#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 0.43 0.00 3.49 0.00 -1.26 -4.61 119.74 117.79 2k8m s LYS 2 Ca 0.00 0.93 0.00 0.00 0.00 0.00 0.00 55.97 56.90 2k8m s LYS 2 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 37.83 37.94 2k8m s LYS 2 CO 0.00 -0.18 0.57 -0.11 0.00 0.00 0.00 175.35 175.63 2k8m n LEU 3 N 4.57 0.00 0.00 2.77 7.94 0.40 -4.32 117.00 128.37 2k8m n LEU 3 Ca -0.19 -0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.55 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 0.04 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 176.98 2k8m n GLY 4 N 0.00 0.10 3.03 -3.96 0.00 -1.25 -4.14 105.19 98.98 2k8m n GLY 4 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 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 0.45 -0.06 1.61 1.02 -1.05 -0.52 119.74 121.19 2k8m s LYS 5 Ca 0.00 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.11 2k8m s LYS 5 Cb 0.00 0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.47 2k8m s LYS 5 CO 0.00 -0.08 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.10 2k8m s LEU 6 N -2.14 1.42 -0.17 3.17 0.20 0.16 -1.26 118.68 120.06 2k8m s LEU 6 Ca -0.05 -0.23 -0.20 0.00 0.69 0.00 0.00 54.13 54.34 2k8m s LEU 6 Cb -0.02 -0.68 -0.03 0.00 -0.43 0.00 0.00 46.19 45.04 2k8m s LEU 6 CO -0.05 -0.03 0.59 -1.10 -0.29 0.00 0.00 176.35 175.47 2k8m s GLN 7 N 0.96 4.26 0.05 1.98 -1.52 -0.05 -1.33 119.66 124.01 2k8m s GLN 7 Ca -0.10 0.59 -0.07 0.00 -1.95 0.00 0.00 55.36 53.83 2k8m s GLN 7 Cb -0.15 -3.53 -0.01 0.00 -0.22 0.00 0.00 33.01 29.10 2k8m s GLN 7 CO 0.00 -0.12 0.14 1.52 -0.25 0.00 0.00 175.29 176.58 2k8m s TYR 8 N 1.51 0.18 -0.10 0.91 1.13 -1.14 -0.47 117.35 119.37 2k8m s TYR 8 Ca 0.29 -0.51 -0.01 0.00 -1.41 0.00 0.00 57.07 55.42 2k8m s TYR 8 Cb -0.16 -0.11 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 2k8m s TYR 8 CO 0.11 -0.43 -0.03 -1.12 -2.51 0.00 0.00 175.55 171.56 2k8m s SER 9 N -2.39 1.92 -0.32 -0.18 0.01 -0.01 -2.63 113.70 110.09 2k8m s SER 9 Ca -0.01 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 56.96 2k8m s SER 9 Cb 0.01 -0.63 0.02 0.00 0.21 0.00 0.00 66.02 65.63 2k8m s SER 9 CO -0.07 -0.16 0.10 -0.76 0.41 0.00 0.00 173.24 172.76 2k8m s LEU 10 N 1.84 4.12 -0.10 2.44 1.43 -0.10 -2.23 118.68 126.09 2k8m s LEU 10 Ca 0.05 -0.90 -0.01 0.00 -1.03 0.00 0.00 54.13 52.24 2k8m s LEU 10 Cb -0.13 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2k8m s LEU 10 CO -0.07 -0.26 -0.06 1.51 0.23 0.00 0.00 176.35 177.70 2k8m s ASP 11 N 1.47 4.71 0.35 2.29 -4.77 -1.05 -0.36 116.67 119.32 2k8m s ASP 11 Ca 0.01 -0.05 -0.04 0.00 -3.30 0.00 0.00 52.55 49.17 2k8m s ASP 11 Cb -0.18 -1.40 -0.04 0.00 -1.09 0.00 0.00 42.92 40.21 2k8m s ASP 11 CO 0.03 0.30 0.61 -0.72 0.70 0.00 0.00 175.17 176.09 2k8m s TYR 12 N -0.42 3.50 -0.08 2.11 1.13 -1.22 -0.30 117.35 122.07 2k8m s TYR 12 Ca 0.06 0.61 -0.04 0.00 -1.41 0.00 0.00 57.07 56.30 2k8m s TYR 12 Cb -0.12 -2.10 0.04 0.00 -1.10 0.00 0.00 41.96 38.68 2k8m s TYR 12 CO 0.02 0.05 0.18 0.34 -2.51 0.00 0.00 175.55 173.63 2k8m s ASP 13 N -3.63 -0.10 0.00 -0.18 -1.08 -0.54 -4.89 116.67 106.26 2k8m s ASP 13 Ca 0.44 0.38 0.17 0.00 -0.52 0.00 0.00 52.55 53.02 2k8m s ASP 13 Cb -0.10 0.27 0.35 0.00 -1.46 0.00 0.00 42.92 41.98 2k8m s ASP 13 CO 0.35 -0.16 1.27 2.22 0.52 0.00 0.00 175.17 179.37 2k8m n PHE 14 N 4.31 0.45 -0.00 -5.34 1.16 -1.26 -2.08 117.46 114.69 2k8m n PHE 14 Ca -0.24 -0.30 -0.19 0.00 -1.87 0.00 0.00 57.45 54.85 2k8m n PHE 14 Cb 0.52 -0.01 -0.14 0.00 -1.61 0.00 0.00 39.48 38.24 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 1.08 0.73 0.00 3.97 10.64 -1.26 -4.17 117.38 128.37 2k8m n GLN 15 Ca 0.15 0.27 0.08 0.00 -1.83 0.00 0.00 57.00 55.67 2k8m n GLN 15 Cb 0.50 -1.72 0.05 0.00 -0.86 0.00 0.00 30.24 28.21 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 -3.38 2.18 -3.30 2.61 0.23 -1.26 -5.01 115.26 107.32 2k8m n ASN 16 Ca -0.29 -1.59 -0.13 0.00 -0.53 0.00 0.00 54.58 52.04 2k8m n ASN 16 Cb 1.05 0.13 0.04 0.00 -2.08 0.00 0.00 39.78 38.91 2k8m n ASN 16 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k8m n ASN 17 N 0.65 -6.71 -3.54 0.53 2.85 -1.21 -4.94 115.26 102.90 2k8m n ASN 17 Ca 0.09 -0.56 -0.04 0.00 -0.11 0.00 0.00 54.58 53.96 2k8m n ASN 17 Cb 0.39 -4.67 0.00 0.00 1.24 0.00 0.00 39.78 36.75 2k8m n ASN 17 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2k8m s GLN 18 N -4.22 1.39 -0.08 1.20 1.03 -0.88 -3.54 119.66 114.56 2k8m s GLN 18 Ca 0.27 -0.83 0.03 0.00 0.04 0.00 0.00 55.36 54.87 2k8m s GLN 18 Cb -0.05 0.43 -0.02 0.00 0.03 0.00 0.00 33.01 33.40 2k8m s GLN 18 CO 0.78 -0.65 -0.18 -0.51 -2.54 0.00 0.00 175.29 172.19 2k8m s LEU 19 N -3.10 2.45 -0.46 2.60 1.02 -0.97 -1.47 118.68 118.75 2k8m s LEU 19 Ca 0.16 -0.37 -0.22 0.00 0.02 0.00 0.00 54.13 53.72 2k8m s LEU 19 Cb -0.02 -1.50 0.03 0.00 0.02 0.00 0.00 46.19 44.72 2k8m s LEU 19 CO 0.05 0.25 0.71 -0.22 0.02 0.00 0.00 176.35 177.16 2k8m s LEU 20 N -0.15 4.43 -0.71 1.79 1.98 0.58 -1.75 118.68 124.86 2k8m s LEU 20 Ca -0.02 -0.32 -0.21 0.00 -2.89 0.00 0.00 54.13 50.69 2k8m s LEU 20 Cb -0.14 -2.79 0.09 0.00 0.66 0.00 0.00 46.19 44.01 2k8m s LEU 20 CO 0.04 -0.87 0.96 -0.69 -1.89 0.00 0.00 176.35 173.89 2k8m s VAL 21 N 3.05 4.49 -0.43 1.68 1.01 -0.66 -2.52 120.40 127.03 2k8m s VAL 21 Ca 0.25 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 2k8m s VAL 21 Cb -0.14 -4.67 0.07 0.00 0.00 0.00 0.00 36.38 31.64 2k8m s VAL 21 CO 0.20 -1.42 0.30 -0.83 0.00 0.00 0.00 175.10 173.35 2k8m s GLY 22 N 3.67 1.99 -0.25 4.51 0.00 -0.95 -1.33 107.32 114.96 2k8m s GLY 22 Ca 0.23 -2.09 -0.18 0.00 0.00 0.00 0.00 44.72 42.67 2k8m s GLY 22 CO 0.05 0.98 0.52 -0.26 0.00 0.00 0.00 173.10 174.40 2k8m s ILE 23 N 1.51 5.07 -0.02 0.90 -0.00 -1.10 -0.83 121.20 126.74 2k8m s ILE 23 Ca 0.03 0.92 -0.08 0.00 -0.00 0.00 0.00 60.65 61.52 2k8m s ILE 23 Cb -0.23 -3.84 -0.04 0.00 -0.00 0.00 0.00 42.46 38.35 2k8m s ILE 23 CO 0.04 0.10 0.54 0.40 -0.00 0.00 0.00 174.94 176.02 2k8m h ILE 24 N 5.34 0.00 -2.10 8.37 2.04 -1.11 -3.18 117.51 126.87 2k8m h ILE 24 Ca -0.30 -0.28 0.19 0.00 1.00 0.00 0.00 64.86 65.47 2k8m h ILE 24 Cb 1.14 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.10 2k8m h ILE 24 CO 0.73 0.00 0.57 0.00 0.00 0.00 0.00 178.15 179.45 2k8m s GLN 25 N -2.60 0.87 0.12 2.37 1.03 -1.15 -3.09 119.66 117.22 2k8m s GLN 25 Ca -0.04 -0.43 0.09 0.00 0.04 0.00 0.00 55.36 55.02 2k8m s GLN 25 Cb 0.00 0.33 -0.04 0.00 0.03 0.00 0.00 33.01 33.34 2k8m s GLN 25 CO 0.12 -0.39 -0.22 0.00 -2.54 0.00 0.00 175.29 172.26 2k8m s ALA 26 N -3.02 2.02 0.08 2.60 0.00 -1.20 -0.88 121.76 121.37 2k8m s ALA 26 Ca 0.10 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2k8m s ALA 26 Cb -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2k8m s ALA 26 CO -0.03 0.39 -0.01 0.00 0.00 0.00 0.00 175.76 176.12 2k8m s ALA 27 N -1.30 0.66 -0.90 0.00 0.00 -0.39 -3.50 121.76 116.34 2k8m s ALA 27 Ca 0.11 -1.30 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 2k8m s ALA 27 Cb -0.09 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2k8m s ALA 27 CO 0.05 -0.39 0.29 0.39 0.00 0.00 0.00 175.76 176.10 2k8m n GLU 28 N 0.03 -2.49 -2.94 0.00 -0.58 -1.25 -2.53 120.64 110.88 2k8m n GLU 28 Ca -0.11 0.53 -0.40 0.00 -0.42 0.00 0.00 57.16 56.76 2k8m n GLU 28 Cb 0.62 -4.59 -0.06 0.00 -0.57 0.00 0.00 31.44 26.85 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 -3.90 4.56 0.92 -4.62 1.43 -1.23 -3.97 118.68 111.88 2k8m s LEU 29 Ca 0.14 1.65 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 2k8m s LEU 29 Cb -0.06 -3.33 0.14 0.00 0.03 0.00 0.00 46.19 42.96 2k8m s LEU 29 CO 0.18 0.15 1.11 -2.84 0.23 0.00 0.00 176.35 175.17 2k8m s PRO 30 N -0.85 1.08 -0.15 1.29 0.02 -1.26 -4.87 135.00 130.26 2k8m s PRO 30 Ca 0.38 0.52 -0.14 0.00 0.02 0.00 0.00 61.00 61.78 2k8m s PRO 30 Cb -0.23 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 2k8m s PRO 30 CO 0.26 -2.29 0.31 0.00 -0.33 0.00 0.00 177.00 174.96 2k8m s ALA 31 N -3.09 3.58 -0.13 -1.55 0.00 -1.26 -4.65 121.76 114.66 2k8m s ALA 31 Ca 0.64 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 2k8m s ALA 31 Cb -0.17 -2.41 -0.07 0.00 0.00 0.00 0.00 23.12 20.47 2k8m s ALA 31 CO 0.56 0.10 -0.14 1.28 0.00 0.00 0.00 175.76 177.56 2k8m n LEU 32 N 3.52 2.21 -4.76 0.00 7.99 -0.77 -4.92 117.00 120.27 2k8m n LEU 32 Ca -0.11 0.02 -0.32 0.00 -0.01 0.00 0.00 56.01 55.59 2k8m n LEU 32 Cb 0.52 -0.43 0.09 0.00 -0.11 0.00 0.00 43.42 43.49 2k8m n LEU 32 CO 0.40 0.55 0.71 -0.62 -1.51 0.00 0.00 177.39 176.92 2k8m s ASP 33 N -5.63 4.46 0.00 -1.43 2.15 0.84 -4.89 116.67 112.17 2k8m s ASP 33 Ca -0.18 1.93 0.00 0.00 0.43 0.00 0.00 52.55 54.73 2k8m s ASP 33 Cb 0.06 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 2k8m s ASP 33 CO 0.28 -2.06 0.48 0.80 -0.17 0.00 0.00 175.17 174.50 2k8m n MET 34 N -3.30 0.94 0.00 4.34 0.00 -1.26 -2.55 117.12 115.28 2k8m n MET 34 Ca 0.10 0.00 0.03 0.00 -0.00 0.00 0.00 57.70 57.83 2k8m n MET 34 Cb 0.53 -1.45 0.02 0.00 0.00 0.00 0.00 33.22 32.31 2k8m n MET 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2k8m n GLY 35 N 0.05 -0.87 1.12 -5.12 0.00 -1.26 -4.96 105.19 94.14 2k8m n GLY 35 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.34 0.70 2.18 -0.02 0.00 -1.06 -5.05 105.19 102.28 2k8m n GLY 36 Ca 0.03 -0.23 -0.17 0.00 0.00 0.00 0.00 46.02 45.65 2k8m n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k8m n THR 37 N -2.56 0.00 -3.92 2.61 -2.24 -1.26 -4.74 114.28 102.18 2k8m n THR 37 Ca 0.00 -1.54 -0.10 0.00 -2.27 0.00 0.00 64.05 60.14 2k8m n THR 37 Cb 0.00 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 2k8m n THR 37 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2k8m s SER 38 N -2.63 -0.01 -0.57 3.42 0.01 -1.26 -0.11 113.70 112.54 2k8m s SER 38 Ca 0.13 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 56.65 2k8m s SER 38 Cb 0.01 0.46 0.29 0.00 0.21 0.00 0.00 66.02 66.99 2k8m s SER 38 CO 0.09 -0.92 0.81 0.47 0.41 0.00 0.00 173.24 174.10 2k8m n ASP 39 N -0.23 3.54 -4.82 2.44 8.00 -1.26 -0.54 116.55 123.68 2k8m n ASP 39 Ca -0.08 -3.45 -0.38 0.00 0.71 0.00 0.00 54.79 51.59 2k8m n ASP 39 Cb 0.63 -0.62 -0.06 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.78 3.99 0.08 -0.24 0.04 -1.25 -0.34 135.00 134.50 2k8m s PRO 40 Ca 0.43 0.42 0.03 0.00 0.04 0.00 0.00 61.00 61.92 2k8m s PRO 40 Cb 0.22 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 2k8m s PRO 40 CO -0.08 0.62 -0.09 1.52 0.04 0.00 0.00 177.00 179.01 2k8m s TYR 41 N -0.85 0.92 -0.34 0.56 -0.85 0.70 -3.97 117.35 113.53 2k8m s TYR 41 Ca 0.24 -0.65 -0.17 0.00 -0.52 0.00 0.00 57.07 55.96 2k8m s TYR 41 Cb -0.17 -0.52 -0.01 0.00 0.38 0.00 0.00 41.96 41.65 2k8m s TYR 41 CO 0.13 -0.05 0.48 0.14 -1.52 0.00 0.00 175.55 174.73 2k8m s VAL 42 N -2.29 5.05 -0.43 -3.49 -7.23 -1.26 -0.13 120.40 110.62 2k8m s VAL 42 Ca 0.02 0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 60.42 2k8m s VAL 42 Cb -0.04 -3.92 0.08 0.00 0.56 0.00 0.00 36.38 33.06 2k8m s VAL 42 CO -0.01 -0.16 0.29 -1.59 -0.31 0.00 0.00 175.10 173.32 2k8m s LYS 43 N 2.31 2.68 0.03 4.82 -2.85 0.23 -3.62 119.74 123.33 2k8m s LYS 43 Ca 0.18 -1.44 -0.30 0.00 -1.00 0.00 0.00 55.97 53.40 2k8m s LYS 43 Cb -0.16 -3.86 -0.07 0.00 -2.06 0.00 0.00 37.83 31.69 2k8m s LYS 43 CO 0.13 -0.98 1.49 0.14 0.10 0.00 0.00 175.35 176.23 2k8m s VAL 44 N 1.47 3.46 0.17 1.79 -7.23 -1.14 -3.41 120.40 115.51 2k8m s VAL 44 Ca 0.03 0.87 0.07 0.00 -1.81 0.00 0.00 61.98 61.15 2k8m s VAL 44 Cb -0.23 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 2k8m s VAL 44 CO 0.03 0.00 -0.14 -0.36 -0.31 0.00 0.00 175.10 174.32 2k8m s PHE 45 N 2.43 1.59 0.45 2.82 0.08 -0.29 -3.70 117.98 121.36 2k8m s PHE 45 Ca 0.67 -0.58 0.03 0.00 0.12 0.00 0.00 56.93 57.17 2k8m s PHE 45 Cb -0.35 -0.77 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 2k8m s PHE 45 CO 0.29 0.27 0.04 -0.51 -0.10 0.00 0.00 175.22 175.20 2k8m s LEU 46 N -3.01 2.32 0.00 -0.37 2.01 -1.26 -1.02 118.68 117.35 2k8m s LEU 46 Ca 0.18 -1.58 0.00 0.00 0.01 0.00 0.00 54.13 52.73 2k8m s LEU 46 Cb -0.02 -0.58 0.00 0.00 0.01 0.00 0.00 46.19 45.60 2k8m s LEU 46 CO 0.05 -0.78 0.00 0.00 1.01 0.00 0.00 176.35 176.63 2k8m n LEU 47 N -1.08 0.00 -0.37 1.79 -0.00 -1.25 -4.63 117.00 111.46 2k8m n LEU 47 Ca -0.12 0.00 0.33 0.00 -0.00 0.00 0.00 56.01 56.22 2k8m n LEU 47 Cb 0.66 0.00 0.51 0.00 -0.00 0.00 0.00 43.42 44.60 2k8m n LEU 47 CO 0.40 -0.30 1.16 -2.65 -0.00 0.00 0.00 177.39 175.99 2k8m n PRO 48 N -0.50 0.01 -0.09 1.47 -0.02 -1.26 -1.46 135.00 133.15 2k8m n PRO 48 Ca 0.00 0.89 -0.10 0.00 -2.02 0.00 0.00 63.50 62.27 2k8m n PRO 48 Cb 0.00 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 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 -1.37 -4.04 2.55 3.58 -1.95 -3.45 116.42 111.73 2k8m h ASP 49 Ca 0.59 0.18 -0.20 0.00 0.42 0.00 0.00 57.03 58.02 2k8m h ASP 49 Cb 2.83 0.56 -0.01 0.00 1.72 0.00 0.00 39.33 44.43 2k8m h ASP 49 CO -0.01 -0.30 -0.25 0.29 -2.88 0.00 0.00 179.24 176.09 2k8m n LYS 50 N -4.68 -2.37 -1.16 0.28 4.76 -0.53 -4.82 118.16 109.63 2k8m n LYS 50 Ca -0.03 0.48 -0.24 0.00 -2.87 0.00 0.00 58.31 55.65 2k8m n LYS 50 Cb 0.25 -5.05 0.16 0.00 -1.84 0.00 0.00 35.03 28.55 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 -2.74 2.21 -3.63 1.97 5.02 -1.26 -4.88 118.16 114.85 2k8m n LYS 51 Ca -0.12 -2.83 -0.07 0.00 -2.02 0.00 0.00 58.31 53.27 2k8m n LYS 51 Cb 0.59 -2.11 -0.06 0.00 -0.02 0.00 0.00 35.03 33.42 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 -3.13 0.34 -0.29 1.97 -2.85 -1.26 -4.93 119.74 109.60 2k8m s LYS 52 Ca 0.54 0.29 -0.14 0.00 -1.00 0.00 0.00 55.97 55.66 2k8m s LYS 52 Cb 0.45 0.17 0.12 0.00 -2.06 0.00 0.00 37.83 36.50 2k8m s LYS 52 CO 0.09 -0.07 0.75 0.21 0.10 0.00 0.00 175.35 176.44 2k8m s LYS 53 N -0.24 0.57 -0.05 1.78 2.20 -1.26 -4.55 119.74 118.19 2k8m s LYS 53 Ca 0.04 1.17 -0.00 0.00 -0.36 0.00 0.00 55.97 56.82 2k8m s LYS 53 Cb -0.04 0.43 0.03 0.00 -1.51 0.00 0.00 37.83 36.74 2k8m s LYS 53 CO -0.08 -0.15 -0.00 0.12 -0.36 0.00 0.00 175.35 174.88 2k8m s PHE 54 N 2.14 0.52 -0.30 4.03 5.36 -1.24 -5.05 117.98 123.44 2k8m s PHE 54 Ca -0.08 -0.09 -0.11 0.00 -0.96 0.00 0.00 56.93 55.70 2k8m s PHE 54 Cb -0.07 -0.62 -0.04 0.00 -0.34 0.00 0.00 43.02 41.95 2k8m s PHE 54 CO -0.19 -0.22 0.20 -2.00 -1.46 0.00 0.00 175.22 171.55 2k8m s GLU 55 N 1.46 3.74 1.13 10.12 2.56 -1.26 -2.88 118.70 133.57 2k8m s GLU 55 Ca -0.03 -0.46 -0.19 0.00 0.00 0.00 0.00 54.97 54.29 2k8m s GLU 55 Cb -0.13 -3.68 0.27 0.00 2.00 0.00 0.00 34.13 32.59 2k8m s GLU 55 CO -0.03 -0.28 1.22 0.95 -0.56 0.00 0.00 175.26 176.56 2k8m s THR 56 N 1.73 1.73 0.10 -1.70 -4.23 -1.24 -5.00 115.64 107.03 2k8m s THR 56 Ca 0.07 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.27 2k8m s THR 56 Cb -0.16 -2.71 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 2k8m s THR 56 CO 0.10 0.00 0.99 -0.75 -0.54 0.00 0.00 174.62 174.42 2k8m s LYS 57 N -5.70 4.66 -0.17 3.99 2.20 -1.26 -4.93 119.74 118.53 2k8m s LYS 57 Ca 0.74 1.49 -0.29 0.00 -0.36 0.00 0.00 55.97 57.55 2k8m s LYS 57 Cb -0.05 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 2k8m s LYS 57 CO 0.55 0.14 1.98 0.54 -0.36 0.00 0.00 175.35 178.21 2k8m s VAL 58 N 0.16 3.21 -1.19 4.02 0.11 -1.26 -4.76 120.40 120.68 2k8m s VAL 58 Ca 0.48 0.23 -0.17 0.00 -2.93 0.00 0.00 61.98 59.60 2k8m s VAL 58 Cb -0.24 -3.23 0.12 0.00 -1.53 0.00 0.00 36.38 31.50 2k8m s VAL 58 CO 0.30 -0.11 1.51 -1.00 -3.33 0.00 0.00 175.10 172.47 2k8m s HIS 59 N 6.54 3.13 0.20 1.54 0.09 -1.25 -4.98 115.29 120.56 2k8m s HIS 59 Ca 0.89 -1.76 -0.32 0.00 -0.00 0.00 0.00 55.06 53.86 2k8m s HIS 59 Cb -0.33 -4.50 -0.13 0.00 -0.00 0.00 0.00 32.58 27.63 2k8m s HIS 59 CO 0.35 -1.60 1.62 2.89 -0.00 0.00 0.00 174.74 178.00 2k8m n ARG 60 N 6.98 2.44 -3.49 1.40 -4.01 -1.26 -3.89 116.66 114.83 2k8m n ARG 60 Ca 0.39 0.88 -0.33 0.00 -1.04 0.00 0.00 57.85 57.74 2k8m n ARG 60 Cb 0.45 -2.66 0.03 0.00 -3.04 0.00 0.00 32.46 27.24 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 3.34 -1.90 -3.62 2.89 4.76 -0.97 -4.96 118.16 117.70 2k8m n LYS 61 Ca 0.15 1.38 -0.14 0.00 -2.87 0.00 0.00 58.31 56.83 2k8m n LYS 61 Cb 0.32 -2.50 -0.07 0.00 -1.84 0.00 0.00 35.03 30.94 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 -1.86 0.00 -1.89 -0.18 -1.32 0.30 -4.86 115.64 105.82 2k8m s THR 62 Ca 0.30 -0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.94 2k8m s THR 62 Cb -0.04 -0.99 0.14 0.00 -1.51 0.00 0.00 72.50 70.10 2k8m s THR 62 CO 0.87 -0.00 1.02 0.18 -2.21 0.00 0.00 174.62 174.48 2k8m n LEU 63 N 2.58 2.36 -3.33 9.08 4.77 -1.26 -4.18 117.00 127.01 2k8m n LEU 63 Ca -0.14 -1.07 -0.24 0.00 -0.03 0.00 0.00 56.01 54.52 2k8m n LEU 63 Cb 0.55 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2k8m n LEU 63 CO 0.04 0.44 -0.26 0.21 -1.33 0.00 0.00 177.39 176.49 2k8m s ASN 64 N -1.27 1.27 -0.42 -1.43 2.47 -1.26 -3.57 114.94 110.72 2k8m s ASN 64 Ca 0.19 -2.74 -0.28 0.00 0.42 0.00 0.00 52.86 50.45 2k8m s ASN 64 Cb 0.13 -0.12 -0.01 0.00 -1.45 0.00 0.00 41.25 39.80 2k8m s ASN 64 CO 0.20 -0.18 1.71 -2.84 -3.72 0.00 0.00 177.10 172.26 2k8m s PRO 65 N 0.35 3.23 -0.18 0.43 0.02 -1.23 -4.88 135.00 132.73 2k8m s PRO 65 Ca 0.30 1.09 -0.03 0.00 0.02 0.00 0.00 61.00 62.38 2k8m s PRO 65 Cb -0.01 -4.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.30 2k8m s PRO 65 CO -0.15 -1.99 -0.07 0.14 -0.33 0.00 0.00 177.00 174.60 2k8m s VAL 66 N 7.00 3.30 0.00 3.83 -7.23 -1.26 -3.21 120.40 122.83 2k8m s VAL 66 Ca 0.71 -0.54 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 2k8m s VAL 66 Cb -0.18 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2k8m s VAL 66 CO 0.30 0.47 0.00 0.33 -0.31 0.00 0.00 175.10 175.89 2k8m n PHE 67 N 4.25 0.00 -2.88 2.82 -0.00 -1.24 -5.06 117.46 115.34 2k8m n PHE 67 Ca -0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.18 2k8m n PHE 67 Cb 0.52 0.00 0.04 0.00 -0.00 0.00 0.00 39.48 40.04 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 -0.66 -6.07 -4.84 -2.13 5.15 -1.18 -5.01 115.26 100.52 2k8m n ASN 68 Ca 0.00 -0.42 -0.33 0.00 -0.60 0.00 0.00 54.58 53.23 2k8m n ASN 68 Cb 0.00 -4.40 -0.06 0.00 -0.53 0.00 0.00 39.78 34.79 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 -3.80 4.05 -0.02 1.20 2.02 -1.20 -4.85 118.70 116.10 2k8m s GLU 69 Ca 0.26 0.78 0.06 0.00 0.02 0.00 0.00 54.97 56.09 2k8m s GLU 69 Cb -0.03 -2.36 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 2k8m s GLU 69 CO 0.61 0.10 -0.18 1.14 0.02 0.00 0.00 175.26 176.94 2k8m s GLN 70 N -3.07 2.29 -0.11 1.61 0.00 -1.26 -2.71 119.66 116.41 2k8m s GLN 70 Ca 0.56 -0.83 0.03 0.00 -0.00 0.00 0.00 55.36 55.12 2k8m s GLN 70 Cb -0.10 -2.24 -0.01 0.00 0.00 0.00 0.00 33.01 30.67 2k8m s GLN 70 CO 0.17 0.59 -0.20 0.12 0.00 0.00 0.00 175.29 175.97 2k8m s PHE 71 N -0.74 2.65 -0.77 9.60 5.36 -0.44 -4.98 117.98 128.65 2k8m s PHE 71 Ca 0.12 -0.85 -0.21 0.00 -0.96 0.00 0.00 56.93 55.03 2k8m s PHE 71 Cb -0.10 -1.75 0.09 0.00 -0.34 0.00 0.00 43.02 40.92 2k8m s PHE 71 CO 0.01 -0.31 1.04 0.99 -1.46 0.00 0.00 175.22 175.49 2k8m s THR 72 N 0.27 4.46 -1.28 0.12 2.01 -1.26 -1.65 115.64 118.31 2k8m s THR 72 Ca -0.14 -0.84 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 2k8m s THR 72 Cb -0.17 -4.73 0.02 0.00 0.01 0.00 0.00 72.50 67.63 2k8m s THR 72 CO 0.07 -1.49 1.89 0.33 -0.69 0.00 0.00 174.62 174.73 2k8m n PHE 73 N 7.30 3.95 -1.72 4.92 7.35 -0.72 -4.89 117.46 133.66 2k8m n PHE 73 Ca 0.08 -2.59 -0.30 0.00 -0.76 0.00 0.00 57.45 53.88 2k8m n PHE 73 Cb 0.47 -2.56 -0.07 0.00 0.35 0.00 0.00 39.48 37.67 2k8m n PHE 73 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2k8m n LYS 74 N 7.79 1.26 -3.76 -4.13 4.76 -1.26 -2.30 118.16 120.51 2k8m n LYS 74 Ca 0.49 -2.15 -0.17 0.00 -2.87 0.00 0.00 58.31 53.61 2k8m n LYS 74 Cb 0.44 -3.54 -0.17 0.00 -1.84 0.00 0.00 35.03 29.93 2k8m n LYS 74 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k8m s VAL 75 N 10.65 -0.02 0.35 -0.18 1.01 -1.23 -4.99 120.40 125.98 2k8m s VAL 75 Ca 0.68 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.65 2k8m s VAL 75 Cb 0.03 -0.16 -0.12 0.00 0.00 0.00 0.00 36.38 36.13 2k8m s VAL 75 CO 0.15 0.14 1.42 -2.65 0.00 0.00 0.00 175.10 174.17 2k8m n PRO 76 N 4.62 2.45 0.25 2.72 -0.02 -1.25 -4.07 135.00 139.71 2k8m n PRO 76 Ca -0.18 0.86 0.18 0.00 -2.02 0.00 0.00 63.50 62.34 2k8m n PRO 76 Cb 0.50 -2.54 0.90 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 3.04 0.00 0.00 6.00 -0.00 -1.94 0.36 116.97 124.43 2k8m h TYR 77 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.25 2k8m h TYR 77 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.99 2k8m h TYR 77 CO 0.53 0.00 0.00 0.77 -0.00 0.00 0.00 178.16 179.46 2k8m h SER 78 N 0.00 0.00 -0.29 0.10 0.02 -2.00 -2.63 113.55 108.76 2k8m h SER 78 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2k8m h SER 78 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2k8m h SER 78 CO -0.00 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.07 2k8m n GLU 79 N -2.65 2.22 -0.07 3.45 1.02 0.12 -4.56 120.64 120.17 2k8m n GLU 79 Ca 0.02 -1.88 -0.02 0.00 -0.02 0.00 0.00 57.16 55.26 2k8m n GLU 79 Cb 0.33 -1.29 0.22 0.00 -0.02 0.00 0.00 31.44 30.68 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 2.43 0.66 -0.63 -4.62 6.46 -1.05 -2.89 115.31 115.67 2k8m h LEU 80 Ca 0.00 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.57 2k8m h LEU 80 Cb 0.70 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2k8m h LEU 80 CO 0.00 0.71 0.17 1.23 -0.62 0.00 0.00 178.44 179.93 2k8m h GLY 81 N 0.93 1.08 -3.52 3.75 0.00 -1.80 -2.66 103.07 100.84 2k8m h GLY 81 Ca 0.14 -0.66 -0.40 0.00 0.00 0.00 0.00 47.33 46.41 2k8m h GLY 81 CO 0.01 0.62 0.51 0.61 0.00 0.00 0.00 176.54 178.29 2k8m n GLY 82 N -0.68 3.99 2.63 4.60 0.00 -1.11 -3.99 105.19 110.64 2k8m n GLY 82 Ca 0.04 -0.92 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 2k8m n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8m s LYS 83 N -2.50 0.25 -0.29 1.61 2.47 -1.00 -5.01 119.74 115.27 2k8m s LYS 83 Ca 0.43 -0.27 -0.07 0.00 -1.56 0.00 0.00 55.97 54.50 2k8m s LYS 83 Cb 0.36 -1.80 0.00 0.00 -1.46 0.00 0.00 37.83 34.93 2k8m s LYS 83 CO 0.07 -0.73 0.07 0.99 0.16 0.00 0.00 175.35 175.91 2k8m s THR 84 N 2.05 3.94 0.33 3.43 2.01 -1.26 -4.16 115.64 121.98 2k8m s THR 84 Ca 0.03 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.19 2k8m s THR 84 Cb -0.16 -3.00 -0.10 0.00 0.01 0.00 0.00 72.50 69.25 2k8m s THR 84 CO -0.14 0.13 0.84 -1.48 -0.69 0.00 0.00 174.62 173.28 2k8m s LEU 85 N 1.51 4.14 -0.18 4.42 2.34 -1.26 -3.90 118.68 125.75 2k8m s LEU 85 Ca 0.03 1.55 0.01 0.00 0.06 0.00 0.00 54.13 55.77 2k8m s LEU 85 Cb -0.17 -4.10 0.04 0.00 -0.56 0.00 0.00 46.19 41.40 2k8m s LEU 85 CO 0.02 -0.17 -0.11 -0.69 -1.06 0.00 0.00 176.35 174.34 2k8m s VAL 86 N -1.87 1.57 -0.47 1.48 1.01 -0.19 -3.99 120.40 117.94 2k8m s VAL 86 Ca 0.53 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 2k8m s VAL 86 Cb -0.13 -1.60 0.08 0.00 0.00 0.00 0.00 36.38 34.73 2k8m s VAL 86 CO 0.18 0.26 0.39 -0.32 0.00 0.00 0.00 175.10 175.61 2k8m s MET 87 N 1.45 2.95 -0.06 2.72 0.00 -0.58 -1.14 119.30 124.63 2k8m s MET 87 Ca 0.01 -1.38 0.01 0.00 0.00 0.00 0.00 55.69 54.33 2k8m s MET 87 Cb -0.15 -4.11 -0.03 0.00 0.00 0.00 0.00 34.83 30.54 2k8m s MET 87 CO -0.09 -1.04 -0.06 0.00 0.00 0.00 0.00 175.02 173.83 2k8m s ALA 88 N 1.62 3.03 -0.20 4.11 0.00 -1.22 -1.48 121.76 127.62 2k8m s ALA 88 Ca 0.04 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 2k8m s ALA 88 Cb -0.24 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 2k8m s ALA 88 CO 0.06 0.58 0.16 0.54 0.00 0.00 0.00 175.76 177.10 2k8m s VAL 89 N -0.85 5.39 -0.05 0.00 0.11 0.50 -0.60 120.40 124.90 2k8m s VAL 89 Ca 0.13 0.24 0.05 0.00 -2.93 0.00 0.00 61.98 59.47 2k8m s VAL 89 Cb -0.11 -3.50 -0.02 0.00 -1.53 0.00 0.00 36.38 31.22 2k8m s VAL 89 CO 0.02 0.42 -0.19 -0.47 -3.33 0.00 0.00 175.10 171.55 2k8m s TYR 90 N 0.47 2.57 0.38 1.54 5.04 0.82 -1.97 117.35 126.19 2k8m s TYR 90 Ca 0.09 -0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 2k8m s TYR 90 Cb -0.12 -1.60 -0.04 0.00 0.35 0.00 0.00 41.96 40.55 2k8m s TYR 90 CO -0.00 0.04 0.63 0.34 -1.34 0.00 0.00 175.55 175.21 2k8m s ASP 91 N -0.54 6.33 -0.34 4.32 2.15 -1.25 -0.21 116.67 127.13 2k8m s ASP 91 Ca 0.07 0.68 0.15 0.00 0.43 0.00 0.00 52.55 53.89 2k8m s ASP 91 Cb -0.11 -2.13 0.42 0.00 -0.30 0.00 0.00 42.92 40.79 2k8m s ASP 91 CO 0.01 -0.36 0.89 0.33 -0.17 0.00 0.00 175.17 175.87 2k8m n PHE 92 N -1.72 0.63 0.16 -5.34 -0.00 0.54 -4.82 117.46 106.91 2k8m n PHE 92 Ca -0.02 -3.09 0.10 0.00 -0.00 0.00 0.00 57.45 54.44 2k8m n PHE 92 Cb 0.55 -0.29 0.55 0.00 -0.00 0.00 0.00 39.48 40.29 2k8m n PHE 92 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2k8m n ASP 93 N 0.04 0.52 -1.73 -2.13 5.75 -1.26 -4.73 116.55 113.02 2k8m n ASP 93 Ca 0.14 0.73 -0.13 0.00 -0.01 0.00 0.00 54.79 55.52 2k8m n ASP 93 Cb 0.77 -0.79 0.01 0.00 -1.03 0.00 0.00 41.12 40.08 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 -2.11 0.19 0.11 3.00 -1.26 -4.74 116.66 109.64 2k8m n ARG 94 Ca -0.01 0.59 0.00 0.00 -0.01 0.00 0.00 57.85 58.42 2k8m n ARG 94 Cb 0.06 -4.76 0.00 0.00 0.00 0.00 0.00 32.46 27.76 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 -4.02 -4.30 -1.43 -1.55 7.35 -1.26 -5.14 117.46 107.11 2k8m n PHE 95 Ca -0.11 1.33 -0.30 0.00 -0.76 0.00 0.00 57.45 57.60 2k8m n PHE 95 Cb 0.59 3.38 0.09 0.00 0.35 0.00 0.00 39.48 43.90 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 -2.00 4.52 -1.14 -2.13 0.01 -1.26 -4.89 113.70 106.81 2k8m s SER 96 Ca 0.00 1.52 -0.08 0.00 1.31 0.00 0.00 55.95 58.70 2k8m s SER 96 Cb 0.00 -2.27 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 2k8m s SER 96 CO 0.00 -1.98 3.05 0.29 0.41 0.00 0.00 173.24 175.01 2k8m n LYS 97 N -3.46 3.34 -1.60 12.44 4.76 -1.26 -4.87 118.16 127.50 2k8m n LYS 97 Ca 0.08 -2.06 -0.52 0.00 -2.87 0.00 0.00 58.31 52.93 2k8m n LYS 97 Cb 0.55 -2.55 -0.06 0.00 -1.84 0.00 0.00 35.03 31.12 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 2.97 1.57 -2.97 2.13 1.44 -1.26 -4.98 115.22 114.11 2k8m n HIS 98 Ca 0.67 0.62 0.00 0.00 -2.01 0.00 0.00 57.72 57.00 2k8m n HIS 98 Cb 0.42 -2.35 0.00 0.00 0.12 0.00 0.00 29.99 28.18 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 2.80 1.69 -4.65 4.39 -0.08 -1.26 -4.83 116.55 114.61 2k8m n ASP 99 Ca 0.19 -0.13 -0.43 0.00 -1.51 0.00 0.00 54.79 52.92 2k8m n ASP 99 Cb 0.19 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.62 2k8m n ASP 99 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2k8m s ILE 100 N 0.92 4.35 0.11 5.18 1.01 -1.26 -3.75 121.20 127.76 2k8m s ILE 100 Ca 0.00 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.21 2k8m s ILE 100 Cb 0.00 -4.15 -0.23 0.00 0.01 0.00 0.00 42.46 38.09 2k8m s ILE 100 CO 0.00 -0.27 1.23 0.40 0.00 0.00 0.00 174.94 176.30 2k8m h ILE 101 N 5.64 1.45 -1.45 2.92 1.08 -1.72 -3.40 117.51 122.03 2k8m h ILE 101 Ca -0.24 -2.76 0.32 0.00 -0.39 0.00 0.00 64.86 61.80 2k8m h ILE 101 Cb 1.09 2.68 -0.12 0.00 -3.07 0.00 0.00 36.82 37.40 2k8m h ILE 101 CO 1.00 0.81 0.82 -0.83 -0.69 0.00 0.00 178.15 179.26 2k8m s GLY 102 N -4.54 -0.41 0.35 5.37 0.00 -1.25 -4.28 107.32 102.55 2k8m s GLY 102 Ca -0.05 0.70 -0.17 0.00 0.00 0.00 0.00 44.72 45.20 2k8m s GLY 102 CO 0.87 0.12 0.81 -1.83 0.00 0.00 0.00 173.10 173.07 2k8m s GLU 103 N -2.44 2.09 -0.14 2.90 -1.05 0.11 -0.37 118.70 119.80 2k8m s GLU 103 Ca 0.14 -1.32 -0.24 0.00 -0.15 0.00 0.00 54.97 53.40 2k8m s GLU 103 Cb 0.05 0.60 0.06 0.00 -0.44 0.00 0.00 34.13 34.40 2k8m s GLU 103 CO -0.04 -0.97 0.60 -0.59 0.95 0.00 0.00 175.26 175.21 2k8m s PHE 104 N -2.51 -0.61 0.04 4.83 -0.12 -0.55 -1.47 117.98 117.58 2k8m s PHE 104 Ca 0.15 1.32 -0.02 0.00 -0.05 0.00 0.00 56.93 58.33 2k8m s PHE 104 Cb -0.05 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 2k8m s PHE 104 CO 0.10 -0.43 -0.00 -1.59 -0.05 0.00 0.00 175.22 173.24 2k8m s LYS 105 N -0.39 0.52 -0.14 1.99 0.00 -1.26 -1.53 119.74 118.92 2k8m s LYS 105 Ca -0.05 -0.95 -0.09 0.00 0.00 0.00 0.00 55.97 54.88 2k8m s LYS 105 Cb -0.03 0.19 0.05 0.00 0.00 0.00 0.00 37.83 38.04 2k8m s LYS 105 CO 0.04 -0.10 0.35 0.54 0.00 0.00 0.00 175.35 176.18 2k8m s VAL 106 N -2.95 -0.02 -0.36 1.79 0.11 -1.26 -5.09 120.40 112.63 2k8m s VAL 106 Ca -0.02 0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 58.84 2k8m s VAL 106 Cb 0.01 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 2k8m s VAL 106 CO -0.06 0.04 2.06 -2.16 -3.33 0.00 0.00 175.10 171.64 2k8m s PRO 107 N 1.06 2.95 0.58 1.54 0.04 -1.26 -4.39 135.00 135.52 2k8m s PRO 107 Ca -0.07 1.52 0.35 0.00 0.04 0.00 0.00 61.00 62.85 2k8m s PRO 107 Cb -0.08 -4.35 1.79 0.00 0.04 0.00 0.00 34.50 31.90 2k8m s PRO 107 CO -0.08 -2.31 2.16 0.52 0.04 0.00 0.00 177.00 177.32 2k8m h MET 108 N 15.11 0.00 0.00 4.56 2.86 -1.80 -1.72 114.93 133.95 2k8m h MET 108 Ca -0.33 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 2k8m h MET 108 Cb 1.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.87 2k8m h MET 108 CO 1.05 0.04 -0.05 -0.97 1.06 0.00 0.00 176.91 178.05 2k8m h ASN 109 N 0.00 0.00 0.78 1.22 -1.24 -1.69 -1.36 115.58 113.30 2k8m h ASN 109 Ca -0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2k8m h ASN 109 Cb 0.26 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 2k8m h ASN 109 CO 0.01 0.05 -1.28 0.41 -1.29 0.00 0.00 177.43 175.32 2k8m n THR 110 N -4.44 0.89 -2.93 -3.57 -1.04 -0.66 -4.68 114.28 97.86 2k8m n THR 110 Ca -0.03 -0.62 -0.44 0.00 -2.04 0.00 0.00 64.05 60.92 2k8m n THR 110 Cb 0.13 -0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 68.09 2k8m n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k8m s VAL 111 N -3.14 4.66 0.43 12.58 1.01 -0.51 -5.02 120.40 130.42 2k8m s VAL 111 Ca -0.02 -1.30 -0.25 0.00 0.00 0.00 0.00 61.98 60.41 2k8m s VAL 111 Cb 0.09 -4.74 -0.08 0.00 0.00 0.00 0.00 36.38 31.65 2k8m s VAL 111 CO 0.81 -1.47 1.25 1.51 0.00 0.00 0.00 175.10 177.20 2k8m s ASP 112 N 3.63 6.22 -1.39 3.32 -4.77 -1.26 -4.88 116.67 117.54 2k8m s ASP 112 Ca 0.29 2.53 -0.08 0.00 -3.30 0.00 0.00 52.55 51.98 2k8m s ASP 112 Cb -0.09 -2.63 0.08 0.00 -1.09 0.00 0.00 42.92 39.20 2k8m s ASP 112 CO -0.04 -0.90 2.35 2.22 0.70 0.00 0.00 175.17 179.50 2k8m n PHE 113 N -0.12 2.76 0.16 2.11 -1.74 -1.26 -4.70 117.46 114.66 2k8m n PHE 113 Ca 0.05 -2.89 -0.14 0.00 -0.56 0.00 0.00 57.45 53.92 2k8m n PHE 113 Cb 0.45 -2.09 -0.08 0.00 1.52 0.00 0.00 39.48 39.28 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 7.01 -0.42 0.00 4.97 0.00 -1.99 -3.48 103.07 109.16 2k8m h GLY 114 Ca 0.64 0.16 0.00 0.00 0.00 0.00 0.00 47.33 48.13 2k8m h GLY 114 CO 1.63 -0.15 0.00 1.42 0.00 0.00 0.00 176.54 179.44 2k8m n HIS 115 N -5.15 0.00 -3.77 5.60 8.25 -1.26 -5.08 115.22 113.81 2k8m n HIS 115 Ca -0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.12 2k8m n HIS 115 Cb 0.25 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.19 2k8m n HIS 115 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2k8m s VAL 116 N 0.00 0.45 -0.84 1.59 -7.23 -1.26 -3.37 120.40 109.74 2k8m s VAL 116 Ca 0.00 -0.09 -0.19 0.00 -1.81 0.00 0.00 61.98 59.89 2k8m s VAL 116 Cb 0.00 -0.70 0.13 0.00 0.56 0.00 0.00 36.38 36.37 2k8m s VAL 116 CO 0.00 0.13 1.01 -0.89 -0.31 0.00 0.00 175.10 175.04 2k8m s THR 117 N 1.93 4.78 -0.22 5.32 2.01 0.52 -4.90 115.64 125.07 2k8m s THR 117 Ca 0.03 -1.43 -0.04 0.00 0.31 0.00 0.00 61.69 60.56 2k8m s THR 117 Cb -0.14 -4.69 -0.01 0.00 0.01 0.00 0.00 72.50 67.67 2k8m s THR 117 CO -0.06 -1.40 -0.03 -1.61 -0.69 0.00 0.00 174.62 170.83 2k8m s GLU 118 N 2.60 3.44 0.34 4.92 2.02 -1.26 -0.92 118.70 129.83 2k8m s GLU 118 Ca 0.27 -0.60 -0.17 0.00 0.02 0.00 0.00 54.97 54.49 2k8m s GLU 118 Cb -0.10 -3.04 0.04 0.00 0.10 0.00 0.00 34.13 31.13 2k8m s GLU 118 CO -0.05 -0.16 0.73 -1.83 0.02 0.00 0.00 175.26 173.98 2k8m s GLU 119 N 1.39 2.01 -0.47 1.61 -1.05 -1.08 -5.03 118.70 116.08 2k8m s GLU 119 Ca 0.05 -1.27 -0.10 0.00 -0.15 0.00 0.00 54.97 53.50 2k8m s GLU 119 Cb -0.14 0.60 0.12 0.00 -0.44 0.00 0.00 34.13 34.27 2k8m s GLU 119 CO -0.02 -0.93 0.35 -1.58 0.95 0.00 0.00 175.26 174.04 2k8m s TRP 120 N -3.05 3.42 0.28 4.83 0.23 -1.26 -2.86 118.94 120.52 2k8m s TRP 120 Ca 0.15 -1.84 -0.23 0.00 -2.03 0.00 0.00 56.10 52.15 2k8m s TRP 120 Cb -0.05 -3.50 -0.09 0.00 0.03 0.00 0.00 33.47 29.86 2k8m s TRP 120 CO 0.10 -0.99 0.85 0.50 0.96 0.00 0.00 176.95 178.37 2k8m s ARG 121 N 1.37 4.45 0.24 4.98 6.06 -0.44 -4.86 118.95 130.75 2k8m s ARG 121 Ca 0.06 1.14 -0.20 0.00 -2.50 0.00 0.00 55.73 54.23 2k8m s ARG 121 Cb -0.26 -2.84 -0.08 0.00 0.06 0.00 0.00 34.95 31.83 2k8m s ARG 121 CO -0.00 0.33 0.75 0.16 -2.50 0.00 0.00 175.30 174.03 2k8m s ASP 122 N -1.63 7.06 -0.22 -2.12 -4.77 -1.26 0.36 116.67 114.09 2k8m s ASP 122 Ca 0.47 1.45 -0.10 0.00 -3.30 0.00 0.00 52.55 51.07 2k8m s ASP 122 Cb -0.18 -2.43 -0.05 0.00 -1.09 0.00 0.00 42.92 39.17 2k8m s ASP 122 CO 0.23 -0.00 0.15 -0.76 0.70 0.00 0.00 175.17 175.49 2k8m s LEU 123 N -2.08 4.17 -0.22 2.11 1.43 0.32 -4.80 118.68 119.60 2k8m s LEU 123 Ca 0.45 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.67 2k8m s LEU 123 Cb -0.16 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2k8m s LEU 123 CO 0.21 0.12 0.04 -1.10 0.23 0.00 0.00 176.35 175.86 2k8m s GLN 124 N 0.67 3.67 -1.24 1.70 -1.52 -0.54 -0.45 119.66 121.95 2k8m s GLN 124 Ca 0.08 -0.48 -0.16 0.00 -1.95 0.00 0.00 55.36 52.85 2k8m s GLN 124 Cb -0.12 -3.22 -0.03 0.00 -0.22 0.00 0.00 33.01 29.42 2k8m s GLN 124 CO 0.01 -0.07 2.15 -1.13 -0.25 0.00 0.00 175.29 176.00 2k8m n SER 125 N 4.54 3.59 -4.57 5.90 3.41 -1.26 0.09 113.62 125.32 2k8m n SER 125 Ca -0.17 -2.78 -0.42 0.00 -0.26 0.00 0.00 58.87 55.25 2k8m n SER 125 Cb 0.52 -1.48 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 2k8m n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k8m s ALA 126 N 3.73 2.98 -0.31 7.33 0.00 -1.26 -4.79 121.76 129.44 2k8m s ALA 126 Ca 0.51 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 51.27 2k8m s ALA 126 Cb 0.14 -4.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.19 2k8m s ALA 126 CO -0.02 -2.71 1.89 -1.21 0.00 0.00 0.00 175.76 173.71 2k8m s GLU 127 N 4.97 3.28 0.00 0.00 2.02 -1.26 -4.61 118.70 123.11 2k8m s GLU 127 Ca 0.41 1.56 0.24 0.00 0.02 0.00 0.00 54.97 57.20 2k8m s GLU 127 Cb -0.08 -4.24 0.25 0.00 0.10 0.00 0.00 34.13 30.17 2k8m s GLU 127 CO 0.24 -1.92 1.30 1.63 0.02 0.00 0.00 175.26 176.53