#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8m s LYS 2 N 0.00 0.32 -0.01 3.49 -2.85 -1.26 -4.68 119.74 114.75 2k8m s LYS 2 Ca 0.00 0.35 0.06 0.00 -1.00 0.00 0.00 55.97 55.38 2k8m s LYS 2 Cb 0.00 -0.63 -0.08 0.00 -2.06 0.00 0.00 37.83 35.05 2k8m s LYS 2 CO 0.00 -0.73 0.18 -0.11 0.10 0.00 0.00 175.35 174.80 2k8m n LEU 3 N 5.35 0.11 0.00 2.77 7.94 -0.12 -4.62 117.00 128.43 2k8m n LEU 3 Ca -0.03 -0.20 0.00 0.00 -1.11 0.00 0.00 56.01 54.67 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 0.05 0.03 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 2k8m n GLY 4 N 1.75 0.36 2.94 -3.96 0.00 -1.21 -4.04 105.19 101.03 2k8m n GLY 4 Ca -0.00 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.30 0.22 -0.04 1.61 1.02 -1.04 -0.28 119.74 120.93 2k8m s LYS 5 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2k8m s LYS 5 Cb 0.00 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.23 2k8m s LYS 5 CO 0.00 0.01 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.15 2k8m s LEU 6 N -0.57 1.81 -0.14 3.17 0.20 -0.26 -1.00 118.68 121.88 2k8m s LEU 6 Ca -0.05 -0.27 -0.06 0.00 0.69 0.00 0.00 54.13 54.44 2k8m s LEU 6 Cb -0.04 -0.76 -0.04 0.00 -0.43 0.00 0.00 46.19 44.92 2k8m s LEU 6 CO -0.00 0.09 0.08 0.00 -0.29 0.00 0.00 176.35 176.23 2k8m s GLN 7 N 0.22 3.59 0.10 1.98 0.00 -0.76 -0.74 119.66 124.04 2k8m s GLN 7 Ca -0.05 -0.28 -0.14 0.00 -0.00 0.00 0.00 55.36 54.89 2k8m s GLN 7 Cb -0.11 -3.12 0.02 0.00 0.00 0.00 0.00 33.01 29.80 2k8m s GLN 7 CO 0.02 0.54 0.33 1.52 0.00 0.00 0.00 175.29 177.69 2k8m s TYR 8 N -0.38 -0.09 -0.21 9.60 1.13 -1.04 -0.49 117.35 125.87 2k8m s TYR 8 Ca 0.10 -0.21 0.01 0.00 -1.41 0.00 0.00 57.07 55.55 2k8m s TYR 8 Cb -0.12 0.14 0.05 0.00 -1.10 0.00 0.00 41.96 40.93 2k8m s TYR 8 CO 0.02 -0.62 -0.09 -1.54 -2.51 0.00 0.00 175.55 170.80 2k8m s SER 9 N -2.66 3.60 -0.18 -0.18 1.04 0.43 -2.41 113.70 113.34 2k8m s SER 9 Ca 0.02 -1.00 -0.19 0.00 0.48 0.00 0.00 55.95 55.25 2k8m s SER 9 Cb 0.02 -1.26 -0.03 0.00 0.10 0.00 0.00 66.02 64.85 2k8m s SER 9 CO -0.10 -0.17 0.56 -0.76 0.98 0.00 0.00 173.24 173.75 2k8m s LEU 10 N 1.37 4.18 0.03 2.42 1.43 0.06 -1.74 118.68 126.42 2k8m s LEU 10 Ca -0.03 0.78 0.08 0.00 -1.03 0.00 0.00 54.13 53.93 2k8m s LEU 10 Cb -0.17 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 2k8m s LEU 10 CO -0.07 -0.17 -0.22 -0.62 0.23 0.00 0.00 176.35 175.49 2k8m s ASP 11 N 1.05 2.64 -0.07 2.29 2.15 -0.56 -0.37 116.67 123.80 2k8m s ASP 11 Ca 0.27 -0.50 0.03 0.00 0.43 0.00 0.00 52.55 52.77 2k8m s ASP 11 Cb -0.16 -0.24 -0.02 0.00 -0.30 0.00 0.00 42.92 42.20 2k8m s ASP 11 CO 0.10 0.21 -0.15 -0.72 -0.17 0.00 0.00 175.17 174.44 2k8m s TYR 12 N -0.73 2.70 -0.09 -5.34 1.13 -1.25 0.38 117.35 114.15 2k8m s TYR 12 Ca 0.09 -0.35 0.01 0.00 -1.41 0.00 0.00 57.07 55.41 2k8m s TYR 12 Cb -0.09 -1.68 -0.02 0.00 -1.10 0.00 0.00 41.96 39.06 2k8m s TYR 12 CO 0.01 0.04 -0.11 0.34 -2.51 0.00 0.00 175.55 173.32 2k8m s ASP 13 N -0.38 4.26 -0.08 -0.18 -1.08 -0.38 -4.96 116.67 113.88 2k8m s ASP 13 Ca 0.04 -0.19 0.11 0.00 -0.52 0.00 0.00 52.55 51.99 2k8m s ASP 13 Cb -0.12 -1.28 0.22 0.00 -1.46 0.00 0.00 42.92 40.27 2k8m s ASP 13 CO 0.02 0.27 1.15 2.22 0.52 0.00 0.00 175.17 179.35 2k8m n PHE 14 N 2.83 0.18 -0.11 -5.34 1.16 -1.26 -2.91 117.46 112.01 2k8m n PHE 14 Ca -0.18 -0.75 -0.16 0.00 -1.87 0.00 0.00 57.45 54.50 2k8m n PHE 14 Cb 0.53 -0.12 -0.13 0.00 -1.61 0.00 0.00 39.48 38.14 2k8m n PHE 14 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2k8m n GLN 15 N -0.76 0.67 0.00 3.97 10.64 -1.26 -4.57 117.38 126.07 2k8m n GLN 15 Ca 0.11 0.12 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 2k8m n GLN 15 Cb 0.51 -1.54 0.00 0.00 -0.86 0.00 0.00 30.24 28.35 2k8m n GLN 15 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2k8m n ASN 16 N -3.13 1.01 -2.72 2.61 0.23 -1.26 -5.07 115.26 106.93 2k8m n ASN 16 Ca -0.41 -1.28 -0.03 0.00 -0.53 0.00 0.00 54.58 52.33 2k8m n ASN 16 Cb 1.04 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.74 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 -0.14 -7.75 -3.60 0.53 3.02 -1.24 -4.91 115.26 101.17 2k8m n ASN 17 Ca 0.00 1.01 -0.12 0.00 -0.03 0.00 0.00 54.58 55.44 2k8m n ASN 17 Cb 0.16 -5.18 -0.06 0.00 -0.61 0.00 0.00 39.78 34.08 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 -1.98 0.72 -0.21 3.52 1.03 -1.15 -3.20 119.66 118.40 2k8m s GLN 18 Ca 0.10 0.53 -0.12 0.00 0.04 0.00 0.00 55.36 55.91 2k8m s GLN 18 Cb -0.03 0.34 -0.05 0.00 0.03 0.00 0.00 33.01 33.31 2k8m s GLN 18 CO 0.75 -0.15 0.23 -0.51 -2.54 0.00 0.00 175.29 173.06 2k8m s LEU 19 N -0.32 4.17 -0.61 2.60 1.43 -0.78 -1.25 118.68 123.93 2k8m s LEU 19 Ca -0.02 0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 53.18 2k8m s LEU 19 Cb -0.03 -2.23 0.09 0.00 0.03 0.00 0.00 46.19 44.05 2k8m s LEU 19 CO 0.01 0.07 0.77 -0.22 0.23 0.00 0.00 176.35 177.21 2k8m s LEU 20 N 0.82 5.13 -0.95 1.79 1.98 0.16 -1.52 118.68 126.09 2k8m s LEU 20 Ca 0.12 -1.31 -0.19 0.00 -2.89 0.00 0.00 54.13 49.85 2k8m s LEU 20 Cb -0.13 -2.34 0.12 0.00 0.66 0.00 0.00 46.19 44.50 2k8m s LEU 20 CO 0.03 -1.19 1.19 -0.69 -1.89 0.00 0.00 176.35 173.80 2k8m s VAL 21 N 3.03 4.58 -0.98 1.68 1.01 -1.10 -1.50 120.40 127.12 2k8m s VAL 21 Ca 0.14 -1.43 -0.20 0.00 0.00 0.00 0.00 61.98 60.49 2k8m s VAL 21 Cb -0.22 -4.83 0.11 0.00 0.00 0.00 0.00 36.38 31.43 2k8m s VAL 21 CO 0.07 -1.59 1.26 -0.83 0.00 0.00 0.00 175.10 174.02 2k8m s GLY 22 N 3.88 1.75 -0.23 4.51 0.00 -0.71 -3.60 107.32 112.92 2k8m s GLY 22 Ca 0.35 -2.66 -0.29 0.00 0.00 0.00 0.00 44.72 42.12 2k8m s GLY 22 CO -0.10 2.23 1.15 -0.26 0.00 0.00 0.00 173.10 176.12 2k8m s ILE 23 N 3.34 4.46 -0.01 0.90 -0.00 -1.25 -0.43 121.20 128.21 2k8m s ILE 23 Ca 0.38 1.74 -0.06 0.00 -0.00 0.00 0.00 60.65 62.71 2k8m s ILE 23 Cb -0.03 -4.21 -0.04 0.00 -0.00 0.00 0.00 42.46 38.18 2k8m s ILE 23 CO -0.09 -0.25 0.57 0.40 -0.00 0.00 0.00 174.94 175.57 2k8m h ILE 24 N 5.57 0.00 -1.82 8.37 2.04 -1.14 -3.32 117.51 127.22 2k8m h ILE 24 Ca -0.22 -0.18 0.20 0.00 1.00 0.00 0.00 64.86 65.65 2k8m h ILE 24 Cb 1.08 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.99 2k8m h ILE 24 CO 0.99 0.00 0.68 0.00 0.00 0.00 0.00 178.15 179.82 2k8m s GLN 25 N -2.56 0.54 0.04 2.37 1.03 -1.15 -3.09 119.66 116.84 2k8m s GLN 25 Ca -0.03 -0.21 0.05 0.00 0.04 0.00 0.00 55.36 55.21 2k8m s GLN 25 Cb 0.00 0.24 -0.03 0.00 0.03 0.00 0.00 33.01 33.25 2k8m s GLN 25 CO 0.10 -0.24 -0.10 0.00 -2.54 0.00 0.00 175.29 172.51 2k8m s ALA 26 N -2.72 2.91 0.07 2.60 0.00 -1.24 -1.84 121.76 121.55 2k8m s ALA 26 Ca 0.08 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.97 2k8m s ALA 26 Cb -0.01 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 2k8m s ALA 26 CO -0.06 0.61 -0.13 0.00 0.00 0.00 0.00 175.76 176.19 2k8m s ALA 27 N -1.04 1.11 -1.06 0.00 0.00 -0.17 -3.60 121.76 116.99 2k8m s ALA 27 Ca 0.18 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 2k8m s ALA 27 Cb -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2k8m s ALA 27 CO 0.09 0.11 0.90 0.39 0.00 0.00 0.00 175.76 177.25 2k8m n GLU 28 N 1.14 -6.03 -2.74 0.00 1.02 -1.17 -2.50 120.64 110.36 2k8m n GLU 28 Ca -0.20 0.70 -0.39 0.00 -0.02 0.00 0.00 57.16 57.25 2k8m n GLU 28 Cb 0.55 -5.32 -0.06 0.00 -0.02 0.00 0.00 31.44 26.58 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 -5.92 4.52 0.70 -4.62 1.43 -1.09 -4.13 118.68 109.57 2k8m s LEU 29 Ca 0.21 1.92 -0.16 0.00 -1.03 0.00 0.00 54.13 55.08 2k8m s LEU 29 Cb -0.09 -3.78 0.02 0.00 0.03 0.00 0.00 46.19 42.37 2k8m s LEU 29 CO 0.61 0.05 1.20 -2.84 0.23 0.00 0.00 176.35 175.60 2k8m s PRO 30 N -1.55 2.35 -0.17 1.29 0.02 -1.26 -4.86 135.00 130.82 2k8m s PRO 30 Ca 0.45 1.75 -0.21 0.00 0.02 0.00 0.00 61.00 63.02 2k8m s PRO 30 Cb -0.23 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.40 2k8m s PRO 30 CO 0.29 -1.67 0.61 0.00 -0.33 0.00 0.00 177.00 175.90 2k8m s ALA 31 N -1.93 3.50 -0.12 -1.55 0.00 -1.26 -4.71 121.76 115.69 2k8m s ALA 31 Ca 0.75 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.43 2k8m s ALA 31 Cb -0.29 -2.91 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2k8m s ALA 31 CO 0.43 -0.41 -0.17 -0.11 0.00 0.00 0.00 175.76 175.50 2k8m n LEU 32 N 4.66 0.97 -4.76 0.00 -0.00 -1.14 -4.91 117.00 111.82 2k8m n LEU 32 Ca -0.02 0.17 -0.35 0.00 -0.00 0.00 0.00 56.01 55.80 2k8m n LEU 32 Cb 0.50 -0.40 0.02 0.00 -0.00 0.00 0.00 43.42 43.54 2k8m n LEU 32 CO 0.44 0.20 0.81 -0.62 -0.00 0.00 0.00 177.39 178.22 2k8m s ASP 33 N -6.16 5.49 -0.14 1.96 2.15 0.17 -4.93 116.67 115.22 2k8m s ASP 33 Ca -0.18 2.27 -0.29 0.00 0.43 0.00 0.00 52.55 54.78 2k8m s ASP 33 Cb 0.07 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 2k8m s ASP 33 CO 0.23 -1.38 1.59 -0.32 -0.17 0.00 0.00 175.17 175.11 2k8m s MET 34 N -3.30 4.03 0.00 4.34 -2.45 -1.26 -3.60 119.30 117.05 2k8m s MET 34 Ca 0.75 1.90 0.00 0.00 -1.25 0.00 0.00 55.69 57.09 2k8m s MET 34 Cb -0.27 -3.98 0.00 0.00 1.25 0.00 0.00 34.83 31.84 2k8m s MET 34 CO 0.30 -1.01 0.00 0.41 1.05 0.00 0.00 175.02 175.76 2k8m n GLY 35 N 4.28 1.51 3.54 2.11 0.00 -1.26 -4.78 105.19 110.58 2k8m n GLY 35 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.46 3.55 -0.02 0.00 -1.25 -4.99 105.19 102.02 2k8m n GLY 36 Ca 0.00 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.35 0.02 0.21 2.61 -4.23 -1.24 -4.96 115.64 104.71 2k8m s THR 37 Ca 0.32 -0.77 -0.10 0.00 -1.18 0.00 0.00 61.69 59.96 2k8m s THR 37 Cb -0.14 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 2k8m s THR 37 CO 0.74 -0.09 0.38 -0.44 -0.54 0.00 0.00 174.62 174.66 2k8m s SER 38 N -2.88 -0.03 -0.66 3.99 0.01 -1.25 -0.66 113.70 112.23 2k8m s SER 38 Ca 0.09 -0.94 0.05 0.00 1.31 0.00 0.00 55.95 56.47 2k8m s SER 38 Cb -0.01 0.51 0.26 0.00 0.21 0.00 0.00 66.02 66.99 2k8m s SER 38 CO -0.02 -1.02 0.80 0.47 0.41 0.00 0.00 173.24 173.88 2k8m n ASP 39 N -0.31 3.95 -4.67 2.44 9.92 -1.26 -0.03 116.55 126.59 2k8m n ASP 39 Ca -0.04 -3.47 -0.40 0.00 -0.53 0.00 0.00 54.79 50.36 2k8m n ASP 39 Cb 0.63 -0.69 -0.06 0.00 -0.64 0.00 0.00 41.12 40.36 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 -2.58 4.23 -0.03 -0.24 0.04 -1.23 -0.57 135.00 134.63 2k8m s PRO 40 Ca 0.40 0.63 0.03 0.00 0.04 0.00 0.00 61.00 62.10 2k8m s PRO 40 Cb 0.15 -3.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 2k8m s PRO 40 CO -0.01 -0.20 -0.12 1.52 0.04 0.00 0.00 177.00 178.23 2k8m s TYR 41 N 1.76 1.23 0.01 0.56 1.13 0.95 -4.19 117.35 118.80 2k8m s TYR 41 Ca 0.29 -0.31 -0.26 0.00 -1.41 0.00 0.00 57.07 55.38 2k8m s TYR 41 Cb -0.16 -0.84 -0.04 0.00 -1.10 0.00 0.00 41.96 39.82 2k8m s TYR 41 CO 0.11 -0.10 0.81 0.14 -2.51 0.00 0.00 175.55 173.99 2k8m s VAL 42 N 0.05 4.83 -0.13 -3.49 -7.23 -1.26 -0.68 120.40 112.49 2k8m s VAL 42 Ca -0.02 1.71 0.01 0.00 -1.81 0.00 0.00 61.98 61.87 2k8m s VAL 42 Cb -0.09 -4.15 0.02 0.00 0.56 0.00 0.00 36.38 32.71 2k8m s VAL 42 CO 0.01 0.29 -0.16 -1.59 -0.31 0.00 0.00 175.10 173.33 2k8m s LYS 43 N 0.41 2.39 0.17 4.82 -2.85 0.61 -1.70 119.74 123.59 2k8m s LYS 43 Ca 0.42 -0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 54.47 2k8m s LYS 43 Cb -0.20 -2.07 -0.08 0.00 -2.06 0.00 0.00 37.83 33.42 2k8m s LYS 43 CO 0.23 -0.12 1.25 0.14 0.10 0.00 0.00 175.35 176.95 2k8m s VAL 44 N 1.15 3.49 -0.02 1.79 -7.23 -0.79 -2.52 120.40 116.26 2k8m s VAL 44 Ca -0.02 1.21 0.05 0.00 -1.81 0.00 0.00 61.98 61.41 2k8m s VAL 44 Cb -0.14 -3.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.02 2k8m s VAL 44 CO -0.05 0.17 -0.18 -0.36 -0.31 0.00 0.00 175.10 174.37 2k8m s PHE 45 N 0.20 1.68 0.42 2.82 0.08 -0.27 -4.26 117.98 118.65 2k8m s PHE 45 Ca 0.55 -0.35 0.06 0.00 0.12 0.00 0.00 56.93 57.31 2k8m s PHE 45 Cb -0.34 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 40.95 2k8m s PHE 45 CO 0.36 -0.06 0.01 -0.51 -0.10 0.00 0.00 175.22 174.92 2k8m s LEU 46 N -0.33 2.78 0.00 -0.37 2.01 -1.26 -0.94 118.68 120.56 2k8m s LEU 46 Ca 0.05 -1.41 0.00 0.00 0.01 0.00 0.00 54.13 52.78 2k8m s LEU 46 Cb -0.08 -0.86 0.00 0.00 0.01 0.00 0.00 46.19 45.26 2k8m s LEU 46 CO -0.00 -0.51 0.00 0.00 1.01 0.00 0.00 176.35 176.85 2k8m n LEU 47 N -1.00 0.00 0.00 1.79 -0.00 -1.23 -4.77 117.00 111.78 2k8m n LEU 47 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2k8m n LEU 47 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.09 2k8m n LEU 47 CO 0.47 -0.38 0.49 -2.65 -0.00 0.00 0.00 177.39 175.32 2k8m n PRO 48 N -0.59 0.00 0.00 1.47 -0.02 -1.26 -2.41 135.00 132.19 2k8m n PRO 48 Ca 0.00 0.20 -0.11 0.00 -2.02 0.00 0.00 63.50 61.57 2k8m n PRO 48 Cb 0.00 -1.78 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.15 -2.25 2.55 3.58 -1.97 -3.45 116.42 113.73 2k8m h ASP 49 Ca 0.00 0.16 -0.26 0.00 0.42 0.00 0.00 57.03 57.35 2k8m h ASP 49 Cb 0.57 0.48 -0.07 0.00 1.72 0.00 0.00 39.33 42.03 2k8m h ASP 49 CO 0.00 -0.39 -0.27 0.29 -2.88 0.00 0.00 179.24 175.99 2k8m n LYS 50 N -5.43 -1.61 -1.19 0.28 4.76 -1.01 -4.82 118.16 109.14 2k8m n LYS 50 Ca -0.04 0.70 -0.22 0.00 -2.87 0.00 0.00 58.31 55.88 2k8m n LYS 50 Cb 0.35 -5.06 0.17 0.00 -1.84 0.00 0.00 35.03 28.64 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 -2.18 2.25 -3.65 1.97 5.02 -1.26 -4.89 118.16 115.43 2k8m n LYS 51 Ca -0.13 -3.09 -0.01 0.00 -2.02 0.00 0.00 58.31 53.05 2k8m n LYS 51 Cb 0.49 -2.14 -0.07 0.00 -0.02 0.00 0.00 35.03 33.29 2k8m n LYS 51 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2k8m s LYS 52 N -3.36 0.12 -0.30 1.97 -2.85 -1.26 -4.78 119.74 109.28 2k8m s LYS 52 Ca 0.56 0.17 -0.07 0.00 -1.00 0.00 0.00 55.97 55.63 2k8m s LYS 52 Cb 0.47 0.04 0.17 0.00 -2.06 0.00 0.00 37.83 36.45 2k8m s LYS 52 CO 0.08 -0.02 0.73 0.21 0.10 0.00 0.00 175.35 176.45 2k8m s LYS 53 N 0.61 0.48 -0.01 1.78 2.20 -1.26 -4.63 119.74 118.91 2k8m s LYS 53 Ca -0.01 0.99 -0.01 0.00 -0.36 0.00 0.00 55.97 56.58 2k8m s LYS 53 Cb -0.04 0.57 0.01 0.00 -1.51 0.00 0.00 37.83 36.86 2k8m s LYS 53 CO -0.12 -0.38 0.03 0.12 -0.36 0.00 0.00 175.35 174.63 2k8m s PHE 54 N 2.83 -0.02 -0.15 4.03 5.36 -1.26 -5.03 117.98 123.75 2k8m s PHE 54 Ca 0.08 0.09 -0.03 0.00 -0.96 0.00 0.00 56.93 56.11 2k8m s PHE 54 Cb -0.12 -0.05 -0.02 0.00 -0.34 0.00 0.00 43.02 42.48 2k8m s PHE 54 CO -0.19 -0.04 -0.07 -1.21 -1.46 0.00 0.00 175.22 172.26 2k8m s GLU 55 N 0.29 3.58 1.11 10.12 2.02 -1.26 -1.89 118.70 132.67 2k8m s GLU 55 Ca -0.02 -0.57 -0.17 0.00 0.02 0.00 0.00 54.97 54.22 2k8m s GLU 55 Cb -0.03 -2.82 0.25 0.00 0.10 0.00 0.00 34.13 31.62 2k8m s GLU 55 CO -0.01 0.23 1.16 0.95 0.02 0.00 0.00 175.26 177.61 2k8m s THR 56 N 0.36 1.76 0.26 3.63 -4.23 -0.69 -4.98 115.64 111.76 2k8m s THR 56 Ca -0.06 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.15 2k8m s THR 56 Cb -0.15 -2.62 -0.10 0.00 1.34 0.00 0.00 72.50 70.97 2k8m s THR 56 CO 0.04 0.00 1.32 -0.75 -0.54 0.00 0.00 174.62 174.69 2k8m s LYS 57 N -5.46 4.37 0.01 3.99 2.20 -1.26 -4.85 119.74 118.74 2k8m s LYS 57 Ca 0.70 2.14 -0.30 0.00 -0.36 0.00 0.00 55.97 58.15 2k8m s LYS 57 Cb -0.10 -3.13 -0.08 0.00 -1.51 0.00 0.00 37.83 33.01 2k8m s LYS 57 CO 0.55 -0.23 1.82 0.54 -0.36 0.00 0.00 175.35 177.67 2k8m s VAL 58 N -0.45 3.20 -0.98 4.02 0.11 -1.26 -4.75 120.40 120.29 2k8m s VAL 58 Ca 0.53 0.31 -0.12 0.00 -2.93 0.00 0.00 61.98 59.78 2k8m s VAL 58 Cb -0.38 -3.20 0.23 0.00 -1.53 0.00 0.00 36.38 31.50 2k8m s VAL 58 CO 0.45 -0.02 0.98 -1.00 -3.33 0.00 0.00 175.10 172.17 2k8m s HIS 59 N 4.04 3.92 0.14 1.54 0.09 -1.26 -5.03 115.29 118.73 2k8m s HIS 59 Ca 0.81 -2.25 -0.31 0.00 -0.00 0.00 0.00 55.06 53.31 2k8m s HIS 59 Cb -0.39 -3.89 -0.10 0.00 -0.00 0.00 0.00 32.58 28.19 2k8m s HIS 59 CO 0.36 -1.04 1.65 -0.98 -0.00 0.00 0.00 174.74 174.73 2k8m s ARG 60 N -0.16 4.19 -0.41 1.40 1.04 -1.26 -3.52 118.95 120.22 2k8m s ARG 60 Ca 0.26 2.42 -0.26 0.00 -1.04 0.00 0.00 55.73 57.11 2k8m s ARG 60 Cb -0.09 -3.30 0.04 0.00 -2.04 0.00 0.00 34.95 29.55 2k8m s ARG 60 CO -0.08 -0.69 0.58 1.63 -0.04 0.00 0.00 175.30 176.70 2k8m n LYS 61 N 4.57 -2.11 -3.51 3.89 4.76 -0.98 -4.96 118.16 119.82 2k8m n LYS 61 Ca 0.15 1.75 -0.16 0.00 -2.87 0.00 0.00 58.31 57.18 2k8m n LYS 61 Cb 0.38 -3.65 -0.05 0.00 -1.84 0.00 0.00 35.03 29.88 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 -1.93 0.00 0.00 -0.18 -1.32 0.96 -4.88 115.64 108.30 2k8m s THR 62 Ca 0.30 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 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 0.79 0.00 0.75 0.18 -2.21 0.00 0.00 174.62 174.13 2k8m n LEU 63 N 0.67 1.35 -2.89 9.08 4.32 -1.26 -3.78 117.00 124.50 2k8m n LEU 63 Ca -0.17 -1.35 -0.10 0.00 -0.02 0.00 0.00 56.01 54.36 2k8m n LEU 63 Cb 0.58 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.38 2k8m n LEU 63 CO 0.21 0.34 0.04 -3.20 -1.22 0.00 0.00 177.39 173.56 2k8m n ASN 64 N -0.28 -2.58 -4.62 -1.43 5.15 -1.26 -2.68 115.26 107.56 2k8m n ASN 64 Ca 0.00 -2.92 -0.43 0.00 -0.60 0.00 0.00 54.58 50.63 2k8m n ASN 64 Cb 0.23 1.24 -0.02 0.00 -0.53 0.00 0.00 39.78 40.70 2k8m n ASN 64 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2k8m s PRO 65 N 0.54 3.75 -0.77 1.20 0.02 -1.24 -4.93 135.00 133.57 2k8m s PRO 65 Ca 0.31 1.19 -0.03 0.00 0.02 0.00 0.00 61.00 62.50 2k8m s PRO 65 Cb 0.08 -3.97 0.19 0.00 0.02 0.00 0.00 34.50 30.83 2k8m s PRO 65 CO -0.13 -1.33 0.62 0.14 -0.33 0.00 0.00 177.00 175.97 2k8m s VAL 66 N 4.96 4.16 0.00 3.83 -7.23 -1.26 -3.63 120.40 121.23 2k8m s VAL 66 Ca 0.61 -3.36 0.00 0.00 -1.81 0.00 0.00 61.98 57.42 2k8m s VAL 66 Cb -0.17 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.14 2k8m s VAL 66 CO 0.28 -0.99 0.00 0.33 -0.31 0.00 0.00 175.10 174.41 2k8m n PHE 67 N 2.97 0.00 -2.63 2.82 7.35 -1.26 -5.08 117.46 121.63 2k8m n PHE 67 Ca 0.15 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.74 2k8m n PHE 67 Cb 0.38 0.00 0.05 0.00 0.35 0.00 0.00 39.48 40.26 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 -2.29 -4.91 -4.63 -2.13 4.05 -1.18 -5.02 115.26 99.16 2k8m n ASN 68 Ca 0.00 -0.46 -0.29 0.00 0.45 0.00 0.00 54.58 54.29 2k8m n ASN 68 Cb 0.41 -3.54 0.19 0.00 1.23 0.00 0.00 39.78 38.07 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2k8m s GLU 69 N -3.92 0.15 -0.06 1.20 8.01 -1.25 -4.86 118.70 117.96 2k8m s GLU 69 Ca 0.29 0.63 0.04 0.00 0.01 0.00 0.00 54.97 55.94 2k8m s GLU 69 Cb -0.04 -1.70 -0.02 0.00 -4.31 0.00 0.00 34.13 28.07 2k8m s GLU 69 CO 0.48 -2.95 -0.20 -1.14 0.01 0.00 0.00 175.26 171.46 2k8m s GLN 70 N -4.84 2.64 -0.15 1.61 0.74 -1.26 -3.89 119.66 114.52 2k8m s GLN 70 Ca 0.66 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 55.27 2k8m s GLN 70 Cb -0.20 -2.30 0.02 0.00 1.10 0.00 0.00 33.01 31.63 2k8m s GLN 70 CO 0.59 0.44 -0.15 0.12 -0.55 0.00 0.00 175.29 175.74 2k8m s PHE 71 N -0.28 2.24 -0.61 1.67 5.36 -1.24 -5.04 117.98 120.07 2k8m s PHE 71 Ca 0.01 -1.26 -0.21 0.00 -0.96 0.00 0.00 56.93 54.51 2k8m s PHE 71 Cb -0.13 -1.63 0.08 0.00 -0.34 0.00 0.00 43.02 41.00 2k8m s PHE 71 CO 0.03 -0.68 0.82 0.99 -1.46 0.00 0.00 175.22 174.92 2k8m s THR 72 N 1.44 4.59 -1.19 0.12 2.01 -1.26 -2.70 115.64 118.66 2k8m s THR 72 Ca 0.04 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 2k8m s THR 72 Cb -0.13 -4.56 0.06 0.00 0.01 0.00 0.00 72.50 67.89 2k8m s THR 72 CO -0.11 -1.23 1.62 0.12 -0.69 0.00 0.00 174.62 174.33 2k8m s PHE 73 N 3.33 2.69 -0.80 4.92 5.36 -0.57 -4.93 117.98 127.98 2k8m s PHE 73 Ca 0.17 -1.32 -0.25 0.00 -0.96 0.00 0.00 56.93 54.57 2k8m s PHE 73 Cb -0.20 -4.73 -0.02 0.00 -0.34 0.00 0.00 43.02 37.73 2k8m s PHE 73 CO 0.09 -1.86 1.80 0.15 -1.46 0.00 0.00 175.22 173.95 2k8m s LYS 74 N 4.49 2.75 -0.28 10.12 -0.14 -1.26 -1.86 119.74 133.56 2k8m s LYS 74 Ca 0.51 -0.06 -0.19 0.00 -1.36 0.00 0.00 55.97 54.86 2k8m s LYS 74 Cb 0.02 -4.78 0.12 0.00 -1.68 0.00 0.00 37.83 31.52 2k8m s LYS 74 CO 0.01 -2.92 0.94 0.08 -0.76 0.00 0.00 175.35 172.70 2k8m s VAL 75 N 8.79 0.00 0.48 3.17 1.01 -1.19 -4.89 120.40 127.77 2k8m s VAL 75 Ca 0.63 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.37 2k8m s VAL 75 Cb -0.08 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.23 2k8m s VAL 75 CO 0.07 0.00 1.41 -2.65 0.00 0.00 0.00 175.10 173.94 2k8m n PRO 76 N 3.25 2.08 0.28 2.72 -0.02 -1.26 -3.95 135.00 138.10 2k8m n PRO 76 Ca -0.17 0.75 0.16 0.00 -2.02 0.00 0.00 63.50 62.22 2k8m n PRO 76 Cb 0.57 -2.62 0.91 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.01 0.00 0.00 6.00 -0.00 -1.90 0.20 116.97 123.27 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 0.77 -0.00 0.00 0.00 178.16 179.41 2k8m h SER 78 N 0.00 0.00 -0.01 0.10 0.02 -2.02 -2.17 113.55 109.46 2k8m h SER 78 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k8m h SER 78 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2k8m h SER 78 CO -0.00 0.00 -0.16 -0.62 -1.14 0.00 0.00 176.83 174.91 2k8m n GLU 79 N -2.38 1.49 0.12 3.45 1.02 0.67 -4.45 120.64 120.56 2k8m n GLU 79 Ca 0.02 -1.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.08 2k8m n GLU 79 Cb 0.24 -1.27 0.30 0.00 -0.02 0.00 0.00 31.44 30.69 2k8m n GLU 79 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2k8m h LEU 80 N 2.33 0.19 -2.01 -4.62 6.46 -1.14 -2.42 115.31 114.10 2k8m h LEU 80 Ca 0.00 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 2k8m h LEU 80 Cb 0.58 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2k8m h LEU 80 CO 0.00 0.51 -0.09 1.23 -0.62 0.00 0.00 178.44 179.48 2k8m h GLY 81 N 1.07 0.00 -2.75 3.75 0.00 -1.78 -2.64 103.07 100.73 2k8m h GLY 81 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.04 2k8m h GLY 81 CO 0.05 0.00 -0.72 0.61 0.00 0.00 0.00 176.54 176.48 2k8m n GLY 82 N -0.67 5.55 2.94 4.60 0.00 -0.94 -4.33 105.19 112.35 2k8m n GLY 82 Ca -0.02 -2.02 -0.19 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.36 0.79 -0.12 1.61 2.47 -0.99 -5.07 119.74 115.07 2k8m s LYS 83 Ca 0.44 -0.18 -0.00 0.00 -1.56 0.00 0.00 55.97 54.67 2k8m s LYS 83 Cb 0.39 -0.77 0.03 0.00 -1.46 0.00 0.00 37.83 36.02 2k8m s LYS 83 CO -0.01 0.02 -0.08 0.99 0.16 0.00 0.00 175.35 176.43 2k8m s THR 84 N 0.48 1.07 0.08 3.43 2.01 -1.26 -3.63 115.64 117.82 2k8m s THR 84 Ca -0.07 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2k8m s THR 84 Cb -0.10 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.26 2k8m s THR 84 CO 0.00 0.34 0.11 -1.48 -0.69 0.00 0.00 174.62 172.90 2k8m s LEU 85 N 1.68 3.92 0.02 4.42 2.34 -1.26 -3.58 118.68 126.22 2k8m s LEU 85 Ca 0.04 0.05 0.05 0.00 0.06 0.00 0.00 54.13 54.33 2k8m s LEU 85 Cb -0.13 -2.58 -0.02 0.00 -0.56 0.00 0.00 46.19 42.90 2k8m s LEU 85 CO -0.08 0.17 -0.14 0.68 -1.06 0.00 0.00 176.35 175.92 2k8m s VAL 86 N -1.42 1.12 -0.36 1.48 -7.23 -0.12 -3.57 120.40 110.29 2k8m s VAL 86 Ca 0.30 -0.86 -0.03 0.00 -1.81 0.00 0.00 61.98 59.59 2k8m s VAL 86 Cb -0.12 -0.98 0.08 0.00 0.56 0.00 0.00 36.38 35.92 2k8m s VAL 86 CO 0.23 0.12 0.12 -0.32 -0.31 0.00 0.00 175.10 174.94 2k8m s MET 87 N -0.85 2.19 -0.19 4.82 1.75 0.19 -1.12 119.30 126.10 2k8m s MET 87 Ca 0.03 -1.57 -0.09 0.00 -1.25 0.00 0.00 55.69 52.82 2k8m s MET 87 Cb -0.07 -3.42 -0.05 0.00 2.84 0.00 0.00 34.83 34.14 2k8m s MET 87 CO 0.01 -0.87 0.10 0.00 -0.65 0.00 0.00 175.02 173.60 2k8m s ALA 88 N 1.20 3.57 -0.19 4.11 0.00 -1.05 -2.29 121.76 127.11 2k8m s ALA 88 Ca 0.03 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 2k8m s ALA 88 Cb -0.21 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2k8m s ALA 88 CO -0.03 0.20 0.32 0.54 0.00 0.00 0.00 175.76 176.79 2k8m s VAL 89 N 0.26 5.27 0.05 0.00 0.11 -0.69 -0.29 120.40 125.11 2k8m s VAL 89 Ca 0.06 0.55 0.06 0.00 -2.93 0.00 0.00 61.98 59.72 2k8m s VAL 89 Cb -0.12 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.05 2k8m s VAL 89 CO -0.01 0.32 -0.11 -0.47 -3.33 0.00 0.00 175.10 171.50 2k8m s TYR 90 N 0.96 2.73 0.31 1.54 6.14 0.15 -3.17 117.35 126.01 2k8m s TYR 90 Ca 0.16 -0.15 0.02 0.00 0.64 0.00 0.00 57.07 57.74 2k8m s TYR 90 Cb -0.14 -1.50 -0.03 0.00 0.42 0.00 0.00 41.96 40.71 2k8m s TYR 90 CO 0.06 0.35 0.49 0.34 0.64 0.00 0.00 175.55 177.43 2k8m s ASP 91 N -1.69 6.31 -0.36 4.32 2.15 -1.25 -0.04 116.67 126.11 2k8m s ASP 91 Ca 0.18 0.34 0.14 0.00 0.43 0.00 0.00 52.55 53.64 2k8m s ASP 91 Cb -0.11 -1.98 0.40 0.00 -0.30 0.00 0.00 42.92 40.93 2k8m s ASP 91 CO 0.09 -0.22 0.85 0.33 -0.17 0.00 0.00 175.17 176.05 2k8m n PHE 92 N -1.62 0.84 0.28 -5.34 7.35 0.27 -4.80 117.46 114.43 2k8m n PHE 92 Ca -0.06 -3.34 0.18 0.00 -0.76 0.00 0.00 57.45 53.46 2k8m n PHE 92 Cb 0.56 -0.39 0.94 0.00 0.35 0.00 0.00 39.48 40.94 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 2.99 0.00 -1.41 -2.13 2.03 -1.88 -3.43 116.42 112.59 2k8m h ASP 93 Ca 0.02 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.05 2k8m h ASP 93 Cb 1.05 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.50 2k8m h ASP 93 CO 0.52 0.00 -0.30 0.54 -1.03 0.00 0.00 179.24 178.97 2k8m n ARG 94 N -2.75 -1.01 0.10 4.15 1.74 -1.26 -4.75 116.66 112.88 2k8m n ARG 94 Ca -0.02 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 2k8m n ARG 94 Cb 0.11 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 26.61 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 -3.48 -2.38 -1.58 -1.55 7.35 -1.26 -5.12 117.46 109.45 2k8m n PHE 95 Ca -0.15 0.52 -0.31 0.00 -0.76 0.00 0.00 57.45 56.75 2k8m n PHE 95 Cb 0.55 1.35 0.05 0.00 0.35 0.00 0.00 39.48 41.78 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 -3.31 5.28 -1.35 -2.13 0.01 -1.26 -4.89 113.70 106.05 2k8m s SER 96 Ca 0.00 1.68 -0.16 0.00 1.31 0.00 0.00 55.95 58.79 2k8m s SER 96 Cb 0.00 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.74 2k8m s SER 96 CO 0.00 -1.51 2.14 0.29 0.41 0.00 0.00 173.24 174.57 2k8m n LYS 97 N -3.05 2.67 -1.52 12.44 4.76 -1.26 -4.83 118.16 127.37 2k8m n LYS 97 Ca 0.08 -2.54 -0.47 0.00 -2.87 0.00 0.00 58.31 52.50 2k8m n LYS 97 Cb 0.53 -3.26 -0.03 0.00 -1.84 0.00 0.00 35.03 30.43 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 6.58 0.63 -4.51 2.13 1.44 -1.26 -5.00 115.22 115.23 2k8m n HIS 98 Ca 0.51 0.81 -0.23 0.00 -2.01 0.00 0.00 57.72 56.80 2k8m n HIS 98 Cb 0.40 -2.15 -0.05 0.00 0.12 0.00 0.00 29.99 28.31 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 1.67 2.27 -4.63 4.39 -0.08 -1.26 -4.89 116.55 114.02 2k8m n ASP 99 Ca 0.14 -2.74 -0.43 0.00 -1.51 0.00 0.00 54.79 50.26 2k8m n ASP 99 Cb 0.27 0.51 -0.02 0.00 2.34 0.00 0.00 41.12 44.21 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 -2.58 3.90 -0.92 5.18 1.01 -1.26 -3.97 121.20 122.56 2k8m s ILE 100 Ca 0.07 1.00 0.28 0.00 0.00 0.00 0.00 60.65 62.00 2k8m s ILE 100 Cb 0.00 -3.93 0.22 0.00 0.01 0.00 0.00 42.46 38.77 2k8m s ILE 100 CO 0.05 -0.40 1.82 2.30 0.00 0.00 0.00 174.94 178.71 2k8m n ILE 101 N 6.38 0.17 0.00 2.92 -0.00 -1.19 -4.63 119.36 123.00 2k8m n ILE 101 Ca 0.17 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.84 2k8m n ILE 101 Cb 0.46 -0.43 0.00 0.00 -0.00 0.00 0.00 39.64 39.67 2k8m n ILE 101 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2k8m n GLY 102 N 1.44 1.74 2.96 3.28 0.00 -1.26 -4.26 105.19 109.09 2k8m n GLY 102 Ca 0.06 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 2k8m n GLY 102 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k8m n GLU 103 N -0.76 0.69 -3.52 1.61 0.28 0.63 -1.71 120.64 117.87 2k8m n GLU 103 Ca 0.00 -1.44 -0.18 0.00 -0.16 0.00 0.00 57.16 55.39 2k8m n GLU 103 Cb 0.00 1.86 -0.06 0.00 1.43 0.00 0.00 31.44 34.67 2k8m n GLU 103 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 2k8m s PHE 104 N -3.33 -0.66 0.03 -1.84 -0.71 -0.97 -2.56 117.98 107.95 2k8m s PHE 104 Ca 0.15 1.13 -0.05 0.00 -1.04 0.00 0.00 56.93 57.12 2k8m s PHE 104 Cb -0.03 0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 42.18 2k8m s PHE 104 CO 0.07 -0.60 0.08 -1.59 -1.34 0.00 0.00 175.22 171.84 2k8m s LYS 105 N -1.16 0.52 -0.04 1.99 0.00 -1.26 -0.64 119.74 119.15 2k8m s LYS 105 Ca -0.11 -0.66 -0.01 0.00 0.00 0.00 0.00 55.97 55.19 2k8m s LYS 105 Cb -0.00 0.21 0.03 0.00 0.00 0.00 0.00 37.83 38.07 2k8m s LYS 105 CO 0.10 -0.12 0.08 0.54 0.00 0.00 0.00 175.35 175.94 2k8m s VAL 106 N -2.18 -0.05 -0.25 1.79 0.11 -1.23 -5.06 120.40 113.53 2k8m s VAL 106 Ca -0.09 0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 58.86 2k8m s VAL 106 Cb -0.04 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 2k8m s VAL 106 CO -0.03 0.07 1.82 -2.16 -3.33 0.00 0.00 175.10 171.47 2k8m s PRO 107 N 1.00 3.51 0.00 1.54 0.04 -1.26 -4.35 135.00 135.48 2k8m s PRO 107 Ca -0.08 1.67 0.13 0.00 0.04 0.00 0.00 61.00 62.77 2k8m s PRO 107 Cb -0.11 -4.17 0.64 0.00 0.04 0.00 0.00 34.50 30.90 2k8m s PRO 107 CO -0.04 -1.65 1.38 -1.33 0.04 0.00 0.00 177.00 175.40 2k8m n MET 108 N 8.18 0.12 0.17 4.56 2.81 -1.24 -1.62 117.12 130.10 2k8m n MET 108 Ca 0.22 0.20 0.05 0.00 -1.81 0.00 0.00 57.70 56.37 2k8m n MET 108 Cb 0.46 -1.50 0.24 0.00 -0.71 0.00 0.00 33.22 31.70 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 0.30 7.83 -1.24 -1.76 -3.20 115.58 117.51 2k8m h ASN 109 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.69 2k8m h ASN 109 Cb 0.17 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.16 2k8m h ASN 109 CO 0.00 0.40 -1.97 0.41 -1.29 0.00 0.00 177.43 174.98 2k8m n THR 110 N -3.39 1.54 -2.70 -3.57 -1.04 -0.64 -4.81 114.28 99.67 2k8m n THR 110 Ca 0.01 -0.81 -0.43 0.00 -2.04 0.00 0.00 64.05 60.78 2k8m n THR 110 Cb 0.58 -0.89 -0.03 0.00 -1.82 0.00 0.00 70.33 68.18 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 -2.56 4.27 0.18 12.58 1.01 -1.11 -5.01 120.40 129.76 2k8m s VAL 111 Ca -0.08 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 2k8m s VAL 111 Cb 0.07 -4.58 -0.08 0.00 0.00 0.00 0.00 36.38 31.80 2k8m s VAL 111 CO 0.82 -1.07 0.90 1.51 0.00 0.00 0.00 175.10 177.26 2k8m s ASP 112 N 2.60 7.54 -1.25 3.32 -4.77 -1.26 -4.85 116.67 117.99 2k8m s ASP 112 Ca 0.40 1.82 -0.06 0.00 -3.30 0.00 0.00 52.55 51.41 2k8m s ASP 112 Cb -0.09 -2.57 0.04 0.00 -1.09 0.00 0.00 42.92 39.21 2k8m s ASP 112 CO 0.26 0.11 2.64 2.22 0.70 0.00 0.00 175.17 181.10 2k8m n PHE 113 N 1.87 2.33 0.12 2.11 -1.74 -1.26 -4.66 117.46 116.22 2k8m n PHE 113 Ca -0.02 -2.74 -0.14 0.00 -0.56 0.00 0.00 57.45 53.99 2k8m n PHE 113 Cb 0.48 -1.95 -0.08 0.00 1.52 0.00 0.00 39.48 39.45 2k8m n PHE 113 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2k8m h GLY 114 N 5.75 -0.27 0.00 4.97 0.00 -2.00 -3.48 103.07 108.04 2k8m h GLY 114 Ca 0.69 0.10 0.00 0.00 0.00 0.00 0.00 47.33 48.13 2k8m h GLY 114 CO 1.44 -0.10 0.00 1.42 0.00 0.00 0.00 176.54 179.30 2k8m n HIS 115 N -5.13 -0.22 -4.11 5.60 8.25 -1.26 -5.11 115.22 113.25 2k8m n HIS 115 Ca -0.09 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 2k8m n HIS 115 Cb 0.18 0.05 -0.13 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.09 0.43 -0.42 1.59 -7.23 -1.26 -3.80 120.40 109.61 2k8m s VAL 116 Ca 0.00 -0.49 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2k8m s VAL 116 Cb 0.00 -0.41 0.12 0.00 0.56 0.00 0.00 36.38 36.65 2k8m s VAL 116 CO 0.00 -0.06 0.17 -0.89 -0.31 0.00 0.00 175.10 174.02 2k8m s THR 117 N -0.54 2.04 -0.24 5.32 2.01 0.50 -4.96 115.64 119.78 2k8m s THR 117 Ca -0.02 -2.64 -0.07 0.00 0.31 0.00 0.00 61.69 59.26 2k8m s THR 117 Cb -0.05 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 2k8m s THR 117 CO -0.00 -0.75 0.07 -1.61 -0.69 0.00 0.00 174.62 171.64 2k8m s GLU 118 N 0.42 3.69 0.27 4.92 8.01 -1.26 -0.76 118.70 134.00 2k8m s GLU 118 Ca 0.14 -0.46 -0.19 0.00 0.01 0.00 0.00 54.97 54.47 2k8m s GLU 118 Cb -0.23 -3.30 0.02 0.00 -4.31 0.00 0.00 34.13 26.31 2k8m s GLU 118 CO -0.05 -0.12 0.66 -1.83 0.01 0.00 0.00 175.26 173.93 2k8m s GLU 119 N 1.43 1.72 -0.29 1.61 -1.05 -1.01 -5.02 118.70 116.08 2k8m s GLU 119 Ca 0.05 -1.03 -0.08 0.00 -0.15 0.00 0.00 54.97 53.77 2k8m s GLU 119 Cb -0.15 0.58 -0.01 0.00 -0.44 0.00 0.00 34.13 34.11 2k8m s GLU 119 CO 0.04 -0.77 0.10 1.67 0.95 0.00 0.00 175.26 177.24 2k8m s TRP 120 N -3.93 3.14 -0.08 4.83 -2.14 -1.26 -2.50 118.94 116.99 2k8m s TRP 120 Ca 0.13 -0.69 -0.08 0.00 2.66 0.00 0.00 56.10 58.12 2k8m s TRP 120 Cb -0.05 -2.28 -0.04 0.00 -3.10 0.00 0.00 33.47 28.00 2k8m s TRP 120 CO 0.07 -0.48 0.20 0.50 -2.66 0.00 0.00 176.95 174.58 2k8m s ARG 121 N 1.57 3.53 0.28 3.25 6.06 0.08 -4.92 118.95 128.80 2k8m s ARG 121 Ca 0.04 -0.04 -0.29 0.00 -2.50 0.00 0.00 55.73 52.94 2k8m s ARG 121 Cb -0.17 -3.18 -0.09 0.00 0.06 0.00 0.00 34.95 31.57 2k8m s ARG 121 CO 0.04 0.75 1.04 0.16 -2.50 0.00 0.00 175.30 174.79 2k8m s ASP 122 N -1.15 7.35 -0.22 -2.12 -4.77 -1.26 -1.10 116.67 113.40 2k8m s ASP 122 Ca 0.18 2.15 -0.11 0.00 -3.30 0.00 0.00 52.55 51.47 2k8m s ASP 122 Cb -0.13 -2.62 -0.05 0.00 -1.09 0.00 0.00 42.92 39.03 2k8m s ASP 122 CO 0.07 -0.07 0.17 -0.76 0.70 0.00 0.00 175.17 175.28 2k8m s LEU 123 N -1.47 4.16 -0.13 2.11 1.43 0.62 -4.89 118.68 120.51 2k8m s LEU 123 Ca 0.44 0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 53.72 2k8m s LEU 123 Cb -0.29 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2k8m s LEU 123 CO 0.37 0.10 -0.05 -1.10 0.23 0.00 0.00 176.35 175.91 2k8m s GLN 124 N 0.77 3.37 -1.22 1.70 -0.21 -1.06 -0.94 119.66 122.06 2k8m s GLN 124 Ca 0.09 -0.52 -0.18 0.00 0.02 0.00 0.00 55.36 54.77 2k8m s GLN 124 Cb -0.13 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.06 2k8m s GLN 124 CO 0.02 0.39 2.04 0.43 -2.12 0.00 0.00 175.29 176.05 2k8m n SER 125 N 3.07 3.62 -4.55 5.90 7.64 -1.26 -0.27 113.62 127.78 2k8m n SER 125 Ca -0.18 -2.80 -0.39 0.00 1.01 0.00 0.00 58.87 56.51 2k8m n SER 125 Cb 0.53 -1.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.16 2k8m n SER 125 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8m s ALA 126 N 4.56 2.51 0.30 -0.43 0.00 -1.26 -4.80 121.76 122.64 2k8m s ALA 126 Ca 0.53 -1.44 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 2k8m s ALA 126 Cb 0.11 -4.36 -0.10 0.00 0.00 0.00 0.00 23.12 18.77 2k8m s ALA 126 CO 0.02 -3.64 1.25 -1.21 0.00 0.00 0.00 175.76 172.17 2k8m s GLU 127 N 5.96 4.44 0.00 0.00 2.02 -1.26 -4.57 118.70 125.29 2k8m s GLU 127 Ca 0.48 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.54 2k8m s GLU 127 Cb -0.07 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.04 2k8m s GLU 127 CO 0.09 -0.08 0.38 1.63 0.02 0.00 0.00 175.26 177.30