#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 1.80 0.00 3.49 0.00 -1.26 -3.99 119.74 119.78 2k8m s LYS 2 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 55.97 54.69 2k8m s LYS 2 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 37.83 35.76 2k8m s LYS 2 CO 0.00 0.45 0.02 -0.11 0.00 0.00 0.00 175.35 175.71 2k8m n LEU 3 N 0.46 0.00 0.00 2.77 7.94 -1.05 -3.61 117.00 123.51 2k8m n LEU 3 Ca -0.14 -0.17 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 2k8m n LEU 3 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2k8m n LEU 3 CO 0.30 0.31 0.00 0.61 -1.11 0.00 0.00 177.39 177.50 2k8m n GLY 4 N 0.00 0.10 2.99 -3.96 0.00 -1.24 -4.17 105.19 98.91 2k8m n GLY 4 Ca 0.00 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.17 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 0.29 -0.08 1.61 1.02 -0.92 -0.50 119.74 121.15 2k8m s LYS 5 Ca 0.00 -0.47 0.03 0.00 0.02 0.00 0.00 55.97 55.54 2k8m s LYS 5 Cb 0.00 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.43 2k8m s LYS 5 CO 0.00 -0.05 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.05 2k8m s LEU 6 N -1.21 1.79 -0.21 3.17 0.20 0.38 -1.14 118.68 121.66 2k8m s LEU 6 Ca -0.13 -0.40 -0.11 0.00 0.69 0.00 0.00 54.13 54.18 2k8m s LEU 6 Cb -0.08 -1.04 -0.05 0.00 -0.43 0.00 0.00 46.19 44.59 2k8m s LEU 6 CO -0.00 0.07 0.17 0.00 -0.29 0.00 0.00 176.35 176.30 2k8m s GLN 7 N 0.62 4.16 0.10 1.98 0.00 -0.63 -0.91 119.66 124.97 2k8m s GLN 7 Ca -0.15 -0.17 -0.13 0.00 -0.00 0.00 0.00 55.36 54.91 2k8m s GLN 7 Cb -0.16 -3.47 0.02 0.00 0.00 0.00 0.00 33.01 29.40 2k8m s GLN 7 CO 0.05 0.20 0.30 1.52 0.00 0.00 0.00 175.29 177.35 2k8m s TYR 8 N 0.65 -0.05 -0.16 9.60 1.13 -0.90 -0.81 117.35 126.82 2k8m s TYR 8 Ca 0.09 -0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.48 2k8m s TYR 8 Cb -0.12 0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.87 2k8m s TYR 8 CO 0.01 -0.60 -0.14 -1.54 -2.51 0.00 0.00 175.55 170.77 2k8m s SER 9 N -2.69 2.84 -0.35 -0.18 1.04 0.39 -2.06 113.70 112.68 2k8m s SER 9 Ca 0.02 -0.56 -0.16 0.00 0.48 0.00 0.00 55.95 55.72 2k8m s SER 9 Cb 0.03 -1.22 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 2k8m s SER 9 CO -0.10 -0.07 0.43 -0.76 0.98 0.00 0.00 173.24 173.72 2k8m s LEU 10 N 1.45 4.42 0.14 2.42 1.43 -0.24 -1.98 118.68 126.32 2k8m s LEU 10 Ca 0.04 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 2k8m s LEU 10 Cb -0.13 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2k8m s LEU 10 CO -0.11 -0.40 -0.03 -0.62 0.23 0.00 0.00 176.35 175.42 2k8m s ASP 11 N 1.75 4.71 0.15 2.29 2.15 -0.69 -1.35 116.67 125.68 2k8m s ASP 11 Ca 0.15 -0.35 0.10 0.00 0.43 0.00 0.00 52.55 52.87 2k8m s ASP 11 Cb -0.16 -1.00 -0.04 0.00 -0.30 0.00 0.00 42.92 41.42 2k8m s ASP 11 CO 0.12 0.13 -0.22 -0.72 -0.17 0.00 0.00 175.17 174.31 2k8m s TYR 12 N -1.50 2.04 -0.02 -5.34 1.13 -1.26 0.28 117.35 112.67 2k8m s TYR 12 Ca 0.25 -0.41 -0.04 0.00 -1.41 0.00 0.00 57.07 55.47 2k8m s TYR 12 Cb -0.10 -1.05 0.00 0.00 -1.10 0.00 0.00 41.96 39.71 2k8m s TYR 12 CO 0.17 0.35 0.08 0.34 -2.51 0.00 0.00 175.55 173.99 2k8m s ASP 13 N -2.39 -0.00 0.00 -0.18 -1.08 -0.94 -4.93 116.67 107.15 2k8m s ASP 13 Ca 0.15 -0.03 0.08 0.00 -0.52 0.00 0.00 52.55 52.23 2k8m s ASP 13 Cb -0.08 0.18 -0.09 0.00 -1.46 0.00 0.00 42.92 41.47 2k8m s ASP 13 CO 0.07 -0.16 0.37 2.22 0.52 0.00 0.00 175.17 178.19 2k8m n PHE 14 N 2.40 0.00 0.04 -5.34 -1.74 -1.26 -2.48 117.46 109.07 2k8m n PHE 14 Ca -0.17 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.64 2k8m n PHE 14 Cb 0.58 0.00 0.08 0.00 1.52 0.00 0.00 39.48 41.65 2k8m n PHE 14 CO 0.00 0.00 0.00 -0.56 -0.56 0.00 0.00 176.76 175.64 2k8m h GLN 15 N 0.06 0.44 0.00 3.97 3.07 -1.96 -3.26 115.11 117.42 2k8m h GLN 15 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 58.65 58.45 2k8m h GLN 15 Cb 0.21 0.04 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2k8m h GLN 15 CO 0.00 0.90 -0.47 0.27 0.09 0.00 0.00 178.83 179.62 2k8m n ASN 16 N -3.92 0.92 -2.83 0.06 0.23 -1.26 -5.06 115.26 103.40 2k8m n ASN 16 Ca -0.03 -0.51 -0.06 0.00 -0.53 0.00 0.00 54.58 53.45 2k8m n ASN 16 Cb 0.61 1.05 0.01 0.00 -2.08 0.00 0.00 39.78 39.37 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 -1.25 -7.62 -3.62 0.53 3.02 -1.19 -4.93 115.26 100.20 2k8m n ASN 17 Ca 0.01 0.36 -0.08 0.00 -0.03 0.00 0.00 54.58 54.84 2k8m n ASN 17 Cb 0.10 -5.16 -0.02 0.00 -0.61 0.00 0.00 39.78 34.10 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 -2.65 1.22 -0.19 3.52 1.03 -1.04 -3.49 119.66 118.07 2k8m s GLN 18 Ca 0.17 -0.58 -0.06 0.00 0.04 0.00 0.00 55.36 54.94 2k8m s GLN 18 Cb -0.05 0.48 -0.03 0.00 0.03 0.00 0.00 33.01 33.44 2k8m s GLN 18 CO 0.72 -0.55 0.03 -0.51 -2.54 0.00 0.00 175.29 172.45 2k8m s LEU 19 N -2.76 3.55 -0.75 2.60 1.43 -0.78 -2.21 118.68 119.76 2k8m s LEU 19 Ca 0.07 -0.05 -0.22 0.00 -1.03 0.00 0.00 54.13 52.91 2k8m s LEU 19 Cb -0.02 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.39 2k8m s LEU 19 CO -0.04 0.13 1.04 -0.22 0.23 0.00 0.00 176.35 177.49 2k8m s LEU 20 N 0.62 4.48 -0.90 1.79 1.98 0.14 -1.83 118.68 124.96 2k8m s LEU 20 Ca 0.01 -1.27 -0.22 0.00 -2.89 0.00 0.00 54.13 49.76 2k8m s LEU 20 Cb -0.14 -2.42 0.07 0.00 0.66 0.00 0.00 46.19 44.36 2k8m s LEU 20 CO 0.02 -1.36 1.26 -0.69 -1.89 0.00 0.00 176.35 173.69 2k8m s VAL 21 N 3.80 4.17 -0.66 1.68 1.01 -1.10 -1.70 120.40 127.61 2k8m s VAL 21 Ca 0.26 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2k8m s VAL 21 Cb -0.13 -4.91 0.13 0.00 0.00 0.00 0.00 36.38 31.48 2k8m s VAL 21 CO 0.04 -1.74 0.72 -0.83 0.00 0.00 0.00 175.10 173.30 2k8m s GLY 22 N 4.23 2.00 -0.20 4.51 0.00 -0.84 -3.27 107.32 113.74 2k8m s GLY 22 Ca 0.37 -2.53 -0.22 0.00 0.00 0.00 0.00 44.72 42.35 2k8m s GLY 22 CO -0.03 1.50 0.67 -0.26 0.00 0.00 0.00 173.10 174.99 2k8m s ILE 23 N 2.07 4.98 -0.01 0.90 -0.00 -1.24 -0.46 121.20 127.44 2k8m s ILE 23 Ca 0.13 1.27 -0.01 0.00 -0.00 0.00 0.00 60.65 62.04 2k8m s ILE 23 Cb -0.21 -3.98 -0.00 0.00 -0.00 0.00 0.00 42.46 38.26 2k8m s ILE 23 CO 0.01 0.07 0.22 0.40 -0.00 0.00 0.00 174.94 175.65 2k8m h ILE 24 N 5.23 0.00 -2.70 8.37 2.04 -1.33 -3.24 117.51 125.89 2k8m h ILE 24 Ca -0.30 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.54 2k8m h ILE 24 Cb 1.14 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.11 2k8m h ILE 24 CO 0.79 0.00 0.34 0.00 0.00 0.00 0.00 178.15 179.27 2k8m s GLN 25 N -1.53 1.24 0.02 2.37 1.03 -1.17 -2.71 119.66 118.90 2k8m s GLN 25 Ca -0.00 -0.56 0.08 0.00 0.04 0.00 0.00 55.36 54.92 2k8m s GLN 25 Cb 0.00 0.51 -0.02 0.00 0.03 0.00 0.00 33.01 33.52 2k8m s GLN 25 CO 0.01 -0.55 -0.24 0.00 -2.54 0.00 0.00 175.29 171.97 2k8m s ALA 26 N -3.54 2.00 0.16 2.60 0.00 -1.25 -1.61 121.76 120.13 2k8m s ALA 26 Ca 0.06 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 50.99 2k8m s ALA 26 Cb -0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 2k8m s ALA 26 CO -0.06 0.48 -0.17 0.00 0.00 0.00 0.00 175.76 176.01 2k8m s ALA 27 N -0.69 1.87 -0.87 0.00 0.00 -0.29 -3.73 121.76 118.05 2k8m s ALA 27 Ca 0.10 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.55 2k8m s ALA 27 Cb -0.09 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2k8m s ALA 27 CO 0.01 0.18 0.76 0.39 0.00 0.00 0.00 175.76 177.10 2k8m n GLU 28 N 0.30 -5.10 -2.82 0.00 -0.58 -1.25 -2.17 120.64 109.03 2k8m n GLU 28 Ca -0.13 0.54 -0.41 0.00 -0.42 0.00 0.00 57.16 56.74 2k8m n GLU 28 Cb 0.57 -4.69 -0.05 0.00 -0.57 0.00 0.00 31.44 26.71 2k8m n GLU 28 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k8m s LEU 29 N -5.06 4.47 0.95 -4.62 1.43 -1.20 -3.65 118.68 111.00 2k8m s LEU 29 Ca 0.35 1.66 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 2k8m s LEU 29 Cb -0.15 -3.46 0.16 0.00 0.03 0.00 0.00 46.19 42.77 2k8m s LEU 29 CO 0.47 -0.05 1.10 -2.84 0.23 0.00 0.00 176.35 175.27 2k8m s PRO 30 N 0.04 0.80 -0.22 1.29 0.02 -1.26 -4.87 135.00 130.80 2k8m s PRO 30 Ca 0.44 1.19 -0.10 0.00 0.02 0.00 0.00 61.00 62.55 2k8m s PRO 30 Cb -0.22 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 2k8m s PRO 30 CO 0.27 -2.66 0.13 0.00 -0.33 0.00 0.00 177.00 174.41 2k8m s ALA 31 N -2.70 3.61 -0.11 -1.55 0.00 -1.26 -4.71 121.76 115.04 2k8m s ALA 31 Ca 0.66 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 2k8m s ALA 31 Cb -0.21 -2.20 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 2k8m s ALA 31 CO 0.59 -0.00 -0.11 -0.11 0.00 0.00 0.00 175.76 176.13 2k8m n LEU 32 N 3.88 2.63 -4.75 0.00 -0.00 -1.26 -4.98 117.00 112.52 2k8m n LEU 32 Ca -0.16 -0.02 -0.41 0.00 -0.00 0.00 0.00 56.01 55.42 2k8m n LEU 32 Cb 0.52 -0.38 -0.04 0.00 -0.00 0.00 0.00 43.42 43.52 2k8m n LEU 32 CO 0.36 0.61 0.81 -0.62 -0.00 0.00 0.00 177.39 178.54 2k8m s ASP 33 N -5.23 7.24 -0.70 1.96 2.15 -1.26 -4.92 116.67 115.91 2k8m s ASP 33 Ca -0.15 2.24 -0.26 0.00 0.43 0.00 0.00 52.55 54.82 2k8m s ASP 33 Cb 0.04 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 39.98 2k8m s ASP 33 CO 0.24 -0.19 2.12 -0.32 -0.17 0.00 0.00 175.17 176.86 2k8m s MET 34 N -1.14 2.28 0.00 4.34 -2.45 -1.26 -2.23 119.30 118.83 2k8m s MET 34 Ca 0.46 0.52 0.00 0.00 -1.25 0.00 0.00 55.69 55.42 2k8m s MET 34 Cb -0.32 -4.70 0.00 0.00 1.25 0.00 0.00 34.83 31.07 2k8m s MET 34 CO 0.40 -3.38 0.00 0.41 1.05 0.00 0.00 175.02 173.49 2k8m n GLY 35 N 6.31 0.03 0.12 2.11 0.00 -1.26 -4.92 105.19 107.59 2k8m n GLY 35 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 2.62 -0.02 0.00 -0.95 -5.03 105.19 102.44 2k8m n GLY 36 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2k8m n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8m s THR 37 N -2.07 0.57 1.06 2.61 2.01 -1.26 -4.77 115.64 113.79 2k8m s THR 37 Ca 0.00 -1.50 -0.18 0.00 0.31 0.00 0.00 61.69 60.32 2k8m s THR 37 Cb 0.00 -1.43 0.24 0.00 0.01 0.00 0.00 72.50 71.33 2k8m s THR 37 CO 0.00 -0.80 1.29 -0.44 -0.69 0.00 0.00 174.62 173.99 2k8m s SER 38 N 1.40 2.26 -0.72 3.53 0.01 -1.25 -4.39 113.70 114.53 2k8m s SER 38 Ca 0.13 0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.68 2k8m s SER 38 Cb -0.19 -0.26 0.24 0.00 0.21 0.00 0.00 66.02 66.02 2k8m s SER 38 CO -0.18 -3.26 0.79 0.47 0.41 0.00 0.00 173.24 171.46 2k8m n ASP 39 N -4.12 3.97 -4.63 2.44 9.92 -1.26 -0.67 116.55 122.21 2k8m n ASP 39 Ca 0.16 -3.38 -0.41 0.00 -0.53 0.00 0.00 54.79 50.64 2k8m n ASP 39 Cb 0.59 -0.79 -0.06 0.00 -0.64 0.00 0.00 41.12 40.23 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 4.11 -0.02 -0.24 0.05 -1.24 -0.33 135.00 135.09 2k8m s PRO 40 Ca 0.35 0.64 0.07 0.00 0.05 0.00 0.00 61.00 62.11 2k8m s PRO 40 Cb 0.08 -3.66 -0.02 0.00 0.05 0.00 0.00 34.50 30.96 2k8m s PRO 40 CO -0.04 -0.46 -0.23 1.52 0.05 0.00 0.00 177.00 177.85 2k8m s TYR 41 N 2.61 2.03 -0.06 0.56 -0.85 0.86 -4.18 117.35 118.33 2k8m s TYR 41 Ca 0.29 -0.39 -0.22 0.00 -0.52 0.00 0.00 57.07 56.22 2k8m s TYR 41 Cb -0.15 -1.31 -0.04 0.00 0.38 0.00 0.00 41.96 40.84 2k8m s TYR 41 CO 0.08 -0.04 0.64 0.14 -1.52 0.00 0.00 175.55 174.85 2k8m s VAL 42 N -0.51 5.03 -0.07 -3.49 -7.23 -1.26 -0.27 120.40 112.59 2k8m s VAL 42 Ca 0.08 1.32 0.04 0.00 -1.81 0.00 0.00 61.98 61.62 2k8m s VAL 42 Cb -0.09 -3.98 -0.00 0.00 0.56 0.00 0.00 36.38 32.87 2k8m s VAL 42 CO -0.01 0.31 -0.21 -1.59 -0.31 0.00 0.00 175.10 173.29 2k8m s LYS 43 N 0.51 2.41 0.14 4.82 -2.85 0.53 -1.83 119.74 123.48 2k8m s LYS 43 Ca 0.34 -0.75 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 2k8m s LYS 43 Cb -0.17 -1.94 -0.07 0.00 -2.06 0.00 0.00 37.83 33.59 2k8m s LYS 43 CO 0.17 0.22 0.97 0.14 0.10 0.00 0.00 175.35 176.94 2k8m s VAL 44 N 0.20 4.37 0.02 1.79 -7.23 -0.57 -1.70 120.40 117.28 2k8m s VAL 44 Ca -0.11 2.05 0.04 0.00 -1.81 0.00 0.00 61.98 62.15 2k8m s VAL 44 Cb -0.15 -4.31 -0.02 0.00 0.56 0.00 0.00 36.38 32.47 2k8m s VAL 44 CO 0.05 0.35 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.71 2k8m s PHE 45 N -0.27 1.08 0.47 2.82 0.08 -0.19 -4.20 117.98 117.77 2k8m s PHE 45 Ca 0.46 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.24 2k8m s PHE 45 Cb -0.24 -0.66 -0.02 0.00 -0.57 0.00 0.00 43.02 41.53 2k8m s PHE 45 CO 0.31 0.00 0.05 -0.51 -0.10 0.00 0.00 175.22 174.97 2k8m s LEU 46 N -0.80 2.19 0.00 -0.37 2.01 -1.26 -1.35 118.68 119.09 2k8m s LEU 46 Ca 0.02 -1.66 0.00 0.00 0.01 0.00 0.00 54.13 52.50 2k8m s LEU 46 Cb -0.06 -0.50 0.00 0.00 0.01 0.00 0.00 46.19 45.64 2k8m s LEU 46 CO 0.00 -0.88 0.00 0.00 1.01 0.00 0.00 176.35 176.49 2k8m n LEU 47 N -1.13 0.00 0.00 1.79 -0.00 -1.26 -4.77 117.00 111.63 2k8m n LEU 47 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 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 0.37 -0.43 0.39 -2.65 -0.00 0.00 0.00 177.39 175.07 2k8m n PRO 48 N -0.64 0.00 0.01 1.47 -0.02 -1.26 -2.40 135.00 132.16 2k8m n PRO 48 Ca 0.00 0.20 -0.12 0.00 -2.02 0.00 0.00 63.50 61.56 2k8m n PRO 48 Cb 0.00 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.21 -3.41 2.55 3.58 -1.98 -3.45 116.42 112.49 2k8m h ASP 49 Ca 0.00 0.16 -0.20 0.00 0.42 0.00 0.00 57.03 57.41 2k8m h ASP 49 Cb 0.27 0.50 -0.03 0.00 1.72 0.00 0.00 39.33 41.79 2k8m h ASP 49 CO 0.00 -0.41 -0.24 0.29 -2.88 0.00 0.00 179.24 175.99 2k8m n LYS 50 N -5.43 -2.08 -1.06 0.28 4.76 -1.01 -4.81 118.16 108.80 2k8m n LYS 50 Ca -0.04 0.52 -0.16 0.00 -2.87 0.00 0.00 58.31 55.76 2k8m n LYS 50 Cb 0.35 -5.00 0.21 0.00 -1.84 0.00 0.00 35.03 28.76 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 -2.48 2.69 -3.59 1.97 5.02 -1.26 -4.90 118.16 115.61 2k8m n LYS 51 Ca -0.12 -2.79 -0.08 0.00 -2.02 0.00 0.00 58.31 53.31 2k8m n LYS 51 Cb 0.53 -2.11 -0.05 0.00 -0.02 0.00 0.00 35.03 33.38 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 -2.93 0.44 -0.30 1.97 -2.85 -1.26 -4.86 119.74 109.95 2k8m s LYS 52 Ca 0.52 0.10 -0.15 0.00 -1.00 0.00 0.00 55.97 55.44 2k8m s LYS 52 Cb 0.43 0.21 0.18 0.00 -2.06 0.00 0.00 37.83 36.58 2k8m s LYS 52 CO 0.11 -0.14 1.08 0.21 0.10 0.00 0.00 175.35 176.71 2k8m s LYS 53 N -1.12 0.19 -0.03 1.78 2.20 -1.26 -4.73 119.74 116.76 2k8m s LYS 53 Ca 0.01 0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 56.01 2k8m s LYS 53 Cb -0.01 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 2k8m s LYS 53 CO -0.01 -0.13 0.09 0.12 -0.36 0.00 0.00 175.35 175.06 2k8m s PHE 54 N 2.59 -0.09 -0.11 4.03 5.36 -1.26 -5.02 117.98 123.47 2k8m s PHE 54 Ca -0.01 0.25 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 2k8m s PHE 54 Cb -0.07 0.00 -0.01 0.00 -0.34 0.00 0.00 43.02 42.60 2k8m s PHE 54 CO -0.14 -0.06 -0.16 -1.21 -1.46 0.00 0.00 175.22 172.19 2k8m s GLU 55 N 0.23 3.17 0.95 10.12 2.02 -1.26 -1.51 118.70 132.42 2k8m s GLU 55 Ca -0.02 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.10 2k8m s GLU 55 Cb -0.03 -2.51 0.16 0.00 0.10 0.00 0.00 34.13 31.86 2k8m s GLU 55 CO -0.01 0.27 1.15 0.95 0.02 0.00 0.00 175.26 177.64 2k8m s THR 56 N 0.19 1.96 0.23 3.63 -4.23 -0.76 -4.97 115.64 111.68 2k8m s THR 56 Ca -0.09 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.11 2k8m s THR 56 Cb -0.16 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 70.85 2k8m s THR 56 CO 0.06 0.00 1.48 -0.75 -0.54 0.00 0.00 174.62 174.87 2k8m s LYS 57 N -5.34 4.24 -0.22 3.99 2.20 -1.26 -4.82 119.74 118.54 2k8m s LYS 57 Ca 0.66 2.33 -0.32 0.00 -0.36 0.00 0.00 55.97 58.28 2k8m s LYS 57 Cb -0.13 -3.12 -0.09 0.00 -1.51 0.00 0.00 37.83 32.98 2k8m s LYS 57 CO 0.54 -0.49 2.12 1.55 -0.36 0.00 0.00 175.35 178.71 2k8m n VAL 58 N 2.77 0.37 -2.63 4.02 3.14 -1.26 -4.79 118.33 119.96 2k8m n VAL 58 Ca 0.09 -0.30 -0.43 0.00 -2.96 0.00 0.00 64.34 60.74 2k8m n VAL 58 Cb 0.40 -2.09 0.00 0.00 -1.06 0.00 0.00 33.84 31.09 2k8m n VAL 58 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 2k8m n HIS 59 N 9.69 4.47 -1.68 1.45 -0.00 -1.26 -4.97 115.22 122.93 2k8m n HIS 59 Ca 0.31 -3.07 -0.46 0.00 -0.00 0.00 0.00 57.72 54.50 2k8m n HIS 59 Cb 0.34 -2.35 -0.04 0.00 -0.00 0.00 0.00 29.99 27.93 2k8m n HIS 59 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.34 179.23 2k8m n ARG 60 N 6.42 2.38 -3.04 -0.41 -4.01 -1.26 -3.69 116.66 113.05 2k8m n ARG 60 Ca 0.43 0.87 -0.15 0.00 -1.04 0.00 0.00 57.85 57.95 2k8m n ARG 60 Cb 0.43 -2.73 0.02 0.00 -3.04 0.00 0.00 32.46 27.13 2k8m n ARG 60 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22 2k8m n LYS 61 N 6.18 -2.28 -3.48 2.89 4.76 -1.07 -4.97 118.16 120.20 2k8m n LYS 61 Ca 0.21 1.94 -0.12 0.00 -2.87 0.00 0.00 58.31 57.46 2k8m n LYS 61 Cb 0.32 -4.39 -0.03 0.00 -1.84 0.00 0.00 35.03 29.09 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 -2.10 0.00 0.00 -0.18 -1.32 0.16 -4.93 115.64 107.28 2k8m s THR 62 Ca 0.25 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.73 2k8m s THR 62 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2k8m s THR 62 CO 0.76 0.00 0.52 0.18 -2.21 0.00 0.00 174.62 173.87 2k8m n LEU 63 N 0.03 0.91 -2.96 9.08 4.77 -1.26 -3.92 117.00 123.65 2k8m n LEU 63 Ca -0.15 -0.91 -0.13 0.00 -0.03 0.00 0.00 56.01 54.79 2k8m n LEU 63 Cb 0.62 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 2k8m n LEU 63 CO 0.15 0.23 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.21 2k8m n ASN 64 N -0.12 -2.06 -4.58 -1.43 5.15 -1.26 -3.21 115.26 107.74 2k8m n ASN 64 Ca 0.00 -2.87 -0.41 0.00 -0.60 0.00 0.00 54.58 50.70 2k8m n ASN 64 Cb 0.17 0.88 -0.03 0.00 -0.53 0.00 0.00 39.78 40.28 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 0.30 2.96 -0.50 1.20 0.04 -1.24 -4.86 135.00 132.89 2k8m s PRO 65 Ca 0.32 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 2k8m s PRO 65 Cb 0.10 -4.33 0.13 0.00 0.04 0.00 0.00 34.50 30.44 2k8m s PRO 65 CO -0.15 -2.30 0.39 0.14 0.04 0.00 0.00 177.00 175.12 2k8m s VAL 66 N 8.45 4.38 0.00 -0.36 -7.23 -1.26 -3.75 120.40 120.63 2k8m s VAL 66 Ca 0.84 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 2k8m s VAL 66 Cb -0.22 -3.87 0.00 0.00 0.56 0.00 0.00 36.38 32.85 2k8m s VAL 66 CO 0.30 -0.80 0.00 0.49 -0.31 0.00 0.00 175.10 174.78 2k8m n PHE 67 N 4.87 0.00 -3.06 2.82 3.01 -1.24 -5.09 117.46 118.77 2k8m n PHE 67 Ca -0.07 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.38 2k8m n PHE 67 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2k8m n ASN 68 N -1.38 -7.76 -4.92 4.37 5.15 -1.10 -5.01 115.26 104.61 2k8m n ASN 68 Ca 0.00 -0.05 -0.26 0.00 -0.60 0.00 0.00 54.58 53.66 2k8m n ASN 68 Cb 0.00 -5.25 -0.02 0.00 -0.53 0.00 0.00 39.78 33.99 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 -3.02 3.56 -0.09 1.20 2.02 -1.22 -4.91 118.70 116.24 2k8m s GLU 69 Ca 0.01 -0.09 -0.03 0.00 0.02 0.00 0.00 54.97 54.89 2k8m s GLU 69 Cb -0.00 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 2k8m s GLU 69 CO 0.75 0.10 0.04 -1.14 0.02 0.00 0.00 175.26 175.03 2k8m s GLN 70 N -4.09 3.08 -0.07 1.61 -0.44 -1.26 -3.69 119.66 114.79 2k8m s GLN 70 Ca 0.43 -0.36 0.03 0.00 -2.50 0.00 0.00 55.36 52.96 2k8m s GLN 70 Cb -0.10 -2.88 0.01 0.00 -1.64 0.00 0.00 33.01 28.40 2k8m s GLN 70 CO 0.35 0.71 -0.15 0.12 0.50 0.00 0.00 175.29 176.83 2k8m s PHE 71 N -0.94 1.69 -0.60 1.67 5.36 -1.20 -5.04 117.98 118.91 2k8m s PHE 71 Ca 0.14 -0.65 -0.19 0.00 -0.96 0.00 0.00 56.93 55.27 2k8m s PHE 71 Cb -0.12 -1.21 0.10 0.00 -0.34 0.00 0.00 43.02 41.46 2k8m s PHE 71 CO 0.04 -0.31 0.75 0.99 -1.46 0.00 0.00 175.22 175.22 2k8m s THR 72 N 0.61 4.74 -1.28 0.12 2.01 -1.26 -2.72 115.64 117.87 2k8m s THR 72 Ca -0.15 -0.91 -0.19 0.00 0.31 0.00 0.00 61.69 60.76 2k8m s THR 72 Cb -0.16 -4.52 0.06 0.00 0.01 0.00 0.00 72.50 67.88 2k8m s THR 72 CO 0.05 -1.18 1.74 0.12 -0.69 0.00 0.00 174.62 174.65 2k8m s PHE 73 N 2.89 2.72 -0.91 4.92 5.36 -0.76 -4.91 117.98 127.29 2k8m s PHE 73 Ca 0.13 -1.46 -0.25 0.00 -0.96 0.00 0.00 56.93 54.40 2k8m s PHE 73 Cb -0.23 -4.71 -0.06 0.00 -0.34 0.00 0.00 43.02 37.68 2k8m s PHE 73 CO 0.07 -1.78 2.00 0.15 -1.46 0.00 0.00 175.22 174.19 2k8m s LYS 74 N 4.41 2.44 -0.25 10.12 -0.14 -1.26 -1.86 119.74 133.20 2k8m s LYS 74 Ca 0.54 -0.26 -0.09 0.00 -1.36 0.00 0.00 55.97 54.81 2k8m s LYS 74 Cb 0.03 -5.04 0.11 0.00 -1.68 0.00 0.00 37.83 31.25 2k8m s LYS 74 CO 0.07 -3.54 0.53 0.08 -0.76 0.00 0.00 175.35 171.73 2k8m s VAL 75 N 10.70 -0.78 0.51 3.17 1.01 -1.23 -4.95 120.40 128.82 2k8m s VAL 75 Ca 0.72 0.08 -0.23 0.00 0.00 0.00 0.00 61.98 62.56 2k8m s VAL 75 Cb -0.07 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 2k8m s VAL 75 CO 0.01 0.03 1.23 -2.65 0.00 0.00 0.00 175.10 173.73 2k8m n PRO 76 N 5.37 1.61 0.33 2.72 -0.02 -1.25 -4.13 135.00 139.61 2k8m n PRO 76 Ca -0.11 0.59 0.21 0.00 -2.02 0.00 0.00 63.50 62.17 2k8m n PRO 76 Cb 0.50 -2.40 1.14 0.00 -0.02 0.00 0.00 33.50 32.71 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 1.49 0.00 0.00 6.00 -0.00 -1.93 0.14 116.97 122.67 2k8m h TYR 77 Ca -0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.23 2k8m h TYR 77 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.04 2k8m h TYR 77 CO 0.45 0.00 -0.07 0.77 -0.00 0.00 0.00 178.16 179.31 2k8m h SER 78 N 0.00 0.00 -0.05 0.10 0.02 -2.01 -2.83 113.55 108.79 2k8m h SER 78 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k8m h SER 78 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2k8m h SER 78 CO -0.00 0.07 0.00 -0.62 -1.14 0.00 0.00 176.83 175.14 2k8m n GLU 79 N -3.16 1.55 0.26 3.45 1.02 0.45 -4.43 120.64 119.79 2k8m n GLU 79 Ca 0.01 -1.61 0.10 0.00 -0.02 0.00 0.00 57.16 55.65 2k8m n GLU 79 Cb 0.41 -1.35 0.70 0.00 -0.02 0.00 0.00 31.44 31.18 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 3.49 0.00 -2.03 -4.62 6.46 -1.19 -2.00 115.31 115.42 2k8m h LEU 80 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2k8m h LEU 80 Cb 0.75 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.68 2k8m h LEU 80 CO 0.00 0.07 -0.04 1.23 -0.62 0.00 0.00 178.44 179.08 2k8m h GLY 81 N 0.30 0.00 -4.40 3.75 0.00 -1.77 -3.04 103.07 97.91 2k8m h GLY 81 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2k8m h GLY 81 CO 0.01 0.00 -0.92 0.61 0.00 0.00 0.00 176.54 176.24 2k8m n GLY 82 N -0.48 4.71 2.64 4.60 0.00 -0.76 -4.44 105.19 111.46 2k8m n GLY 82 Ca -0.01 -2.11 -0.25 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.64 0.10 -0.27 1.61 2.47 -1.15 -5.08 119.74 113.78 2k8m s LYS 83 Ca 0.42 -0.00 -0.06 0.00 -1.56 0.00 0.00 55.97 54.76 2k8m s LYS 83 Cb 0.38 -1.55 -0.00 0.00 -1.46 0.00 0.00 37.83 35.20 2k8m s LYS 83 CO -0.00 -0.58 0.05 0.99 0.16 0.00 0.00 175.35 175.97 2k8m s THR 84 N 2.12 3.93 0.08 3.43 2.01 -1.26 -3.03 115.64 122.91 2k8m s THR 84 Ca 0.02 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.39 2k8m s THR 84 Cb -0.15 -2.94 -0.06 0.00 0.01 0.00 0.00 72.50 69.36 2k8m s THR 84 CO -0.08 0.21 0.42 -1.48 -0.69 0.00 0.00 174.62 173.00 2k8m s LEU 85 N 1.52 4.36 0.03 4.42 2.34 -1.25 -4.10 118.68 126.01 2k8m s LEU 85 Ca 0.04 0.84 0.05 0.00 0.06 0.00 0.00 54.13 55.13 2k8m s LEU 85 Cb -0.16 -2.98 -0.02 0.00 -0.56 0.00 0.00 46.19 42.47 2k8m s LEU 85 CO 0.02 0.18 -0.16 0.68 -1.06 0.00 0.00 176.35 176.01 2k8m s VAL 86 N -1.37 1.24 -0.26 1.48 -7.23 -0.46 -2.85 120.40 110.95 2k8m s VAL 86 Ca 0.33 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 2k8m s VAL 86 Cb -0.14 -1.10 0.06 0.00 0.56 0.00 0.00 36.38 35.76 2k8m s VAL 86 CO 0.18 0.09 -0.08 -0.32 -0.31 0.00 0.00 175.10 174.65 2k8m s MET 87 N -1.05 2.00 -0.17 4.82 0.00 0.21 -1.02 119.30 124.08 2k8m s MET 87 Ca 0.03 -1.26 -0.07 0.00 0.00 0.00 0.00 55.69 54.40 2k8m s MET 87 Cb -0.08 -2.80 -0.04 0.00 0.00 0.00 0.00 34.83 31.91 2k8m s MET 87 CO 0.01 -0.60 0.07 0.00 0.00 0.00 0.00 175.02 174.50 2k8m s ALA 88 N 1.19 3.45 -0.35 4.11 0.00 -0.69 -2.04 121.76 127.43 2k8m s ALA 88 Ca -0.07 -0.74 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 2k8m s ALA 88 Cb -0.20 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.03 2k8m s ALA 88 CO -0.06 0.26 0.51 0.54 0.00 0.00 0.00 175.76 177.01 2k8m s VAL 89 N 0.13 5.02 -0.09 0.00 0.11 -0.92 -0.34 120.40 124.30 2k8m s VAL 89 Ca 0.05 0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.36 2k8m s VAL 89 Cb -0.12 -3.97 -0.04 0.00 -1.53 0.00 0.00 36.38 30.73 2k8m s VAL 89 CO 0.01 -0.23 0.05 -0.47 -3.33 0.00 0.00 175.10 171.13 2k8m s TYR 90 N 2.38 3.30 0.41 1.54 5.04 0.62 -3.56 117.35 127.09 2k8m s TYR 90 Ca 0.18 0.30 -0.07 0.00 -2.44 0.00 0.00 57.07 55.04 2k8m s TYR 90 Cb -0.16 -1.83 -0.05 0.00 0.35 0.00 0.00 41.96 40.28 2k8m s TYR 90 CO 0.13 0.56 0.72 0.34 -1.34 0.00 0.00 175.55 175.96 2k8m s ASP 91 N -1.01 6.39 -0.35 4.32 2.15 -1.24 -0.10 116.67 126.82 2k8m s ASP 91 Ca 0.15 0.93 0.14 0.00 0.43 0.00 0.00 52.55 54.19 2k8m s ASP 91 Cb -0.12 -2.24 0.40 0.00 -0.30 0.00 0.00 42.92 40.66 2k8m s ASP 91 CO 0.04 -0.43 0.86 0.33 -0.17 0.00 0.00 175.17 175.80 2k8m n PHE 92 N -1.65 0.37 0.15 -5.34 7.35 0.55 -4.78 117.46 114.11 2k8m n PHE 92 Ca 0.00 -3.27 0.10 0.00 -0.76 0.00 0.00 57.45 53.53 2k8m n PHE 92 Cb 0.55 -0.26 0.55 0.00 0.35 0.00 0.00 39.48 40.67 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 0.11 0.53 -1.40 -2.13 5.75 -1.26 -4.63 116.55 113.52 2k8m n ASP 93 Ca 0.17 0.75 -0.15 0.00 -0.01 0.00 0.00 54.79 55.54 2k8m n ASP 93 Cb 0.73 -0.81 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 2k8m n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2k8m n ARG 94 N -2.21 -1.12 0.01 0.11 3.00 -1.26 -4.75 116.66 110.45 2k8m n ARG 94 Ca -0.01 0.91 0.00 0.00 -0.01 0.00 0.00 57.85 58.73 2k8m n ARG 94 Cb 0.04 -5.13 0.00 0.00 0.00 0.00 0.00 32.46 27.37 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 -3.17 -0.92 -1.70 -1.55 7.35 -1.26 -5.13 117.46 111.06 2k8m n PHE 95 Ca -0.16 0.07 -0.29 0.00 -0.76 0.00 0.00 57.45 56.30 2k8m n PHE 95 Cb 0.55 0.59 0.15 0.00 0.35 0.00 0.00 39.48 41.13 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 -3.22 3.31 -1.05 -2.13 0.01 -1.26 -4.92 113.70 104.44 2k8m s SER 96 Ca 0.00 0.64 -0.22 0.00 1.31 0.00 0.00 55.95 57.68 2k8m s SER 96 Cb 0.00 -0.98 0.04 0.00 0.21 0.00 0.00 66.02 65.29 2k8m s SER 96 CO 0.00 -2.64 1.53 -0.54 0.41 0.00 0.00 173.24 172.00 2k8m s LYS 97 N -5.57 3.57 0.30 12.44 -0.14 -1.26 -4.86 119.74 124.21 2k8m s LYS 97 Ca 0.68 -1.19 -0.30 0.00 -1.36 0.00 0.00 55.97 53.80 2k8m s LYS 97 Cb -0.10 -5.37 -0.12 0.00 -1.68 0.00 0.00 37.83 30.57 2k8m s LYS 97 CO 0.52 -2.31 1.43 -2.39 -0.76 0.00 0.00 175.35 171.84 2k8m n HIS 98 N 9.21 2.47 -4.55 3.18 -0.00 -1.26 -5.01 115.22 119.27 2k8m n HIS 98 Ca 0.36 0.43 -0.29 0.00 -0.00 0.00 0.00 57.72 58.22 2k8m n HIS 98 Cb 0.50 -2.49 -0.09 0.00 -0.00 0.00 0.00 29.99 27.91 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2k8m s ASP 99 N 0.11 4.09 -0.47 4.39 -1.08 -1.26 -4.89 116.67 117.55 2k8m s ASP 99 Ca 0.61 -1.41 -0.23 0.00 -0.52 0.00 0.00 52.55 51.01 2k8m s ASP 99 Cb -0.56 -0.08 0.03 0.00 -1.46 0.00 0.00 42.92 40.85 2k8m s ASP 99 CO 0.55 -0.63 0.78 -0.63 0.52 0.00 0.00 175.17 175.76 2k8m s ILE 100 N -2.75 4.64 0.36 4.11 1.01 -1.26 -3.72 121.20 123.59 2k8m s ILE 100 Ca 0.27 0.30 0.27 0.00 0.00 0.00 0.00 60.65 61.48 2k8m s ILE 100 Cb 0.06 -4.34 0.28 0.00 0.01 0.00 0.00 42.46 38.46 2k8m s ILE 100 CO 0.14 -0.77 2.02 0.16 0.00 0.00 0.00 174.94 176.49 2k8m h ILE 101 N 5.97 0.57 0.00 2.92 -2.65 -1.85 -3.36 117.51 119.10 2k8m h ILE 101 Ca -0.25 -0.67 0.00 0.00 1.03 0.00 0.00 64.86 64.97 2k8m h ILE 101 Cb 1.09 1.44 0.00 0.00 -2.05 0.00 0.00 36.82 37.29 2k8m h ILE 101 CO 0.97 0.14 0.00 0.61 0.03 0.00 0.00 178.15 179.90 2k8m n GLY 102 N -0.50 -0.39 3.79 0.16 0.00 -1.26 -3.35 105.19 103.64 2k8m n GLY 102 Ca -0.01 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 44.86 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 1.36 0.01 1.61 -1.05 -0.67 -2.17 118.70 115.79 2k8m s GLU 103 Ca 0.00 -0.78 -0.03 0.00 -0.15 0.00 0.00 54.97 54.01 2k8m s GLU 103 Cb 0.00 0.45 -0.01 0.00 -0.44 0.00 0.00 34.13 34.13 2k8m s GLU 103 CO 0.00 -0.63 0.05 -0.59 0.95 0.00 0.00 175.26 175.05 2k8m s PHE 104 N -3.19 0.12 0.03 4.83 -0.71 -0.86 -3.82 117.98 114.37 2k8m s PHE 104 Ca 0.13 -0.25 -0.08 0.00 -1.04 0.00 0.00 56.93 55.69 2k8m s PHE 104 Cb -0.02 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.69 2k8m s PHE 104 CO 0.04 -0.20 0.17 -1.59 -1.34 0.00 0.00 175.22 172.29 2k8m s LYS 105 N -1.18 0.62 -0.19 1.99 0.00 -1.26 -0.62 119.74 119.09 2k8m s LYS 105 Ca -0.13 -0.57 -0.10 0.00 0.00 0.00 0.00 55.97 55.18 2k8m s LYS 105 Cb -0.07 0.26 0.07 0.00 0.00 0.00 0.00 37.83 38.08 2k8m s LYS 105 CO 0.00 -0.17 0.45 0.54 0.00 0.00 0.00 175.35 176.18 2k8m s VAL 106 N -2.19 -0.14 -0.03 1.79 0.11 -1.13 -5.03 120.40 113.78 2k8m s VAL 106 Ca -0.08 0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.76 2k8m s VAL 106 Cb -0.03 -0.68 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 2k8m s VAL 106 CO -0.02 0.04 1.69 -2.16 -3.33 0.00 0.00 175.10 171.32 2k8m s PRO 107 N 1.65 4.18 0.15 1.54 0.04 -1.26 -3.74 135.00 137.55 2k8m s PRO 107 Ca -0.08 2.26 0.19 0.00 0.04 0.00 0.00 61.00 63.41 2k8m s PRO 107 Cb -0.09 -3.96 0.81 0.00 0.04 0.00 0.00 34.50 31.30 2k8m s PRO 107 CO -0.14 -0.84 1.58 -1.33 0.04 0.00 0.00 177.00 176.31 2k8m n MET 108 N 6.98 0.11 0.24 4.56 2.81 -1.17 -1.92 117.12 128.73 2k8m n MET 108 Ca 0.17 0.36 0.12 0.00 -1.81 0.00 0.00 57.70 56.55 2k8m n MET 108 Cb 0.42 -1.71 0.55 0.00 -0.71 0.00 0.00 33.22 31.77 2k8m n MET 108 CO 0.00 0.00 0.00 -0.97 1.51 0.00 0.00 175.97 176.51 2k8m h ASN 109 N 0.00 0.00 0.33 7.83 -1.24 -1.77 -2.90 115.58 117.83 2k8m h ASN 109 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.75 2k8m h ASN 109 Cb 0.29 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.29 2k8m h ASN 109 CO 0.00 0.16 -1.90 0.41 -1.29 0.00 0.00 177.43 174.81 2k8m n THR 110 N -3.34 1.30 -2.99 -3.57 -1.04 -0.81 -4.86 114.28 98.96 2k8m n THR 110 Ca -0.00 -0.77 -0.41 0.00 -2.04 0.00 0.00 64.05 60.83 2k8m n THR 110 Cb 0.37 -0.68 -0.05 0.00 -1.82 0.00 0.00 70.33 68.16 2k8m n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k8m s VAL 111 N -2.72 4.89 0.67 12.58 1.01 -1.10 -5.05 120.40 130.69 2k8m s VAL 111 Ca -0.06 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.10 2k8m s VAL 111 Cb 0.08 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2k8m s VAL 111 CO 0.83 -0.07 1.06 1.51 0.00 0.00 0.00 175.10 178.44 2k8m s ASP 112 N 1.45 5.42 -0.24 3.32 -4.77 -1.26 -4.86 116.67 115.73 2k8m s ASP 112 Ca 0.31 1.70 0.10 0.00 -3.30 0.00 0.00 52.55 51.36 2k8m s ASP 112 Cb -0.15 -2.51 0.44 0.00 -1.09 0.00 0.00 42.92 39.61 2k8m s ASP 112 CO 0.09 -1.42 1.20 2.22 0.70 0.00 0.00 175.17 177.96 2k8m n PHE 113 N -2.82 1.19 -0.21 2.11 1.16 -1.26 -4.78 117.46 112.86 2k8m n PHE 113 Ca 0.08 -1.78 -0.09 0.00 -1.87 0.00 0.00 57.45 53.78 2k8m n PHE 113 Cb 0.53 -0.28 0.02 0.00 -1.61 0.00 0.00 39.48 38.14 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2k8m h GLY 114 N 1.55 1.15 0.00 4.97 0.00 -2.00 -3.47 103.07 105.26 2k8m h GLY 114 Ca 0.14 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.61 2k8m h GLY 114 CO 0.33 0.79 0.00 1.42 0.00 0.00 0.00 176.54 179.08 2k8m n HIS 115 N -4.18 0.00 -3.99 5.60 8.25 -1.26 -5.12 115.22 114.51 2k8m n HIS 115 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 2k8m n HIS 115 Cb 0.36 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.32 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 3.12 2.80 -0.94 1.59 -7.23 -1.26 -4.47 120.40 114.01 2k8m s VAL 116 Ca 0.00 -0.74 -0.20 0.00 -1.81 0.00 0.00 61.98 59.23 2k8m s VAL 116 Cb 0.00 -2.27 0.11 0.00 0.56 0.00 0.00 36.38 34.79 2k8m s VAL 116 CO 0.00 0.43 1.19 -0.89 -0.31 0.00 0.00 175.10 175.52 2k8m s THR 117 N 1.38 4.57 -0.37 5.32 2.01 -0.46 -4.87 115.64 123.22 2k8m s THR 117 Ca 0.05 -1.41 -0.13 0.00 0.31 0.00 0.00 61.69 60.51 2k8m s THR 117 Cb -0.14 -4.83 0.01 0.00 0.01 0.00 0.00 72.50 67.55 2k8m s THR 117 CO -0.07 -1.59 0.25 -1.61 -0.69 0.00 0.00 174.62 170.91 2k8m s GLU 118 N 3.13 3.13 0.28 4.92 2.02 -1.26 -1.08 118.70 129.84 2k8m s GLU 118 Ca 0.35 -0.89 -0.06 0.00 0.02 0.00 0.00 54.97 54.39 2k8m s GLU 118 Cb -0.04 -3.85 -0.01 0.00 0.10 0.00 0.00 34.13 30.33 2k8m s GLU 118 CO -0.09 -0.62 0.41 -1.83 0.02 0.00 0.00 175.26 173.15 2k8m s GLU 119 N 1.66 1.66 -0.53 1.61 -1.05 -0.88 -5.01 118.70 116.16 2k8m s GLU 119 Ca 0.05 -1.57 -0.02 0.00 -0.15 0.00 0.00 54.97 53.28 2k8m s GLU 119 Cb -0.18 0.42 0.14 0.00 -0.44 0.00 0.00 34.13 34.06 2k8m s GLU 119 CO 0.09 -0.67 0.33 -1.58 0.95 0.00 0.00 175.26 174.39 2k8m s TRP 120 N -3.59 3.48 0.24 4.83 0.52 -1.26 -2.11 118.94 121.04 2k8m s TRP 120 Ca 0.29 -2.62 -0.30 0.00 0.02 0.00 0.00 56.10 53.50 2k8m s TRP 120 Cb 0.01 -3.19 -0.09 0.00 -1.15 0.00 0.00 33.47 29.05 2k8m s TRP 120 CO 0.15 -0.89 1.08 0.50 0.02 0.00 0.00 176.95 177.81 2k8m s ARG 121 N 0.43 4.65 0.13 4.98 6.06 -0.09 -4.82 118.95 130.29 2k8m s ARG 121 Ca 0.13 1.74 -0.30 0.00 -2.50 0.00 0.00 55.73 54.80 2k8m s ARG 121 Cb -0.22 -3.23 -0.06 0.00 0.06 0.00 0.00 34.95 31.50 2k8m s ARG 121 CO -0.04 0.20 0.98 0.16 -2.50 0.00 0.00 175.30 174.10 2k8m s ASP 122 N -0.64 7.48 0.05 -2.12 -4.77 -1.26 -0.47 116.67 114.93 2k8m s ASP 122 Ca 0.46 1.86 -0.12 0.00 -3.30 0.00 0.00 52.55 51.44 2k8m s ASP 122 Cb -0.30 -2.59 -0.06 0.00 -1.09 0.00 0.00 42.92 38.87 2k8m s ASP 122 CO 0.38 -0.07 0.42 -0.76 0.70 0.00 0.00 175.17 175.84 2k8m s LEU 123 N -0.17 4.40 0.04 2.11 1.43 0.34 -4.88 118.68 121.96 2k8m s LEU 123 Ca 0.47 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.49 2k8m s LEU 123 Cb -0.25 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 2k8m s LEU 123 CO 0.31 0.23 -0.09 0.00 0.23 0.00 0.00 176.35 177.03 2k8m s GLN 124 N -1.56 0.57 0.31 1.70 -2.07 -1.25 -2.52 119.66 114.84 2k8m s GLN 124 Ca 0.30 -0.77 -0.29 0.00 -1.82 0.00 0.00 55.36 52.78 2k8m s GLN 124 Cb -0.15 -0.38 -0.10 0.00 -1.09 0.00 0.00 33.01 31.29 2k8m s GLN 124 CO 0.16 0.07 1.22 -1.12 -1.32 0.00 0.00 175.29 174.30 2k8m s SER 125 N -1.55 6.98 -0.44 12.60 0.01 -1.24 -1.66 113.70 128.40 2k8m s SER 125 Ca -0.08 2.51 0.05 0.00 1.31 0.00 0.00 55.95 59.73 2k8m s SER 125 Cb -0.10 -2.64 0.18 0.00 0.21 0.00 0.00 66.02 63.67 2k8m s SER 125 CO 0.01 -0.37 0.46 0.00 0.41 0.00 0.00 173.24 173.75 2k8m s ALA 126 N -1.15 0.18 -0.16 1.44 0.00 -1.21 -4.80 121.76 116.06 2k8m s ALA 126 Ca 0.47 -1.73 -0.29 0.00 0.00 0.00 0.00 51.96 50.41 2k8m s ALA 126 Cb -0.36 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.74 2k8m s ALA 126 CO 0.48 -2.07 1.70 -1.21 0.00 0.00 0.00 175.76 174.66 2k8m s GLU 127 N 0.40 3.87 0.00 0.00 2.02 -1.26 -4.48 118.70 119.25 2k8m s GLU 127 Ca 0.31 1.90 0.17 0.00 0.02 0.00 0.00 54.97 57.37 2k8m s GLU 127 Cb 0.01 -4.06 0.13 0.00 0.10 0.00 0.00 34.13 30.32 2k8m s GLU 127 CO -0.14 -1.22 1.03 1.63 0.02 0.00 0.00 175.26 176.58