.00 0.98 0.00 0.00 173.24 172.83 2k8m s ALA 126 N 6.50 3.48 -0.03 5.32 0.00 -1.26 -4.82 121.76 130.95 2k8m s ALA 126 Ca 0.51 -1.88 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 2k8m s ALA 126 Cb -0.03 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2k8m s ALA 126 CO -0.02 -1.79 1.40 -1.21 0.00 0.00 0.00 175.76 174.14 2k8m s GLU 127 N 2.05 4.27 0.00 0.00 2.02 -1.26 -4.58 118.70 121.20 2k8m s GLU 127 Ca 0.09 1.93 0.08 0.00 0.02 0.00 0.00 54.97 57.09 2k8m s GLU 127 Cb -0.21 -3.64 0.06 0.00 0.10 0.00 0.00 34.13 30.44 2k8m s GLU 127 CO 0.10 -0.61 0.75 1.63 0.02 0.00 0.00 175.26 177.15