#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8q n ILE 2 N 0.00 1.45 -1.54 -0.61 5.41 -1.24 -4.98 119.36 117.84 2k8q n ILE 2 Ca 0.00 -0.75 -0.41 0.00 1.00 0.00 0.00 62.75 62.60 2k8q n ILE 2 Cb 0.00 -0.88 0.02 0.00 -0.71 0.00 0.00 39.64 38.07 2k8q n ILE 2 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 2k8q n THR 3 N -2.97 2.35 -0.02 1.39 5.66 -1.26 -4.92 114.28 114.49 2k8q n THR 3 Ca -0.37 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.00 2k8q n THR 3 Cb 1.09 -0.89 -0.09 0.00 -1.55 0.00 0.00 70.33 68.89 2k8q n THR 3 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2k8q h PRO 4 N 1.02 0.09 -2.53 1.09 0.13 -1.94 -3.47 132.00 126.38 2k8q h PRO 4 Ca -0.44 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 2k8q h PRO 4 Cb 1.37 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.33 2k8q h PRO 4 CO 0.53 0.55 0.07 1.03 -0.23 0.00 0.00 178.00 179.95 2k8q s ARG 5 N -4.28 1.02 -0.20 0.86 3.00 -1.25 -5.09 118.95 112.99 2k8q s ARG 5 Ca -0.15 -0.06 -0.27 0.00 0.00 0.00 0.00 55.73 55.24 2k8q s ARG 5 Cb 0.03 0.47 0.10 0.00 0.00 0.00 0.00 34.95 35.54 2k8q s ARG 5 CO 0.69 -0.35 0.87 -0.59 0.00 0.00 0.00 175.30 175.92 2k8q s PHE 6 N -1.94 -0.57 -0.02 -0.53 -0.12 -1.26 -1.16 117.98 112.37 2k8q s PHE 6 Ca -0.08 1.25 0.06 0.00 -0.05 0.00 0.00 56.93 58.11 2k8q s PHE 6 Cb -0.01 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 2k8q s PHE 6 CO 0.03 -0.37 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.51 2k8q s SER 7 N -0.31 2.30 -0.04 1.98 0.01 0.05 -4.96 113.70 112.74 2k8q s SER 7 Ca -0.02 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.91 2k8q s SER 7 Cb -0.03 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.90 2k8q s SER 7 CO 0.01 0.24 -0.07 -0.63 0.41 0.00 0.00 173.24 173.19 2k8q s ILE 8 N -0.44 3.64 0.04 1.44 1.01 -1.26 0.21 121.20 125.84 2k8q s ILE 8 Ca 0.07 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.15 2k8q s ILE 8 Cb -0.08 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2k8q s ILE 8 CO -0.01 0.51 -0.15 -0.89 0.00 0.00 0.00 174.94 174.41 2k8q s THR 9 N -0.89 1.17 0.02 2.92 2.01 0.79 -4.86 115.64 116.80 2k8q s THR 9 Ca 0.14 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.18 2k8q s THR 9 Cb -0.11 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 2k8q s THR 9 CO 0.04 0.02 -0.14 0.00 -0.69 0.00 0.00 174.62 173.86 2k8q s GLN 10 N -1.14 2.28 0.40 4.92 0.00 -1.26 -0.79 119.66 124.06 2k8q s GLN 10 Ca 0.02 -0.87 0.04 0.00 -0.00 0.00 0.00 55.36 54.55 2k8q s GLN 10 Cb -0.08 -2.31 -0.03 0.00 0.00 0.00 0.00 33.01 30.59 2k8q s GLN 10 CO 0.01 0.57 0.11 -0.51 0.00 0.00 0.00 175.29 175.48 2k8q s ASP 11 N -1.37 2.74 -0.14 12.60 1.01 -0.75 -4.93 116.67 125.83 2k8q s ASP 11 Ca 0.15 -1.63 0.09 0.00 0.71 0.00 0.00 52.55 51.87 2k8q s ASP 11 Cb -0.11 0.42 0.51 0.00 1.01 0.00 0.00 42.92 44.75 2k8q s ASP 11 CO 0.06 -0.88 1.28 -1.84 0.21 0.00 0.00 175.17 174.00 2k8q n GLU 12 N -0.88 3.39 0.00 8.23 0.28 -1.26 -4.24 120.64 126.16 2k8q n GLU 12 Ca -0.06 -1.96 0.00 0.00 -0.16 0.00 0.00 57.16 54.98 2k8q n GLU 12 Cb 0.65 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.56 2k8q n GLU 12 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2k8q n GLU 13 N 0.41 0.00 -3.55 3.44 0.28 -1.26 -1.55 120.64 118.41 2k8q n GLU 13 Ca 0.17 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.07 2k8q n GLU 13 Cb 0.83 -0.31 0.00 0.00 1.43 0.00 0.00 31.44 33.39 2k8q n GLU 13 CO 0.00 0.00 0.00 1.97 -0.16 0.00 0.00 177.13 178.94 2k8q n PHE 14 N -1.66 -1.83 -4.25 -1.84 -1.74 -1.26 -4.08 117.46 100.79 2k8q n PHE 14 Ca 0.00 -1.83 -0.34 0.00 -0.56 0.00 0.00 57.45 54.72 2k8q n PHE 14 Cb 0.00 0.67 -0.08 0.00 1.52 0.00 0.00 39.48 41.59 2k8q n PHE 14 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 2k8q s ILE 15 N -2.46 4.49 -0.33 1.97 -1.09 -0.70 -1.81 121.20 121.27 2k8q s ILE 15 Ca 0.19 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.35 2k8q s ILE 15 Cb -0.03 -2.95 0.10 0.00 -1.58 0.00 0.00 42.46 38.00 2k8q s ILE 15 CO 0.14 0.51 0.04 0.12 -1.23 0.00 0.00 174.94 174.52 2k8q s PHE 16 N -1.00 3.66 -0.24 3.97 5.36 0.03 -2.45 117.98 127.31 2k8q s PHE 16 Ca 0.17 -2.91 -0.14 0.00 -0.96 0.00 0.00 56.93 53.09 2k8q s PHE 16 Cb -0.12 -2.81 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 2k8q s PHE 16 CO 0.06 -0.94 0.30 -1.17 -1.46 0.00 0.00 175.22 172.01 2k8q s LEU 17 N 0.94 4.10 -0.02 6.12 1.98 0.32 -0.15 118.68 131.97 2k8q s LEU 17 Ca 0.10 0.28 0.02 0.00 -2.89 0.00 0.00 54.13 51.64 2k8q s LEU 17 Cb -0.19 -2.33 -0.03 0.00 0.66 0.00 0.00 46.19 44.29 2k8q s LEU 17 CO -0.08 -0.06 -0.05 -0.75 -1.89 0.00 0.00 176.35 173.51 2k8q s LYS 18 N 1.50 2.69 -0.08 1.98 2.20 0.13 0.06 119.74 128.22 2k8q s LYS 18 Ca 0.13 -0.63 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 2k8q s LYS 18 Cb -0.15 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.60 2k8q s LYS 18 CO 0.08 0.63 -0.14 0.42 -0.36 0.00 0.00 175.35 175.98 2k8q s ILE 19 N -0.96 1.32 -0.34 5.43 1.09 0.21 -0.77 121.20 127.19 2k8q s ILE 19 Ca 0.16 -0.57 -0.19 0.00 -1.10 0.00 0.00 60.65 58.95 2k8q s ILE 19 Cb -0.11 -1.21 -0.01 0.00 -1.06 0.00 0.00 42.46 40.08 2k8q s ILE 19 CO 0.06 0.40 0.57 -0.36 -0.10 0.00 0.00 174.94 175.51 2k8q s PHE 20 N 0.79 3.18 0.37 3.97 0.08 -0.31 -0.77 117.98 125.29 2k8q s PHE 20 Ca -0.11 0.34 0.06 0.00 0.12 0.00 0.00 56.93 57.34 2k8q s PHE 20 Cb -0.16 -2.98 -0.02 0.00 -0.57 0.00 0.00 43.02 39.29 2k8q s PHE 20 CO 0.02 -0.53 0.22 0.44 -0.10 0.00 0.00 175.22 175.27 2k8q n ILE 21 N 5.45 0.00 -3.30 0.64 -5.35 -1.22 -3.95 119.36 111.62 2k8q n ILE 21 Ca -0.03 -2.41 -0.00 0.00 -0.27 0.00 0.00 62.75 60.04 2k8q n ILE 21 Cb 0.49 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 2k8q n ILE 21 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2k8q n SER 22 N -1.61 0.63 -1.57 7.28 2.88 -1.26 -4.60 113.62 115.36 2k8q n SER 22 Ca 0.01 -1.03 0.03 0.00 -1.33 0.00 0.00 58.87 56.55 2k8q n SER 22 Cb 0.61 -0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.35 2k8q n SER 22 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k8q n ASN 23 N -2.40 4.39 -3.18 -3.46 3.02 -1.26 -4.96 115.26 107.41 2k8q n ASN 23 Ca 0.00 -2.74 -0.18 0.00 -0.03 0.00 0.00 54.58 51.64 2k8q n ASN 23 Cb 0.01 -0.65 0.17 0.00 -0.61 0.00 0.00 39.78 38.70 2k8q n ASN 23 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2k8q n ILE 24 N 0.33 0.00 -1.52 2.41 -6.64 -1.26 -4.67 119.36 108.01 2k8q n ILE 24 Ca 0.23 0.00 -0.40 0.00 -1.77 0.00 0.00 62.75 60.81 2k8q n ILE 24 Cb 0.99 -0.56 -0.07 0.00 -1.44 0.00 0.00 39.64 38.56 2k8q n ILE 24 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 2k8q n ARG 25 N -3.73 0.74 -3.78 6.28 1.74 -1.26 -4.89 116.66 111.76 2k8q n ARG 25 Ca 0.08 0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.84 2k8q n ARG 25 Cb 0.34 -2.72 -0.12 0.00 -1.02 0.00 0.00 32.46 28.95 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2k8q s PHE 26 N 10.55 3.54 0.37 -1.55 2.19 -1.26 -4.85 117.98 126.96 2k8q s PHE 26 Ca 1.11 -2.31 0.07 0.00 0.33 0.00 0.00 56.93 56.14 2k8q s PHE 26 Cb -0.60 -3.09 -0.01 0.00 -1.31 0.00 0.00 43.02 38.02 2k8q s PHE 26 CO 0.36 -0.95 0.46 -1.12 1.83 0.00 0.00 175.22 175.80 2k8q s SER 27 N 1.78 5.67 -0.22 6.13 0.01 -1.26 -5.03 113.70 120.78 2k8q s SER 27 Ca 0.06 -0.37 0.14 0.00 1.31 0.00 0.00 55.95 57.10 2k8q s SER 27 Cb -0.22 -0.96 0.54 0.00 0.21 0.00 0.00 66.02 65.59 2k8q s SER 27 CO -0.03 -0.53 1.46 0.00 0.41 0.00 0.00 173.24 174.54 2k8q n ALA 28 N -1.64 3.42 -0.04 1.44 0.00 -1.26 -4.42 120.51 118.00 2k8q n ALA 28 Ca 0.02 -2.51 -0.10 0.00 0.00 0.00 0.00 53.44 50.85 2k8q n ALA 28 Cb 0.59 -0.76 -0.15 0.00 0.00 0.00 0.00 19.45 19.13 2k8q n ALA 28 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2k8q n VAL 29 N -0.65 1.56 0.00 0.00 3.14 -1.26 -4.33 118.33 116.79 2k8q n VAL 29 Ca 0.26 -0.80 0.10 0.00 -2.96 0.00 0.00 64.34 60.94 2k8q n VAL 29 Cb 0.97 -0.94 -0.14 0.00 -1.06 0.00 0.00 33.84 32.67 2k8q n VAL 29 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k8q n GLY 30 N 1.66 -1.08 3.46 7.55 0.00 -1.26 -4.93 105.19 110.58 2k8q n GLY 30 Ca -0.23 -0.45 -0.52 0.00 0.00 0.00 0.00 46.02 44.82 2k8q n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k8q n LEU 31 N -2.37 2.09 -2.68 0.99 4.32 -1.26 -4.56 117.00 113.53 2k8q n LEU 31 Ca -0.05 0.50 -0.02 0.00 -0.02 0.00 0.00 56.01 56.42 2k8q n LEU 31 Cb 0.61 -1.23 0.03 0.00 -1.62 0.00 0.00 43.42 41.21 2k8q n LEU 31 CO 0.45 -0.69 0.51 -1.61 -1.22 0.00 0.00 177.39 174.83 2k8q s GLU 32 N 5.93 0.13 -0.01 3.23 0.41 -1.26 -5.01 118.70 122.12 2k8q s GLU 32 Ca 1.09 -0.11 -0.23 0.00 -0.41 0.00 0.00 54.97 55.31 2k8q s GLU 32 Cb -0.92 -0.00 -0.05 0.00 -1.78 0.00 0.00 34.13 31.38 2k8q s GLU 32 CO 0.52 -0.16 0.70 0.42 -0.49 0.00 0.00 175.26 176.24 2k8q s ILE 33 N 1.21 4.91 0.16 -1.63 1.01 -1.26 -4.43 121.20 121.18 2k8q s ILE 33 Ca 0.21 1.46 0.08 0.00 0.00 0.00 0.00 60.65 62.41 2k8q s ILE 33 Cb 0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2k8q s ILE 33 CO -0.12 0.33 -0.18 0.27 0.00 0.00 0.00 174.94 175.24 2k8q s ILE 34 N 0.29 1.79 -0.14 2.92 -5.25 -1.08 -4.98 121.20 114.75 2k8q s ILE 34 Ca 0.36 -1.92 -0.00 0.00 -0.99 0.00 0.00 60.65 58.10 2k8q s ILE 34 Cb -0.19 -1.84 -0.01 0.00 2.95 0.00 0.00 42.46 43.37 2k8q s ILE 34 CO 0.20 -0.34 -0.13 -0.63 -1.79 0.00 0.00 174.94 172.25 2k8q s ILE 35 N -2.10 2.99 0.36 8.37 1.09 -1.26 -0.92 121.20 129.73 2k8q s ILE 35 Ca 0.16 -0.68 -0.06 0.00 -1.10 0.00 0.00 60.65 58.97 2k8q s ILE 35 Cb -0.05 -2.26 0.09 0.00 -1.06 0.00 0.00 42.46 39.18 2k8q s ILE 35 CO 0.06 0.52 0.39 0.00 -0.10 0.00 0.00 174.94 175.82 2k8q n GLN 36 N 3.65 -1.11 -0.30 2.79 1.13 0.13 -4.55 117.38 119.12 2k8q n GLN 36 Ca -0.18 -0.62 0.20 0.00 -1.94 0.00 0.00 57.00 54.46 2k8q n GLN 36 Cb 0.52 -0.49 0.49 0.00 0.11 0.00 0.00 30.24 30.87 2k8q n GLN 36 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 2k8q h GLU 37 N 0.00 0.43 0.00 -1.09 4.11 -2.00 -3.39 114.58 112.64 2k8q h GLU 37 Ca -0.14 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2k8q h GLU 37 Cb 0.40 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2k8q h GLU 37 CO 0.09 0.29 -0.05 0.27 0.07 0.00 0.00 179.01 179.68 2k8q n ASN 38 N -4.59 -0.01 -4.78 3.06 6.94 -1.26 -3.96 115.26 110.64 2k8q n ASN 38 Ca 0.23 0.06 -0.29 0.00 -0.02 0.00 0.00 54.58 54.56 2k8q n ASN 38 Cb 0.77 0.05 0.13 0.00 -2.36 0.00 0.00 39.78 38.38 2k8q n ASN 38 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k8q s MET 39 N -2.00 1.15 -0.04 -3.83 0.23 -1.26 -2.64 119.30 110.91 2k8q s MET 39 Ca 0.00 0.28 0.07 0.00 -1.03 0.00 0.00 55.69 55.01 2k8q s MET 39 Cb 0.00 -1.84 -0.02 0.00 -1.53 0.00 0.00 34.83 31.44 2k8q s MET 39 CO 0.00 -2.19 -0.25 0.42 -2.03 0.00 0.00 175.02 170.98 2k8q s ILE 40 N -3.29 2.13 -0.24 3.16 1.01 -0.39 0.19 121.20 123.78 2k8q s ILE 40 Ca 0.64 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 2k8q s ILE 40 Cb -0.15 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2k8q s ILE 40 CO 0.53 0.58 0.02 -0.63 0.00 0.00 0.00 174.94 175.44 2k8q s ILE 41 N -0.45 3.92 -0.49 2.92 -1.09 -0.09 -1.69 121.20 124.22 2k8q s ILE 41 Ca 0.05 -0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 57.99 2k8q s ILE 41 Cb -0.11 -2.82 0.08 0.00 -1.58 0.00 0.00 42.46 38.02 2k8q s ILE 41 CO 0.01 0.36 0.47 0.12 -1.23 0.00 0.00 174.94 174.67 2k8q s PHE 42 N 1.56 3.19 -0.13 3.97 5.36 0.37 -2.65 117.98 129.65 2k8q s PHE 42 Ca 0.06 -0.87 0.21 0.00 -0.96 0.00 0.00 56.93 55.37 2k8q s PHE 42 Cb -0.15 -3.35 -0.32 0.00 -0.34 0.00 0.00 43.02 38.87 2k8q s PHE 42 CO 0.01 -0.89 0.51 1.58 -1.46 0.00 0.00 175.22 174.96 2k8q n HIS 43 N 5.48 0.00 -0.90 10.12 -0.00 -1.26 -1.48 115.22 127.18 2k8q n HIS 43 Ca -0.11 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.73 2k8q n HIS 43 Cb 0.44 -0.43 0.11 0.00 -0.12 0.00 0.00 29.99 29.98 2k8q n HIS 43 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2k8q n LEU 44 N -2.16 -0.23 -1.41 0.27 0.00 -1.26 -4.73 117.00 107.47 2k8q n LEU 44 Ca -0.03 0.38 0.18 0.00 0.00 0.00 0.00 56.01 56.53 2k8q n LEU 44 Cb 0.53 -1.19 -0.08 0.00 0.00 0.00 0.00 43.42 42.68 2k8q n LEU 44 CO 0.44 -3.62 -0.52 -1.54 0.00 0.00 0.00 177.39 172.14 2k8q n SER 45 N -0.93 -8.15 0.00 1.96 3.41 -1.26 -4.18 113.62 104.47 2k8q n SER 45 Ca 0.07 1.19 0.07 0.00 -0.26 0.00 0.00 58.87 59.94 2k8q n SER 45 Cb 0.53 -4.70 0.38 0.00 -0.26 0.00 0.00 64.21 60.16 2k8q n SER 45 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2k8q n PRO 46 N -4.28 0.23 -4.53 4.33 -0.04 -1.26 -4.62 135.00 124.82 2k8q n PRO 46 Ca -0.06 0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 63.20 2k8q n PRO 46 Cb 0.66 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.49 2k8q n PRO 46 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2k8q s TYR 47 N -2.53 2.93 -0.13 0.54 2.02 -1.26 -5.10 117.35 113.82 2k8q s TYR 47 Ca 0.15 -0.49 -0.17 0.00 -0.37 0.00 0.00 57.07 56.19 2k8q s TYR 47 Cb 0.10 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2k8q s TYR 47 CO 0.22 -0.14 0.43 -0.47 -1.57 0.00 0.00 175.55 174.02 2k8q s TYR 48 N 0.43 3.50 0.02 2.71 6.14 -1.26 -4.66 117.35 124.22 2k8q s TYR 48 Ca -0.07 0.82 0.05 0.00 0.64 0.00 0.00 57.07 58.52 2k8q s TYR 48 Cb -0.15 -2.50 -0.02 0.00 0.42 0.00 0.00 41.96 39.71 2k8q s TYR 48 CO 0.04 0.19 -0.15 -1.17 0.64 0.00 0.00 175.55 175.10 2k8q s LEU 49 N 0.57 2.11 -0.09 6.97 1.98 -0.55 -2.97 118.68 126.70 2k8q s LEU 49 Ca 0.24 -0.38 0.03 0.00 -2.89 0.00 0.00 54.13 51.13 2k8q s LEU 49 Cb -0.15 -0.69 0.01 0.00 0.66 0.00 0.00 46.19 46.02 2k8q s LEU 49 CO 0.09 0.10 -0.20 -0.60 -1.89 0.00 0.00 176.35 173.85 2k8q s ARG 50 N -0.81 2.63 -0.13 1.98 3.52 -1.26 -0.48 118.95 124.40 2k8q s ARG 50 Ca 0.04 -0.73 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2k8q s ARG 50 Cb -0.07 -2.04 -0.00 0.00 -1.56 0.00 0.00 34.95 31.28 2k8q s ARG 50 CO 0.01 0.11 -0.18 -0.51 -0.81 0.00 0.00 175.30 173.91 2k8q s LEU 51 N 0.51 2.37 -0.29 -0.88 1.43 -0.68 -4.49 118.68 116.66 2k8q s LEU 51 Ca -0.16 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.50 2k8q s LEU 51 Cb -0.17 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.61 2k8q s LEU 51 CO 0.06 0.14 -0.05 -0.60 0.23 0.00 0.00 176.35 176.13 2k8q s ARG 52 N 0.50 1.93 0.25 1.70 6.06 -1.26 -1.26 118.95 126.87 2k8q s ARG 52 Ca -0.12 -1.50 0.00 0.00 -2.50 0.00 0.00 55.73 51.61 2k8q s ARG 52 Cb -0.16 -2.97 -0.04 0.00 0.06 0.00 0.00 34.95 31.84 2k8q s ARG 52 CO 0.05 -0.70 0.43 -0.06 -2.50 0.00 0.00 175.30 172.52 2k8q s PHE 53 N 1.06 3.48 -1.35 5.12 0.08 -1.26 -4.56 117.98 120.55 2k8q s PHE 53 Ca -0.02 0.31 0.15 0.00 0.12 0.00 0.00 56.93 57.49 2k8q s PHE 53 Cb -0.20 -1.84 0.72 0.00 -0.57 0.00 0.00 43.02 41.14 2k8q s PHE 53 CO -0.06 0.32 1.42 -0.35 -0.10 0.00 0.00 175.22 176.44 2k8q n PRO 54 N -1.04 0.17 -1.95 0.24 -0.04 -1.26 -4.76 135.00 126.36 2k8q n PRO 54 Ca -0.05 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 2k8q n PRO 54 Cb 0.55 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2k8q n PRO 54 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2k8q n HIS 55 N -1.33 -0.86 -4.09 0.54 8.25 -1.26 -5.14 115.22 111.34 2k8q n HIS 55 Ca 0.06 -0.27 -0.27 0.00 -0.26 0.00 0.00 57.72 56.98 2k8q n HIS 55 Cb 0.13 -0.05 -0.17 0.00 1.12 0.00 0.00 29.99 31.02 2k8q n HIS 55 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 2k8q s GLU 56 N -2.23 1.77 0.37 -0.41 -1.05 -1.26 -4.59 118.70 111.29 2k8q s GLU 56 Ca 0.02 -0.37 0.06 0.00 -0.15 0.00 0.00 54.97 54.53 2k8q s GLU 56 Cb -0.00 -1.69 0.06 0.00 -0.44 0.00 0.00 34.13 32.06 2k8q s GLU 56 CO 0.01 -0.20 0.47 1.28 0.95 0.00 0.00 175.26 177.77 2k8q n LEU 57 N 4.66 0.00 -3.80 1.83 4.77 -1.08 -3.76 117.00 119.62 2k8q n LEU 57 Ca -0.16 -1.63 -0.12 0.00 -0.03 0.00 0.00 56.01 54.06 2k8q n LEU 57 Cb 0.50 -0.23 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 2k8q n LEU 57 CO 0.20 -0.61 -0.08 -0.51 -1.33 0.00 0.00 177.39 175.06 2k8q s ILE 58 N -1.37 0.03 -0.41 -0.08 2.07 -0.84 -4.32 121.20 116.29 2k8q s ILE 58 Ca 0.35 -0.25 -0.11 0.00 -1.41 0.00 0.00 60.65 59.23 2k8q s ILE 58 Cb -0.03 -0.43 0.05 0.00 0.13 0.00 0.00 42.46 42.18 2k8q s ILE 58 CO 0.22 -0.14 0.27 -0.62 -1.91 0.00 0.00 174.94 172.76 2k8q s ASP 59 N -0.50 5.80 0.00 4.50 2.15 -1.26 -3.44 116.67 123.92 2k8q s ASP 59 Ca -0.06 -1.22 0.00 0.00 0.43 0.00 0.00 52.55 51.70 2k8q s ASP 59 Cb -0.04 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 2k8q s ASP 59 CO 0.01 -0.49 0.00 -0.67 -0.17 0.00 0.00 175.17 173.85 2k8q n ASP 60 N 5.02 1.65 -0.11 -0.34 2.03 -1.26 -4.98 116.55 118.55 2k8q n ASP 60 Ca -0.11 -0.70 -0.01 0.00 0.52 0.00 0.00 54.79 54.48 2k8q n ASP 60 Cb 0.45 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.08 2k8q n ASP 60 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k8q h GLU 61 N 0.00 0.78 -0.19 -0.67 5.08 -2.04 -2.15 114.58 115.39 2k8q h GLU 61 Ca 0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2k8q h GLU 61 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2k8q h GLU 61 CO 0.00 0.67 0.07 0.07 -1.00 0.00 0.00 179.01 178.83 2k8q h ARG 62 N 0.77 0.27 -6.41 2.33 -0.00 -1.99 -3.43 114.38 105.91 2k8q h ARG 62 Ca 0.18 -0.03 -0.63 0.00 -0.00 0.00 0.00 59.98 59.50 2k8q h ARG 62 Cb 0.21 -0.05 0.07 0.00 -0.00 0.00 0.00 29.97 30.20 2k8q h ARG 62 CO -0.01 0.23 0.48 -1.13 -0.00 0.00 0.00 179.97 179.54 2k8q n SER 63 N -4.45 2.04 -3.60 0.08 3.41 -0.81 -4.94 113.62 105.35 2k8q n SER 63 Ca -0.00 1.13 0.01 0.00 -0.26 0.00 0.00 58.87 59.75 2k8q n SER 63 Cb 0.12 -1.30 -0.01 0.00 -0.26 0.00 0.00 64.21 62.76 2k8q n SER 63 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2k8q s THR 64 N 0.15 0.00 0.01 6.66 -1.32 -1.18 -4.94 115.64 115.02 2k8q s THR 64 Ca 0.75 -0.06 0.03 0.00 -1.21 0.00 0.00 61.69 61.20 2k8q s THR 64 Cb -0.79 -1.64 -0.01 0.00 -1.51 0.00 0.00 72.50 68.55 2k8q s THR 64 CO 0.48 0.00 -0.08 0.00 -2.21 0.00 0.00 174.62 172.81 2k8q s ALA 65 N -2.17 0.68 -0.07 11.08 0.00 -1.26 -1.34 121.76 128.67 2k8q s ALA 65 Ca 0.13 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.66 2k8q s ALA 65 Cb 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 2k8q s ALA 65 CO -0.05 0.12 -0.22 -0.65 0.00 0.00 0.00 175.76 174.96 2k8q s GLN 66 N -0.62 2.46 -0.12 0.00 -1.52 0.49 -4.96 119.66 115.38 2k8q s GLN 66 Ca -0.00 -0.80 -0.24 0.00 -1.95 0.00 0.00 55.36 52.38 2k8q s GLN 66 Cb -0.05 -2.01 -0.03 0.00 -0.22 0.00 0.00 33.01 30.70 2k8q s GLN 66 CO 0.00 0.27 0.73 -0.47 -0.25 0.00 0.00 175.29 175.57 2k8q s TYR 67 N 0.08 3.49 -0.24 0.91 5.04 -1.26 -1.02 117.35 124.35 2k8q s TYR 67 Ca -0.09 1.19 -0.08 0.00 -2.44 0.00 0.00 57.07 55.65 2k8q s TYR 67 Cb -0.15 -2.87 -0.03 0.00 0.35 0.00 0.00 41.96 39.26 2k8q s TYR 67 CO 0.05 -0.07 0.08 -0.51 -1.34 0.00 0.00 175.55 173.77 2k8q s ASP 68 N 0.99 5.33 -0.04 4.32 1.11 0.24 -4.97 116.67 123.65 2k8q s ASP 68 Ca 0.36 -0.14 -0.04 0.00 0.18 0.00 0.00 52.55 52.92 2k8q s ASP 68 Cb -0.17 -1.96 -0.28 0.00 1.07 0.00 0.00 42.92 41.59 2k8q s ASP 68 CO 0.15 -0.00 0.70 -1.28 1.18 0.00 0.00 175.17 175.91 2k8q h SER 69 N 8.01 0.40 -0.88 0.27 0.87 -1.93 0.26 113.55 120.55 2k8q h SER 69 Ca -0.37 -0.65 0.25 0.00 -1.23 0.00 0.00 61.79 59.79 2k8q h SER 69 Cb 1.18 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 2k8q h SER 69 CO 0.59 1.55 0.63 0.07 -0.53 0.00 0.00 176.83 179.14 2k8q h LYS 70 N 0.07 0.03 0.00 2.24 5.09 -1.95 -1.76 116.57 120.28 2k8q h LYS 70 Ca -0.31 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.43 2k8q h LYS 70 Cb 2.04 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.36 2k8q h LYS 70 CO 0.14 0.02 0.00 -3.47 -2.09 0.00 0.00 179.45 174.05 2k8q n ASP 71 N -4.30 0.53 -2.19 7.07 2.03 -1.25 -5.00 116.55 113.45 2k8q n ASP 71 Ca 0.18 -0.81 -0.19 0.00 0.52 0.00 0.00 54.79 54.49 2k8q n ASP 71 Cb 0.92 0.24 -0.03 0.00 -0.72 0.00 0.00 41.12 41.53 2k8q n ASP 71 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2k8q n GLU 72 N -0.24 -1.71 -4.24 -0.67 4.71 0.79 -4.82 120.64 114.46 2k8q n GLU 72 Ca 0.00 0.97 -0.25 0.00 -0.01 0.00 0.00 57.16 57.86 2k8q n GLU 72 Cb 0.04 -5.54 -0.08 0.00 -1.01 0.00 0.00 31.44 24.85 2k8q n GLU 72 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2k8q s ILE 74 N -1.90 4.84 -0.22 0.00 -1.09 0.05 -0.60 121.20 122.29 2k8q s ILE 74 Ca 0.28 -0.03 -0.05 0.00 -2.23 0.00 0.00 60.65 58.62 2k8q s ILE 74 Cb -0.08 -3.14 -0.02 0.00 -1.58 0.00 0.00 42.46 37.64 2k8q s ILE 74 CO 0.19 0.52 0.00 0.20 -1.23 0.00 0.00 174.94 174.63 2k8q s ASN 75 N -0.19 4.75 -0.15 3.58 0.01 -0.19 -0.62 114.94 122.14 2k8q s ASN 75 Ca 0.08 -0.25 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2k8q s ASN 75 Cb -0.12 -1.82 0.00 0.00 0.41 0.00 0.00 41.25 39.72 2k8q s ASN 75 CO 0.01 0.02 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.76 2k8q s VAL 76 N 1.27 2.52 -0.05 1.60 1.01 0.11 -0.38 120.40 126.48 2k8q s VAL 76 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2k8q s VAL 76 Cb -0.15 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2k8q s VAL 76 CO 0.01 0.52 -0.08 -1.59 0.00 0.00 0.00 175.10 173.96 2k8q s LYS 77 N 0.85 2.67 -0.04 2.72 0.00 -0.45 -0.52 119.74 124.96 2k8q s LYS 77 Ca -0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 55.97 55.30 2k8q s LYS 77 Cb -0.15 -2.53 0.03 0.00 0.00 0.00 0.00 37.83 35.17 2k8q s LYS 77 CO -0.01 0.65 0.10 0.54 0.00 0.00 0.00 175.35 176.62 2k8q s VAL 78 N -0.82 -0.04 0.37 1.79 0.11 -1.03 -3.11 120.40 117.67 2k8q s VAL 78 Ca 0.13 0.15 -0.26 0.00 -2.93 0.00 0.00 61.98 59.07 2k8q s VAL 78 Cb -0.11 -0.16 -0.09 0.00 -1.53 0.00 0.00 36.38 34.49 2k8q s VAL 78 CO 0.02 0.06 1.16 0.00 -3.33 0.00 0.00 175.10 173.01 2k8q s ALA 79 N 0.87 3.22 -0.01 1.54 0.00 -1.22 -1.71 121.76 124.44 2k8q s ALA 79 Ca -0.07 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 2k8q s ALA 79 Cb -0.09 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2k8q s ALA 79 CO -0.04 -0.45 0.24 0.15 0.00 0.00 0.00 175.76 175.67 2k8q s LYS 80 N -2.14 3.54 0.40 0.00 -0.14 -1.26 -1.98 119.74 118.17 2k8q s LYS 80 Ca 0.54 -0.13 0.11 0.00 -1.36 0.00 0.00 55.97 55.14 2k8q s LYS 80 Cb -0.31 -3.10 0.93 0.00 -1.68 0.00 0.00 37.83 33.67 2k8q s LYS 80 CO 0.39 0.67 1.94 -0.07 -0.76 0.00 0.00 175.35 177.52 2k8q h LEU 81 N 4.07 0.50 -8.06 3.17 3.38 -1.86 -3.41 115.31 113.09 2k8q h LEU 81 Ca -0.50 0.02 -0.46 0.00 0.09 0.00 0.00 57.88 57.02 2k8q h LEU 81 Cb 1.20 -0.09 -0.31 0.00 0.09 0.00 0.00 40.66 41.56 2k8q h LEU 81 CO 0.66 0.29 -0.80 0.20 0.09 0.00 0.00 178.44 178.88 2k8q s ASN 82 N -6.08 1.45 0.78 -0.43 0.01 -1.26 -5.11 114.94 104.30 2k8q s ASN 82 Ca -0.09 -0.23 -0.11 0.00 -0.71 0.00 0.00 52.86 51.73 2k8q s ASN 82 Cb 0.20 -0.35 0.06 0.00 0.41 0.00 0.00 41.25 41.57 2k8q s ASN 82 CO 0.77 0.10 1.08 -0.75 -1.51 0.00 0.00 177.10 176.79 2k8q s LYS 83 N 0.07 2.23 -2.05 -0.60 2.20 -1.26 -3.43 119.74 116.90 2k8q s LYS 83 Ca -0.02 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.53 2k8q s LYS 83 Cb -0.08 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 2k8q s LYS 83 CO 0.01 -1.59 0.00 0.09 -0.36 0.00 0.00 175.35 173.49 2k8q n ASN 84 N -3.46 -5.45 -4.80 1.43 5.03 -0.60 -4.96 115.26 102.46 2k8q n ASN 84 Ca 0.08 0.42 -0.37 0.00 0.87 0.00 0.00 54.58 55.57 2k8q n ASN 84 Cb 0.54 -4.66 -0.06 0.00 -1.02 0.00 0.00 39.78 34.57 2k8q n ASN 84 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2k8q s GLU 85 N -3.89 3.96 0.25 3.52 2.56 -1.22 -4.94 118.70 118.95 2k8q s GLU 85 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.17 2k8q s GLU 85 Cb 0.00 -3.30 -0.00 0.00 2.00 0.00 0.00 34.13 32.83 2k8q s GLU 85 CO 0.00 0.52 0.01 2.48 -0.56 0.00 0.00 175.26 177.71 2k8q n TYR 86 N 2.57 0.51 -4.22 5.30 4.11 -1.26 -4.54 117.16 119.63 2k8q n TYR 86 Ca -0.14 -1.31 -0.13 0.00 -0.00 0.00 0.00 57.90 56.32 2k8q n TYR 86 Cb 0.53 -0.14 -0.10 0.00 -0.00 0.00 0.00 39.34 39.62 2k8q n TYR 86 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2k8q s PHE 87 N -2.02 1.13 0.00 -3.48 0.40 -1.26 -5.00 117.98 107.74 2k8q s PHE 87 Ca 0.02 -0.89 0.00 0.00 -0.60 0.00 0.00 56.93 55.46 2k8q s PHE 87 Cb 0.00 -0.62 0.00 0.00 0.51 0.00 0.00 43.02 42.91 2k8q s PHE 87 CO 0.01 -0.08 0.72 0.39 0.70 0.00 0.00 175.22 176.96 2k8q n GLU 88 N -0.16 1.41 -0.05 0.44 1.02 -1.26 -4.74 120.64 117.30 2k8q n GLU 88 Ca -0.10 -0.97 -0.05 0.00 -0.02 0.00 0.00 57.16 56.02 2k8q n GLU 88 Cb 0.61 -0.77 -0.08 0.00 -0.02 0.00 0.00 31.44 31.18 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2k8q n ASP 89 N -0.24 2.42 0.03 1.62 5.75 -1.26 -4.50 116.55 120.36 2k8q n ASP 89 Ca 0.00 -0.00 0.22 0.00 -0.01 0.00 0.00 54.79 55.00 2k8q n ASP 89 Cb 0.34 0.74 0.73 0.00 -1.03 0.00 0.00 41.12 41.90 2k8q n ASP 89 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2k8q h LEU 90 N 0.00 0.00 -2.36 -2.12 3.38 -1.93 0.26 115.31 112.54 2k8q h LEU 90 Ca -0.29 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.71 2k8q h LEU 90 Cb 1.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.39 2k8q h LEU 90 CO 0.01 0.00 0.15 0.44 0.09 0.00 0.00 178.44 179.13 2k8q h ASP 91 N 0.00 0.00 -3.17 -0.43 3.32 -1.89 -3.38 116.42 110.87 2k8q h ASP 91 Ca 0.24 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.63 2k8q h ASP 91 Cb 1.23 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.45 2k8q h ASP 91 CO -0.00 0.00 -0.82 -0.76 -1.72 0.00 0.00 179.24 175.93 2k8q s LEU 92 N -7.23 2.36 0.00 1.55 2.01 0.92 -4.98 118.68 113.32 2k8q s LEU 92 Ca -0.05 -0.62 0.14 0.00 0.01 0.00 0.00 54.13 53.62 2k8q s LEU 92 Cb 0.14 -1.54 0.67 0.00 0.01 0.00 0.00 46.19 45.47 2k8q s LEU 92 CO 0.50 -0.01 1.43 -0.81 1.01 0.00 0.00 176.35 178.47 2k8q n PRO 93 N 4.66 0.10 -0.04 1.29 -0.04 -1.26 -2.41 135.00 137.30 2k8q n PRO 93 Ca -0.20 0.20 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2k8q n PRO 93 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 2k8q n PRO 93 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2k8q n THR 94 N -1.39 1.38 0.26 0.52 -2.24 -1.26 -3.86 114.28 107.68 2k8q n THR 94 Ca 0.05 -0.79 0.18 0.00 -2.27 0.00 0.00 64.05 61.22 2k8q n THR 94 Cb 0.14 -0.73 0.90 0.00 -2.10 0.00 0.00 70.33 68.55 2k8q n THR 94 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2k8q h LYS 95 N 0.00 0.00 0.08 -0.78 1.79 -1.75 0.45 116.57 116.36 2k8q h LYS 95 Ca -0.35 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 57.80 2k8q h LYS 95 Cb 1.98 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.61 2k8q h LYS 95 CO 0.05 0.00 -1.74 1.28 -1.08 0.00 0.00 179.45 177.96 2k8q n LEU 96 N -3.50 2.36 0.18 2.94 7.99 -1.26 -4.13 117.00 121.59 2k8q n LEU 96 Ca 0.00 0.29 0.05 0.00 -0.01 0.00 0.00 56.01 56.34 2k8q n LEU 96 Cb 0.28 -1.07 0.48 0.00 -0.11 0.00 0.00 43.42 43.00 2k8q n LEU 96 CO 0.23 0.65 0.93 -0.07 -1.51 0.00 0.00 177.39 177.63 2k8q h LEU 97 N -0.30 0.09 -8.86 2.23 -0.00 -1.46 -3.35 115.31 103.65 2k8q h LEU 97 Ca -0.40 -0.01 -0.58 0.00 -0.00 0.00 0.00 57.88 56.89 2k8q h LEU 97 Cb 1.78 -0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 42.34 2k8q h LEU 97 CO -0.02 0.23 0.79 0.00 -0.00 0.00 0.00 178.44 179.45 2k8q s ALA 98 N -4.76 3.39 0.42 1.53 0.00 0.07 -5.01 121.76 117.40 2k8q s ALA 98 Ca -0.05 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.67 2k8q s ALA 98 Cb 0.16 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 2k8q s ALA 98 CO 0.71 -1.70 0.11 -0.98 0.00 0.00 0.00 175.76 173.89 2k8q s ARG 99 N 3.79 1.96 0.13 0.00 3.03 -1.26 -4.91 118.95 121.68 2k8q s ARG 99 Ca 0.44 -2.20 -0.24 0.00 2.03 0.00 0.00 55.73 55.76 2k8q s ARG 99 Cb -0.11 -0.75 0.07 0.00 -1.03 0.00 0.00 34.95 33.14 2k8q s ARG 99 CO 0.20 -0.45 0.62 -0.65 -1.13 0.00 0.00 175.30 173.89 2k8q s GLN 100 N -3.74 1.23 0.00 3.89 -0.21 -1.26 -4.99 119.66 114.59 2k8q s GLN 100 Ca 0.22 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.22 2k8q s GLN 100 Cb 0.03 0.57 0.00 0.00 1.00 0.00 0.00 33.01 34.61 2k8q s GLN 100 CO 0.13 -0.52 0.00 0.41 -2.12 0.00 0.00 175.29 173.19 2k8q n GLY 101 N -0.22 2.09 3.56 3.09 0.00 -1.26 -4.93 105.19 107.53 2k8q n GLY 101 Ca -0.17 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 2k8q n GLY 101 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k8q s ASP 102 N 0.00 6.43 -0.06 1.61 -4.77 -1.26 -4.80 116.67 113.81 2k8q s ASP 102 Ca 0.00 -0.00 0.10 0.00 -3.30 0.00 0.00 52.55 49.34 2k8q s ASP 102 Cb 0.00 -2.51 -0.14 0.00 -1.09 0.00 0.00 42.92 39.18 2k8q s ASP 102 CO 0.00 -1.36 0.11 -0.11 0.70 0.00 0.00 175.17 174.51 2k8q n LEU 103 N 8.03 0.00 -4.88 2.11 7.94 -1.26 -5.01 117.00 123.92 2k8q n LEU 103 Ca 0.07 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.66 2k8q n LEU 103 Cb 0.49 0.15 -0.04 0.00 0.53 0.00 0.00 43.42 44.54 2k8q n LEU 103 CO 0.69 0.15 0.30 0.00 -1.11 0.00 0.00 177.39 177.42 2k8q s ALA 104 N -2.44 3.49 -0.84 1.96 0.00 -1.26 -4.98 121.76 117.70 2k8q s ALA 104 Ca -0.04 -0.33 -0.25 0.00 0.00 0.00 0.00 51.96 51.34 2k8q s ALA 104 Cb 0.04 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 2k8q s ALA 104 CO 0.42 0.22 2.00 0.20 0.00 0.00 0.00 175.76 178.60 2k8q s GLY 105 N -2.91 0.05 -0.44 0.00 0.00 -1.26 -4.92 107.32 97.84 2k8q s GLY 105 Ca 0.48 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.65 2k8q s GLY 105 CO 0.27 3.58 1.10 0.00 0.00 0.00 0.00 173.10 178.05 2k8q s ALA 106 N 10.52 3.23 -1.79 3.20 0.00 -1.26 -3.48 121.76 132.18 2k8q s ALA 106 Ca 0.73 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2k8q s ALA 106 Cb -0.08 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2k8q s ALA 106 CO 0.04 -2.08 0.00 -0.25 0.00 0.00 0.00 175.76 173.47 2k8q n ASP 107 N 7.57 -5.18 -4.73 0.00 9.92 -1.26 -4.95 116.55 117.92 2k8q n ASP 107 Ca 0.11 0.42 -0.41 0.00 -0.53 0.00 0.00 54.79 54.38 2k8q n ASP 107 Cb 0.49 -4.17 -0.04 0.00 -0.64 0.00 0.00 41.12 36.76 2k8q n ASP 107 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8q s ALA 108 N -2.58 3.27 -0.01 2.24 0.00 -1.23 -5.04 121.76 118.41 2k8q s ALA 108 Ca 0.00 0.64 -0.20 0.00 0.00 0.00 0.00 51.96 52.40 2k8q s ALA 108 Cb 0.00 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 19.85 2k8q s ALA 108 CO 0.00 -0.11 0.44 -0.48 0.00 0.00 0.00 175.76 175.61 2k8q s LEU 109 N 0.09 0.32 -0.23 0.00 0.05 -1.26 -5.05 118.68 112.60 2k8q s LEU 109 Ca 0.49 0.26 -0.03 0.00 0.05 0.00 0.00 54.13 54.89 2k8q s LEU 109 Cb -0.25 1.73 0.12 0.00 -2.05 0.00 0.00 46.19 45.74 2k8q s LEU 109 CO 0.31 -0.53 0.35 0.42 -0.55 0.00 0.00 176.35 176.34 2k8q s THR 110 N -1.48 -0.55 0.12 5.48 -4.23 -1.26 -5.13 115.64 108.59 2k8q s THR 110 Ca -0.11 -0.03 0.08 0.00 -1.18 0.00 0.00 61.69 60.44 2k8q s THR 110 Cb -0.03 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 73.02 2k8q s THR 110 CO 0.05 -0.10 -0.19 -1.83 -0.54 0.00 0.00 174.62 172.00 2k8q s GLU 111 N 2.51 1.13 -0.19 3.99 -1.05 -1.26 -5.15 118.70 118.68 2k8q s GLU 111 Ca 0.10 -1.21 -0.18 0.00 -0.15 0.00 0.00 54.97 53.53 2k8q s GLU 111 Cb -0.15 -1.30 0.05 0.00 -0.44 0.00 0.00 34.13 32.28 2k8q s GLU 111 CO -0.14 0.29 0.50 1.21 0.95 0.00 0.00 175.26 178.07 2k8q s ASN 112 N -2.11 -0.52 0.28 0.83 2.47 -1.26 -5.17 114.94 109.46 2k8q s ASN 112 Ca 0.08 1.01 0.08 0.00 0.42 0.00 0.00 52.86 54.45 2k8q s ASN 112 Cb -0.09 1.02 -0.04 0.00 -1.45 0.00 0.00 41.25 40.70 2k8q s ASN 112 CO 0.05 -0.18 0.11 -0.89 -3.72 0.00 0.00 177.10 172.46 2k8q s THR 113 N 0.25 3.70 0.46 -5.21 2.01 -1.26 -5.15 115.64 110.45 2k8q s THR 113 Ca -0.00 -1.68 0.03 0.00 0.31 0.00 0.00 61.69 60.35 2k8q s THR 113 Cb -0.03 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 2k8q s THR 113 CO 0.01 -0.32 0.03 1.51 -0.69 0.00 0.00 174.62 175.16 2k8q s ASP 114 N -3.78 3.70 0.53 3.53 -4.77 -1.26 -5.17 116.67 109.46 2k8q s ASP 114 Ca 0.34 -1.60 0.08 0.00 -3.30 0.00 0.00 52.55 48.07 2k8q s ASP 114 Cb -0.06 0.34 0.05 0.00 -1.09 0.00 0.00 42.92 42.16 2k8q s ASP 114 CO 0.22 -0.79 0.59 0.00 0.70 0.00 0.00 175.17 175.90 2k8q s ALA 115 N -2.95 4.53 -0.46 2.11 0.00 -1.26 -5.04 121.76 118.69 2k8q s ALA 115 Ca 0.16 -1.78 -0.28 0.00 0.00 0.00 0.00 51.96 50.06 2k8q s ALA 115 Cb 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.99 2k8q s ALA 115 CO 0.08 -0.60 1.56 0.15 0.00 0.00 0.00 175.76 176.95 2k8q s LYS 116 N -4.45 3.32 0.04 0.00 3.01 -1.26 -4.96 119.74 115.44 2k8q s LYS 116 Ca 0.50 0.87 -0.10 0.00 -1.01 0.00 0.00 55.97 56.23 2k8q s LYS 116 Cb -0.05 -4.14 0.01 0.00 -1.01 0.00 0.00 37.83 32.64 2k8q s LYS 116 CO 0.31 -1.89 0.22 0.21 0.51 0.00 0.00 175.35 174.71 2k8q s LYS 117 N 5.54 0.71 0.89 1.68 2.20 -1.26 -5.15 119.74 124.34 2k8q s LYS 117 Ca 0.64 -0.59 -0.12 0.00 -0.36 0.00 0.00 55.97 55.54 2k8q s LYS 117 Cb -0.15 0.30 0.08 0.00 -1.51 0.00 0.00 37.83 36.55 2k8q s LYS 117 CO 0.29 -0.21 0.89 -2.37 -0.36 0.00 0.00 175.35 173.59 2k8q n THR 118 N 0.70 0.63 -3.59 3.43 5.66 -1.26 -5.02 114.28 114.82 2k8q n THR 118 Ca -0.19 -0.14 -0.27 0.00 -3.05 0.00 0.00 64.05 60.40 2k8q n THR 118 Cb 0.59 -0.91 -0.16 0.00 -1.55 0.00 0.00 70.33 68.29 2k8q n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k8q s GLN 119 N -4.06 0.11 -0.46 1.09 -2.07 -1.26 -5.04 119.66 107.97 2k8q s GLN 119 Ca 0.65 -0.23 0.07 0.00 -1.82 0.00 0.00 55.36 54.03 2k8q s GLN 119 Cb -0.25 -1.63 0.25 0.00 -1.09 0.00 0.00 33.01 30.29 2k8q s GLN 119 CO 0.59 -0.78 0.81 1.17 -1.32 0.00 0.00 175.29 175.76 2k8q n LYS 120 N 5.27 0.78 -1.19 9.60 4.81 -1.26 -5.15 118.16 131.01 2k8q n LYS 120 Ca -0.07 -2.11 -0.29 0.00 -0.87 0.00 0.00 58.31 54.97 2k8q n LYS 120 Cb 0.47 -1.39 0.15 0.00 0.02 0.00 0.00 35.03 34.28 2k8q n LYS 120 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k8q s PRO 121 N 0.19 0.89 -0.27 1.64 0.04 -1.26 -5.07 135.00 131.17 2k8q s PRO 121 Ca 0.32 0.69 -0.00 0.00 0.04 0.00 0.00 61.00 62.05 2k8q s PRO 121 Cb 0.22 -1.78 0.15 0.00 0.04 0.00 0.00 34.50 33.14 2k8q s PRO 121 CO -0.21 -2.46 0.42 -1.17 0.04 0.00 0.00 177.00 173.63 2k8q s LEU 122 N -6.33 -0.81 -0.08 -3.56 2.96 -1.26 -5.13 118.68 104.47 2k8q s LEU 122 Ca 0.64 0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.58 2k8q s LEU 122 Cb -0.18 1.26 0.04 0.00 0.50 0.00 0.00 46.19 47.81 2k8q s LEU 122 CO 0.57 -0.32 0.06 -0.63 -1.32 0.00 0.00 176.35 174.71 2k8q s ILE 123 N 2.59 -0.01 0.45 6.68 1.01 -1.26 -5.15 121.20 125.51 2k8q s ILE 123 Ca 0.12 0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.98 2k8q s ILE 123 Cb -0.14 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 41.98 2k8q s ILE 123 CO -0.22 0.06 0.66 0.00 0.00 0.00 0.00 174.94 175.43 2k8q s GLN 124 N 2.12 3.01 -0.03 2.79 0.00 -1.26 -5.12 119.66 121.17 2k8q s GLN 124 Ca 0.04 -0.60 0.02 0.00 -0.00 0.00 0.00 55.36 54.82 2k8q s GLN 124 Cb -0.13 -2.59 0.01 0.00 0.00 0.00 0.00 33.01 30.30 2k8q s GLN 124 CO -0.05 -0.28 -0.08 -2.00 0.00 0.00 0.00 175.29 172.88 2k8q s GLU 125 N -4.53 0.91 -0.39 9.60 2.12 -1.26 -5.12 118.70 120.04 2k8q s GLU 125 Ca 0.49 -0.25 -0.08 0.00 0.36 0.00 0.00 54.97 55.50 2k8q s GLU 125 Cb -0.10 -0.86 0.07 0.00 0.26 0.00 0.00 34.13 33.50 2k8q s GLU 125 CO 0.37 0.06 0.20 0.08 -0.54 0.00 0.00 175.26 175.43 2k8q s VAL 126 N 0.38 3.99 0.55 3.70 1.01 -1.26 -5.08 120.40 123.69 2k8q s VAL 126 Ca -0.06 -1.37 -0.20 0.00 0.00 0.00 0.00 61.98 60.35 2k8q s VAL 126 Cb -0.10 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 2k8q s VAL 126 CO 0.01 -0.41 1.02 -0.62 0.00 0.00 0.00 175.10 175.09 2k8q n GLU 127 N 4.85 1.13 -3.90 2.72 1.02 -1.26 -4.98 120.64 120.23 2k8q n GLU 127 Ca -0.10 0.42 -0.35 0.00 -0.02 0.00 0.00 57.16 57.12 2k8q n GLU 127 Cb 0.43 -2.19 -0.13 0.00 -0.02 0.00 0.00 31.44 29.53 2k8q n GLU 127 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2k8q s THR 128 N -1.43 2.94 0.71 2.62 -4.23 -1.26 -5.10 115.64 109.90 2k8q s THR 128 Ca 0.71 -1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 2k8q s THR 128 Cb -0.45 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 70.59 2k8q s THR 128 CO 0.50 -0.27 1.11 0.47 -0.54 0.00 0.00 174.62 175.89 2k8q n ASP 129 N 4.57 1.08 -3.68 3.99 9.92 -1.26 -5.03 116.55 126.13 2k8q n ASP 129 Ca -0.09 0.71 -0.10 0.00 -0.53 0.00 0.00 54.79 54.77 2k8q n ASP 129 Cb 0.43 -1.47 -0.10 0.00 -0.64 0.00 0.00 41.12 39.34 2k8q n ASP 129 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2k8q s GLY 130 N -1.63 -0.40 -0.15 0.44 0.00 -1.26 -5.14 107.32 99.18 2k8q s GLY 130 Ca 0.76 1.70 -0.00 0.00 0.00 0.00 0.00 44.72 47.19 2k8q s GLY 130 CO 0.47 1.76 -0.08 0.14 0.00 0.00 0.00 173.10 175.40 2k8q s VAL 131 N 1.27 1.22 0.12 1.40 1.01 -1.26 -5.13 120.40 119.03 2k8q s VAL 131 Ca -0.08 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.43 2k8q s VAL 131 Cb -0.07 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2k8q s VAL 131 CO -0.12 0.26 -0.26 -0.44 0.00 0.00 0.00 175.10 174.54 2k8q s SER 132 N 1.61 3.17 -0.20 3.32 0.01 -1.26 -5.13 113.70 115.22 2k8q s SER 132 Ca 0.02 -0.74 -0.03 0.00 1.31 0.00 0.00 55.95 56.52 2k8q s SER 132 Cb -0.14 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 2k8q s SER 132 CO -0.08 0.16 -0.08 0.20 0.41 0.00 0.00 173.24 173.84 2k8q s ASN 133 N -2.02 4.05 0.00 2.44 -0.87 -1.26 -5.38 114.94 111.90 2k8q s ASN 133 Ca 0.13 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 50.98 2k8q s ASN 133 Cb -0.10 -1.68 0.00 0.00 -0.02 0.00 0.00 41.25 39.45 2k8q s ASN 133 CO 0.06 0.00 0.00 0.59 -2.57 0.00 0.00 177.10 175.18