#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 1.29 -2.96 -0.61 2.04 -1.94 -3.47 117.51 111.87 2k8q h ILE 2 Ca 0.00 -2.92 -0.59 0.00 1.00 0.00 0.00 64.86 62.36 2k8q h ILE 2 Cb 0.00 2.82 0.15 0.00 -0.74 0.00 0.00 36.82 39.05 2k8q h ILE 2 CO 0.00 0.84 -0.11 1.07 0.00 0.00 0.00 178.15 179.95 2k8q n THR 3 N -3.46 2.46 -0.02 -0.27 5.66 -1.26 -4.93 114.28 112.46 2k8q n THR 3 Ca -0.13 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.24 2k8q n THR 3 Cb 1.03 -0.89 -0.09 0.00 -1.55 0.00 0.00 70.33 68.83 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 0.86 0.10 -2.79 1.09 0.13 -1.91 -3.47 132.00 126.01 2k8q h PRO 4 Ca -0.44 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.52 0.56 -0.03 1.03 -0.23 0.00 0.00 178.00 179.85 2k8q s ARG 5 N -4.27 0.95 -0.27 0.86 3.00 -1.25 -5.09 118.95 112.88 2k8q s ARG 5 Ca -0.15 -0.21 -0.25 0.00 0.00 0.00 0.00 55.73 55.11 2k8q s ARG 5 Cb 0.03 0.43 0.12 0.00 0.00 0.00 0.00 34.95 35.53 2k8q s ARG 5 CO 0.70 -0.32 1.00 -0.59 0.00 0.00 0.00 175.30 176.08 2k8q s PHE 6 N -2.15 -0.49 -0.01 -0.53 -0.12 -1.26 -1.36 117.98 112.05 2k8q s PHE 6 Ca -0.07 1.18 0.06 0.00 -0.05 0.00 0.00 56.93 58.05 2k8q s PHE 6 Cb -0.01 0.36 -0.02 0.00 -0.63 0.00 0.00 43.02 42.72 2k8q s PHE 6 CO 0.00 -0.25 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.60 2k8q s SER 7 N 0.13 2.37 -0.03 1.98 0.01 0.10 -4.97 113.70 113.30 2k8q s SER 7 Ca 0.02 -0.37 0.02 0.00 1.31 0.00 0.00 55.95 56.94 2k8q s SER 7 Cb -0.05 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.89 2k8q s SER 7 CO -0.05 0.25 -0.08 -0.63 0.41 0.00 0.00 173.24 173.14 2k8q s ILE 8 N -0.48 3.61 0.04 1.44 1.01 -1.26 0.30 121.20 125.86 2k8q s ILE 8 Ca 0.08 -0.65 0.05 0.00 0.00 0.00 0.00 60.65 60.13 2k8q s ILE 8 Cb -0.08 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2k8q s ILE 8 CO -0.01 0.50 -0.15 -0.89 0.00 0.00 0.00 174.94 174.38 2k8q s THR 9 N -0.89 1.22 0.01 2.92 2.01 0.88 -4.93 115.64 116.86 2k8q s THR 9 Ca 0.15 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 61.12 2k8q s THR 9 Cb -0.11 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 2k8q s THR 9 CO 0.04 0.02 -0.11 0.00 -0.69 0.00 0.00 174.62 173.88 2k8q s GLN 10 N -1.21 2.39 0.40 4.92 0.00 -1.26 -0.58 119.66 124.32 2k8q s GLN 10 Ca 0.02 -0.80 0.04 0.00 -0.00 0.00 0.00 55.36 54.62 2k8q s GLN 10 Cb -0.08 -2.39 -0.03 0.00 0.00 0.00 0.00 33.01 30.51 2k8q s GLN 10 CO 0.01 0.58 0.11 -0.51 0.00 0.00 0.00 175.29 175.49 2k8q s ASP 11 N -1.37 2.83 -0.11 12.60 1.01 -0.73 -4.92 116.67 125.98 2k8q s ASP 11 Ca 0.16 -1.63 0.10 0.00 0.71 0.00 0.00 52.55 51.88 2k8q s ASP 11 Cb -0.11 0.43 0.47 0.00 1.01 0.00 0.00 42.92 44.72 2k8q s ASP 11 CO 0.06 -0.88 1.28 -1.84 0.21 0.00 0.00 175.17 173.99 2k8q n GLU 12 N -0.91 3.01 0.00 8.23 0.28 -1.26 -4.25 120.64 125.75 2k8q n GLU 12 Ca -0.06 -1.83 0.00 0.00 -0.16 0.00 0.00 57.16 55.11 2k8q n GLU 12 Cb 0.65 -1.80 0.00 0.00 1.43 0.00 0.00 31.44 31.72 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 0.49 0.00 -3.78 3.44 0.00 -1.26 -2.29 120.64 117.24 2k8q n GLU 13 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.21 2k8q n GLU 13 Cb 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 31.44 31.81 2k8q n GLU 13 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 2k8q n PHE 14 N -1.69 -1.94 -4.12 -1.84 -1.74 -1.26 -4.08 117.46 100.79 2k8q n PHE 14 Ca 0.00 -2.02 -0.35 0.00 -0.56 0.00 0.00 57.45 54.52 2k8q n PHE 14 Cb 0.00 0.74 -0.08 0.00 1.52 0.00 0.00 39.48 41.67 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 -2.43 4.87 -0.37 1.97 -1.09 -0.44 -1.77 121.20 121.94 2k8q s ILE 15 Ca 0.21 -0.12 0.03 0.00 -2.23 0.00 0.00 60.65 58.54 2k8q s ILE 15 Cb -0.03 -3.12 0.10 0.00 -1.58 0.00 0.00 42.46 37.83 2k8q s ILE 15 CO 0.15 0.54 0.09 0.12 -1.23 0.00 0.00 174.94 174.62 2k8q s PHE 16 N -1.02 3.69 -0.24 3.97 5.36 0.25 -2.26 117.98 127.73 2k8q s PHE 16 Ca 0.17 -2.94 -0.15 0.00 -0.96 0.00 0.00 56.93 53.04 2k8q s PHE 16 Cb -0.12 -2.96 -0.04 0.00 -0.34 0.00 0.00 43.02 39.56 2k8q s PHE 16 CO 0.06 -0.93 0.37 -1.17 -1.46 0.00 0.00 175.22 172.09 2k8q s LEU 17 N 0.81 4.10 -0.02 6.12 1.98 0.44 -0.09 118.68 132.02 2k8q s LEU 17 Ca 0.11 0.38 0.02 0.00 -2.89 0.00 0.00 54.13 51.76 2k8q s LEU 17 Cb -0.20 -2.44 -0.03 0.00 0.66 0.00 0.00 46.19 44.17 2k8q s LEU 17 CO -0.07 -0.12 -0.05 -0.75 -1.89 0.00 0.00 176.35 173.48 2k8q s LYS 18 N 1.65 2.67 -0.05 1.98 2.20 0.15 0.04 119.74 128.37 2k8q s LYS 18 Ca 0.16 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 55.16 2k8q s LYS 18 Cb -0.15 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 2k8q s LYS 18 CO 0.08 0.63 -0.16 0.42 -0.36 0.00 0.00 175.35 175.96 2k8q s ILE 19 N -0.97 1.36 -0.28 5.43 1.09 0.07 -0.72 121.20 127.17 2k8q s ILE 19 Ca 0.16 -0.66 -0.11 0.00 -1.10 0.00 0.00 60.65 58.95 2k8q s ILE 19 Cb -0.11 -1.19 -0.05 0.00 -1.06 0.00 0.00 42.46 40.05 2k8q s ILE 19 CO 0.07 0.40 0.19 -0.36 -0.10 0.00 0.00 174.94 175.14 2k8q s PHE 20 N 0.22 3.22 0.40 3.97 0.08 -0.46 -1.39 117.98 124.02 2k8q s PHE 20 Ca -0.08 0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.13 2k8q s PHE 20 Cb -0.13 -2.38 -0.02 0.00 -0.57 0.00 0.00 43.02 39.91 2k8q s PHE 20 CO 0.03 -0.17 0.16 0.96 -0.10 0.00 0.00 175.22 176.10 2k8q s ILE 21 N 1.76 0.46 -0.24 0.64 -4.36 -1.25 -3.89 121.20 114.32 2k8q s ILE 21 Ca 0.07 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.57 2k8q s ILE 21 Cb -0.16 -2.36 0.47 0.00 1.25 0.00 0.00 42.46 41.65 2k8q s ILE 21 CO 0.11 0.00 1.37 -1.20 0.24 0.00 0.00 174.94 175.46 2k8q n SER 22 N -1.37 2.40 -4.08 4.36 7.64 -1.26 -4.76 113.62 116.55 2k8q n SER 22 Ca -0.03 -3.67 -0.46 0.00 1.01 0.00 0.00 58.87 55.71 2k8q n SER 22 Cb 0.64 -0.58 0.02 0.00 -1.01 0.00 0.00 64.21 63.28 2k8q n SER 22 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2k8q n ASN 23 N -1.09 -3.97 -4.36 6.43 0.23 -1.26 -4.92 115.26 106.32 2k8q n ASN 23 Ca 0.27 -1.30 -0.36 0.00 -0.53 0.00 0.00 54.58 52.65 2k8q n ASN 23 Cb 0.90 -1.70 -0.13 0.00 -2.08 0.00 0.00 39.78 36.77 2k8q n ASN 23 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 2k8q s ILE 24 N -3.56 3.92 -1.12 1.53 -0.00 -1.26 -4.55 121.20 116.16 2k8q s ILE 24 Ca 0.48 -0.50 -0.02 0.00 -0.00 0.00 0.00 60.65 60.60 2k8q s ILE 24 Cb -0.26 -2.91 0.02 0.00 -0.00 0.00 0.00 42.46 39.30 2k8q s ILE 24 CO 0.97 0.23 0.15 0.54 -0.00 0.00 0.00 174.94 176.84 2k8q n ARG 25 N 4.86 -2.66 -1.95 0.37 5.12 -1.26 -4.84 116.66 116.31 2k8q n ARG 25 Ca -0.16 0.57 -0.43 0.00 -1.93 0.00 0.00 57.85 55.91 2k8q n ARG 25 Cb 0.50 -5.21 -0.03 0.00 -1.16 0.00 0.00 32.46 26.56 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2k8q s PHE 26 N -2.71 1.71 0.56 -1.55 2.19 -1.26 -4.97 117.98 111.96 2k8q s PHE 26 Ca 0.11 0.63 0.07 0.00 0.33 0.00 0.00 56.93 58.07 2k8q s PHE 26 Cb -0.06 -4.09 0.06 0.00 -1.31 0.00 0.00 43.02 37.62 2k8q s PHE 26 CO 0.14 -3.06 0.52 0.45 1.83 0.00 0.00 175.22 175.10 2k8q s SER 27 N 6.53 4.74 -0.15 6.13 0.15 -1.26 -5.05 113.70 124.78 2k8q s SER 27 Ca 0.82 -1.17 0.16 0.00 0.70 0.00 0.00 55.95 56.47 2k8q s SER 27 Cb -0.23 0.45 0.33 0.00 -1.71 0.00 0.00 66.02 64.86 2k8q s SER 27 CO 0.33 -1.21 1.17 0.00 1.20 0.00 0.00 173.24 174.73 2k8q n ALA 28 N -1.92 2.71 -0.05 5.45 0.00 -1.26 -4.58 120.51 120.86 2k8q n ALA 28 Ca 0.03 -2.80 -0.01 0.00 0.00 0.00 0.00 53.44 50.66 2k8q n ALA 28 Cb 0.64 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 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 -1.27 0.62 0.03 0.00 3.14 -1.26 -4.51 118.33 115.08 2k8q n VAL 29 Ca 0.16 -0.55 0.09 0.00 -2.96 0.00 0.00 64.34 61.09 2k8q n VAL 29 Cb 0.66 -0.29 -0.10 0.00 -1.06 0.00 0.00 33.84 33.05 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 1.83 -1.18 3.51 7.55 0.00 -1.26 -4.91 105.19 110.72 2k8q n GLY 30 Ca -0.16 -0.38 -0.51 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.48 2.39 -2.68 0.99 4.32 -1.26 -4.56 117.00 113.72 2k8q n LEU 31 Ca -0.05 0.53 -0.05 0.00 -0.02 0.00 0.00 56.01 56.43 2k8q n LEU 31 Cb 0.62 -1.28 0.06 0.00 -1.62 0.00 0.00 43.42 41.20 2k8q n LEU 31 CO 0.44 -0.62 0.53 1.21 -1.22 0.00 0.00 177.39 177.73 2k8q n GLU 32 N 7.78 0.18 -2.68 3.23 4.07 -1.26 -5.02 120.64 126.94 2k8q n GLU 32 Ca 0.37 -0.83 -0.42 0.00 -0.06 0.00 0.00 57.16 56.22 2k8q n GLU 32 Cb 0.24 -0.29 -0.04 0.00 -0.06 0.00 0.00 31.44 31.29 2k8q n GLU 32 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2k8q s ILE 33 N 0.35 4.62 0.15 6.31 1.01 -1.26 -4.52 121.20 127.86 2k8q s ILE 33 Ca 0.26 1.99 0.08 0.00 0.00 0.00 0.00 60.65 62.98 2k8q s ILE 33 Cb 0.19 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 2k8q s ILE 33 CO -0.10 0.21 -0.17 0.27 0.00 0.00 0.00 174.94 175.15 2k8q s ILE 34 N 0.61 1.66 -0.12 2.92 -5.25 -1.07 -4.97 121.20 114.98 2k8q s ILE 34 Ca 0.51 -1.84 -0.00 0.00 -0.99 0.00 0.00 60.65 58.32 2k8q s ILE 34 Cb -0.23 -1.74 -0.02 0.00 2.95 0.00 0.00 42.46 43.42 2k8q s ILE 34 CO 0.29 -0.34 -0.11 -0.63 -1.79 0.00 0.00 174.94 172.36 2k8q s ILE 35 N -2.06 3.27 0.12 8.37 1.09 -1.26 -0.70 121.20 130.04 2k8q s ILE 35 Ca 0.13 -0.59 -0.02 0.00 -1.10 0.00 0.00 60.65 59.07 2k8q s ILE 35 Cb -0.06 -2.38 0.03 0.00 -1.06 0.00 0.00 42.46 39.00 2k8q s ILE 35 CO 0.05 0.53 0.14 1.67 -0.10 0.00 0.00 174.94 177.23 2k8q n GLN 36 N 3.32 -0.58 -0.29 2.79 0.00 0.11 -4.65 117.38 118.09 2k8q n GLN 36 Ca -0.18 -0.22 0.16 0.00 -0.00 0.00 0.00 57.00 56.76 2k8q n GLN 36 Cb 0.53 -0.17 0.42 0.00 0.00 0.00 0.00 30.24 31.02 2k8q n GLN 36 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2k8q h GLU 37 N 0.00 0.56 0.00 3.69 4.11 -2.00 -3.39 114.58 117.55 2k8q h GLU 37 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2k8q h GLU 37 Cb 0.14 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k8q h GLU 37 CO 0.03 0.37 -0.08 0.27 0.07 0.00 0.00 179.01 179.67 2k8q n ASN 38 N -4.60 -0.00 -4.80 3.06 6.94 -1.26 -4.07 115.26 110.52 2k8q n ASN 38 Ca 0.21 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.48 2k8q n ASN 38 Cb 0.62 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 38.17 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 1.29 -0.05 -3.83 0.23 -1.26 -2.50 119.30 111.17 2k8q s MET 39 Ca 0.00 0.28 0.04 0.00 -1.03 0.00 0.00 55.69 54.98 2k8q s MET 39 Cb 0.00 -1.86 -0.02 0.00 -1.53 0.00 0.00 34.83 31.42 2k8q s MET 39 CO 0.00 -2.09 -0.18 0.42 -2.03 0.00 0.00 175.02 171.14 2k8q s ILE 40 N -3.31 2.74 -0.24 3.16 1.01 0.16 0.08 121.20 124.80 2k8q s ILE 40 Ca 0.63 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 2k8q s ILE 40 Cb -0.14 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 2k8q s ILE 40 CO 0.53 0.58 0.03 -0.63 0.00 0.00 0.00 174.94 175.45 2k8q s ILE 41 N -0.53 4.03 -0.51 2.92 -1.09 0.13 -1.60 121.20 124.54 2k8q s ILE 41 Ca 0.07 -0.27 -0.16 0.00 -2.23 0.00 0.00 60.65 58.07 2k8q s ILE 41 Cb -0.11 -2.87 0.11 0.00 -1.58 0.00 0.00 42.46 38.01 2k8q s ILE 41 CO 0.01 0.37 0.46 0.12 -1.23 0.00 0.00 174.94 174.67 2k8q s PHE 42 N 1.51 3.25 -0.28 3.97 5.36 -0.11 -2.59 117.98 129.09 2k8q s PHE 42 Ca 0.06 -1.17 0.22 0.00 -0.96 0.00 0.00 56.93 55.08 2k8q s PHE 42 Cb -0.15 -3.57 -0.27 0.00 -0.34 0.00 0.00 43.02 38.69 2k8q s PHE 42 CO 0.02 -0.94 0.64 1.58 -1.46 0.00 0.00 175.22 175.05 2k8q n HIS 43 N 5.23 0.07 -1.03 10.12 -0.00 -1.26 -1.60 115.22 126.74 2k8q n HIS 43 Ca -0.13 0.02 -0.34 0.00 0.46 0.00 0.00 57.72 57.72 2k8q n HIS 43 Cb 0.41 -0.42 0.10 0.00 -0.12 0.00 0.00 29.99 29.96 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 -2.11 0.47 -1.39 0.27 0.00 -1.26 -4.73 117.00 108.26 2k8q n LEU 44 Ca -0.02 0.46 0.17 0.00 0.00 0.00 0.00 56.01 56.63 2k8q n LEU 44 Cb 0.51 -1.22 -0.08 0.00 0.00 0.00 0.00 43.42 42.63 2k8q n LEU 44 CO 0.45 -3.31 -0.51 -0.24 0.00 0.00 0.00 177.39 173.77 2k8q n SER 45 N -0.89 -8.02 0.00 1.96 2.88 -1.26 -4.17 113.62 104.12 2k8q n SER 45 Ca 0.09 1.16 0.07 0.00 -1.33 0.00 0.00 58.87 58.86 2k8q n SER 45 Cb 0.52 -4.61 0.39 0.00 -0.75 0.00 0.00 64.21 59.75 2k8q n SER 45 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2k8q n PRO 46 N -4.25 0.25 -4.47 -1.46 -0.04 -1.26 -4.62 135.00 119.14 2k8q n PRO 46 Ca -0.06 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 2k8q n PRO 46 Cb 0.65 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.48 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 -2.48 2.96 -0.13 0.54 2.02 -1.26 -5.10 117.35 113.89 2k8q s TYR 47 Ca 0.15 -0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 2k8q s TYR 47 Cb 0.10 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 2k8q s TYR 47 CO 0.22 -0.13 0.43 -0.47 -1.57 0.00 0.00 175.55 174.02 2k8q s TYR 48 N 0.45 3.50 0.05 2.71 6.14 -1.26 -4.66 117.35 124.29 2k8q s TYR 48 Ca -0.05 0.81 0.06 0.00 0.64 0.00 0.00 57.07 58.52 2k8q s TYR 48 Cb -0.15 -2.49 -0.03 0.00 0.42 0.00 0.00 41.96 39.71 2k8q s TYR 48 CO 0.03 0.19 -0.16 -1.17 0.64 0.00 0.00 175.55 175.08 2k8q s LEU 49 N 0.59 2.21 -0.08 6.97 2.96 -0.63 -3.63 118.68 127.06 2k8q s LEU 49 Ca 0.23 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 2k8q s LEU 49 Cb -0.14 -0.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.87 2k8q s LEU 49 CO 0.08 0.03 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.34 2k8q s ARG 50 N -1.37 2.54 -0.23 1.98 6.06 -1.26 -0.94 118.95 125.73 2k8q s ARG 50 Ca 0.02 -0.77 0.02 0.00 -2.50 0.00 0.00 55.73 52.51 2k8q s ARG 50 Cb -0.09 -2.01 0.05 0.00 0.06 0.00 0.00 34.95 32.96 2k8q s ARG 50 CO 0.02 0.20 -0.14 -0.51 -2.50 0.00 0.00 175.30 172.37 2k8q s LEU 51 N 0.26 3.01 -0.40 -0.88 1.43 -0.63 -4.16 118.68 117.32 2k8q s LEU 51 Ca -0.13 -1.14 -0.07 0.00 -1.03 0.00 0.00 54.13 51.76 2k8q s LEU 51 Cb -0.16 -1.53 0.08 0.00 0.03 0.00 0.00 46.19 44.61 2k8q s LEU 51 CO 0.06 -0.13 0.21 -0.60 0.23 0.00 0.00 176.35 176.12 2k8q s ARG 52 N 1.17 2.49 0.26 1.70 6.06 -1.22 -0.66 118.95 128.74 2k8q s ARG 52 Ca -0.04 -1.47 -0.01 0.00 -2.50 0.00 0.00 55.73 51.71 2k8q s ARG 52 Cb -0.18 -3.65 -0.04 0.00 0.06 0.00 0.00 34.95 31.14 2k8q s ARG 52 CO -0.08 -0.91 0.46 -0.06 -2.50 0.00 0.00 175.30 172.22 2k8q s PHE 53 N 1.36 3.48 -1.32 5.12 0.08 -1.26 -4.48 117.98 120.96 2k8q s PHE 53 Ca 0.03 0.38 0.15 0.00 0.12 0.00 0.00 56.93 57.60 2k8q s PHE 53 Cb -0.22 -1.89 0.71 0.00 -0.57 0.00 0.00 43.02 41.05 2k8q s PHE 53 CO 0.01 0.28 1.42 -0.35 -0.10 0.00 0.00 175.22 176.48 2k8q n PRO 54 N -1.03 0.16 -2.44 0.24 -0.04 -1.26 -4.76 135.00 125.86 2k8q n PRO 54 Ca -0.04 0.17 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2k8q n PRO 54 Cb 0.55 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.34 -0.67 -4.02 0.54 8.25 -1.26 -5.14 115.22 111.58 2k8q n HIS 55 Ca 0.06 -0.76 -0.29 0.00 -0.26 0.00 0.00 57.72 56.47 2k8q n HIS 55 Cb 0.13 -0.13 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.67 2.16 0.49 -0.41 -1.05 -1.26 -4.58 118.70 111.38 2k8q s GLU 56 Ca 0.06 -0.50 0.09 0.00 -0.15 0.00 0.00 54.97 54.47 2k8q s GLU 56 Cb -0.01 -2.01 0.04 0.00 -0.44 0.00 0.00 34.13 31.72 2k8q s GLU 56 CO 0.04 -0.23 0.64 -0.51 0.95 0.00 0.00 175.26 176.15 2k8q s LEU 57 N 1.50 3.38 0.02 1.83 1.43 -1.04 -3.69 118.68 122.11 2k8q s LEU 57 Ca 0.04 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2k8q s LEU 57 Cb -0.13 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 2k8q s LEU 57 CO -0.10 -1.01 -0.07 -0.51 0.23 0.00 0.00 176.35 174.89 2k8q s ILE 58 N -2.50 0.54 -0.44 -0.59 2.07 -0.91 -4.25 121.20 115.11 2k8q s ILE 58 Ca 0.57 -0.66 -0.14 0.00 -1.41 0.00 0.00 60.65 59.01 2k8q s ILE 58 Cb -0.08 -0.53 0.06 0.00 0.13 0.00 0.00 42.46 42.05 2k8q s ILE 58 CO 0.35 -0.10 0.34 -0.62 -1.91 0.00 0.00 174.94 173.00 2k8q s ASP 59 N -0.83 6.02 0.00 4.50 2.15 -1.26 -3.80 116.67 123.45 2k8q s ASP 59 Ca -0.03 -1.26 0.00 0.00 0.43 0.00 0.00 52.55 51.69 2k8q s ASP 59 Cb -0.06 -2.13 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 2k8q s ASP 59 CO 0.00 -0.57 0.00 -0.67 -0.17 0.00 0.00 175.17 173.76 2k8q n ASP 60 N 5.13 1.78 0.01 -0.34 -0.08 -1.26 -5.00 116.55 116.78 2k8q n ASP 60 Ca -0.12 -0.71 -0.02 0.00 -1.51 0.00 0.00 54.79 52.44 2k8q n ASP 60 Cb 0.44 0.00 0.24 0.00 2.34 0.00 0.00 41.12 44.15 2k8q n ASP 60 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2k8q h GLU 61 N 0.00 0.51 -0.70 -0.67 4.39 -2.03 -2.73 114.58 113.34 2k8q h GLU 61 Ca 0.00 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2k8q h GLU 61 Cb 0.00 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 2k8q h GLU 61 CO 0.00 0.63 0.34 0.07 -1.16 0.00 0.00 179.01 178.89 2k8q h ARG 62 N 0.47 0.99 -6.43 2.33 -0.00 -1.98 -3.43 114.38 106.33 2k8q h ARG 62 Ca 0.09 -0.13 -0.62 0.00 -0.00 0.00 0.00 59.98 59.31 2k8q h ARG 62 Cb 0.51 -0.19 0.07 0.00 -0.00 0.00 0.00 29.97 30.36 2k8q h ARG 62 CO 0.03 0.76 0.55 -1.13 -0.00 0.00 0.00 179.97 180.18 2k8q n SER 63 N -4.34 2.26 -3.59 0.08 3.41 -1.03 -4.93 113.62 105.49 2k8q n SER 63 Ca 0.07 1.12 0.01 0.00 -0.26 0.00 0.00 58.87 59.81 2k8q n SER 63 Cb 0.13 -1.32 -0.01 0.00 -0.26 0.00 0.00 64.21 62.75 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 0.33 0.00 0.01 6.66 -1.32 -1.01 -4.91 115.64 115.41 2k8q s THR 64 Ca 0.77 -0.04 0.02 0.00 -1.21 0.00 0.00 61.69 61.23 2k8q s THR 64 Cb -0.78 -1.64 -0.01 0.00 -1.51 0.00 0.00 72.50 68.55 2k8q s THR 64 CO 0.46 0.00 -0.08 0.00 -2.21 0.00 0.00 174.62 172.79 2k8q s ALA 65 N -2.11 0.63 0.06 11.08 0.00 -1.26 -0.89 121.76 129.28 2k8q s ALA 65 Ca 0.14 -0.45 0.08 0.00 0.00 0.00 0.00 51.96 51.73 2k8q s ALA 65 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2k8q s ALA 65 CO -0.05 0.12 -0.23 -0.65 0.00 0.00 0.00 175.76 174.94 2k8q s GLN 66 N -0.56 1.49 -0.14 0.00 -1.52 0.01 -4.98 119.66 113.96 2k8q s GLN 66 Ca -0.00 -1.06 -0.22 0.00 -1.95 0.00 0.00 55.36 52.13 2k8q s GLN 66 Cb -0.05 -1.68 -0.03 0.00 -0.22 0.00 0.00 33.01 31.03 2k8q s GLN 66 CO 0.00 0.42 0.66 -0.47 -0.25 0.00 0.00 175.29 175.65 2k8q s TYR 67 N -0.87 3.47 -0.30 0.91 5.04 -1.26 -1.54 117.35 122.80 2k8q s TYR 67 Ca 0.09 1.08 -0.11 0.00 -2.44 0.00 0.00 57.07 55.69 2k8q s TYR 67 Cb -0.09 -2.79 -0.03 0.00 0.35 0.00 0.00 41.96 39.39 2k8q s TYR 67 CO 0.03 -0.04 0.18 -0.51 -1.34 0.00 0.00 175.55 173.86 2k8q s ASP 68 N 0.97 5.83 0.07 4.32 1.11 0.10 -4.95 116.67 124.13 2k8q s ASP 68 Ca 0.33 -0.22 0.16 0.00 0.18 0.00 0.00 52.55 53.00 2k8q s ASP 68 Cb -0.16 -2.08 -0.12 0.00 1.07 0.00 0.00 42.92 41.62 2k8q s ASP 68 CO 0.13 -0.12 0.87 0.28 1.18 0.00 0.00 175.17 177.52 2k8q h SER 69 N 8.38 0.00 -0.47 0.27 0.02 -1.93 0.98 113.55 120.79 2k8q h SER 69 Ca -0.34 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.71 2k8q h SER 69 Cb 1.17 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.69 2k8q h SER 69 CO 0.59 0.59 0.33 0.07 -1.14 0.00 0.00 176.83 177.27 2k8q h LYS 70 N 0.00 0.21 0.00 3.45 5.09 -1.95 -2.96 116.57 120.42 2k8q h LYS 70 Ca -0.15 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.57 2k8q h LYS 70 Cb 1.59 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.87 2k8q h LYS 70 CO 0.05 0.14 0.00 -3.47 -2.09 0.00 0.00 179.45 174.08 2k8q n ASP 71 N -4.45 0.59 -2.55 7.07 2.03 -1.25 -5.00 116.55 112.97 2k8q n ASP 71 Ca 0.07 -1.14 -0.21 0.00 0.52 0.00 0.00 54.79 54.03 2k8q n ASP 71 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.07 -2.47 -3.90 -0.67 1.02 0.18 -4.88 120.64 109.84 2k8q n GLU 72 Ca 0.00 0.99 -0.24 0.00 -0.02 0.00 0.00 57.16 57.89 2k8q n GLU 72 Cb 0.22 -5.71 -0.04 0.00 -0.02 0.00 0.00 31.44 25.89 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 -2.61 1.99 -0.21 0.00 -1.09 -0.48 0.01 121.20 118.81 2k8q s ILE 74 Ca 0.41 -1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 57.78 2k8q s ILE 74 Cb 0.00 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 39.16 2k8q s ILE 74 CO 0.23 0.55 -0.02 0.54 -1.23 0.00 0.00 174.94 175.01 2k8q s ASN 75 N 0.15 4.55 -0.15 3.58 2.20 -0.59 -0.75 114.94 123.92 2k8q s ASN 75 Ca -0.12 -0.30 0.01 0.00 -0.94 0.00 0.00 52.86 51.50 2k8q s ASN 75 Cb -0.16 -1.78 0.00 0.00 -2.00 0.00 0.00 41.25 37.31 2k8q s ASN 75 CO 0.06 0.02 -0.17 -0.69 -2.94 0.00 0.00 177.10 173.38 2k8q s VAL 76 N 1.26 2.51 -0.05 3.54 1.01 0.11 -0.81 120.40 127.96 2k8q s VAL 76 Ca 0.03 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2k8q s VAL 76 Cb -0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2k8q s VAL 76 CO -0.00 0.52 -0.08 -1.59 0.00 0.00 0.00 175.10 173.95 2k8q s LYS 77 N 0.82 2.65 -0.08 2.72 0.00 -0.07 -0.42 119.74 125.36 2k8q s LYS 77 Ca -0.06 -0.62 -0.03 0.00 0.00 0.00 0.00 55.97 55.26 2k8q s LYS 77 Cb -0.15 -2.53 0.04 0.00 0.00 0.00 0.00 37.83 35.19 2k8q s LYS 77 CO -0.01 0.64 0.17 0.54 0.00 0.00 0.00 175.35 176.70 2k8q s VAL 78 N -0.83 -0.05 0.44 1.79 0.11 -0.96 -2.39 120.40 118.51 2k8q s VAL 78 Ca 0.13 0.17 -0.23 0.00 -2.93 0.00 0.00 61.98 59.12 2k8q s VAL 78 Cb -0.11 -0.28 -0.08 0.00 -1.53 0.00 0.00 36.38 34.39 2k8q s VAL 78 CO 0.02 0.07 1.13 0.00 -3.33 0.00 0.00 175.10 173.00 2k8q s ALA 79 N 1.20 3.00 0.28 1.54 0.00 -1.25 -1.33 121.76 125.20 2k8q s ALA 79 Ca -0.09 0.86 0.06 0.00 0.00 0.00 0.00 51.96 52.79 2k8q s ALA 79 Cb -0.11 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2k8q s ALA 79 CO -0.07 -0.53 0.32 -1.59 0.00 0.00 0.00 175.76 173.89 2k8q s LYS 80 N -2.65 3.10 0.06 0.00 -2.85 -1.26 -2.14 119.74 114.00 2k8q s LYS 80 Ca 0.62 -0.99 -0.17 0.00 -1.00 0.00 0.00 55.97 54.44 2k8q s LYS 80 Cb -0.26 -2.71 -0.17 0.00 -2.06 0.00 0.00 37.83 32.63 2k8q s LYS 80 CO 0.32 0.30 1.26 -0.07 0.10 0.00 0.00 175.35 177.27 2k8q h LEU 81 N 1.24 0.67 -8.17 2.77 3.38 -1.89 -3.43 115.31 109.88 2k8q h LEU 81 Ca -0.49 -0.62 -0.67 0.00 0.09 0.00 0.00 57.88 56.20 2k8q h LEU 81 Cb 1.24 -0.20 -0.33 0.00 0.09 0.00 0.00 40.66 41.47 2k8q h LEU 81 CO 0.59 1.18 -0.81 0.20 0.09 0.00 0.00 178.44 179.69 2k8q s ASN 82 N -6.71 3.56 0.89 -0.43 0.01 -1.26 -5.11 114.94 105.89 2k8q s ASN 82 Ca -0.12 -0.59 -0.11 0.00 -0.71 0.00 0.00 52.86 51.33 2k8q s ASN 82 Cb 0.06 -1.57 0.13 0.00 0.41 0.00 0.00 41.25 40.28 2k8q s ASN 82 CO 0.84 -0.01 1.11 -0.75 -1.51 0.00 0.00 177.10 176.77 2k8q s LYS 83 N 1.35 1.24 -1.47 -0.60 2.20 -1.26 -2.95 119.74 118.26 2k8q s LYS 83 Ca 0.05 1.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 2k8q s LYS 83 Cb -0.14 -1.77 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 2k8q s LYS 83 CO -0.09 -2.38 0.00 0.09 -0.36 0.00 0.00 175.35 172.60 2k8q n ASN 84 N -4.04 -5.41 -4.69 1.43 5.03 -0.97 -4.95 115.26 101.66 2k8q n ASN 84 Ca 0.09 0.34 -0.38 0.00 0.87 0.00 0.00 54.58 55.51 2k8q n ASN 84 Cb 0.53 -4.13 -0.07 0.00 -1.02 0.00 0.00 39.78 35.09 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 -3.12 4.24 0.57 3.52 2.12 -1.15 -4.96 118.70 119.92 2k8q s GLU 85 Ca 0.00 0.30 0.08 0.00 0.36 0.00 0.00 54.97 55.70 2k8q s GLU 85 Cb 0.00 -3.49 0.07 0.00 0.26 0.00 0.00 34.13 30.97 2k8q s GLU 85 CO 0.00 0.04 0.61 1.52 -0.54 0.00 0.00 175.26 176.90 2k8q s TYR 86 N 1.03 1.40 0.05 5.30 1.13 -1.26 -4.67 117.35 120.33 2k8q s TYR 86 Ca 0.22 -0.81 0.04 0.00 -1.41 0.00 0.00 57.07 55.11 2k8q s TYR 86 Cb -0.15 -2.04 -0.03 0.00 -1.10 0.00 0.00 41.96 38.64 2k8q s TYR 86 CO 0.08 -0.87 -0.13 -0.06 -2.51 0.00 0.00 175.55 172.07 2k8q s PHE 87 N -2.75 1.08 -0.08 -3.49 0.40 -1.26 -5.01 117.98 106.88 2k8q s PHE 87 Ca 0.48 -0.43 0.11 0.00 -0.60 0.00 0.00 56.93 56.49 2k8q s PHE 87 Cb -0.04 -0.62 0.17 0.00 0.51 0.00 0.00 43.02 43.04 2k8q s PHE 87 CO 0.30 0.02 1.06 -1.91 0.70 0.00 0.00 175.22 175.39 2k8q n GLU 88 N 1.53 1.51 -0.00 0.44 2.13 -1.26 -4.62 120.64 120.36 2k8q n GLU 88 Ca -0.20 -2.02 0.01 0.00 0.66 0.00 0.00 57.16 55.60 2k8q n GLU 88 Cb 0.54 -1.21 -0.01 0.00 0.27 0.00 0.00 31.44 31.03 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2k8q n ASP 89 N -0.97 2.21 0.09 4.31 9.92 -1.26 -4.57 116.55 126.27 2k8q n ASP 89 Ca 0.09 -0.29 0.09 0.00 -0.53 0.00 0.00 54.79 54.16 2k8q n ASP 89 Cb 0.54 1.05 0.40 0.00 -0.64 0.00 0.00 41.12 42.47 2k8q n ASP 89 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2k8q n LEU 90 N -1.30 0.39 0.17 0.64 4.77 -1.26 -1.66 117.00 118.74 2k8q n LEU 90 Ca 0.00 0.62 0.06 0.00 -0.03 0.00 0.00 56.01 56.66 2k8q n LEU 90 Cb 0.05 -0.60 0.12 0.00 -2.33 0.00 0.00 43.42 40.66 2k8q n LEU 90 CO 0.05 -0.55 0.60 0.44 -1.33 0.00 0.00 177.39 176.59 2k8q h ASP 91 N 0.00 0.00 -3.58 -1.43 3.32 -1.90 -3.42 116.42 109.40 2k8q h ASP 91 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 2k8q h ASP 91 Cb 0.21 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.50 2k8q h ASP 91 CO 0.00 0.35 -0.53 -0.76 -1.72 0.00 0.00 179.24 176.58 2k8q s LEU 92 N -6.45 4.71 0.00 1.55 2.01 -0.66 -4.74 118.68 115.10 2k8q s LEU 92 Ca 0.04 -1.18 0.14 0.00 0.01 0.00 0.00 54.13 53.14 2k8q s LEU 92 Cb 0.07 -1.96 0.67 0.00 0.01 0.00 0.00 46.19 44.98 2k8q s LEU 92 CO 0.71 -0.41 1.43 -0.81 1.01 0.00 0.00 176.35 178.29 2k8q n PRO 93 N 4.92 0.09 -0.06 1.29 -0.04 -1.26 -2.44 135.00 137.50 2k8q n PRO 93 Ca -0.11 0.21 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 2k8q n PRO 93 Cb 0.45 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.41 1.37 0.26 0.52 -2.24 -1.26 -3.83 114.28 107.69 2k8q n THR 94 Ca 0.05 -0.80 0.13 0.00 -2.27 0.00 0.00 64.05 61.15 2k8q n THR 94 Cb 0.14 -0.65 0.69 0.00 -2.10 0.00 0.00 70.33 68.41 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 0.07 -0.78 6.56 -1.79 -1.66 116.57 118.97 2k8q h LYS 95 Ca -0.40 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.04 2k8q h LYS 95 Cb 2.05 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.71 2k8q h LYS 95 CO 0.05 0.13 -0.75 -0.07 -2.06 0.00 0.00 179.45 176.74 2k8q h LEU 96 N 0.00 0.22 -1.85 2.94 3.38 -1.72 -3.32 115.31 114.95 2k8q h LEU 96 Ca -0.00 -0.88 -0.03 0.00 0.09 0.00 0.00 57.88 57.07 2k8q h LEU 96 Cb 0.41 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2k8q h LEU 96 CO 0.02 1.33 -0.13 -0.07 0.09 0.00 0.00 178.44 179.68 2k8q h LEU 97 N -0.66 0.00 -8.74 1.67 4.07 -1.63 -3.23 115.31 106.79 2k8q h LEU 97 Ca -0.17 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.24 2k8q h LEU 97 Cb 1.40 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.10 2k8q h LEU 97 CO 0.02 0.13 1.18 0.00 -1.08 0.00 0.00 178.44 178.69 2k8q s ALA 98 N -4.54 2.82 0.26 1.53 0.00 -0.63 -4.86 121.76 116.34 2k8q s ALA 98 Ca -0.04 -0.18 0.10 0.00 0.00 0.00 0.00 51.96 51.84 2k8q s ALA 98 Cb 0.15 -4.04 0.30 0.00 0.00 0.00 0.00 23.12 19.53 2k8q s ALA 98 CO 0.64 -2.78 1.58 0.00 0.00 0.00 0.00 175.76 175.21 2k8q h ARG 99 N 12.07 0.01 -6.37 0.00 -0.00 -1.88 -3.44 114.38 114.77 2k8q h ARG 99 Ca -0.29 -0.01 -0.54 0.00 -0.50 0.00 0.00 59.98 58.64 2k8q h ARG 99 Cb 1.13 0.00 0.01 0.00 0.00 0.00 0.00 29.97 31.11 2k8q h ARG 99 CO 1.10 0.66 1.08 -1.14 0.00 0.00 0.00 179.97 181.67 2k8q s GLN 100 N -3.54 4.18 -0.05 0.04 0.74 -1.26 -4.98 119.66 114.79 2k8q s GLN 100 Ca -0.01 2.34 -0.25 0.00 0.05 0.00 0.00 55.36 57.49 2k8q s GLN 100 Cb 0.12 -3.85 0.05 0.00 1.10 0.00 0.00 33.01 30.44 2k8q s GLN 100 CO 0.77 -0.82 0.55 0.20 -0.55 0.00 0.00 175.29 175.44 2k8q s GLY 101 N 3.15 -0.43 -0.41 2.59 0.00 -1.26 -5.04 107.32 105.92 2k8q s GLY 101 Ca 0.77 1.03 0.06 0.00 0.00 0.00 0.00 44.72 46.57 2k8q s GLY 101 CO 0.33 0.73 1.86 2.09 0.00 0.00 0.00 173.10 178.11 2k8q n ASP 102 N 1.19 3.83 0.11 1.64 5.68 -1.26 -4.38 116.55 123.37 2k8q n ASP 102 Ca -0.19 -3.55 0.01 0.00 -0.50 0.00 0.00 54.79 50.56 2k8q n ASP 102 Cb 0.57 -0.80 -0.01 0.00 -1.14 0.00 0.00 41.12 39.74 2k8q n ASP 102 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2k8q h LEU 103 N 1.31 0.00 -9.03 -2.12 3.38 -1.99 -3.45 115.31 103.41 2k8q h LEU 103 Ca 0.53 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.89 2k8q h LEU 103 Cb 2.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.42 2k8q h LEU 103 CO 0.97 0.55 1.30 0.00 0.09 0.00 0.00 178.44 181.35 2k8q n ALA 104 N -2.27 1.25 0.00 1.53 0.00 -1.26 -4.31 120.51 115.45 2k8q n ALA 104 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2k8q n ALA 104 Cb 0.77 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2k8q n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k8q n GLY 105 N 5.30 0.27 3.58 0.00 0.00 -1.26 -5.08 105.19 107.99 2k8q n GLY 105 Ca 0.29 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 2k8q n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8q s ALA 106 N 0.00 2.63 -1.19 4.61 0.00 -1.26 -4.82 121.76 121.72 2k8q s ALA 106 Ca 0.00 -0.38 0.18 0.00 0.00 0.00 0.00 51.96 51.75 2k8q s ALA 106 Cb 0.00 -4.13 0.69 0.00 0.00 0.00 0.00 23.12 19.68 2k8q s ALA 106 CO 0.00 -3.13 1.59 -3.47 0.00 0.00 0.00 175.76 170.75 2k8q n ASP 107 N 10.75 4.57 -4.39 0.00 -0.08 -1.26 -4.92 116.55 121.21 2k8q n ASP 107 Ca 0.18 -2.41 -0.28 0.00 -1.51 0.00 0.00 54.79 50.77 2k8q n ASP 107 Cb 0.49 -0.57 -0.12 0.00 2.34 0.00 0.00 41.12 43.26 2k8q n ASP 107 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k8q s ALA 108 N -1.82 2.38 -0.06 -1.67 0.00 -1.26 -5.14 121.76 114.19 2k8q s ALA 108 Ca 0.49 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 2k8q s ALA 108 Cb 0.31 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.11 2k8q s ALA 108 CO 0.24 0.48 0.14 -0.48 0.00 0.00 0.00 175.76 176.14 2k8q s LEU 109 N -2.29 1.27 -0.20 0.00 0.05 -1.26 -5.13 118.68 111.12 2k8q s LEU 109 Ca 0.16 0.29 -0.04 0.00 0.05 0.00 0.00 54.13 54.59 2k8q s LEU 109 Cb -0.09 0.45 0.07 0.00 -2.05 0.00 0.00 46.19 44.56 2k8q s LEU 109 CO 0.07 -0.07 0.07 0.42 -0.55 0.00 0.00 176.35 176.29 2k8q s THR 110 N 0.37 0.22 1.07 5.48 -4.23 -1.26 -5.14 115.64 112.15 2k8q s THR 110 Ca -0.02 -0.46 -0.13 0.00 -1.18 0.00 0.00 61.69 59.89 2k8q s THR 110 Cb -0.04 -0.87 0.22 0.00 1.34 0.00 0.00 72.50 73.16 2k8q s THR 110 CO -0.02 -0.32 1.08 -1.83 -0.54 0.00 0.00 174.62 172.99 2k8q s GLU 111 N 1.99 -0.12 0.19 3.99 -1.05 -1.26 -5.08 118.70 117.36 2k8q s GLU 111 Ca 0.02 0.48 0.06 0.00 -0.15 0.00 0.00 54.97 55.38 2k8q s GLU 111 Cb -0.17 -1.68 -0.05 0.00 -0.44 0.00 0.00 34.13 31.80 2k8q s GLU 111 CO -0.13 -3.10 -0.09 0.54 0.95 0.00 0.00 175.26 173.43 2k8q s ASN 112 N -3.32 2.15 -0.21 0.83 4.22 -1.26 -5.16 114.94 112.19 2k8q s ASN 112 Ca 0.67 -1.07 -0.21 0.00 -2.14 0.00 0.00 52.86 50.10 2k8q s ASN 112 Cb -0.19 -0.06 0.06 0.00 1.28 0.00 0.00 41.25 42.33 2k8q s ASN 112 CO 0.59 -0.31 0.60 -0.89 -2.04 0.00 0.00 177.10 175.04 2k8q s THR 113 N -3.20 0.00 0.21 0.54 2.01 -1.26 -5.16 115.64 108.78 2k8q s THR 113 Ca 0.22 -0.01 -0.13 0.00 0.31 0.00 0.00 61.69 62.08 2k8q s THR 113 Cb 0.02 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.62 2k8q s THR 113 CO 0.05 -0.01 0.59 1.51 -0.69 0.00 0.00 174.62 176.08 2k8q s ASP 114 N 0.20 6.77 0.29 3.53 -4.77 -1.26 -5.09 116.67 116.34 2k8q s ASP 114 Ca -0.01 1.09 0.03 0.00 -3.30 0.00 0.00 52.55 50.36 2k8q s ASP 114 Cb -0.04 -2.29 -0.04 0.00 -1.09 0.00 0.00 42.92 39.46 2k8q s ASP 114 CO 0.01 -0.01 0.17 0.00 0.70 0.00 0.00 175.17 176.04 2k8q s ALA 115 N -1.67 1.82 -0.06 2.11 0.00 -1.26 -5.13 121.76 117.57 2k8q s ALA 115 Ca 0.44 -1.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 2k8q s ALA 115 Cb -0.13 1.22 -0.03 0.00 0.00 0.00 0.00 23.12 24.18 2k8q s ALA 115 CO 0.20 -0.54 1.13 0.21 0.00 0.00 0.00 175.76 176.76 2k8q s LYS 116 N -3.84 4.39 -0.40 0.00 2.47 -1.26 -4.98 119.74 116.11 2k8q s LYS 116 Ca 0.37 1.58 -0.29 0.00 -1.56 0.00 0.00 55.97 56.07 2k8q s LYS 116 Cb 0.05 -3.54 0.02 0.00 -1.46 0.00 0.00 37.83 32.90 2k8q s LYS 116 CO 0.18 -0.38 1.22 0.15 0.16 0.00 0.00 175.35 176.67 2k8q s LYS 117 N 2.05 3.78 0.30 4.03 -0.14 -1.26 -5.01 119.74 123.50 2k8q s LYS 117 Ca 0.53 0.86 0.11 0.00 -1.36 0.00 0.00 55.97 56.11 2k8q s LYS 117 Cb -0.23 -3.90 -0.06 0.00 -1.68 0.00 0.00 37.83 31.97 2k8q s LYS 117 CO 0.21 -1.30 -0.15 -0.08 -0.76 0.00 0.00 175.35 173.27 2k8q s THR 118 N 4.53 2.34 -0.58 2.17 -1.32 -1.26 -5.05 115.64 116.47 2k8q s THR 118 Ca 0.52 -2.31 -0.27 0.00 -1.21 0.00 0.00 61.69 58.42 2k8q s THR 118 Cb -0.11 -2.44 -0.10 0.00 -1.51 0.00 0.00 72.50 68.34 2k8q s THR 118 CO 0.28 -0.32 2.47 1.67 -2.21 0.00 0.00 174.62 176.50 2k8q n GLN 119 N -0.69 0.86 -3.12 7.08 7.27 -1.26 -4.81 117.38 122.72 2k8q n GLN 119 Ca -0.05 -0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.81 2k8q n GLN 119 Cb 0.62 -3.09 -0.05 0.00 2.41 0.00 0.00 30.24 30.12 2k8q n GLN 119 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2k8q n LYS 120 N 8.91 0.65 -2.22 3.69 0.00 -1.26 -5.12 118.16 122.80 2k8q n LYS 120 Ca 0.42 -2.89 -0.41 0.00 0.00 0.00 0.00 58.31 55.42 2k8q n LYS 120 Cb 0.45 -1.32 -0.03 0.00 0.00 0.00 0.00 35.03 34.13 2k8q n LYS 120 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k8q s PRO 121 N -0.60 4.38 -0.40 1.64 0.04 -1.26 -5.01 135.00 133.79 2k8q s PRO 121 Ca 0.34 2.04 -0.11 0.00 0.04 0.00 0.00 61.00 63.31 2k8q s PRO 121 Cb 0.16 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.53 2k8q s PRO 121 CO -0.15 -0.28 0.24 -0.51 0.04 0.00 0.00 177.00 176.35 2k8q s LEU 122 N 0.13 4.95 -0.03 -3.56 2.01 -1.26 -5.07 118.68 115.85 2k8q s LEU 122 Ca 0.58 -1.16 0.07 0.00 0.01 0.00 0.00 54.13 53.62 2k8q s LEU 122 Cb -0.36 -2.04 -0.02 0.00 0.01 0.00 0.00 46.19 43.78 2k8q s LEU 122 CO 0.36 -0.46 -0.23 -0.63 1.01 0.00 0.00 176.35 176.41 2k8q s ILE 123 N 1.53 2.29 0.14 -0.59 1.01 -1.26 -5.12 121.20 119.21 2k8q s ILE 123 Ca 0.02 -1.01 -0.25 0.00 0.00 0.00 0.00 60.65 59.41 2k8q s ILE 123 Cb -0.21 -1.82 0.07 0.00 0.01 0.00 0.00 42.46 40.51 2k8q s ILE 123 CO 0.06 0.58 0.99 0.00 0.00 0.00 0.00 174.94 176.56 2k8q s GLN 124 N -0.56 1.15 -0.28 2.79 0.00 -1.26 -5.14 119.66 116.36 2k8q s GLN 124 Ca 0.08 -0.64 -0.13 0.00 -0.00 0.00 0.00 55.36 54.67 2k8q s GLN 124 Cb -0.11 0.39 -0.04 0.00 0.00 0.00 0.00 33.01 33.25 2k8q s GLN 124 CO 0.00 -0.53 0.27 -1.21 0.00 0.00 0.00 175.29 173.82 2k8q s GLU 125 N -3.17 3.95 0.08 9.60 2.02 -1.26 -5.07 118.70 124.86 2k8q s GLU 125 Ca 0.13 -0.18 -0.29 0.00 0.02 0.00 0.00 54.97 54.65 2k8q s GLU 125 Cb -0.01 -3.67 -0.05 0.00 0.10 0.00 0.00 34.13 30.50 2k8q s GLU 125 CO 0.02 -0.24 0.92 0.08 0.02 0.00 0.00 175.26 176.06 2k8q s VAL 126 N 1.89 4.61 0.19 2.63 1.01 -1.26 -5.06 120.40 124.41 2k8q s VAL 126 Ca 0.10 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.08 2k8q s VAL 126 Cb -0.16 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 2k8q s VAL 126 CO 0.11 0.31 -0.05 -0.70 0.00 0.00 0.00 175.10 174.77 2k8q s GLU 127 N 0.13 1.18 -0.01 2.72 2.12 -1.26 -5.16 118.70 118.42 2k8q s GLU 127 Ca 0.46 -1.56 0.01 0.00 0.36 0.00 0.00 54.97 54.24 2k8q s GLU 127 Cb -0.22 -0.57 0.01 0.00 0.26 0.00 0.00 34.13 33.60 2k8q s GLU 127 CO 0.28 -0.02 -0.02 -0.08 -0.54 0.00 0.00 175.26 174.88 2k8q s THR 128 N -3.41 0.22 -0.04 -1.70 -1.32 -1.26 -5.05 115.64 103.07 2k8q s THR 128 Ca 0.23 -0.05 -0.23 0.00 -1.21 0.00 0.00 61.69 60.43 2k8q s THR 128 Cb 0.04 -0.24 -0.25 0.00 -1.51 0.00 0.00 72.50 70.55 2k8q s THR 128 CO 0.04 0.10 1.01 -0.78 -2.21 0.00 0.00 174.62 172.78 2k8q h ASP 129 N 6.55 0.31 -4.53 8.08 1.82 -2.05 -3.50 116.42 123.09 2k8q h ASP 129 Ca -0.33 -0.81 0.00 0.00 -0.39 0.00 0.00 57.03 55.50 2k8q h ASP 129 Cb 1.17 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2k8q h ASP 129 CO 0.49 1.08 0.00 0.61 -1.61 0.00 0.00 179.24 179.81 2k8q n GLY 130 N 1.17 3.62 3.75 -0.78 0.00 -1.26 -5.07 105.19 106.61 2k8q n GLY 130 Ca -0.10 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.87 2k8q n GLY 130 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k8q n VAL 131 N -1.11 2.86 -4.45 1.61 0.31 -1.26 -5.02 118.33 111.26 2k8q n VAL 131 Ca 0.00 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.53 2k8q n VAL 131 Cb 0.00 -1.76 -0.06 0.00 -0.91 0.00 0.00 33.84 31.11 2k8q n VAL 131 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2k8q s SER 132 N -0.53 4.28 0.38 4.52 0.15 -1.26 -5.16 113.70 116.07 2k8q s SER 132 Ca 0.62 -1.46 0.04 0.00 0.70 0.00 0.00 55.95 55.85 2k8q s SER 132 Cb -0.46 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 2k8q s SER 132 CO 0.57 -0.85 0.11 0.54 1.20 0.00 0.00 173.24 174.81 2k8q s ASN 133 N -3.98 2.58 0.00 5.45 2.20 -1.26 -4.94 114.94 115.00 2k8q s ASN 133 Ca 0.19 -1.60 0.00 0.00 -0.94 0.00 0.00 52.86 50.52 2k8q s ASN 133 Cb 0.01 0.37 0.00 0.00 -2.00 0.00 0.00 41.25 39.63 2k8q s ASN 133 CO 0.11 -0.86 0.50 -0.46 -2.94 0.00 0.00 177.10 173.45