#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 0.31 0.00 3.49 0.00 -1.26 -4.19 119.74 118.09 2k8m s LYS 2 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 55.97 55.72 2k8m s LYS 2 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 37.83 37.60 2k8m s LYS 2 CO 0.00 0.06 0.00 -0.11 0.00 0.00 0.00 175.35 175.30 2k8m n LEU 3 N 2.66 0.00 0.00 2.77 7.94 0.37 -3.99 117.00 126.75 2k8m n LEU 3 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 2k8m n LEU 3 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2k8m n LEU 3 CO 0.24 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.13 2k8m n GLY 4 N 1.64 0.59 3.10 -3.96 0.00 -0.99 -3.95 105.19 101.62 2k8m n GLY 4 Ca 0.00 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.61 0.82 -0.09 1.61 -0.14 -0.68 -0.24 119.74 119.41 2k8m s LYS 5 Ca 0.00 -0.64 0.01 0.00 -1.36 0.00 0.00 55.97 53.97 2k8m s LYS 5 Cb 0.00 -0.79 0.02 0.00 -1.68 0.00 0.00 37.83 35.38 2k8m s LYS 5 CO 0.00 0.20 -0.08 -1.17 -0.76 0.00 0.00 175.35 173.54 2k8m s LEU 6 N -0.96 1.30 -0.19 3.17 0.20 0.12 -0.13 118.68 122.19 2k8m s LEU 6 Ca 0.00 -0.26 -0.13 0.00 0.69 0.00 0.00 54.13 54.43 2k8m s LEU 6 Cb -0.07 -0.75 -0.05 0.00 -0.43 0.00 0.00 46.19 44.89 2k8m s LEU 6 CO 0.01 -0.07 0.27 -1.10 -0.29 0.00 0.00 176.35 175.17 2k8m s GLN 7 N 1.30 4.20 0.11 1.98 -1.52 -0.39 -1.16 119.66 124.18 2k8m s GLN 7 Ca -0.03 0.02 -0.11 0.00 -1.95 0.00 0.00 55.36 53.29 2k8m s GLN 7 Cb -0.14 -3.47 0.01 0.00 -0.22 0.00 0.00 33.01 29.19 2k8m s GLN 7 CO -0.03 0.14 0.26 1.52 -0.25 0.00 0.00 175.29 176.93 2k8m s TYR 8 N 0.78 0.07 -0.08 0.91 1.13 -1.23 -0.56 117.35 118.36 2k8m s TYR 8 Ca 0.14 -0.46 -0.02 0.00 -1.41 0.00 0.00 57.07 55.32 2k8m s TYR 8 Cb -0.13 0.03 0.03 0.00 -1.10 0.00 0.00 41.96 40.79 2k8m s TYR 8 CO 0.04 -0.61 0.02 -1.54 -2.51 0.00 0.00 175.55 170.96 2k8m s SER 9 N -2.85 1.69 -0.05 -0.18 1.04 0.09 -3.37 113.70 110.07 2k8m s SER 9 Ca 0.05 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.37 2k8m s SER 9 Cb 0.04 -0.40 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 2k8m s SER 9 CO -0.10 -0.22 -0.18 -0.76 0.98 0.00 0.00 173.24 172.95 2k8m s LEU 10 N 2.00 2.48 0.08 2.42 1.43 0.15 -2.42 118.68 124.82 2k8m s LEU 10 Ca 0.04 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2k8m s LEU 10 Cb -0.13 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2k8m s LEU 10 CO -0.05 0.31 -0.07 1.51 0.23 0.00 0.00 176.35 178.28 2k8m s ASP 11 N -0.53 1.08 -0.02 2.29 1.47 -1.12 0.23 116.67 120.06 2k8m s ASP 11 Ca 0.07 -0.86 -0.02 0.00 1.18 0.00 0.00 52.55 52.92 2k8m s ASP 11 Cb -0.11 0.07 -0.04 0.00 -0.34 0.00 0.00 42.92 42.50 2k8m s ASP 11 CO 0.01 -0.38 0.14 -0.72 0.68 0.00 0.00 175.17 174.90 2k8m s TYR 12 N -2.90 3.45 0.09 2.11 1.13 -1.26 -0.68 117.35 119.29 2k8m s TYR 12 Ca 0.05 0.32 0.07 0.00 -1.41 0.00 0.00 57.07 56.09 2k8m s TYR 12 Cb 0.00 -1.81 -0.04 0.00 -1.10 0.00 0.00 41.96 39.02 2k8m s TYR 12 CO -0.03 0.62 -0.09 0.34 -2.51 0.00 0.00 175.55 173.87 2k8m s ASP 13 N -1.75 4.44 -0.07 -0.18 2.15 -0.25 -4.94 116.67 116.06 2k8m s ASP 13 Ca 0.24 -0.36 0.10 0.00 0.43 0.00 0.00 52.55 52.97 2k8m s ASP 13 Cb -0.12 -0.87 0.16 0.00 -0.30 0.00 0.00 42.92 41.79 2k8m s ASP 13 CO 0.15 0.19 1.08 2.22 -0.17 0.00 0.00 175.17 178.63 2k8m n PHE 14 N 0.78 0.00 -0.09 -5.34 1.16 -1.26 -3.79 117.46 108.91 2k8m n PHE 14 Ca -0.13 -0.56 -0.11 0.00 -1.87 0.00 0.00 57.45 54.77 2k8m n PHE 14 Cb 0.52 -0.10 -0.10 0.00 -1.61 0.00 0.00 39.48 38.19 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 -0.80 0.82 0.00 3.97 10.64 -1.26 -4.68 117.38 126.07 2k8m n GLN 15 Ca 0.09 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 2k8m n GLN 15 Cb 0.66 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.65 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 -2.90 0.89 -2.71 2.61 6.94 -1.26 -5.07 115.26 113.76 2k8m n ASN 16 Ca -0.31 -1.40 -0.03 0.00 -0.02 0.00 0.00 54.58 52.82 2k8m n ASN 16 Cb 0.90 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 2k8m n ASN 16 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k8m n ASN 17 N -0.20 -7.71 -3.49 0.53 3.02 -1.26 -4.82 115.26 101.33 2k8m n ASN 17 Ca 0.00 1.00 -0.09 0.00 -0.03 0.00 0.00 54.58 55.46 2k8m n ASN 17 Cb 0.33 -5.16 -0.02 0.00 -0.61 0.00 0.00 39.78 34.32 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 -1.97 1.01 -0.22 3.52 1.03 -1.25 -2.00 119.66 119.78 2k8m s GLN 18 Ca 0.10 -0.39 -0.04 0.00 0.04 0.00 0.00 55.36 55.07 2k8m s GLN 18 Cb -0.03 0.45 -0.01 0.00 0.03 0.00 0.00 33.01 33.45 2k8m s GLN 18 CO 0.74 -0.44 -0.02 -0.51 -2.54 0.00 0.00 175.29 172.51 2k8m s LEU 19 N -2.60 3.03 -0.90 2.60 1.43 -0.78 -1.09 118.68 120.37 2k8m s LEU 19 Ca 0.04 -0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 52.57 2k8m s LEU 19 Cb -0.01 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.46 2k8m s LEU 19 CO -0.09 0.00 1.47 -0.22 0.23 0.00 0.00 176.35 177.74 2k8m s LEU 20 N 1.35 3.35 -0.82 1.79 1.98 0.15 -2.22 118.68 124.25 2k8m s LEU 20 Ca 0.04 -0.95 -0.23 0.00 -2.89 0.00 0.00 54.13 50.10 2k8m s LEU 20 Cb -0.14 -2.56 0.07 0.00 0.66 0.00 0.00 46.19 44.21 2k8m s LEU 20 CO -0.01 -1.79 1.18 -0.69 -1.89 0.00 0.00 176.35 173.15 2k8m s VAL 21 N 5.99 4.18 -0.36 1.68 1.01 -0.79 -2.81 120.40 129.30 2k8m s VAL 21 Ca 0.46 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 2k8m s VAL 21 Cb -0.04 -4.84 0.03 0.00 0.00 0.00 0.00 36.38 31.53 2k8m s VAL 21 CO 0.01 -1.67 0.17 -0.83 0.00 0.00 0.00 175.10 172.77 2k8m s GLY 22 N 3.97 1.90 -0.19 4.51 0.00 -1.02 -0.77 107.32 115.72 2k8m s GLY 22 Ca 0.33 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 43.17 2k8m s GLY 22 CO 0.03 0.82 0.27 -0.26 0.00 0.00 0.00 173.10 173.95 2k8m s ILE 23 N 1.49 5.31 -0.05 0.90 -0.00 -1.06 -0.74 121.20 127.05 2k8m s ILE 23 Ca 0.00 0.46 -0.05 0.00 -0.00 0.00 0.00 60.65 61.07 2k8m s ILE 23 Cb -0.19 -3.60 -0.03 0.00 -0.00 0.00 0.00 42.46 38.63 2k8m s ILE 23 CO 0.05 0.36 0.26 0.40 -0.00 0.00 0.00 174.94 176.01 2k8m h ILE 24 N 4.80 0.00 -1.96 8.37 2.04 -1.15 -3.20 117.51 126.42 2k8m h ILE 24 Ca -0.40 -0.57 0.24 0.00 1.00 0.00 0.00 64.86 65.13 2k8m h ILE 24 Cb 1.16 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.14 2k8m h ILE 24 CO 0.73 0.00 0.63 0.00 0.00 0.00 0.00 178.15 179.52 2k8m s GLN 25 N -2.07 0.85 0.21 2.37 1.03 -1.17 -3.07 119.66 117.80 2k8m s GLN 25 Ca -0.03 -0.47 0.12 0.00 0.04 0.00 0.00 55.36 55.02 2k8m s GLN 25 Cb 0.00 0.29 -0.05 0.00 0.03 0.00 0.00 33.01 33.29 2k8m s GLN 25 CO 0.08 -0.39 -0.23 0.00 -2.54 0.00 0.00 175.29 172.21 2k8m s ALA 26 N -2.92 2.58 0.05 2.60 0.00 -1.26 -1.26 121.76 121.55 2k8m s ALA 26 Ca 0.13 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2k8m s ALA 26 Cb 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2k8m s ALA 26 CO -0.00 0.40 -0.08 0.00 0.00 0.00 0.00 175.76 176.07 2k8m s ALA 27 N -1.86 0.62 -1.26 0.00 0.00 0.82 -3.95 121.76 116.14 2k8m s ALA 27 Ca 0.23 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.36 2k8m s ALA 27 Cb -0.07 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.09 2k8m s ALA 27 CO 0.11 -0.02 1.00 0.39 0.00 0.00 0.00 175.76 177.24 2k8m n GLU 28 N 1.39 -6.66 -2.83 0.00 1.02 -1.26 -1.68 120.64 110.63 2k8m n GLU 28 Ca -0.22 0.81 -0.36 0.00 -0.02 0.00 0.00 57.16 57.36 2k8m n GLU 28 Cb 0.55 -5.78 -0.06 0.00 -0.02 0.00 0.00 31.44 26.13 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 -6.62 4.27 0.67 -4.62 1.43 -1.24 -4.13 118.68 108.44 2k8m s LEU 29 Ca 0.14 1.76 -0.14 0.00 -1.03 0.00 0.00 54.13 54.86 2k8m s LEU 29 Cb -0.06 -4.05 0.01 0.00 0.03 0.00 0.00 46.19 42.11 2k8m s LEU 29 CO 0.74 -0.10 1.10 -2.84 0.23 0.00 0.00 176.35 175.48 2k8m s PRO 30 N -2.24 2.76 -0.16 1.29 0.02 -1.26 -4.91 135.00 130.50 2k8m s PRO 30 Ca 0.51 1.33 -0.21 0.00 0.02 0.00 0.00 61.00 62.65 2k8m s PRO 30 Cb -0.17 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 2k8m s PRO 30 CO 0.22 -1.28 0.64 0.00 -0.33 0.00 0.00 177.00 176.26 2k8m s ALA 31 N -2.45 3.49 -0.18 -1.55 0.00 -1.26 -4.68 121.76 115.13 2k8m s ALA 31 Ca 0.66 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.33 2k8m s ALA 31 Cb -0.19 -2.95 -0.07 0.00 0.00 0.00 0.00 23.12 19.90 2k8m s ALA 31 CO 0.44 -0.40 -0.30 -0.11 0.00 0.00 0.00 175.76 175.38 2k8m n LEU 32 N 4.63 1.77 -4.84 0.00 -0.00 -1.26 -4.99 117.00 112.30 2k8m n LEU 32 Ca -0.01 0.30 -0.31 0.00 -0.00 0.00 0.00 56.01 55.98 2k8m n LEU 32 Cb 0.50 -0.69 0.01 0.00 -0.00 0.00 0.00 43.42 43.25 2k8m n LEU 32 CO 0.45 -0.04 0.71 -0.62 -0.00 0.00 0.00 177.39 177.89 2k8m s ASP 33 N -6.36 6.01 -0.19 1.96 2.15 -1.26 -4.97 116.67 114.00 2k8m s ASP 33 Ca -0.28 1.56 -0.29 0.00 0.43 0.00 0.00 52.55 53.97 2k8m s ASP 33 Cb 0.07 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.17 2k8m s ASP 33 CO 0.39 -1.01 1.56 -0.32 -0.17 0.00 0.00 175.17 175.61 2k8m s MET 34 N -4.77 3.92 0.00 4.34 -2.45 -1.26 -3.27 119.30 115.81 2k8m s MET 34 Ca 0.58 1.73 0.00 0.00 -1.25 0.00 0.00 55.69 56.74 2k8m s MET 34 Cb -0.12 -3.98 0.00 0.00 1.25 0.00 0.00 34.83 31.97 2k8m s MET 34 CO 0.47 -1.13 0.00 0.41 1.05 0.00 0.00 175.02 175.82 2k8m n GLY 35 N 4.42 0.79 0.93 2.11 0.00 -1.26 -4.80 105.19 107.38 2k8m n GLY 35 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.77 2.75 -0.02 0.00 -1.20 -5.04 105.19 102.45 2k8m n GLY 36 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.20 0.32 0.56 2.61 2.01 -1.26 -4.75 115.64 112.93 2k8m s THR 37 Ca 0.00 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.15 2k8m s THR 37 Cb 0.00 -0.55 0.07 0.00 0.01 0.00 0.00 72.50 72.03 2k8m s THR 37 CO 0.00 0.18 0.73 -0.44 -0.69 0.00 0.00 174.62 174.39 2k8m s SER 38 N 1.99 5.08 -0.72 3.53 0.01 -1.26 -4.38 113.70 117.95 2k8m s SER 38 Ca 0.04 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 56.48 2k8m s SER 38 Cb -0.13 0.24 0.23 0.00 0.21 0.00 0.00 66.02 66.57 2k8m s SER 38 CO -0.05 -1.27 0.73 0.47 0.41 0.00 0.00 173.24 173.53 2k8m n ASP 39 N -2.15 3.79 -4.68 2.44 8.00 -1.26 -1.23 116.55 121.46 2k8m n ASP 39 Ca 0.13 -3.35 -0.39 0.00 0.71 0.00 0.00 54.79 51.90 2k8m n ASP 39 Cb 0.62 -0.78 -0.07 0.00 -0.02 0.00 0.00 41.12 40.87 2k8m n ASP 39 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2k8m s PRO 40 N -2.10 4.22 0.07 -0.24 0.04 -1.24 -0.88 135.00 134.86 2k8m s PRO 40 Ca 0.34 0.38 0.07 0.00 0.04 0.00 0.00 61.00 61.83 2k8m s PRO 40 Cb 0.06 -3.53 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 2k8m s PRO 40 CO -0.06 -0.07 -0.20 1.52 0.04 0.00 0.00 177.00 178.23 2k8m s TYR 41 N 1.37 1.76 -0.27 0.56 -0.85 0.81 -4.19 117.35 116.55 2k8m s TYR 41 Ca 0.24 -0.39 -0.18 0.00 -0.52 0.00 0.00 57.07 56.22 2k8m s TYR 41 Cb -0.15 -1.02 -0.03 0.00 0.38 0.00 0.00 41.96 41.14 2k8m s TYR 41 CO 0.09 0.13 0.50 0.14 -1.52 0.00 0.00 175.55 174.90 2k8m s VAL 42 N -0.95 5.08 -0.10 -3.49 -7.23 -1.26 -0.11 120.40 112.34 2k8m s VAL 42 Ca 0.07 0.83 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 2k8m s VAL 42 Cb -0.09 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 2k8m s VAL 42 CO 0.03 0.08 -0.10 -1.59 -0.31 0.00 0.00 175.10 173.20 2k8m s LYS 43 N 2.30 3.06 0.12 4.82 -2.85 0.11 -3.61 119.74 123.69 2k8m s LYS 43 Ca 0.21 -0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 54.25 2k8m s LYS 43 Cb -0.16 -2.60 -0.06 0.00 -2.06 0.00 0.00 37.83 32.95 2k8m s LYS 43 CO 0.09 0.42 0.94 0.14 0.10 0.00 0.00 175.35 177.05 2k8m s VAL 44 N -0.19 4.48 -0.09 1.79 -7.23 -1.13 -1.23 120.40 116.81 2k8m s VAL 44 Ca 0.01 2.03 0.02 0.00 -1.81 0.00 0.00 61.98 62.24 2k8m s VAL 44 Cb -0.13 -4.31 0.01 0.00 0.56 0.00 0.00 36.38 32.51 2k8m s VAL 44 CO 0.03 0.34 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.63 2k8m s PHE 45 N -0.11 2.00 0.42 2.82 0.08 -0.13 -4.40 117.98 118.66 2k8m s PHE 45 Ca 0.46 -0.86 0.08 0.00 0.12 0.00 0.00 56.93 56.72 2k8m s PHE 45 Cb -0.23 -1.41 -0.02 0.00 -0.57 0.00 0.00 43.02 40.78 2k8m s PHE 45 CO 0.29 -0.41 0.35 -0.51 -0.10 0.00 0.00 175.22 174.84 2k8m s LEU 46 N 0.72 3.32 0.00 -0.37 2.01 -1.26 -0.57 118.68 122.53 2k8m s LEU 46 Ca -0.12 -0.82 -0.03 0.00 0.01 0.00 0.00 54.13 53.17 2k8m s LEU 46 Cb -0.16 -1.92 0.04 0.00 0.01 0.00 0.00 46.19 44.16 2k8m s LEU 46 CO 0.03 -0.65 0.16 0.00 1.01 0.00 0.00 176.35 176.90 2k8m n LEU 47 N -1.50 0.00 0.26 1.79 -0.00 -1.21 -4.68 117.00 111.65 2k8m n LEU 47 Ca 0.03 -0.17 0.02 0.00 -0.00 0.00 0.00 56.01 55.88 2k8m n LEU 47 Cb 0.62 -0.14 0.09 0.00 -0.00 0.00 0.00 43.42 44.00 2k8m n LEU 47 CO 0.43 -1.00 0.90 -0.65 -0.00 0.00 0.00 177.39 177.08 2k8m h PRO 48 N 0.00 0.00 0.33 1.47 0.11 -1.97 -1.65 132.00 130.29 2k8m h PRO 48 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2k8m h PRO 48 Cb 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.25 2k8m h PRO 48 CO 0.04 0.00 -0.46 0.22 -0.21 0.00 0.00 178.00 177.59 2k8m h ASP 49 N 0.00 -1.30 -2.14 -2.05 3.58 -1.95 -3.45 116.42 109.11 2k8m h ASP 49 Ca 0.00 0.12 -0.29 0.00 0.42 0.00 0.00 57.03 57.28 2k8m h ASP 49 Cb 1.61 0.45 -0.08 0.00 1.72 0.00 0.00 39.33 43.03 2k8m h ASP 49 CO 0.00 -0.58 -0.30 0.29 -2.88 0.00 0.00 179.24 175.77 2k8m n LYS 50 N -5.51 -1.59 -1.03 0.28 4.76 -0.62 -4.83 118.16 109.62 2k8m n LYS 50 Ca -0.10 0.78 -0.23 0.00 -2.87 0.00 0.00 58.31 55.90 2k8m n LYS 50 Cb 0.42 -5.17 0.08 0.00 -1.84 0.00 0.00 35.03 28.52 2k8m n LYS 50 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k8m n LYS 51 N -2.25 2.11 -3.65 1.97 5.02 -1.26 -4.81 118.16 115.29 2k8m n LYS 51 Ca -0.15 -2.28 0.01 0.00 -2.02 0.00 0.00 58.31 53.88 2k8m n LYS 51 Cb 0.52 -1.89 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.61 0.10 -0.23 1.97 -2.85 -1.26 -4.96 119.74 109.91 2k8m s LYS 52 Ca 0.44 0.17 -0.06 0.00 -1.00 0.00 0.00 55.97 55.53 2k8m s LYS 52 Cb 0.36 0.02 0.12 0.00 -2.06 0.00 0.00 37.83 36.26 2k8m s LYS 52 CO 0.02 -0.02 0.45 0.21 0.10 0.00 0.00 175.35 176.10 2k8m s LYS 53 N 1.04 0.38 -0.06 1.78 2.20 -1.26 -4.62 119.74 119.20 2k8m s LYS 53 Ca -0.08 0.94 0.05 0.00 -0.36 0.00 0.00 55.97 56.52 2k8m s LYS 53 Cb -0.03 0.19 -0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2k8m s LYS 53 CO -0.11 -0.38 -0.20 0.12 -0.36 0.00 0.00 175.35 174.42 2k8m s PHE 54 N 2.65 2.00 -0.25 4.03 5.36 -1.26 -5.04 117.98 125.47 2k8m s PHE 54 Ca 0.04 -0.63 -0.04 0.00 -0.96 0.00 0.00 56.93 55.34 2k8m s PHE 54 Cb -0.13 -1.34 0.01 0.00 -0.34 0.00 0.00 43.02 41.22 2k8m s PHE 54 CO -0.15 -0.22 -0.02 -2.00 -1.46 0.00 0.00 175.22 171.37 2k8m s GLU 55 N 0.07 3.06 1.00 10.12 2.12 -1.26 -2.82 118.70 130.99 2k8m s GLU 55 Ca -0.07 -0.84 -0.13 0.00 0.36 0.00 0.00 54.97 54.29 2k8m s GLU 55 Cb -0.13 -3.09 0.19 0.00 0.26 0.00 0.00 34.13 31.36 2k8m s GLU 55 CO 0.04 -0.35 1.12 0.95 -0.54 0.00 0.00 175.26 176.48 2k8m s THR 56 N 1.41 1.94 0.21 -1.70 -4.23 -1.24 -4.99 115.64 107.06 2k8m s THR 56 Ca 0.02 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.24 2k8m s THR 56 Cb -0.16 -2.62 -0.08 0.00 1.34 0.00 0.00 72.50 70.98 2k8m s THR 56 CO -0.02 0.00 1.18 -0.75 -0.54 0.00 0.00 174.62 174.48 2k8m s LYS 57 N -5.19 4.52 -0.08 3.99 2.20 -1.26 -4.90 119.74 119.02 2k8m s LYS 57 Ca 0.66 1.87 -0.29 0.00 -0.36 0.00 0.00 55.97 57.85 2k8m s LYS 57 Cb -0.15 -3.22 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 2k8m s LYS 57 CO 0.55 -0.02 2.08 0.54 -0.36 0.00 0.00 175.35 178.14 2k8m s VAL 58 N -0.35 3.01 -1.14 4.02 0.11 -1.26 -4.78 120.40 120.02 2k8m s VAL 58 Ca 0.51 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.41 2k8m s VAL 58 Cb -0.33 -3.01 0.14 0.00 -1.53 0.00 0.00 36.38 31.65 2k8m s VAL 58 CO 0.38 -0.01 1.40 -1.00 -3.33 0.00 0.00 175.10 172.55 2k8m s HIS 59 N 6.15 3.25 0.09 1.54 0.09 -1.26 -4.98 115.29 120.17 2k8m s HIS 59 Ca 0.94 -1.81 -0.34 0.00 -0.00 0.00 0.00 55.06 53.85 2k8m s HIS 59 Cb -0.38 -4.39 -0.13 0.00 -0.00 0.00 0.00 32.58 27.67 2k8m s HIS 59 CO 0.39 -1.51 1.68 2.89 -0.00 0.00 0.00 174.74 178.19 2k8m n ARG 60 N 6.44 2.20 -3.10 1.40 -4.01 -1.26 -3.71 116.66 114.63 2k8m n ARG 60 Ca 0.35 0.80 -0.14 0.00 -1.04 0.00 0.00 57.85 57.82 2k8m n ARG 60 Cb 0.45 -2.60 0.01 0.00 -3.04 0.00 0.00 32.46 27.29 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 4.44 -0.83 -3.64 2.89 4.76 -1.05 -4.96 118.16 119.76 2k8m n LYS 61 Ca 0.19 0.93 -0.07 0.00 -2.87 0.00 0.00 58.31 56.49 2k8m n LYS 61 Cb 0.30 -1.25 -0.07 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.08 0.00 -0.55 -0.18 -1.32 -0.36 -4.91 115.64 107.24 2k8m s THR 62 Ca 0.14 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.85 2k8m s THR 62 Cb -0.01 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.89 2k8m s THR 62 CO 0.31 0.00 1.05 0.18 -2.21 0.00 0.00 174.62 173.96 2k8m n LEU 63 N 2.56 0.62 -3.83 9.08 4.77 -1.26 -4.48 117.00 124.45 2k8m n LEU 63 Ca -0.14 0.06 -0.29 0.00 -0.03 0.00 0.00 56.01 55.61 2k8m n LEU 63 Cb 0.56 -0.10 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 2k8m n LEU 63 CO 0.02 -0.00 -0.17 0.20 -1.33 0.00 0.00 177.39 176.11 2k8m s ASN 64 N -4.16 4.08 -1.12 -1.43 -0.87 -1.26 -3.60 114.94 106.58 2k8m s ASN 64 Ca 0.03 -3.16 -0.22 0.00 -1.57 0.00 0.00 52.86 47.94 2k8m s ASN 64 Cb 0.14 -1.39 -0.03 0.00 -0.02 0.00 0.00 41.25 39.95 2k8m s ASN 64 CO 0.79 -0.19 1.84 -2.84 -2.57 0.00 0.00 177.10 174.12 2k8m s PRO 65 N -0.43 2.96 -0.16 -0.60 0.02 -1.25 -4.90 135.00 130.64 2k8m s PRO 65 Ca 0.21 -1.13 -0.22 0.00 0.02 0.00 0.00 61.00 59.87 2k8m s PRO 65 Cb -0.17 -5.28 -0.03 0.00 0.02 0.00 0.00 34.50 29.04 2k8m s PRO 65 CO -0.06 -3.25 0.68 0.14 -0.33 0.00 0.00 177.00 174.18 2k8m s VAL 66 N 8.60 5.00 0.00 3.83 -7.23 -1.26 -4.17 120.40 125.18 2k8m s VAL 66 Ca 0.63 1.33 0.00 0.00 -1.81 0.00 0.00 61.98 62.13 2k8m s VAL 66 Cb -0.01 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 32.93 2k8m s VAL 66 CO 0.06 0.13 0.00 0.33 -0.31 0.00 0.00 175.10 175.31 2k8m n PHE 67 N 4.77 0.00 -2.69 2.82 -0.00 -1.24 -5.06 117.46 116.05 2k8m n PHE 67 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 2k8m n PHE 67 Cb 0.50 0.00 0.05 0.00 -0.00 0.00 0.00 39.48 40.03 2k8m n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k8m n ASN 68 N -1.28 -3.05 -4.85 -2.13 5.15 -1.17 -5.03 115.26 102.89 2k8m n ASN 68 Ca 0.00 -0.37 -0.32 0.00 -0.60 0.00 0.00 54.58 53.29 2k8m n ASN 68 Cb 0.00 -3.15 -0.04 0.00 -0.53 0.00 0.00 39.78 36.06 2k8m n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2k8m s GLU 69 N -4.39 3.92 0.02 1.20 2.02 -1.21 -4.84 118.70 115.43 2k8m s GLU 69 Ca 0.10 0.76 0.07 0.00 0.02 0.00 0.00 54.97 55.93 2k8m s GLU 69 Cb -0.01 -2.27 -0.02 0.00 0.10 0.00 0.00 34.13 31.92 2k8m s GLU 69 CO 0.42 -0.11 -0.22 -1.14 0.02 0.00 0.00 175.26 174.23 2k8m s GLN 70 N -3.76 1.58 -0.09 1.61 -0.44 -1.26 -2.56 119.66 114.74 2k8m s GLN 70 Ca 0.56 -0.90 0.01 0.00 -2.50 0.00 0.00 55.36 52.53 2k8m s GLN 70 Cb -0.10 -1.64 -0.02 0.00 -1.64 0.00 0.00 33.01 29.60 2k8m s GLN 70 CO 0.28 0.43 -0.11 0.12 0.50 0.00 0.00 175.29 176.51 2k8m s PHE 71 N -0.69 2.83 -0.66 1.67 5.36 0.05 -4.98 117.98 121.56 2k8m s PHE 71 Ca 0.08 -0.29 -0.18 0.00 -0.96 0.00 0.00 56.93 55.58 2k8m s PHE 71 Cb -0.09 -1.76 0.12 0.00 -0.34 0.00 0.00 43.02 40.95 2k8m s PHE 71 CO 0.01 0.06 0.76 0.99 -1.46 0.00 0.00 175.22 175.58 2k8m s THR 72 N -0.26 4.92 -1.27 0.12 2.01 -1.26 -1.89 115.64 118.01 2k8m s THR 72 Ca 0.02 -1.27 -0.18 0.00 0.31 0.00 0.00 61.69 60.56 2k8m s THR 72 Cb -0.13 -4.52 0.02 0.00 0.01 0.00 0.00 72.50 67.88 2k8m s THR 72 CO 0.03 -1.15 1.88 0.33 -0.69 0.00 0.00 174.62 175.01 2k8m n PHE 73 N 6.02 3.91 -2.00 4.92 7.35 -0.94 -4.91 117.46 131.81 2k8m n PHE 73 Ca -0.03 -2.53 -0.31 0.00 -0.76 0.00 0.00 57.45 53.83 2k8m n PHE 73 Cb 0.44 -2.56 -0.04 0.00 0.35 0.00 0.00 39.48 37.66 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 4.54 2.51 -0.28 -4.13 -0.14 -1.26 -1.87 119.74 119.10 2k8m s LYS 74 Ca 0.56 0.15 -0.18 0.00 -1.36 0.00 0.00 55.97 55.14 2k8m s LYS 74 Cb 0.06 -4.78 0.11 0.00 -1.68 0.00 0.00 37.83 31.54 2k8m s LYS 74 CO 0.06 -3.20 0.87 0.08 -0.76 0.00 0.00 175.35 172.41 2k8m s VAL 75 N 10.06 0.00 0.13 3.17 1.01 -0.85 -4.99 120.40 128.93 2k8m s VAL 75 Ca 0.71 0.00 -0.35 0.00 0.00 0.00 0.00 61.98 62.34 2k8m s VAL 75 Cb -0.10 -1.00 -0.15 0.00 0.00 0.00 0.00 36.38 35.13 2k8m s VAL 75 CO 0.09 0.00 1.44 -2.65 0.00 0.00 0.00 175.10 173.98 2k8m n PRO 76 N 3.57 1.65 0.32 2.72 -0.02 -1.26 -3.84 135.00 138.15 2k8m n PRO 76 Ca -0.18 0.59 0.21 0.00 -2.02 0.00 0.00 63.50 62.11 2k8m n PRO 76 Cb 0.58 -2.29 1.09 0.00 -0.02 0.00 0.00 33.50 32.86 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 5.08 0.00 -0.00 6.00 -0.00 -1.89 0.13 116.97 126.29 2k8m h TYR 77 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.27 2k8m h TYR 77 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.03 2k8m h TYR 77 CO 0.60 0.01 -0.04 -1.13 -0.00 0.00 0.00 178.16 177.60 2k8m n SER 78 N -3.17 0.07 -0.12 0.10 3.41 -1.26 -3.26 113.62 109.39 2k8m n SER 78 Ca -0.02 0.13 0.06 0.00 -0.26 0.00 0.00 58.87 58.78 2k8m n SER 78 Cb 0.12 -0.34 0.09 0.00 -0.26 0.00 0.00 64.21 63.82 2k8m n SER 78 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2k8m n GLU 79 N -1.38 1.30 0.14 4.33 2.13 0.44 -4.67 120.64 122.93 2k8m n GLU 79 Ca 0.10 -2.07 0.13 0.00 0.66 0.00 0.00 57.16 55.97 2k8m n GLU 79 Cb 0.30 -1.22 0.32 0.00 0.27 0.00 0.00 31.44 31.10 2k8m n GLU 79 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2k8m h LEU 80 N 0.00 0.00 -0.73 4.31 -0.00 -1.45 -3.32 115.31 114.11 2k8m h LEU 80 Ca 0.00 -0.01 0.09 0.00 -0.00 0.00 0.00 57.88 57.96 2k8m h LEU 80 Cb 0.98 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.57 2k8m h LEU 80 CO 0.00 0.01 0.39 1.23 -0.00 0.00 0.00 178.44 180.06 2k8m h GLY 81 N 4.36 1.11 -3.40 0.17 0.00 -1.82 -1.83 103.07 101.65 2k8m h GLY 81 Ca 0.00 -0.25 -0.48 0.00 0.00 0.00 0.00 47.33 46.60 2k8m h GLY 81 CO 0.00 0.09 0.24 0.61 0.00 0.00 0.00 176.54 177.49 2k8m n GLY 82 N -1.30 5.41 2.53 4.60 0.00 -1.25 -3.87 105.19 111.30 2k8m n GLY 82 Ca 0.11 -1.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.10 2k8m n GLY 82 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k8m n LYS 83 N -0.99 2.02 -1.98 1.61 3.00 -0.69 -5.01 118.16 116.13 2k8m n LYS 83 Ca 0.50 -4.08 -0.42 0.00 -0.00 0.00 0.00 58.31 54.31 2k8m n LYS 83 Cb 1.04 -1.94 -0.03 0.00 0.00 0.00 0.00 35.03 34.11 2k8m n LYS 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 2k8m s THR 84 N -3.26 3.45 0.11 3.15 2.01 -1.26 -4.80 115.64 115.04 2k8m s THR 84 Ca 0.44 0.63 0.04 0.00 0.31 0.00 0.00 61.69 63.10 2k8m s THR 84 Cb 0.30 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2k8m s THR 84 CO -0.10 -0.04 0.11 -1.48 -0.69 0.00 0.00 174.62 172.41 2k8m s LEU 85 N 3.73 3.83 0.12 4.42 2.34 -1.26 -3.35 118.68 128.51 2k8m s LEU 85 Ca 0.74 -0.05 0.05 0.00 0.06 0.00 0.00 54.13 54.94 2k8m s LEU 85 Cb -0.35 -2.48 -0.04 0.00 -0.56 0.00 0.00 46.19 42.77 2k8m s LEU 85 CO 0.31 0.13 -0.12 0.68 -1.06 0.00 0.00 176.35 176.28 2k8m s VAL 86 N -1.54 1.19 -0.22 1.48 -7.23 0.27 -3.67 120.40 110.67 2k8m s VAL 86 Ca 0.30 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 2k8m s VAL 86 Cb -0.11 -1.49 0.05 0.00 0.56 0.00 0.00 36.38 35.38 2k8m s VAL 86 CO 0.23 -0.48 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.11 2k8m s MET 87 N -2.77 2.16 -0.13 4.82 1.75 -0.14 -0.96 119.30 124.03 2k8m s MET 87 Ca 0.08 -1.04 -0.02 0.00 -1.25 0.00 0.00 55.69 53.46 2k8m s MET 87 Cb -0.04 -2.63 -0.03 0.00 2.84 0.00 0.00 34.83 34.97 2k8m s MET 87 CO 0.02 -0.48 -0.05 0.00 -0.65 0.00 0.00 175.02 173.87 2k8m s ALA 88 N 1.28 3.00 -0.25 4.11 0.00 -0.36 -2.01 121.76 127.52 2k8m s ALA 88 Ca -0.04 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 2k8m s ALA 88 Cb -0.18 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2k8m s ALA 88 CO -0.07 0.34 0.34 0.54 0.00 0.00 0.00 175.76 176.90 2k8m s VAL 89 N -0.03 5.21 -0.03 0.00 0.11 -0.80 0.06 120.40 124.93 2k8m s VAL 89 Ca 0.01 0.53 0.03 0.00 -2.93 0.00 0.00 61.98 59.61 2k8m s VAL 89 Cb -0.13 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.02 2k8m s VAL 89 CO 0.03 0.20 -0.09 -0.47 -3.33 0.00 0.00 175.10 171.44 2k8m s TYR 90 N 1.80 2.86 0.28 1.54 5.04 0.85 -3.21 117.35 126.50 2k8m s TYR 90 Ca 0.14 -0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 54.72 2k8m s TYR 90 Cb -0.15 -1.64 -0.04 0.00 0.35 0.00 0.00 41.96 40.47 2k8m s TYR 90 CO 0.09 0.32 0.49 0.34 -1.34 0.00 0.00 175.55 175.45 2k8m s ASP 91 N -1.08 6.36 -0.38 4.32 2.15 -1.25 -0.14 116.67 126.66 2k8m s ASP 91 Ca 0.14 0.48 0.12 0.00 0.43 0.00 0.00 52.55 53.72 2k8m s ASP 91 Cb -0.11 -2.04 0.37 0.00 -0.30 0.00 0.00 42.92 40.83 2k8m s ASP 91 CO 0.04 -0.17 0.79 0.33 -0.17 0.00 0.00 175.17 175.98 2k8m n PHE 92 N -1.17 0.69 0.24 -5.34 7.35 -0.06 -4.78 117.46 114.39 2k8m n PHE 92 Ca -0.04 -3.67 0.14 0.00 -0.76 0.00 0.00 57.45 53.12 2k8m n PHE 92 Cb 0.55 -0.41 0.76 0.00 0.35 0.00 0.00 39.48 40.72 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 -1.79 -2.13 2.03 -1.88 -3.45 116.42 112.19 2k8m h ASP 93 Ca 0.08 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.09 2k8m h ASP 93 Cb 0.96 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.43 2k8m h ASP 93 CO 0.53 0.00 -0.35 0.54 -1.03 0.00 0.00 179.24 178.93 2k8m n ARG 94 N -2.54 -1.12 0.08 4.15 1.74 -1.26 -4.74 116.66 112.97 2k8m n ARG 94 Ca -0.02 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 2k8m n ARG 94 Cb 0.15 -5.01 0.00 0.00 -1.02 0.00 0.00 32.46 26.58 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 -3.75 -2.52 -1.53 -1.55 7.35 -1.26 -5.13 117.46 109.07 2k8m n PHE 95 Ca -0.17 0.47 -0.30 0.00 -0.76 0.00 0.00 57.45 56.69 2k8m n PHE 95 Cb 0.60 1.40 0.10 0.00 0.35 0.00 0.00 39.48 41.93 2k8m n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k8m s SER 96 N -2.43 4.30 -1.42 -2.13 0.01 -1.26 -4.89 113.70 105.88 2k8m s SER 96 Ca 0.00 1.27 -0.15 0.00 1.31 0.00 0.00 55.95 58.38 2k8m s SER 96 Cb 0.00 -1.98 0.05 0.00 0.21 0.00 0.00 66.02 64.30 2k8m s SER 96 CO 0.00 -2.09 2.11 0.29 0.41 0.00 0.00 173.24 173.96 2k8m n LYS 97 N -3.50 2.95 -1.51 12.44 4.76 -1.26 -4.84 118.16 127.21 2k8m n LYS 97 Ca 0.07 -2.78 -0.50 0.00 -2.87 0.00 0.00 58.31 52.23 2k8m n LYS 97 Cb 0.57 -3.32 -0.04 0.00 -1.84 0.00 0.00 35.03 30.39 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 6.50 0.61 -4.36 2.13 1.44 -1.26 -4.99 115.22 115.29 2k8m n HIS 98 Ca 0.51 0.85 -0.27 0.00 -2.01 0.00 0.00 57.72 56.80 2k8m n HIS 98 Cb 0.40 -2.14 -0.08 0.00 0.12 0.00 0.00 29.99 28.29 2k8m n HIS 98 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2k8m s ASP 99 N -0.36 4.22 -0.47 4.39 2.15 -1.26 -4.88 116.67 120.46 2k8m s ASP 99 Ca 0.73 -1.27 -0.29 0.00 0.43 0.00 0.00 52.55 52.15 2k8m s ASP 99 Cb -0.95 -0.25 0.02 0.00 -0.30 0.00 0.00 42.92 41.44 2k8m s ASP 99 CO 0.55 -0.60 1.31 -0.63 -0.17 0.00 0.00 175.17 175.63 2k8m s ILE 100 N -2.69 3.99 0.44 4.11 1.09 -1.26 -3.96 121.20 122.92 2k8m s ILE 100 Ca 0.34 0.98 0.15 0.00 -1.10 0.00 0.00 60.65 61.02 2k8m s ILE 100 Cb 0.05 -4.40 0.18 0.00 -1.06 0.00 0.00 42.46 37.23 2k8m s ILE 100 CO 0.18 -0.94 1.99 0.16 -0.10 0.00 0.00 174.94 176.23 2k8m h ILE 101 N 6.36 1.12 0.00 2.92 -2.65 -1.88 -3.42 117.51 119.95 2k8m h ILE 101 Ca -0.26 -0.66 0.00 0.00 1.03 0.00 0.00 64.86 64.98 2k8m h ILE 101 Cb 1.09 1.36 0.00 0.00 -2.05 0.00 0.00 36.82 37.21 2k8m h ILE 101 CO 1.12 0.19 0.00 0.61 0.03 0.00 0.00 178.15 180.10 2k8m n GLY 102 N -0.97 -1.86 0.59 0.16 0.00 -1.26 -4.03 105.19 97.82 2k8m n GLY 102 Ca -0.02 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.41 0.12 -3.51 1.61 0.28 -0.50 -1.90 120.64 116.34 2k8m n GLU 103 Ca 0.00 -0.26 -0.17 0.00 -0.16 0.00 0.00 57.16 56.57 2k8m n GLU 103 Cb 0.00 0.34 -0.05 0.00 1.43 0.00 0.00 31.44 33.16 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 -6.03 -0.63 -0.00 -1.84 -0.12 -0.85 -3.21 117.98 105.29 2k8m s PHE 104 Ca 0.03 1.01 -0.05 0.00 -0.05 0.00 0.00 56.93 57.87 2k8m s PHE 104 Cb -0.01 0.43 -0.00 0.00 -0.63 0.00 0.00 43.02 42.81 2k8m s PHE 104 CO 0.01 -0.63 0.10 -1.59 -0.05 0.00 0.00 175.22 173.06 2k8m s LYS 105 N -1.52 0.37 -0.02 1.99 0.00 -1.26 -0.97 119.74 118.33 2k8m s LYS 105 Ca -0.09 -0.31 0.00 0.00 0.00 0.00 0.00 55.97 55.57 2k8m s LYS 105 Cb -0.00 0.15 0.02 0.00 0.00 0.00 0.00 37.83 38.00 2k8m s LYS 105 CO 0.07 -0.08 -0.00 0.54 0.00 0.00 0.00 175.35 175.88 2k8m s VAL 106 N -1.07 0.17 -0.35 1.79 0.11 -1.24 -5.06 120.40 114.73 2k8m s VAL 106 Ca -0.12 0.07 -0.27 0.00 -2.93 0.00 0.00 61.98 58.73 2k8m s VAL 106 Cb -0.07 -0.25 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 2k8m s VAL 106 CO 0.01 0.13 2.20 -2.16 -3.33 0.00 0.00 175.10 171.94 2k8m s PRO 107 N 0.86 2.77 0.37 1.54 0.04 -1.26 -4.40 135.00 134.93 2k8m s PRO 107 Ca -0.09 1.64 0.27 0.00 0.04 0.00 0.00 61.00 62.86 2k8m s PRO 107 Cb -0.12 -4.42 1.24 0.00 0.04 0.00 0.00 34.50 31.24 2k8m s PRO 107 CO -0.02 -2.51 1.82 0.52 0.04 0.00 0.00 177.00 176.85 2k8m h MET 108 N 16.28 0.00 -0.00 4.56 2.86 -1.85 -1.76 114.93 135.02 2k8m h MET 108 Ca -0.33 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.14 2k8m h MET 108 Cb 1.23 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 2k8m h MET 108 CO 1.05 0.00 -0.79 -0.97 1.06 0.00 0.00 176.91 177.26 2k8m h ASN 109 N 0.00 0.07 0.22 1.22 -1.24 -1.74 -3.26 115.58 110.84 2k8m h ASN 109 Ca 0.00 -0.05 -0.32 0.00 0.71 0.00 0.00 56.30 56.63 2k8m h ASN 109 Cb 0.29 -0.02 0.03 0.00 0.73 0.00 0.00 38.32 39.34 2k8m h ASN 109 CO 0.00 0.83 -1.50 0.74 -1.29 0.00 0.00 177.43 176.21 2k8m h THR 110 N 0.03 1.17 -2.93 -3.57 2.02 -1.69 -3.44 112.91 104.50 2k8m h THR 110 Ca -0.02 -2.60 -0.57 0.00 0.77 0.00 0.00 66.41 64.00 2k8m h THR 110 Cb 1.39 2.95 -0.04 0.00 -1.74 0.00 0.00 68.15 70.72 2k8m h THR 110 CO 0.11 0.81 0.97 -0.69 0.37 0.00 0.00 175.52 177.08 2k8m s VAL 111 N -2.57 4.11 0.31 3.16 1.01 -0.86 -5.00 120.40 120.57 2k8m s VAL 111 Ca -0.12 1.31 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 2k8m s VAL 111 Cb 0.04 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 2k8m s VAL 111 CO 0.89 -0.24 0.69 1.51 0.00 0.00 0.00 175.10 177.95 2k8m s ASP 112 N 2.60 6.67 -0.65 3.32 1.47 -1.26 -4.84 116.67 123.97 2k8m s ASP 112 Ca 0.59 1.14 0.00 0.00 1.18 0.00 0.00 52.55 55.46 2k8m s ASP 112 Cb -0.22 -2.32 0.41 0.00 -0.34 0.00 0.00 42.92 40.46 2k8m s ASP 112 CO 0.20 -0.21 1.78 2.22 0.68 0.00 0.00 175.17 179.84 2k8m n PHE 113 N -0.51 3.10 -0.06 2.11 1.16 -1.26 -4.67 117.46 117.33 2k8m n PHE 113 Ca 0.02 -2.67 -0.04 0.00 -1.87 0.00 0.00 57.45 52.90 2k8m n PHE 113 Cb 0.53 -1.00 0.18 0.00 -1.61 0.00 0.00 39.48 37.58 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 2.49 0.74 0.00 4.97 0.00 -2.02 -3.47 103.07 105.79 2k8m h GLY 114 Ca 0.52 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2k8m h GLY 114 CO 1.31 0.48 0.00 1.42 0.00 0.00 0.00 176.54 179.76 2k8m n HIS 115 N -4.19 0.00 -4.14 5.60 8.25 -1.26 -5.13 115.22 114.35 2k8m n HIS 115 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 2k8m n HIS 115 Cb 0.33 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.34 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 0.63 0.66 -0.46 1.59 -7.23 -1.26 -4.29 120.40 110.04 2k8m s VAL 116 Ca 0.00 -1.67 -0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2k8m s VAL 116 Cb 0.00 -1.35 0.12 0.00 0.56 0.00 0.00 36.38 35.71 2k8m s VAL 116 CO 0.00 -0.71 0.25 -0.89 -0.31 0.00 0.00 175.10 173.44 2k8m s THR 117 N -2.89 3.22 -0.24 5.32 2.01 0.14 -4.98 115.64 118.23 2k8m s THR 117 Ca 0.05 -2.38 0.02 0.00 0.31 0.00 0.00 61.69 59.69 2k8m s THR 117 Cb 0.00 -3.20 0.05 0.00 0.01 0.00 0.00 72.50 69.36 2k8m s THR 117 CO -0.03 -0.73 -0.12 -1.61 -0.69 0.00 0.00 174.62 171.44 2k8m s GLU 118 N 0.74 2.30 0.19 4.92 2.02 -1.26 -0.68 118.70 126.93 2k8m s GLU 118 Ca 0.11 -1.18 -0.15 0.00 0.02 0.00 0.00 54.97 53.77 2k8m s GLU 118 Cb -0.22 -2.76 0.02 0.00 0.10 0.00 0.00 34.13 31.27 2k8m s GLU 118 CO -0.04 -0.49 0.47 -1.83 0.02 0.00 0.00 175.26 173.38 2k8m s GLU 119 N 1.19 1.34 -1.12 1.61 -1.05 -1.22 -5.07 118.70 114.40 2k8m s GLU 119 Ca -0.05 -0.97 -0.11 0.00 -0.15 0.00 0.00 54.97 53.68 2k8m s GLU 119 Cb -0.18 0.48 0.24 0.00 -0.44 0.00 0.00 34.13 34.23 2k8m s GLU 119 CO -0.07 -0.55 1.19 -1.58 0.95 0.00 0.00 175.26 175.20 2k8m s TRP 120 N -3.91 3.96 0.29 4.83 0.23 -1.26 -3.46 118.94 119.62 2k8m s TRP 120 Ca 0.12 -2.43 -0.30 0.00 -2.03 0.00 0.00 56.10 51.46 2k8m s TRP 120 Cb -0.00 -4.00 -0.12 0.00 0.03 0.00 0.00 33.47 29.38 2k8m s TRP 120 CO -0.01 -1.11 1.58 -2.13 0.96 0.00 0.00 176.95 176.24 2k8m n ARG 121 N 3.85 2.66 -3.08 4.98 3.00 -0.31 -4.78 116.66 122.99 2k8m n ARG 121 Ca 0.27 0.95 -0.39 0.00 -0.00 0.00 0.00 57.85 58.68 2k8m n ARG 121 Cb 0.41 -2.72 -0.06 0.00 0.00 0.00 0.00 32.46 30.09 2k8m n ARG 121 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 2k8m s ASP 122 N 0.47 7.27 -0.17 6.15 -4.77 -1.26 0.12 116.67 124.48 2k8m s ASP 122 Ca 0.64 1.50 -0.07 0.00 -3.30 0.00 0.00 52.55 51.32 2k8m s ASP 122 Cb -0.51 -2.45 -0.04 0.00 -1.09 0.00 0.00 42.92 38.83 2k8m s ASP 122 CO 0.49 0.22 0.08 -0.76 0.70 0.00 0.00 175.17 175.90 2k8m s LEU 123 N -1.04 3.96 0.15 2.11 1.43 0.66 -4.85 118.68 121.11 2k8m s LEU 123 Ca 0.34 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.69 2k8m s LEU 123 Cb -0.22 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2k8m s LEU 123 CO 0.24 0.23 -0.17 -1.10 0.23 0.00 0.00 176.35 175.77 2k8m s GLN 124 N 0.05 1.21 0.07 1.70 -0.21 -1.20 -0.48 119.66 120.81 2k8m s GLN 124 Ca 0.07 -1.36 -0.30 0.00 0.02 0.00 0.00 55.36 53.79 2k8m s GLN 124 Cb -0.12 -1.22 -0.05 0.00 1.00 0.00 0.00 33.01 32.62 2k8m s GLN 124 CO 0.00 0.25 0.96 -1.12 -2.12 0.00 0.00 175.29 173.26 2k8m s SER 125 N -2.60 7.44 -0.34 5.90 0.01 -1.26 -1.40 113.70 121.46 2k8m s SER 125 Ca 0.14 1.73 -0.01 0.00 1.31 0.00 0.00 55.95 59.12 2k8m s SER 125 Cb -0.06 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.73 2k8m s SER 125 CO 0.06 -0.12 0.19 0.00 0.41 0.00 0.00 173.24 173.77 2k8m s ALA 126 N 0.32 0.91 -0.02 1.44 0.00 -1.26 -4.82 121.76 118.33 2k8m s ALA 126 Ca 0.48 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 2k8m s ALA 126 Cb -0.22 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 2k8m s ALA 126 CO 0.29 -1.99 1.31 -1.21 0.00 0.00 0.00 175.76 174.15 2k8m s GLU 127 N 1.29 4.32 0.00 0.00 2.02 -1.26 -4.63 118.70 120.43 2k8m s GLU 127 Ca 0.16 1.84 0.17 0.00 0.02 0.00 0.00 54.97 57.15 2k8m s GLU 127 Cb -0.21 -3.55 0.13 0.00 0.10 0.00 0.00 34.13 30.60 2k8m s GLU 127 CO -0.08 -0.51 1.03 1.63 0.02 0.00 0.00 175.26 177.35