#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8q h ILE 2 N 0.00 1.32 -2.98 -0.61 2.04 -1.87 -3.35 117.51 112.05 2k8q h ILE 2 Ca 0.00 -2.65 -0.59 0.00 1.00 0.00 0.00 64.86 62.62 2k8q h ILE 2 Cb 0.00 3.07 0.14 0.00 -0.74 0.00 0.00 36.82 39.29 2k8q h ILE 2 CO 0.00 0.79 -0.02 1.07 0.00 0.00 0.00 178.15 179.99 2k8q n THR 3 N -3.81 2.49 -0.02 -0.27 5.66 -1.26 -4.85 114.28 112.22 2k8q n THR 3 Ca -0.17 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.20 2k8q n THR 3 Cb 1.04 -0.98 -0.09 0.00 -1.55 0.00 0.00 70.33 68.75 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 1.07 0.09 -3.42 1.09 0.13 -1.90 -3.46 132.00 125.60 2k8q h PRO 4 Ca -0.44 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2k8q h PRO 4 Cb 1.36 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.36 2k8q h PRO 4 CO 0.54 0.55 -0.11 1.03 -0.23 0.00 0.00 178.00 179.78 2k8q s ARG 5 N -4.27 1.04 -0.29 0.86 3.00 -1.26 -5.03 118.95 112.99 2k8q s ARG 5 Ca -0.15 -0.72 -0.18 0.00 0.00 0.00 0.00 55.73 54.68 2k8q s ARG 5 Cb 0.03 0.45 0.17 0.00 0.00 0.00 0.00 34.95 35.60 2k8q s ARG 5 CO 0.70 -0.40 1.11 -0.59 0.00 0.00 0.00 175.30 176.12 2k8q s PHE 6 N -3.74 -0.35 0.01 -0.53 -0.71 -1.26 -1.25 117.98 110.15 2k8q s PHE 6 Ca 0.03 0.73 0.07 0.00 -1.04 0.00 0.00 56.93 56.72 2k8q s PHE 6 Cb 0.02 0.26 -0.02 0.00 -1.21 0.00 0.00 43.02 42.07 2k8q s PHE 6 CO -0.11 -0.18 -0.20 -1.12 -1.34 0.00 0.00 175.22 172.27 2k8q s SER 7 N 1.03 2.41 -0.02 1.98 0.01 0.21 -4.99 113.70 114.34 2k8q s SER 7 Ca -0.06 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.78 2k8q s SER 7 Cb -0.03 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.93 2k8q s SER 7 CO -0.12 0.20 -0.07 -0.63 0.41 0.00 0.00 173.24 173.02 2k8q s ILE 8 N -0.64 3.60 0.05 1.44 1.01 -1.26 -0.03 121.20 125.37 2k8q s ILE 8 Ca 0.08 -0.71 0.06 0.00 0.00 0.00 0.00 60.65 60.08 2k8q s ILE 8 Cb -0.08 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.83 2k8q s ILE 8 CO 0.01 0.45 -0.17 -0.89 0.00 0.00 0.00 174.94 174.34 2k8q s THR 9 N -0.93 1.37 -0.01 2.92 2.01 0.94 -4.88 115.64 117.05 2k8q s THR 9 Ca 0.16 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 61.03 2k8q s THR 9 Cb -0.11 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2k8q s THR 9 CO 0.06 0.06 0.02 -1.10 -0.69 0.00 0.00 174.62 172.97 2k8q s GLN 10 N -1.24 2.87 0.40 4.92 1.11 -1.26 -0.89 119.66 125.57 2k8q s GLN 10 Ca 0.04 -0.56 0.03 0.00 0.01 0.00 0.00 55.36 54.89 2k8q s GLN 10 Cb -0.08 -2.73 -0.03 0.00 -1.01 0.00 0.00 33.01 29.16 2k8q s GLN 10 CO 0.02 0.64 0.09 -0.51 0.01 0.00 0.00 175.29 175.54 2k8q s ASP 11 N -1.51 2.87 -0.11 5.90 1.01 -0.71 -4.93 116.67 119.20 2k8q s ASP 11 Ca 0.19 -1.60 0.10 0.00 0.71 0.00 0.00 52.55 51.96 2k8q s ASP 11 Cb -0.12 0.36 0.49 0.00 1.01 0.00 0.00 42.92 44.66 2k8q s ASP 11 CO 0.10 -0.84 1.30 -1.84 0.21 0.00 0.00 175.17 174.10 2k8q n GLU 12 N -0.90 3.09 0.00 8.23 0.28 -1.26 -4.23 120.64 125.84 2k8q n GLU 12 Ca -0.07 -1.89 0.00 0.00 -0.16 0.00 0.00 57.16 55.04 2k8q n GLU 12 Cb 0.66 -1.82 0.00 0.00 1.43 0.00 0.00 31.44 31.71 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 0.51 0.00 -2.60 3.44 0.28 -1.26 -1.27 120.64 119.74 2k8q n GLU 13 Ca 0.17 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.11 2k8q n GLU 13 Cb 0.73 -0.40 0.01 0.00 1.43 0.00 0.00 31.44 33.20 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 -1.49 -1.58 -4.30 -1.84 -1.74 -1.26 -4.25 117.46 101.00 2k8q n PHE 14 Ca 0.00 -1.08 -0.34 0.00 -0.56 0.00 0.00 57.45 55.47 2k8q n PHE 14 Cb 0.00 0.46 -0.09 0.00 1.52 0.00 0.00 39.48 41.37 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 -2.54 4.38 -0.30 1.97 -1.09 0.57 -1.73 121.20 122.45 2k8q s ILE 15 Ca 0.10 -0.33 0.03 0.00 -2.23 0.00 0.00 60.65 58.23 2k8q s ILE 15 Cb -0.02 -2.89 0.08 0.00 -1.58 0.00 0.00 42.46 38.06 2k8q s ILE 15 CO 0.08 0.53 -0.01 0.12 -1.23 0.00 0.00 174.94 174.42 2k8q s PHE 16 N -0.97 3.37 -0.24 3.97 5.36 -0.07 -2.21 117.98 127.18 2k8q s PHE 16 Ca 0.16 -2.61 -0.11 0.00 -0.96 0.00 0.00 56.93 53.41 2k8q s PHE 16 Cb -0.11 -2.42 -0.05 0.00 -0.34 0.00 0.00 43.02 40.10 2k8q s PHE 16 CO 0.05 -0.91 0.18 -1.17 -1.46 0.00 0.00 175.22 171.92 2k8q s LEU 17 N 1.05 4.11 -0.09 6.12 2.96 0.09 -0.04 118.68 132.88 2k8q s LEU 17 Ca 0.03 0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 2k8q s LEU 17 Cb -0.19 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 2k8q s LEU 17 CO -0.08 0.04 -0.06 -1.59 -1.32 0.00 0.00 176.35 173.34 2k8q s LYS 18 N 1.15 2.95 -0.06 1.98 -2.85 0.95 0.04 119.74 123.91 2k8q s LYS 18 Ca 0.08 -0.54 0.04 0.00 -1.00 0.00 0.00 55.97 54.56 2k8q s LYS 18 Cb -0.14 -2.66 -0.00 0.00 -2.06 0.00 0.00 37.83 32.97 2k8q s LYS 18 CO 0.05 0.58 -0.19 0.42 0.10 0.00 0.00 175.35 176.31 2k8q s ILE 19 N -0.58 1.61 -0.14 3.79 1.09 -0.49 -0.62 121.20 125.87 2k8q s ILE 19 Ca 0.09 -0.80 -0.18 0.00 -1.10 0.00 0.00 60.65 58.66 2k8q s ILE 19 Cb -0.12 -1.39 -0.04 0.00 -1.06 0.00 0.00 42.46 39.85 2k8q s ILE 19 CO 0.02 0.46 0.47 -0.36 -0.10 0.00 0.00 174.94 175.43 2k8q s PHE 20 N 0.13 3.48 0.00 3.97 0.08 -0.38 -1.47 117.98 123.79 2k8q s PHE 20 Ca -0.08 0.84 -0.16 0.00 0.12 0.00 0.00 56.93 57.65 2k8q s PHE 20 Cb -0.14 -2.56 0.03 0.00 -0.57 0.00 0.00 43.02 39.79 2k8q s PHE 20 CO 0.04 0.12 0.34 0.96 -0.10 0.00 0.00 175.22 176.58 2k8q s ILE 21 N 0.81 0.06 0.44 0.64 -4.36 -1.25 -4.10 121.20 113.44 2k8q s ILE 21 Ca 0.25 -0.50 -0.07 0.00 -0.26 0.00 0.00 60.65 60.06 2k8q s ILE 21 Cb -0.15 -0.75 0.11 0.00 1.25 0.00 0.00 42.46 42.91 2k8q s ILE 21 CO 0.10 -0.28 0.48 -0.24 0.24 0.00 0.00 174.94 175.25 2k8q n SER 22 N 1.00 -0.70 -1.78 4.36 2.88 -1.26 -4.53 113.62 113.59 2k8q n SER 22 Ca -0.20 -0.98 -0.08 0.00 -1.33 0.00 0.00 58.87 56.27 2k8q n SER 22 Cb 0.57 -0.40 0.21 0.00 -0.75 0.00 0.00 64.21 63.84 2k8q n SER 22 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2k8q n ASN 23 N -3.55 4.00 -3.22 -3.46 0.23 -1.26 -4.95 115.26 103.06 2k8q n ASN 23 Ca 0.06 -3.00 -0.20 0.00 -0.53 0.00 0.00 54.58 50.91 2k8q n ASN 23 Cb 0.23 -0.71 0.19 0.00 -2.08 0.00 0.00 39.78 37.41 2k8q n ASN 23 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2k8q n ILE 24 N -0.24 0.00 -1.55 1.53 -5.35 -1.26 -4.70 119.36 107.79 2k8q n ILE 24 Ca 0.35 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.55 2k8q n ILE 24 Cb 1.22 -0.63 -0.04 0.00 -1.74 0.00 0.00 39.64 38.44 2k8q n ILE 24 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2k8q s ARG 25 N -4.12 1.91 -0.52 6.28 3.00 -1.26 -4.90 118.95 119.34 2k8q s ARG 25 Ca 0.43 1.10 -0.18 0.00 0.00 0.00 0.00 55.73 57.08 2k8q s ARG 25 Cb -0.08 -4.65 0.07 0.00 0.00 0.00 0.00 34.95 30.29 2k8q s ARG 25 CO 0.36 -3.70 0.60 0.12 0.00 0.00 0.00 175.30 172.67 2k8q s PHE 26 N 13.19 3.08 0.66 -0.53 5.36 -1.26 -4.99 117.98 133.49 2k8q s PHE 26 Ca 0.96 -0.74 -0.04 0.00 -0.96 0.00 0.00 56.93 56.15 2k8q s PHE 26 Cb -0.16 -3.60 0.06 0.00 -0.34 0.00 0.00 43.02 38.99 2k8q s PHE 26 CO 0.20 -1.05 0.94 -1.12 -1.46 0.00 0.00 175.22 172.73 2k8q s SER 27 N 2.94 4.89 -0.15 6.13 0.01 -1.26 -5.03 113.70 121.23 2k8q s SER 27 Ca 0.12 0.23 0.14 0.00 1.31 0.00 0.00 55.95 57.75 2k8q s SER 27 Cb -0.22 -0.92 0.36 0.00 0.21 0.00 0.00 66.02 65.45 2k8q s SER 27 CO 0.09 -1.49 1.18 0.00 0.41 0.00 0.00 173.24 173.43 2k8q n ALA 28 N -2.74 3.01 0.36 1.44 0.00 -1.26 -4.62 120.51 116.69 2k8q n ALA 28 Ca 0.09 -2.87 0.04 0.00 0.00 0.00 0.00 53.44 50.69 2k8q n ALA 28 Cb 0.60 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 2k8q n ALA 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k8q n VAL 29 N -1.00 0.00 -0.06 0.00 0.31 -1.26 -4.55 118.33 111.78 2k8q n VAL 29 Ca 0.16 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2k8q n VAL 29 Cb 0.72 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.71 2k8q n VAL 29 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k8q n GLY 30 N 0.95 0.40 3.59 2.92 0.00 -1.26 -4.99 105.19 106.80 2k8q n GLY 30 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2k8q n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k8q s LEU 31 N -0.41 4.10 -0.36 0.99 1.43 -1.26 -4.15 118.68 119.01 2k8q s LEU 31 Ca 0.00 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 2k8q s LEU 31 Cb 0.00 -3.08 0.22 0.00 0.03 0.00 0.00 46.19 43.35 2k8q s LEU 31 CO 0.00 -0.76 1.07 1.21 0.23 0.00 0.00 176.35 178.10 2k8q n GLU 32 N 6.50 0.15 -2.41 1.70 0.00 -1.26 -4.97 120.64 120.35 2k8q n GLU 32 Ca 0.04 -0.92 -0.42 0.00 0.00 0.00 0.00 57.16 55.86 2k8q n GLU 32 Cb 0.48 -0.07 -0.03 0.00 0.00 0.00 0.00 31.44 31.82 2k8q n GLU 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2k8q s ILE 33 N 0.92 3.86 -0.01 6.31 1.01 -1.26 -4.50 121.20 127.52 2k8q s ILE 33 Ca 0.24 1.42 0.06 0.00 0.00 0.00 0.00 60.65 62.37 2k8q s ILE 33 Cb 0.12 -3.91 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 2k8q s ILE 33 CO -0.10 0.16 -0.19 -0.51 0.00 0.00 0.00 174.94 174.30 2k8q s ILE 34 N 0.62 1.50 -0.18 2.92 -1.16 -1.04 -5.00 121.20 118.86 2k8q s ILE 34 Ca 0.56 -0.83 -0.08 0.00 -0.51 0.00 0.00 60.65 59.79 2k8q s ILE 34 Cb -0.31 -1.25 -0.04 0.00 0.61 0.00 0.00 42.46 41.47 2k8q s ILE 34 CO 0.32 0.41 0.09 -0.63 -2.81 0.00 0.00 174.94 172.31 2k8q s ILE 35 N -0.47 5.05 0.36 2.00 1.09 -1.26 -0.88 121.20 127.09 2k8q s ILE 35 Ca 0.07 0.06 -0.06 0.00 -1.10 0.00 0.00 60.65 59.62 2k8q s ILE 35 Cb -0.07 -3.28 0.09 0.00 -1.06 0.00 0.00 42.46 38.13 2k8q s ILE 35 CO -0.01 0.47 0.41 0.00 -0.10 0.00 0.00 174.94 175.71 2k8q n GLN 36 N 3.40 -0.94 -0.23 2.79 1.13 0.12 -4.70 117.38 118.95 2k8q n GLN 36 Ca -0.17 -0.64 0.21 0.00 -1.94 0.00 0.00 57.00 54.46 2k8q n GLN 36 Cb 0.52 -0.49 0.55 0.00 0.11 0.00 0.00 30.24 30.93 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 0.32 0.00 -1.09 4.11 -1.99 -3.39 114.58 112.54 2k8q h GLU 37 Ca -0.14 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2k8q h GLU 37 Cb 0.40 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k8q h GLU 37 CO 0.10 0.21 0.00 0.27 0.07 0.00 0.00 179.01 179.66 2k8q n ASN 38 N -4.47 -0.04 -4.79 3.06 6.94 -1.26 -4.11 115.26 110.59 2k8q n ASN 38 Ca 0.19 0.10 -0.29 0.00 -0.02 0.00 0.00 54.58 54.56 2k8q n ASN 38 Cb 0.74 0.09 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 1.19 -0.07 -3.83 0.23 -1.26 -2.42 119.30 111.13 2k8q s MET 39 Ca 0.00 0.28 0.04 0.00 -1.03 0.00 0.00 55.69 54.97 2k8q s MET 39 Cb 0.00 -1.85 -0.02 0.00 -1.53 0.00 0.00 34.83 31.44 2k8q s MET 39 CO 0.00 -2.16 -0.18 0.42 -2.03 0.00 0.00 175.02 171.06 2k8q s ILE 40 N -3.30 2.66 -0.24 3.16 1.01 -0.47 0.13 121.20 124.15 2k8q s ILE 40 Ca 0.64 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 2k8q s ILE 40 Cb -0.14 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 2k8q s ILE 40 CO 0.53 0.57 0.03 -0.63 0.00 0.00 0.00 174.94 175.44 2k8q s ILE 41 N -0.25 4.04 -0.46 2.92 -1.09 -0.06 -1.49 121.20 124.80 2k8q s ILE 41 Ca 0.00 -0.27 -0.18 0.00 -2.23 0.00 0.00 60.65 57.98 2k8q s ILE 41 Cb -0.13 -2.87 0.05 0.00 -1.58 0.00 0.00 42.46 37.92 2k8q s ILE 41 CO 0.03 0.37 0.50 0.12 -1.23 0.00 0.00 174.94 174.72 2k8q s PHE 42 N 1.52 3.14 -0.13 3.97 5.36 0.84 -2.48 117.98 130.20 2k8q s PHE 42 Ca 0.06 -0.57 0.15 0.00 -0.96 0.00 0.00 56.93 55.60 2k8q s PHE 42 Cb -0.15 -3.20 -0.22 0.00 -0.34 0.00 0.00 43.02 39.12 2k8q s PHE 42 CO 0.02 -0.85 0.37 1.58 -1.46 0.00 0.00 175.22 174.88 2k8q n HIS 43 N 5.71 0.00 -1.23 10.12 -0.00 -1.26 -1.38 115.22 127.18 2k8q n HIS 43 Ca -0.08 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.75 2k8q n HIS 43 Cb 0.46 -0.28 0.10 0.00 -0.12 0.00 0.00 29.99 30.15 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 -1.89 2.83 -1.21 0.27 0.00 -1.26 -4.73 117.00 111.02 2k8q n LEU 44 Ca -0.02 0.60 0.15 0.00 0.00 0.00 0.00 56.01 56.75 2k8q n LEU 44 Cb 0.35 -1.37 -0.06 0.00 0.00 0.00 0.00 43.42 42.34 2k8q n LEU 44 CO 0.31 -2.32 -0.43 -1.20 0.00 0.00 0.00 177.39 173.74 2k8q n SER 45 N -1.74 -7.05 0.00 1.96 7.64 -1.26 -4.18 113.62 108.99 2k8q n SER 45 Ca 0.12 0.98 0.07 0.00 1.01 0.00 0.00 58.87 61.06 2k8q n SER 45 Cb 0.50 -4.00 0.39 0.00 -1.01 0.00 0.00 64.21 60.09 2k8q n SER 45 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2k8q n PRO 46 N -4.00 0.25 -4.45 1.43 -0.04 -1.26 -4.63 135.00 122.30 2k8q n PRO 46 Ca -0.05 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 2k8q n PRO 46 Cb 0.57 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.49 2.97 -0.10 0.54 2.02 -1.26 -5.10 117.35 113.93 2k8q s TYR 47 Ca 0.15 -0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 2k8q s TYR 47 Cb 0.10 -1.94 -0.05 0.00 -0.40 0.00 0.00 41.96 39.67 2k8q s TYR 47 CO 0.22 -0.12 0.36 -0.47 -1.57 0.00 0.00 175.55 173.97 2k8q s TYR 48 N 0.46 3.56 0.02 2.71 6.14 -1.26 -4.64 117.35 124.34 2k8q s TYR 48 Ca -0.05 0.78 0.05 0.00 0.64 0.00 0.00 57.07 58.49 2k8q s TYR 48 Cb -0.15 -2.35 -0.02 0.00 0.42 0.00 0.00 41.96 39.87 2k8q s TYR 48 CO 0.03 0.38 -0.15 -1.17 0.64 0.00 0.00 175.55 175.29 2k8q s LEU 49 N -0.07 2.11 -0.20 6.97 0.20 -0.48 -4.01 118.68 123.19 2k8q s LEU 49 Ca 0.21 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.66 2k8q s LEU 49 Cb -0.15 -0.69 0.04 0.00 -0.43 0.00 0.00 46.19 44.96 2k8q s LEU 49 CO 0.08 0.11 -0.13 -0.60 -0.29 0.00 0.00 176.35 175.52 2k8q s ARG 50 N -0.79 2.30 -0.19 1.98 6.06 -1.26 -0.11 118.95 126.93 2k8q s ARG 50 Ca 0.04 -0.89 -0.07 0.00 -2.50 0.00 0.00 55.73 52.32 2k8q s ARG 50 Cb -0.07 -2.49 -0.04 0.00 0.06 0.00 0.00 34.95 32.42 2k8q s ARG 50 CO 0.01 -0.38 0.05 -0.51 -2.50 0.00 0.00 175.30 171.96 2k8q s LEU 51 N 1.34 3.62 -0.31 -0.88 1.43 -0.56 -4.33 118.68 118.98 2k8q s LEU 51 Ca -0.00 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2k8q s LEU 51 Cb -0.16 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.23 2k8q s LEU 51 CO -0.09 0.12 0.00 -0.60 0.23 0.00 0.00 176.35 176.01 2k8q s ARG 52 N 0.67 1.68 0.27 1.70 3.00 -1.23 -1.37 118.95 123.67 2k8q s ARG 52 Ca 0.02 -1.65 -0.02 0.00 -1.00 0.00 0.00 55.73 53.08 2k8q s ARG 52 Cb -0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 34.95 31.74 2k8q s ARG 52 CO 0.02 -0.82 0.49 -0.06 0.00 0.00 0.00 175.30 174.94 2k8q s PHE 53 N 1.01 3.48 -1.28 5.12 0.08 -1.26 -4.54 117.98 120.60 2k8q s PHE 53 Ca 0.04 0.47 0.14 0.00 0.12 0.00 0.00 56.93 57.71 2k8q s PHE 53 Cb -0.19 -1.97 0.69 0.00 -0.57 0.00 0.00 43.02 40.98 2k8q s PHE 53 CO -0.08 0.24 1.42 -0.35 -0.10 0.00 0.00 175.22 176.35 2k8q n PRO 54 N -1.02 0.14 -2.39 0.24 -0.04 -1.26 -4.76 135.00 125.90 2k8q n PRO 54 Ca -0.03 0.19 -0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2k8q n PRO 54 Cb 0.54 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.36 -0.17 -4.44 0.54 8.25 -1.26 -5.15 115.22 111.64 2k8q n HIS 55 Ca 0.06 -0.50 -0.28 0.00 -0.26 0.00 0.00 57.72 56.74 2k8q n HIS 55 Cb 0.13 -0.07 -0.17 0.00 1.12 0.00 0.00 29.99 31.00 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 -2.39 2.18 0.59 -0.41 -1.05 -1.26 -4.55 118.70 111.81 2k8q s GLU 56 Ca 0.02 -0.55 0.09 0.00 -0.15 0.00 0.00 54.97 54.38 2k8q s GLU 56 Cb -0.00 -1.86 0.09 0.00 -0.44 0.00 0.00 34.13 31.92 2k8q s GLU 56 CO 0.01 -0.07 0.77 -0.51 0.95 0.00 0.00 175.26 176.41 2k8q s LEU 57 N 1.00 2.98 0.01 1.83 1.43 -1.02 -3.71 118.68 121.20 2k8q s LEU 57 Ca -0.06 -0.95 0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2k8q s LEU 57 Cb -0.15 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2k8q s LEU 57 CO -0.02 -1.39 -0.03 -0.51 0.23 0.00 0.00 176.35 174.63 2k8q s ILE 58 N -2.72 0.22 -0.52 -0.59 2.07 -0.73 -4.35 121.20 114.59 2k8q s ILE 58 Ca 0.59 -0.33 -0.15 0.00 -1.41 0.00 0.00 60.65 59.35 2k8q s ILE 58 Cb -0.05 -0.23 0.12 0.00 0.13 0.00 0.00 42.46 42.43 2k8q s ILE 58 CO 0.37 -0.07 0.45 -0.62 -1.91 0.00 0.00 174.94 173.16 2k8q s ASP 59 N -0.43 6.10 0.00 4.50 2.15 -1.26 -3.74 116.67 123.98 2k8q s ASP 59 Ca -0.03 -1.72 0.00 0.00 0.43 0.00 0.00 52.55 51.23 2k8q s ASP 59 Cb -0.03 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 2k8q s ASP 59 CO -0.00 -0.79 0.00 -0.67 -0.17 0.00 0.00 175.17 173.53 2k8q n ASP 60 N 5.19 1.06 0.21 -0.34 -0.08 -1.26 -4.99 116.55 116.34 2k8q n ASP 60 Ca -0.13 -0.79 0.09 0.00 -1.51 0.00 0.00 54.79 52.45 2k8q n ASP 60 Cb 0.41 0.00 0.44 0.00 2.34 0.00 0.00 41.12 44.31 2k8q n ASP 60 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2k8q h GLU 61 N 0.00 0.00 -0.03 -0.67 4.11 -2.04 -2.89 114.58 113.07 2k8q h GLU 61 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2k8q h GLU 61 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k8q h GLU 61 CO 0.00 0.27 -0.73 0.07 0.07 0.00 0.00 179.01 178.69 2k8q h ARG 62 N 0.00 0.17 -6.67 1.06 -0.00 -1.98 -3.44 114.38 103.52 2k8q h ARG 62 Ca -0.00 -0.15 -0.53 0.00 -0.00 0.00 0.00 59.98 59.30 2k8q h ARG 62 Cb 0.76 0.03 0.05 0.00 -0.00 0.00 0.00 29.97 30.81 2k8q h ARG 62 CO 0.03 0.82 0.86 -1.54 -0.00 0.00 0.00 179.97 180.14 2k8q s SER 63 N -6.89 6.57 -0.20 0.08 1.04 -1.09 -4.89 113.70 108.32 2k8q s SER 63 Ca -0.03 2.68 -0.36 0.00 0.48 0.00 0.00 55.95 58.73 2k8q s SER 63 Cb 0.11 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.77 2k8q s SER 63 CO 0.80 -0.81 1.35 0.28 0.98 0.00 0.00 173.24 175.84 2k8q s THR 64 N 0.70 0.00 0.02 2.02 -1.32 -0.93 -4.85 115.64 111.28 2k8q s THR 64 Ca 0.67 -0.03 0.08 0.00 -1.21 0.00 0.00 61.69 61.19 2k8q s THR 64 Cb -0.44 -1.32 -0.02 0.00 -1.51 0.00 0.00 72.50 69.20 2k8q s THR 64 CO 0.36 0.00 -0.23 0.00 -2.21 0.00 0.00 174.62 172.55 2k8q s ALA 65 N -2.16 1.92 -0.08 11.08 0.00 -1.26 -0.02 121.76 131.25 2k8q s ALA 65 Ca 0.12 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2k8q s ALA 65 Cb 0.02 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.71 2k8q s ALA 65 CO -0.04 0.45 -0.20 -0.65 0.00 0.00 0.00 175.76 175.32 2k8q s GLN 66 N -0.93 2.48 -0.10 0.00 -1.52 0.86 -4.97 119.66 115.49 2k8q s GLN 66 Ca 0.09 -0.72 -0.21 0.00 -1.95 0.00 0.00 55.36 52.57 2k8q s GLN 66 Cb -0.09 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 2k8q s GLN 66 CO 0.01 0.17 0.59 -0.47 -0.25 0.00 0.00 175.29 175.34 2k8q s TYR 67 N 0.34 3.53 -0.21 0.91 5.04 -1.26 -1.31 117.35 124.38 2k8q s TYR 67 Ca -0.14 1.06 -0.05 0.00 -2.44 0.00 0.00 57.07 55.50 2k8q s TYR 67 Cb -0.16 -2.69 -0.02 0.00 0.35 0.00 0.00 41.96 39.44 2k8q s TYR 67 CO 0.06 0.10 -0.00 0.16 -1.34 0.00 0.00 175.55 174.53 2k8q s ASP 68 N 0.76 4.74 -0.08 4.32 -4.77 -0.59 -4.99 116.67 116.06 2k8q s ASP 68 Ca 0.32 -0.25 -0.11 0.00 -3.30 0.00 0.00 52.55 49.21 2k8q s ASP 68 Cb -0.16 -1.82 -0.29 0.00 -1.09 0.00 0.00 42.92 39.56 2k8q s ASP 68 CO 0.14 0.03 0.56 0.77 0.70 0.00 0.00 175.17 177.37 2k8q h SER 69 N 7.73 0.52 -0.37 2.11 4.64 -1.94 0.15 113.55 126.39 2k8q h SER 69 Ca -0.37 -0.92 0.11 0.00 -0.47 0.00 0.00 61.79 60.13 2k8q h SER 69 Cb 1.17 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 2k8q h SER 69 CO 0.60 1.78 0.36 0.07 -0.87 0.00 0.00 176.83 178.77 2k8q h LYS 70 N 0.01 0.00 0.00 4.77 -0.00 -1.97 -1.62 116.57 117.76 2k8q h LYS 70 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 2k8q h LYS 70 Cb 2.01 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 34.24 2k8q h LYS 70 CO 0.13 0.00 -0.69 -3.47 -0.00 0.00 0.00 179.45 175.42 2k8q n ASP 71 N -3.90 1.98 -1.68 7.07 2.03 -1.25 -5.00 116.55 115.80 2k8q n ASP 71 Ca 0.06 -0.32 -0.17 0.00 0.52 0.00 0.00 54.79 54.88 2k8q n ASP 71 Cb 0.53 1.10 -0.04 0.00 -0.72 0.00 0.00 41.12 41.99 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 -1.37 -1.29 -4.04 -0.67 1.02 0.44 -4.99 120.64 109.75 2k8q n GLU 72 Ca 0.00 0.94 -0.25 0.00 -0.02 0.00 0.00 57.16 57.83 2k8q n GLU 72 Cb 0.09 -5.30 -0.05 0.00 -0.02 0.00 0.00 31.44 26.17 2k8q n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k8q s ILE 74 N -2.66 1.81 -0.20 0.00 -1.09 -0.54 -1.54 121.20 116.99 2k8q s ILE 74 Ca 0.37 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 57.85 2k8q s ILE 74 Cb 0.01 -1.56 -0.02 0.00 -1.58 0.00 0.00 42.46 39.31 2k8q s ILE 74 CO 0.21 0.51 -0.02 0.20 -1.23 0.00 0.00 174.94 174.60 2k8q s ASN 75 N 0.21 4.64 -0.16 3.58 0.01 -0.43 -1.39 114.94 121.40 2k8q s ASN 75 Ca -0.12 -0.25 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 2k8q s ASN 75 Cb -0.15 -1.78 -0.00 0.00 0.41 0.00 0.00 41.25 39.72 2k8q s ASN 75 CO 0.06 0.06 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.87 2k8q s VAL 76 N 1.00 2.72 -0.05 1.60 1.01 0.11 -0.10 120.40 126.69 2k8q s VAL 76 Ca 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2k8q s VAL 76 Cb -0.14 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 2k8q s VAL 76 CO 0.01 0.51 -0.09 -0.75 0.00 0.00 0.00 175.10 174.79 2k8q s LYS 77 N 0.81 2.67 -0.24 2.72 2.36 0.97 -0.73 119.74 128.30 2k8q s LYS 77 Ca -0.05 -0.60 -0.10 0.00 -2.55 0.00 0.00 55.97 52.67 2k8q s LYS 77 Cb -0.15 -2.53 0.09 0.00 -1.05 0.00 0.00 37.83 34.19 2k8q s LYS 77 CO 0.00 0.65 0.54 0.54 1.55 0.00 0.00 175.35 178.63 2k8q s VAL 78 N -0.82 -0.49 0.51 4.02 0.11 -0.94 -2.20 120.40 120.59 2k8q s VAL 78 Ca 0.13 0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 2k8q s VAL 78 Cb -0.11 -0.82 -0.08 0.00 -1.53 0.00 0.00 36.38 33.85 2k8q s VAL 78 CO 0.02 0.03 1.00 0.00 -3.33 0.00 0.00 175.10 172.82 2k8q s ALA 79 N 2.26 2.96 0.39 1.54 0.00 -1.25 -0.31 121.76 127.36 2k8q s ALA 79 Ca -0.06 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.32 2k8q s ALA 79 Cb -0.10 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2k8q s ALA 79 CO -0.16 -0.28 0.39 0.21 0.00 0.00 0.00 175.76 175.92 2k8q s LYS 80 N -3.73 2.64 0.04 0.00 2.36 -1.26 -1.77 119.74 118.02 2k8q s LYS 80 Ca 0.62 -1.42 0.22 0.00 -2.55 0.00 0.00 55.97 52.84 2k8q s LYS 80 Cb -0.12 -2.47 0.91 0.00 -1.05 0.00 0.00 37.83 35.10 2k8q s LYS 80 CO 0.26 -0.13 1.69 1.28 1.55 0.00 0.00 175.35 180.01 2k8q n LEU 81 N -1.55 0.12 -3.85 5.43 4.77 -1.24 -4.73 117.00 115.95 2k8q n LEU 81 Ca 0.03 0.52 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 2k8q n LEU 81 Cb 0.61 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 2k8q n LEU 81 CO 0.42 -0.17 -0.22 0.20 -1.33 0.00 0.00 177.39 176.29 2k8q s ASN 82 N -3.22 -0.08 0.50 -1.43 0.01 -1.26 -5.13 114.94 104.34 2k8q s ASN 82 Ca 0.10 0.12 -0.08 0.00 -0.71 0.00 0.00 52.86 52.29 2k8q s ASN 82 Cb 0.13 0.24 -0.04 0.00 0.41 0.00 0.00 41.25 41.99 2k8q s ASN 82 CO 0.41 -0.13 0.85 -0.75 -1.51 0.00 0.00 177.10 175.97 2k8q s LYS 83 N -0.32 3.60 -1.66 -0.60 2.20 -1.26 -3.87 119.74 117.83 2k8q s LYS 83 Ca -0.04 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 2k8q s LYS 83 Cb -0.03 -2.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 2k8q s LYS 83 CO 0.00 -0.27 0.00 0.09 -0.36 0.00 0.00 175.35 174.81 2k8q n ASN 84 N -2.22 -5.41 -4.88 1.43 5.03 -0.39 -4.96 115.26 103.85 2k8q n ASN 84 Ca 0.02 0.39 -0.32 0.00 0.87 0.00 0.00 54.58 55.53 2k8q n ASN 84 Cb 0.55 -4.29 -0.05 0.00 -1.02 0.00 0.00 39.78 34.97 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 -3.29 3.70 0.03 3.52 2.56 -1.25 -4.90 118.70 119.06 2k8q s GLU 85 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.97 55.04 2k8q s GLU 85 Cb 0.00 -2.85 -0.00 0.00 2.00 0.00 0.00 34.13 33.28 2k8q s GLU 85 CO 0.00 0.46 0.01 2.48 -0.56 0.00 0.00 175.26 177.65 2k8q n TYR 86 N 0.27 0.02 -4.13 5.30 4.11 -1.26 -4.45 117.16 117.01 2k8q n TYR 86 Ca -0.03 -0.18 -0.12 0.00 -0.00 0.00 0.00 57.90 57.56 2k8q n TYR 86 Cb 0.52 -0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.75 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 -1.58 0.86 -0.11 -3.48 0.40 -1.26 -5.03 117.98 107.77 2k8q s PHE 87 Ca 0.01 -0.70 0.02 0.00 -0.60 0.00 0.00 56.93 55.66 2k8q s PHE 87 Cb 0.00 -0.49 -0.01 0.00 0.51 0.00 0.00 43.02 43.02 2k8q s PHE 87 CO 0.01 -0.09 0.15 0.39 0.70 0.00 0.00 175.22 176.38 2k8q n GLU 88 N 0.64 5.30 -0.03 0.44 -0.58 -1.26 -4.62 120.64 120.53 2k8q n GLU 88 Ca -0.17 -0.10 -0.00 0.00 -0.42 0.00 0.00 57.16 56.47 2k8q n GLU 88 Cb 0.58 -0.66 -0.14 0.00 -0.57 0.00 0.00 31.44 30.65 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2k8q n ASP 89 N -0.87 0.24 0.34 1.62 8.00 -1.26 -4.16 116.55 120.46 2k8q n ASP 89 Ca 0.00 0.11 0.22 0.00 0.71 0.00 0.00 54.79 55.83 2k8q n ASP 89 Cb 0.03 1.09 1.16 0.00 -0.02 0.00 0.00 41.12 43.37 2k8q n ASP 89 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2k8q h LEU 90 N 0.00 0.00 -1.38 0.64 4.07 -1.95 0.84 115.31 117.53 2k8q h LEU 90 Ca -0.26 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 2k8q h LEU 90 Cb 1.66 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.40 2k8q h LEU 90 CO 0.02 0.00 -0.04 0.44 -1.08 0.00 0.00 178.44 177.79 2k8q h ASP 91 N 0.00 0.00 -3.70 -0.43 5.19 -1.87 -3.41 116.42 112.20 2k8q h ASP 91 Ca 0.00 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.73 2k8q h ASP 91 Cb 0.10 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 39.28 2k8q h ASP 91 CO 0.00 0.04 -0.71 -0.76 -3.12 0.00 0.00 179.24 174.69 2k8q s LEU 92 N -6.30 3.72 0.00 1.55 2.01 0.29 -4.96 118.68 114.99 2k8q s LEU 92 Ca 0.01 -1.15 0.14 0.00 0.01 0.00 0.00 54.13 53.14 2k8q s LEU 92 Cb 0.09 -1.71 0.66 0.00 0.01 0.00 0.00 46.19 45.24 2k8q s LEU 92 CO 0.56 -0.23 1.44 -0.81 1.01 0.00 0.00 176.35 178.32 2k8q n PRO 93 N 4.64 0.08 0.01 1.29 -0.04 -1.26 -2.23 135.00 137.50 2k8q n PRO 93 Ca -0.14 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.59 2k8q n PRO 93 Cb 0.44 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.42 0.63 0.16 0.52 -2.24 -1.26 -3.81 114.28 106.86 2k8q n THR 94 Ca 0.05 -0.61 0.03 0.00 -2.27 0.00 0.00 64.05 61.25 2k8q n THR 94 Cb 0.15 -0.32 0.19 0.00 -2.10 0.00 0.00 70.33 68.25 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 0.00 -0.78 6.56 -1.74 -2.64 116.57 117.97 2k8q h LYS 95 Ca -0.12 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.47 2k8q h LYS 95 Cb 1.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 2k8q h LYS 95 CO 0.01 0.49 -0.00 -0.07 -2.06 0.00 0.00 179.45 177.82 2k8q h LEU 96 N 0.00 -0.00 0.35 2.94 3.38 -1.71 -3.39 115.31 116.87 2k8q h LEU 96 Ca -0.00 -0.89 -0.02 0.00 0.09 0.00 0.00 57.88 57.05 2k8q h LEU 96 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k8q h LEU 96 CO 0.06 0.91 -0.17 -0.07 0.09 0.00 0.00 178.44 179.27 2k8q h LEU 97 N -0.94 -0.39 0.60 1.67 3.38 -1.66 -3.27 115.31 114.70 2k8q h LEU 97 Ca -0.00 0.01 -0.41 0.00 0.09 0.00 0.00 57.88 57.58 2k8q h LEU 97 Cb 0.90 0.10 0.07 0.00 0.09 0.00 0.00 40.66 41.82 2k8q h LEU 97 CO 0.00 -0.28 -0.62 0.00 0.09 0.00 0.00 178.44 177.63 2k8q n ALA 98 N -2.24 -1.05 -2.00 1.53 0.00 -1.00 -4.97 120.51 110.79 2k8q n ALA 98 Ca -0.06 0.31 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 2k8q n ALA 98 Cb 0.18 -4.21 0.09 0.00 0.00 0.00 0.00 19.45 15.51 2k8q n ALA 98 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k8q s ARG 99 N -5.85 1.93 -0.02 0.00 1.81 -1.26 -5.05 118.95 110.50 2k8q s ARG 99 Ca 0.37 -1.23 0.03 0.00 -1.72 0.00 0.00 55.73 53.18 2k8q s ARG 99 Cb -0.17 -2.43 -0.04 0.00 -0.45 0.00 0.00 34.95 31.86 2k8q s ARG 99 CO 0.46 -1.22 0.04 0.00 -0.68 0.00 0.00 175.30 173.90 2k8q n GLN 100 N -2.63 2.10 0.00 3.54 10.64 -1.26 -5.02 117.38 124.76 2k8q n GLN 100 Ca 0.14 -0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.30 2k8q n GLN 100 Cb 0.61 -1.08 0.00 0.00 -0.86 0.00 0.00 30.24 28.91 2k8q n GLN 100 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k8q n GLY 101 N 2.60 -1.81 3.41 2.61 0.00 -1.26 -4.92 105.19 105.82 2k8q n GLY 101 Ca -0.03 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 44.60 2k8q n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k8q s ASP 102 N -1.60 6.12 0.14 1.61 1.11 -1.26 -4.93 116.67 117.85 2k8q s ASP 102 Ca 0.00 -1.20 -0.05 0.00 0.18 0.00 0.00 52.55 51.48 2k8q s ASP 102 Cb 0.00 -2.17 -0.07 0.00 1.07 0.00 0.00 42.92 41.75 2k8q s ASP 102 CO 0.00 -0.58 1.33 0.17 1.18 0.00 0.00 175.17 177.27 2k8q h LEU 103 N 8.70 0.57 -2.05 1.23 8.10 -1.91 -3.09 115.31 126.86 2k8q h LEU 103 Ca -0.28 -0.43 -0.01 0.00 0.11 0.00 0.00 57.88 57.27 2k8q h LEU 103 Cb 1.11 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 41.16 2k8q h LEU 103 CO 0.83 1.21 -0.06 0.00 -4.11 0.00 0.00 178.44 176.31 2k8q h ALA 104 N 0.76 1.15 -0.85 0.17 0.00 -1.92 -3.45 119.26 115.12 2k8q h ALA 104 Ca -0.07 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.87 2k8q h ALA 104 Cb 1.50 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2k8q h ALA 104 CO 0.16 0.08 -0.26 0.41 0.00 0.00 0.00 179.25 179.63 2k8q n GLY 105 N -0.60 -2.40 1.87 0.00 0.00 -1.17 -4.59 105.19 98.31 2k8q n GLY 105 Ca -0.01 -1.38 -0.00 0.00 0.00 0.00 0.00 46.02 44.62 2k8q n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8q n ALA 106 N -2.66 4.23 -2.37 4.61 0.00 -1.26 -4.94 120.51 118.12 2k8q n ALA 106 Ca -0.02 -2.23 -0.30 0.00 0.00 0.00 0.00 53.44 50.90 2k8q n ALA 106 Cb 0.17 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 2k8q n ALA 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k8q s ASP 107 N -1.06 3.28 -0.06 0.00 2.15 -1.26 -5.14 116.67 114.58 2k8q s ASP 107 Ca 0.54 -0.65 -0.04 0.00 0.43 0.00 0.00 52.55 52.83 2k8q s ASP 107 Cb 0.43 -0.28 0.03 0.00 -0.30 0.00 0.00 42.92 42.79 2k8q s ASP 107 CO 0.14 0.22 0.16 0.00 -0.17 0.00 0.00 175.17 175.52 2k8q s ALA 108 N -0.93 -0.35 0.01 3.66 0.00 -1.26 -4.96 121.76 117.93 2k8q s ALA 108 Ca 0.13 0.56 -0.20 0.00 0.00 0.00 0.00 51.96 52.45 2k8q s ALA 108 Cb -0.10 -0.35 0.04 0.00 0.00 0.00 0.00 23.12 22.71 2k8q s ALA 108 CO 0.04 -0.11 0.45 -0.48 0.00 0.00 0.00 175.76 175.66 2k8q s LEU 109 N 0.54 0.27 -0.25 0.00 0.05 -1.26 -5.16 118.68 112.87 2k8q s LEU 109 Ca -0.04 0.17 -0.06 0.00 0.05 0.00 0.00 54.13 54.26 2k8q s LEU 109 Cb -0.05 1.80 0.13 0.00 -2.05 0.00 0.00 46.19 46.02 2k8q s LEU 109 CO -0.03 -0.60 0.50 0.28 -0.55 0.00 0.00 176.35 175.95 2k8q s THR 110 N -1.92 -0.79 0.02 5.48 -1.32 -1.26 -5.16 115.64 110.69 2k8q s THR 110 Ca -0.09 0.04 0.07 0.00 -1.21 0.00 0.00 61.69 60.51 2k8q s THR 110 Cb -0.02 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 70.10 2k8q s THR 110 CO 0.02 -0.00 -0.19 -1.83 -2.21 0.00 0.00 174.62 170.40 2k8q s GLU 111 N 2.71 2.10 -0.24 7.08 1.03 -1.26 -5.12 118.70 125.01 2k8q s GLU 111 Ca 0.05 -0.95 -0.03 0.00 0.03 0.00 0.00 54.97 54.07 2k8q s GLU 111 Cb -0.13 -2.18 0.01 0.00 -0.80 0.00 0.00 34.13 31.03 2k8q s GLU 111 CO -0.16 0.55 -0.04 1.21 -1.33 0.00 0.00 175.26 175.48 2k8q s ASN 112 N -1.25 4.35 0.94 0.83 2.47 -1.26 -5.10 114.94 115.92 2k8q s ASN 112 Ca 0.13 -0.69 -0.12 0.00 0.42 0.00 0.00 52.86 52.60 2k8q s ASN 112 Cb -0.10 -1.70 0.08 0.00 -1.45 0.00 0.00 41.25 38.07 2k8q s ASN 112 CO 0.04 -0.10 0.67 1.07 -3.72 0.00 0.00 177.10 175.06 2k8q n THR 113 N 4.73 0.00 -3.90 -5.21 5.66 -1.26 -5.01 114.28 109.29 2k8q n THR 113 Ca -0.17 -0.12 -0.30 0.00 -3.05 0.00 0.00 64.05 60.41 2k8q n THR 113 Cb 0.48 -0.76 -0.16 0.00 -1.55 0.00 0.00 70.33 68.35 2k8q n THR 113 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k8q s ASP 114 N -2.24 3.61 0.27 1.09 2.15 -1.26 -5.13 116.67 115.16 2k8q s ASP 114 Ca 0.60 -1.07 0.02 0.00 0.43 0.00 0.00 52.55 52.54 2k8q s ASP 114 Cb -0.22 -1.06 -0.03 0.00 -0.30 0.00 0.00 42.92 41.31 2k8q s ASP 114 CO 0.64 -0.24 0.43 0.00 -0.17 0.00 0.00 175.17 175.83 2k8q s ALA 115 N 1.49 3.83 -0.25 3.66 0.00 -1.26 -5.10 121.76 124.14 2k8q s ALA 115 Ca -0.04 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.87 2k8q s ALA 115 Cb -0.18 -1.91 0.07 0.00 0.00 0.00 0.00 23.12 21.10 2k8q s ALA 115 CO -0.07 0.19 -0.03 -1.59 0.00 0.00 0.00 175.76 174.26 2k8q s LYS 116 N -3.98 1.54 -0.19 0.00 0.00 -1.26 -5.10 119.74 110.75 2k8q s LYS 116 Ca 0.37 -1.07 -0.15 0.00 0.00 0.00 0.00 55.97 55.11 2k8q s LYS 116 Cb -0.10 -2.59 0.05 0.00 0.00 0.00 0.00 37.83 35.19 2k8q s LYS 116 CO 0.32 -0.66 0.49 0.21 0.00 0.00 0.00 175.35 175.71 2k8q s LYS 117 N 1.37 0.55 -0.49 1.78 2.47 -1.26 -5.10 119.74 119.06 2k8q s LYS 117 Ca -0.03 0.75 -0.31 0.00 -1.56 0.00 0.00 55.97 54.82 2k8q s LYS 117 Cb -0.19 0.21 -0.11 0.00 -1.46 0.00 0.00 37.83 36.28 2k8q s LYS 117 CO -0.08 -0.09 2.36 -2.37 0.16 0.00 0.00 175.35 175.33 2k8q n THR 118 N 3.23 0.08 -3.21 3.43 5.66 -1.26 -4.87 114.28 117.34 2k8q n THR 118 Ca -0.16 -0.41 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 2k8q n THR 118 Cb 0.56 -1.92 -0.03 0.00 -1.55 0.00 0.00 70.33 67.40 2k8q n THR 118 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2k8q s GLN 119 N 7.38 0.51 -0.68 1.09 0.74 -1.26 -5.07 119.66 122.37 2k8q s GLN 119 Ca 1.10 0.80 0.05 0.00 0.05 0.00 0.00 55.36 57.35 2k8q s GLN 119 Cb -0.65 0.22 0.27 0.00 1.10 0.00 0.00 33.01 33.95 2k8q s GLN 119 CO 0.40 -0.69 0.87 1.63 -0.55 0.00 0.00 175.29 176.95 2k8q n LYS 120 N 5.41 2.89 -0.09 1.67 5.02 -1.26 -5.08 118.16 126.72 2k8q n LYS 120 Ca -0.01 -4.70 -0.03 0.00 -2.02 0.00 0.00 58.31 51.55 2k8q n LYS 120 Cb 0.51 -2.28 0.02 0.00 -0.02 0.00 0.00 35.03 33.26 2k8q n LYS 120 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2k8q n PRO 121 N 0.68 -1.21 -3.75 1.97 -0.04 -1.26 -5.09 135.00 126.30 2k8q n PRO 121 Ca 0.30 -0.16 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 2k8q n PRO 121 Cb 0.40 -0.15 -0.16 0.00 -0.04 0.00 0.00 33.50 33.55 2k8q n PRO 121 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2k8q s LEU 122 N 0.00 0.86 -0.08 1.53 0.05 -1.26 -5.15 118.68 114.63 2k8q s LEU 122 Ca 0.06 0.11 -0.06 0.00 0.05 0.00 0.00 54.13 54.30 2k8q s LEU 122 Cb -0.01 0.04 0.03 0.00 -2.05 0.00 0.00 46.19 44.20 2k8q s LEU 122 CO 0.05 -0.15 0.21 -0.63 -0.55 0.00 0.00 176.35 175.28 2k8q s ILE 123 N 1.24 -0.02 -0.01 1.48 1.01 -1.26 -5.16 121.20 118.48 2k8q s ILE 123 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 2k8q s ILE 123 Cb -0.13 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 2k8q s ILE 123 CO -0.04 0.04 0.09 0.00 0.00 0.00 0.00 174.94 175.03 2k8q s GLN 124 N 0.74 3.09 0.07 2.79 -2.07 -1.26 -5.12 119.66 117.90 2k8q s GLN 124 Ca -0.05 -0.47 0.06 0.00 -1.82 0.00 0.00 55.36 53.08 2k8q s GLN 124 Cb -0.07 -2.88 -0.03 0.00 -1.09 0.00 0.00 33.01 28.95 2k8q s GLN 124 CO -0.04 0.65 -0.16 -1.83 -1.32 0.00 0.00 175.29 172.59 2k8q s GLU 125 N -1.72 0.98 0.00 9.60 4.04 -1.26 -5.15 118.70 125.19 2k8q s GLU 125 Ca 0.23 -0.95 0.02 0.00 0.04 0.00 0.00 54.97 54.31 2k8q s GLU 125 Cb -0.12 -1.06 -0.01 0.00 0.02 0.00 0.00 34.13 32.96 2k8q s GLU 125 CO 0.14 0.25 -0.05 0.08 -1.84 0.00 0.00 175.26 173.83 2k8q s VAL 126 N -1.08 0.41 -0.14 1.83 1.01 -1.26 -5.15 120.40 116.02 2k8q s VAL 126 Ca 0.02 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.53 2k8q s VAL 126 Cb -0.09 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 35.95 2k8q s VAL 126 CO 0.02 0.03 0.36 -0.70 0.00 0.00 0.00 175.10 174.81 2k8q s GLU 127 N -0.35 0.41 -0.28 2.72 2.12 -1.26 -5.14 118.70 116.92 2k8q s GLU 127 Ca -0.00 0.53 -0.01 0.00 0.36 0.00 0.00 54.97 55.85 2k8q s GLU 127 Cb -0.03 0.17 0.17 0.00 0.26 0.00 0.00 34.13 34.69 2k8q s GLU 127 CO -0.00 -0.07 0.50 -0.08 -0.54 0.00 0.00 175.26 175.07 2k8q s THR 128 N 0.37 -0.82 0.33 -1.70 -1.32 -1.26 -5.16 115.64 106.08 2k8q s THR 128 Ca -0.01 -0.04 0.05 0.00 -1.21 0.00 0.00 61.69 60.47 2k8q s THR 128 Cb -0.03 -0.92 -0.03 0.00 -1.51 0.00 0.00 72.50 70.00 2k8q s THR 128 CO -0.01 -0.06 0.21 1.51 -2.21 0.00 0.00 174.62 174.06 2k8q s ASP 129 N 2.71 1.71 0.00 8.08 -4.77 -1.26 -5.16 116.67 117.99 2k8q s ASP 129 Ca 0.17 -1.67 0.00 0.00 -3.30 0.00 0.00 52.55 47.75 2k8q s ASP 129 Cb -0.15 0.50 0.00 0.00 -1.09 0.00 0.00 42.92 42.18 2k8q s ASP 129 CO -0.19 -0.98 0.00 0.61 0.70 0.00 0.00 175.17 175.30 2k8q n GLY 130 N -0.64 3.06 3.17 2.12 0.00 -1.26 -5.16 105.19 106.48 2k8q n GLY 130 Ca 0.03 0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2k8q n GLY 130 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k8q s VAL 131 N 0.89 1.67 0.02 1.61 1.01 -1.26 -5.14 120.40 119.21 2k8q s VAL 131 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.15 2k8q s VAL 131 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2k8q s VAL 131 CO 0.00 0.47 0.11 -0.55 0.00 0.00 0.00 175.10 175.13 2k8q s SER 132 N 0.15 5.80 0.01 3.32 0.15 -1.26 -5.11 113.70 116.76 2k8q s SER 132 Ca -0.09 0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.72 2k8q s SER 132 Cb -0.14 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.45 2k8q s SER 132 CO 0.04 0.24 0.03 0.21 1.20 0.00 0.00 173.24 174.96 2k8q s ASN 133 N -2.00 5.29 0.00 5.45 2.47 -1.26 -5.37 114.94 119.52 2k8q s ASN 133 Ca 0.26 0.02 0.25 0.00 0.42 0.00 0.00 52.86 53.81 2k8q s ASN 133 Cb -0.12 -1.42 1.49 0.00 -1.45 0.00 0.00 41.25 39.75 2k8q s ASN 133 CO 0.18 0.26 1.85 0.59 -3.72 0.00 0.00 177.10 176.26