#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8q s ILE 2 N 0.00 1.52 0.00 -0.61 1.01 0.92 -4.98 121.20 119.06 2k8q s ILE 2 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2k8q s ILE 2 Cb 0.00 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 41.07 2k8q s ILE 2 CO 0.00 0.45 0.00 1.07 0.00 0.00 0.00 174.94 176.46 2k8q n THR 3 N 4.34 0.00 -0.03 2.92 5.66 -1.26 -4.18 114.28 121.73 2k8q n THR 3 Ca -0.18 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 2k8q n THR 3 Cb 0.51 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.20 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 0.00 0.12 -2.27 1.09 0.13 -2.00 -3.47 132.00 125.60 2k8q h PRO 4 Ca 0.00 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 2k8q h PRO 4 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2k8q h PRO 4 CO 0.00 0.57 0.04 1.03 -0.23 0.00 0.00 178.00 179.42 2k8q s ARG 5 N -4.26 0.87 -0.28 0.86 3.00 -1.26 -5.08 118.95 112.79 2k8q s ARG 5 Ca -0.15 0.41 -0.17 0.00 0.00 0.00 0.00 55.73 55.81 2k8q s ARG 5 Cb 0.03 0.41 0.09 0.00 0.00 0.00 0.00 34.95 35.48 2k8q s ARG 5 CO 0.70 -0.21 0.75 -0.59 0.00 0.00 0.00 175.30 175.95 2k8q s PHE 6 N -0.65 -0.93 -0.01 -0.53 -0.71 -1.26 -1.09 117.98 112.80 2k8q s PHE 6 Ca -0.07 1.91 0.06 0.00 -1.04 0.00 0.00 56.93 57.79 2k8q s PHE 6 Cb -0.02 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.30 2k8q s PHE 6 CO 0.06 -0.46 -0.20 -1.12 -1.34 0.00 0.00 175.22 172.16 2k8q s SER 7 N 1.38 2.37 -0.01 1.98 0.01 0.12 -5.00 113.70 114.54 2k8q s SER 7 Ca -0.08 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 56.84 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 -0.16 0.24 -0.09 -0.63 0.41 0.00 0.00 173.24 173.01 2k8q s ILE 8 N -0.50 3.49 0.05 1.44 1.01 -1.26 -0.05 121.20 125.38 2k8q s ILE 8 Ca 0.08 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2k8q s ILE 8 Cb -0.08 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 2k8q s ILE 8 CO -0.01 0.44 -0.17 -0.89 0.00 0.00 0.00 174.94 174.32 2k8q s THR 9 N -0.93 1.37 0.01 2.92 2.01 0.87 -4.89 115.64 117.01 2k8q s THR 9 Ca 0.15 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 61.03 2k8q s THR 9 Cb -0.11 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 2k8q s THR 9 CO 0.05 0.05 -0.08 0.00 -0.69 0.00 0.00 174.62 173.95 2k8q s GLN 10 N -1.29 2.50 0.41 4.92 0.00 -1.26 -0.83 119.66 124.12 2k8q s GLN 10 Ca 0.04 -0.75 0.04 0.00 -0.00 0.00 0.00 55.36 54.69 2k8q s GLN 10 Cb -0.09 -2.47 -0.02 0.00 0.00 0.00 0.00 33.01 30.43 2k8q s GLN 10 CO 0.02 0.60 0.12 -0.51 0.00 0.00 0.00 175.29 175.51 2k8q s ASP 11 N -1.41 2.89 -0.12 12.60 1.11 -0.75 -4.94 116.67 126.06 2k8q s ASP 11 Ca 0.17 -1.66 0.10 0.00 0.18 0.00 0.00 52.55 51.34 2k8q s ASP 11 Cb -0.11 0.48 0.51 0.00 1.07 0.00 0.00 42.92 44.87 2k8q s ASP 11 CO 0.07 -0.91 1.31 -1.84 1.18 0.00 0.00 175.17 174.99 2k8q n GLU 12 N -0.93 3.23 0.00 8.23 0.28 -1.26 -4.24 120.64 125.94 2k8q n GLU 12 Ca -0.07 -1.97 0.00 0.00 -0.16 0.00 0.00 57.16 54.97 2k8q n GLU 12 Cb 0.65 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.65 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 0.50 0.00 -2.90 3.44 0.28 -1.26 -2.16 120.64 118.54 2k8q n GLU 13 Ca 0.17 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.11 2k8q n GLU 13 Cb 0.77 -0.40 0.01 0.00 1.43 0.00 0.00 31.44 33.25 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 -1.60 -1.75 -4.28 -1.84 -1.74 -1.26 -4.17 117.46 100.82 2k8q n PHE 14 Ca 0.00 -1.30 -0.35 0.00 -0.56 0.00 0.00 57.45 55.25 2k8q n PHE 14 Cb 0.00 0.57 -0.09 0.00 1.52 0.00 0.00 39.48 41.48 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 4.46 -0.32 1.97 -1.09 -0.24 -1.80 121.20 121.71 2k8q s ILE 15 Ca 0.12 -0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.30 2k8q s ILE 15 Cb -0.03 -2.92 0.09 0.00 -1.58 0.00 0.00 42.46 38.02 2k8q s ILE 15 CO 0.09 0.54 0.03 0.12 -1.23 0.00 0.00 174.94 174.50 2k8q s PHE 16 N -0.97 3.25 -0.24 3.97 5.36 -0.01 -2.57 117.98 126.77 2k8q s PHE 16 Ca 0.16 -2.62 -0.11 0.00 -0.96 0.00 0.00 56.93 53.40 2k8q s PHE 16 Cb -0.11 -2.51 -0.05 0.00 -0.34 0.00 0.00 43.02 40.01 2k8q s PHE 16 CO 0.05 -0.92 0.20 -1.17 -1.46 0.00 0.00 175.22 171.92 2k8q s LEU 17 N 1.09 4.11 -0.09 6.12 2.96 -0.26 -0.09 118.68 132.52 2k8q s LEU 17 Ca 0.07 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 2k8q s LEU 17 Cb -0.19 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2k8q s LEU 17 CO -0.11 0.03 -0.06 -1.59 -1.32 0.00 0.00 176.35 173.30 2k8q s LYS 18 N 1.21 2.93 -0.07 1.98 -2.85 0.93 -0.11 119.74 123.76 2k8q s LYS 18 Ca 0.09 -0.55 0.03 0.00 -1.00 0.00 0.00 55.97 54.55 2k8q s LYS 18 Cb -0.14 -2.65 0.01 0.00 -2.06 0.00 0.00 37.83 32.99 2k8q s LYS 18 CO 0.06 0.58 -0.17 0.42 0.10 0.00 0.00 175.35 176.34 2k8q s ILE 19 N -0.57 1.50 -0.14 3.79 1.09 0.24 -0.70 121.20 126.40 2k8q s ILE 19 Ca 0.09 -0.70 -0.14 0.00 -1.10 0.00 0.00 60.65 58.79 2k8q s ILE 19 Cb -0.12 -1.32 -0.05 0.00 -1.06 0.00 0.00 42.46 39.92 2k8q s ILE 19 CO 0.02 0.43 0.32 -0.36 -0.10 0.00 0.00 174.94 175.25 2k8q s PHE 20 N 0.45 3.49 0.04 3.97 0.08 -0.25 -0.23 117.98 125.52 2k8q s PHE 20 Ca -0.14 0.66 -0.15 0.00 0.12 0.00 0.00 56.93 57.42 2k8q s PHE 20 Cb -0.16 -2.35 0.02 0.00 -0.57 0.00 0.00 43.02 39.97 2k8q s PHE 20 CO 0.05 0.28 0.33 0.96 -0.10 0.00 0.00 175.22 176.74 2k8q s ILE 21 N 0.31 0.07 0.63 0.64 -4.36 -1.22 -4.04 121.20 113.23 2k8q s ILE 21 Ca 0.18 -0.61 -0.11 0.00 -0.26 0.00 0.00 60.65 59.86 2k8q s ILE 21 Cb -0.13 -0.90 0.15 0.00 1.25 0.00 0.00 42.46 42.82 2k8q s ILE 21 CO 0.05 -0.33 0.78 -1.20 0.24 0.00 0.00 174.94 174.48 2k8q n SER 22 N 0.65 -0.29 -1.97 4.36 7.64 -1.26 -4.45 113.62 118.29 2k8q n SER 22 Ca -0.19 -1.21 -0.21 0.00 1.01 0.00 0.00 58.87 58.27 2k8q n SER 22 Cb 0.59 -0.62 0.10 0.00 -1.01 0.00 0.00 64.21 63.27 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 -3.65 5.12 -2.96 6.43 0.23 -1.26 -4.95 115.26 114.22 2k8q n ASN 23 Ca 0.10 -3.26 -0.14 0.00 -0.53 0.00 0.00 54.58 50.75 2k8q n ASN 23 Cb 0.35 -0.87 0.11 0.00 -2.08 0.00 0.00 39.78 37.29 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 -0.47 0.00 -1.49 1.53 -0.00 -1.26 -4.82 119.36 112.84 2k8q n ILE 24 Ca 0.44 -0.33 -0.43 0.00 -0.00 0.00 0.00 62.75 62.42 2k8q n ILE 24 Cb 1.01 -1.40 -0.08 0.00 -0.00 0.00 0.00 39.64 39.17 2k8q n ILE 24 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2k8q n ARG 25 N -2.76 0.71 -3.76 6.28 3.00 -1.26 -4.87 116.66 114.00 2k8q n ARG 25 Ca 0.08 0.09 -0.35 0.00 -0.01 0.00 0.00 57.85 57.66 2k8q n ARG 25 Cb 0.28 -2.49 -0.10 0.00 0.00 0.00 0.00 32.46 30.15 2k8q n ARG 25 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 2k8q s PHE 26 N 9.51 3.38 0.71 -1.55 5.36 -1.26 -4.87 117.98 129.26 2k8q s PHE 26 Ca 1.14 -2.79 -0.12 0.00 -0.96 0.00 0.00 56.93 54.20 2k8q s PHE 26 Cb -0.76 -3.14 0.03 0.00 -0.34 0.00 0.00 43.02 38.81 2k8q s PHE 26 CO 0.41 -0.83 1.09 -1.12 -1.46 0.00 0.00 175.22 173.32 2k8q s SER 27 N 0.54 4.89 -0.15 6.13 0.01 -1.26 -4.98 113.70 118.88 2k8q s SER 27 Ca 0.17 1.86 0.17 0.00 1.31 0.00 0.00 55.95 59.46 2k8q s SER 27 Cb -0.21 -2.53 0.35 0.00 0.21 0.00 0.00 66.02 63.84 2k8q s SER 27 CO -0.03 -1.77 1.21 0.00 0.41 0.00 0.00 173.24 173.06 2k8q n ALA 28 N -3.00 2.61 -0.03 1.44 0.00 -1.26 -4.52 120.51 115.76 2k8q n ALA 28 Ca 0.09 -2.68 -0.01 0.00 0.00 0.00 0.00 53.44 50.85 2k8q n ALA 28 Cb 0.53 -0.44 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.25 0.35 0.79 0.00 3.14 -1.26 -4.58 118.33 115.52 2k8q n VAL 29 Ca 0.18 -0.30 0.11 0.00 -2.96 0.00 0.00 64.34 61.37 2k8q n VAL 29 Cb 0.70 -0.35 0.01 0.00 -1.06 0.00 0.00 33.84 33.13 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 2.28 -1.13 3.66 7.55 0.00 -1.26 -4.91 105.19 111.38 2k8q n GLY 30 Ca -0.09 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.42 4.35 -0.31 0.99 1.43 -1.26 -4.55 118.68 115.92 2k8q s LEU 31 Ca 0.06 2.38 -0.13 0.00 -1.03 0.00 0.00 54.13 55.42 2k8q s LEU 31 Cb 0.16 -3.53 0.19 0.00 0.03 0.00 0.00 46.19 43.04 2k8q s LEU 31 CO 0.81 -0.98 1.14 -1.61 0.23 0.00 0.00 176.35 175.94 2k8q s GLU 32 N 4.21 0.04 0.04 1.70 0.41 -1.26 -4.98 118.70 118.86 2k8q s GLU 32 Ca 0.79 -0.01 -0.28 0.00 -0.41 0.00 0.00 54.97 55.06 2k8q s GLU 32 Cb -0.37 0.00 -0.05 0.00 -1.78 0.00 0.00 34.13 31.94 2k8q s GLU 32 CO 0.34 -0.05 0.87 0.42 -0.49 0.00 0.00 175.26 176.35 2k8q s ILE 33 N 1.93 4.74 -0.02 -1.63 1.01 -1.26 -4.38 121.20 121.59 2k8q s ILE 33 Ca 0.15 1.85 0.06 0.00 0.00 0.00 0.00 60.65 62.71 2k8q s ILE 33 Cb 0.05 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 2k8q s ILE 33 CO -0.16 0.28 -0.20 -0.51 0.00 0.00 0.00 174.94 174.35 2k8q s ILE 34 N 0.35 1.61 -0.19 2.92 -1.16 -1.04 -5.00 121.20 118.69 2k8q s ILE 34 Ca 0.44 -0.86 -0.08 0.00 -0.51 0.00 0.00 60.65 59.64 2k8q s ILE 34 Cb -0.21 -1.35 -0.04 0.00 0.61 0.00 0.00 42.46 41.47 2k8q s ILE 34 CO 0.26 0.46 0.09 -0.63 -2.81 0.00 0.00 174.94 172.30 2k8q s ILE 35 N -0.39 5.00 0.17 2.00 1.09 -1.26 -0.83 121.20 126.98 2k8q s ILE 35 Ca 0.06 0.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.62 2k8q s ILE 35 Cb -0.09 -3.26 0.04 0.00 -1.06 0.00 0.00 42.46 38.09 2k8q s ILE 35 CO -0.00 0.46 0.18 0.00 -0.10 0.00 0.00 174.94 175.48 2k8q n GLN 36 N 3.51 -0.73 -0.23 2.79 1.13 0.13 -4.73 117.38 119.26 2k8q n GLN 36 Ca -0.16 -0.29 0.18 0.00 -1.94 0.00 0.00 57.00 54.78 2k8q n GLN 36 Cb 0.52 -0.23 0.50 0.00 0.11 0.00 0.00 30.24 31.14 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 0.42 0.00 -1.09 4.11 -1.99 -3.39 114.58 112.64 2k8q h GLU 37 Ca -0.06 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.34 2k8q h GLU 37 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2k8q h GLU 37 CO 0.04 0.28 -0.03 0.27 0.07 0.00 0.00 179.01 179.64 2k8q n ASN 38 N -4.51 -0.02 -4.81 3.06 6.94 -1.26 -4.16 115.26 110.50 2k8q n ASN 38 Ca 0.18 0.07 -0.29 0.00 -0.02 0.00 0.00 54.58 54.52 2k8q n ASN 38 Cb 0.64 0.06 0.12 0.00 -2.36 0.00 0.00 39.78 38.23 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 1.53 -0.07 -3.83 0.23 -1.26 -2.33 119.30 111.56 2k8q s MET 39 Ca 0.00 0.36 0.04 0.00 -1.03 0.00 0.00 55.69 55.06 2k8q s MET 39 Cb 0.00 -1.88 -0.02 0.00 -1.53 0.00 0.00 34.83 31.40 2k8q s MET 39 CO 0.00 -1.95 -0.19 0.42 -2.03 0.00 0.00 175.02 171.28 2k8q s ILE 40 N -3.29 2.63 -0.24 3.16 1.01 -0.51 0.22 121.20 124.19 2k8q s ILE 40 Ca 0.63 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 2k8q s ILE 40 Cb -0.14 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 2k8q s ILE 40 CO 0.53 0.57 0.04 -0.63 0.00 0.00 0.00 174.94 175.45 2k8q s ILE 41 N -0.29 4.06 -0.51 2.92 -1.09 -0.01 -1.56 121.20 124.72 2k8q s ILE 41 Ca 0.01 -0.26 -0.18 0.00 -2.23 0.00 0.00 60.65 57.99 2k8q s ILE 41 Cb -0.13 -2.88 0.07 0.00 -1.58 0.00 0.00 42.46 37.94 2k8q s ILE 41 CO 0.03 0.37 0.59 0.12 -1.23 0.00 0.00 174.94 174.82 2k8q s PHE 42 N 1.52 3.08 -0.13 3.97 5.36 0.75 -2.51 117.98 130.02 2k8q s PHE 42 Ca 0.06 -0.69 0.19 0.00 -0.96 0.00 0.00 56.93 55.53 2k8q s PHE 42 Cb -0.15 -3.55 -0.28 0.00 -0.34 0.00 0.00 43.02 38.70 2k8q s PHE 42 CO 0.02 -1.03 0.45 1.58 -1.46 0.00 0.00 175.22 174.78 2k8q n HIS 43 N 6.00 0.00 -1.20 10.12 -0.00 -1.26 -1.33 115.22 127.55 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 0.44 -0.37 0.09 0.00 -0.12 0.00 0.00 29.99 30.04 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 -2.05 2.28 -1.23 0.27 0.00 -1.26 -4.72 117.00 110.28 2k8q n LEU 44 Ca -0.03 0.58 0.15 0.00 0.00 0.00 0.00 56.01 56.72 2k8q n LEU 44 Cb 0.46 -1.33 -0.07 0.00 0.00 0.00 0.00 43.42 42.48 2k8q n LEU 44 CO 0.39 -2.55 -0.45 -1.54 0.00 0.00 0.00 177.39 173.24 2k8q n SER 45 N -1.47 -7.13 0.00 1.96 3.41 -1.26 -4.20 113.62 104.93 2k8q n SER 45 Ca 0.11 1.01 0.07 0.00 -0.26 0.00 0.00 58.87 59.80 2k8q n SER 45 Cb 0.50 -4.06 0.37 0.00 -0.26 0.00 0.00 64.21 60.76 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 -4.03 0.20 -4.37 4.33 -0.04 -1.26 -4.63 135.00 125.21 2k8q n PRO 46 Ca -0.05 0.15 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 2k8q n PRO 46 Cb 0.58 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.58 3.02 -0.10 0.54 2.02 -1.26 -5.10 117.35 113.89 2k8q s TYR 47 Ca 0.14 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.34 2k8q s TYR 47 Cb 0.10 -1.97 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 2k8q s TYR 47 CO 0.23 -0.07 0.39 -0.47 -1.57 0.00 0.00 175.55 174.05 2k8q s TYR 48 N 0.45 3.56 0.02 2.71 6.14 -1.26 -4.65 117.35 124.31 2k8q s TYR 48 Ca -0.04 0.81 0.05 0.00 0.64 0.00 0.00 57.07 58.54 2k8q s TYR 48 Cb -0.14 -2.40 -0.02 0.00 0.42 0.00 0.00 41.96 39.82 2k8q s TYR 48 CO 0.03 0.34 -0.15 -1.17 0.64 0.00 0.00 175.55 175.23 2k8q s LEU 49 N 0.07 2.10 -0.18 6.97 0.20 -0.44 -0.06 118.68 127.34 2k8q s LEU 49 Ca 0.22 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.68 2k8q s LEU 49 Cb -0.15 -0.72 0.03 0.00 -0.43 0.00 0.00 46.19 44.92 2k8q s LEU 49 CO 0.09 0.12 -0.16 -0.60 -0.29 0.00 0.00 176.35 175.51 2k8q s ARG 50 N -0.76 2.59 -0.21 1.98 6.06 -1.26 -0.18 118.95 127.17 2k8q s ARG 50 Ca 0.04 -0.78 -0.05 0.00 -2.50 0.00 0.00 55.73 52.44 2k8q s ARG 50 Cb -0.07 -2.42 -0.02 0.00 0.06 0.00 0.00 34.95 32.50 2k8q s ARG 50 CO 0.00 -0.27 0.01 -0.51 -2.50 0.00 0.00 175.30 172.03 2k8q s LEU 51 N 1.36 3.25 -0.32 -0.88 1.43 -0.60 -4.07 118.68 118.85 2k8q s LEU 51 Ca 0.03 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2k8q s LEU 51 Cb -0.14 -1.83 0.09 0.00 0.03 0.00 0.00 46.19 44.33 2k8q s LEU 51 CO -0.11 0.04 0.01 -0.60 0.23 0.00 0.00 176.35 175.92 2k8q s ARG 52 N 1.15 1.78 0.25 1.70 3.00 -0.52 -1.42 118.95 124.88 2k8q s ARG 52 Ca 0.03 -1.69 -0.01 0.00 -1.00 0.00 0.00 55.73 53.05 2k8q s ARG 52 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 34.95 31.63 2k8q s ARG 52 CO 0.01 -0.83 0.46 -0.06 0.00 0.00 0.00 175.30 174.88 2k8q s PHE 53 N 0.99 3.48 -1.27 5.12 0.08 -1.26 -4.35 117.98 120.77 2k8q s PHE 53 Ca 0.04 0.41 0.15 0.00 0.12 0.00 0.00 56.93 57.65 2k8q s PHE 53 Cb -0.20 -1.92 0.69 0.00 -0.57 0.00 0.00 43.02 41.03 2k8q s PHE 53 CO -0.07 0.29 1.43 -0.35 -0.10 0.00 0.00 175.22 176.42 2k8q n PRO 54 N -0.92 0.13 -2.24 0.24 -0.04 -1.26 -4.76 135.00 126.16 2k8q n PRO 54 Ca -0.04 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2k8q n PRO 54 Cb 0.54 -1.50 -0.00 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 -1.37 -0.86 -4.31 0.54 8.25 -1.26 -4.89 115.22 111.32 2k8q n HIS 55 Ca 0.06 -0.60 -0.29 0.00 -0.26 0.00 0.00 57.72 56.63 2k8q n HIS 55 Cb 0.14 -0.11 -0.17 0.00 1.12 0.00 0.00 29.99 30.98 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 -2.54 2.20 0.49 -0.41 1.03 -1.26 -4.61 118.70 113.60 2k8q s GLU 56 Ca 0.06 -0.54 0.08 0.00 0.03 0.00 0.00 54.97 54.60 2k8q s GLU 56 Cb -0.00 -1.93 0.03 0.00 -0.80 0.00 0.00 34.13 31.43 2k8q s GLU 56 CO 0.04 -0.12 0.59 -0.51 -1.33 0.00 0.00 175.26 173.92 2k8q s LEU 57 N 1.16 3.29 0.01 1.83 1.43 -0.99 -3.65 118.68 121.76 2k8q s LEU 57 Ca -0.03 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 52.34 2k8q s LEU 57 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2k8q s LEU 57 CO -0.04 -0.99 -0.05 -0.51 0.23 0.00 0.00 176.35 174.99 2k8q s ILE 58 N -2.54 0.33 -0.45 -0.59 2.07 -0.91 -4.24 121.20 114.88 2k8q s ILE 58 Ca 0.53 -0.53 -0.14 0.00 -1.41 0.00 0.00 60.65 59.10 2k8q s ILE 58 Cb -0.06 -0.35 0.07 0.00 0.13 0.00 0.00 42.46 42.24 2k8q s ILE 58 CO 0.32 -0.14 0.34 -0.62 -1.91 0.00 0.00 174.94 172.94 2k8q s ASP 59 N -0.72 5.99 0.00 4.50 2.15 -1.26 -3.69 116.67 123.64 2k8q s ASP 59 Ca -0.04 -1.32 0.00 0.00 0.43 0.00 0.00 52.55 51.62 2k8q s ASP 59 Cb -0.05 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2k8q s ASP 59 CO -0.00 -0.59 0.00 -0.67 -0.17 0.00 0.00 175.17 173.74 2k8q n ASP 60 N 5.12 1.58 0.20 -0.34 2.03 -1.26 -4.99 116.55 118.89 2k8q n ASP 60 Ca -0.12 -0.89 0.05 0.00 0.52 0.00 0.00 54.79 54.36 2k8q n ASP 60 Cb 0.44 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.27 2k8q n ASP 60 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k8q h GLU 61 N 0.00 0.00 -0.07 -0.67 4.11 -2.03 -2.60 114.58 113.32 2k8q h GLU 61 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 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 0.31 -0.52 0.07 0.07 0.00 0.00 179.01 178.94 2k8q h ARG 62 N 0.00 0.18 -6.71 1.06 -0.00 -1.99 -3.44 114.38 103.48 2k8q h ARG 62 Ca -0.00 -0.10 -0.52 0.00 -0.00 0.00 0.00 59.98 59.35 2k8q h ARG 62 Cb 0.61 0.01 0.07 0.00 -0.00 0.00 0.00 29.97 30.65 2k8q h ARG 62 CO 0.04 0.65 0.93 -1.54 -0.00 0.00 0.00 179.97 180.05 2k8q s SER 63 N -6.88 6.43 -0.20 0.08 1.04 -0.98 -4.90 113.70 108.28 2k8q s SER 63 Ca -0.04 2.84 -0.36 0.00 0.48 0.00 0.00 55.95 58.88 2k8q s SER 63 Cb 0.13 -2.61 0.15 0.00 0.10 0.00 0.00 66.02 63.78 2k8q s SER 63 CO 0.78 -0.91 1.36 0.28 0.98 0.00 0.00 173.24 175.73 2k8q s THR 64 N 0.64 0.00 0.02 2.02 -1.32 -1.00 -4.87 115.64 111.13 2k8q s THR 64 Ca 0.68 -0.02 0.06 0.00 -1.21 0.00 0.00 61.69 61.20 2k8q s THR 64 Cb -0.47 -1.33 -0.02 0.00 -1.51 0.00 0.00 72.50 69.17 2k8q s THR 64 CO 0.39 0.00 -0.19 0.00 -2.21 0.00 0.00 174.62 172.61 2k8q s ALA 65 N -2.13 1.59 -0.04 11.08 0.00 -1.26 -0.62 121.76 130.37 2k8q s ALA 65 Ca 0.12 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2k8q s ALA 65 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2k8q s ALA 65 CO -0.04 0.36 -0.22 -0.65 0.00 0.00 0.00 175.76 175.22 2k8q s GLN 66 N -0.85 2.14 -0.12 0.00 -1.52 0.33 -4.97 119.66 114.67 2k8q s GLN 66 Ca 0.07 -0.79 -0.23 0.00 -1.95 0.00 0.00 55.36 52.45 2k8q s GLN 66 Cb -0.08 -1.88 -0.03 0.00 -0.22 0.00 0.00 33.01 30.80 2k8q s GLN 66 CO 0.01 0.36 0.72 -0.47 -0.25 0.00 0.00 175.29 175.66 2k8q s TYR 67 N -0.19 3.49 -0.28 0.91 5.04 -1.26 -1.22 117.35 123.84 2k8q s TYR 67 Ca -0.01 1.18 -0.09 0.00 -2.44 0.00 0.00 57.07 55.71 2k8q s TYR 67 Cb -0.12 -2.85 -0.02 0.00 0.35 0.00 0.00 41.96 39.32 2k8q s TYR 67 CO 0.02 -0.05 0.12 -0.51 -1.34 0.00 0.00 175.55 173.79 2k8q s ASP 68 N 0.97 5.42 -0.03 4.32 1.11 0.46 -4.96 116.67 123.95 2k8q s ASP 68 Ca 0.36 -0.31 -0.05 0.00 0.18 0.00 0.00 52.55 52.73 2k8q s ASP 68 Cb -0.17 -1.98 -0.28 0.00 1.07 0.00 0.00 42.92 41.56 2k8q s ASP 68 CO 0.15 -0.10 0.71 0.77 1.18 0.00 0.00 175.17 177.88 2k8q h SER 69 N 8.30 0.43 -0.82 0.27 4.64 -1.93 0.26 113.55 124.70 2k8q h SER 69 Ca -0.35 -0.67 0.24 0.00 -0.47 0.00 0.00 61.79 60.53 2k8q h SER 69 Cb 1.16 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 63.08 2k8q h SER 69 CO 0.59 1.57 0.59 0.07 -0.87 0.00 0.00 176.83 178.78 2k8q h LYS 70 N 0.07 0.00 0.00 4.77 5.09 -1.95 -1.67 116.57 122.88 2k8q h LYS 70 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.44 2k8q h LYS 70 Cb 2.04 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.37 2k8q h LYS 70 CO 0.15 0.00 0.00 -3.47 -2.09 0.00 0.00 179.45 174.04 2k8q n ASP 71 N -4.29 0.59 -2.07 7.07 2.03 -1.25 -5.00 116.55 113.63 2k8q n ASP 71 Ca 0.17 -0.84 -0.19 0.00 0.52 0.00 0.00 54.79 54.44 2k8q n ASP 71 Cb 0.89 0.21 -0.04 0.00 -0.72 0.00 0.00 41.12 41.46 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 -0.21 -1.64 -3.79 -0.67 1.02 0.76 -4.84 120.64 111.27 2k8q n GLU 72 Ca 0.00 1.03 -0.22 0.00 -0.02 0.00 0.00 57.16 57.95 2k8q n GLU 72 Cb 0.04 -5.57 -0.04 0.00 -0.02 0.00 0.00 31.44 25.85 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 -2.42 2.61 -0.20 0.00 -1.09 0.67 -0.40 121.20 120.37 2k8q s ILE 74 Ca 0.43 -0.85 -0.05 0.00 -2.23 0.00 0.00 60.65 57.96 2k8q s ILE 74 Cb -0.03 -2.03 -0.02 0.00 -1.58 0.00 0.00 42.46 38.80 2k8q s ILE 74 CO 0.26 0.56 -0.01 0.20 -1.23 0.00 0.00 174.94 174.72 2k8q s ASN 75 N -0.02 4.75 -0.16 3.58 0.01 -0.36 -0.59 114.94 122.14 2k8q s ASN 75 Ca -0.05 -0.22 -0.01 0.00 -0.71 0.00 0.00 52.86 51.87 2k8q s ASN 75 Cb -0.15 -1.81 -0.00 0.00 0.41 0.00 0.00 41.25 39.70 2k8q s ASN 75 CO 0.05 0.06 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.88 2k8q s VAL 76 N 1.00 2.84 -0.07 1.60 1.01 0.84 -0.52 120.40 127.11 2k8q s VAL 76 Ca 0.01 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.30 2k8q s VAL 76 Cb -0.14 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2k8q s VAL 76 CO 0.01 0.50 -0.09 -0.75 0.00 0.00 0.00 175.10 174.77 2k8q s LYS 77 N 0.87 2.71 -0.16 2.72 2.47 0.21 -1.10 119.74 127.46 2k8q s LYS 77 Ca -0.04 -0.60 -0.08 0.00 -1.56 0.00 0.00 55.97 53.69 2k8q s LYS 77 Cb -0.15 -2.53 0.06 0.00 -1.46 0.00 0.00 37.83 33.75 2k8q s LYS 77 CO -0.00 0.63 0.39 0.54 0.16 0.00 0.00 175.35 177.06 2k8q s VAL 78 N -0.71 -0.10 0.52 4.02 0.11 -1.06 -2.37 120.40 120.81 2k8q s VAL 78 Ca 0.11 0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 59.09 2k8q s VAL 78 Cb -0.11 -0.58 -0.07 0.00 -1.53 0.00 0.00 36.38 34.09 2k8q s VAL 78 CO 0.01 0.05 1.04 0.00 -3.33 0.00 0.00 175.10 172.87 2k8q s ALA 79 N 1.53 2.85 0.44 1.54 0.00 -1.24 -1.08 121.76 125.80 2k8q s ALA 79 Ca -0.08 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.44 2k8q s ALA 79 Cb -0.09 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2k8q s ALA 79 CO -0.12 -0.46 0.49 0.15 0.00 0.00 0.00 175.76 175.82 2k8q s LYS 80 N -3.59 2.62 0.16 0.00 1.02 -1.26 -2.13 119.74 116.55 2k8q s LYS 80 Ca 0.65 -1.45 0.18 0.00 0.02 0.00 0.00 55.97 55.37 2k8q s LYS 80 Cb -0.15 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2k8q s LYS 80 CO 0.26 -0.30 1.05 -0.07 -0.92 0.00 0.00 175.35 175.37 2k8q h LEU 81 N 0.79 0.00 -7.70 3.17 3.38 -1.90 -3.44 115.31 109.61 2k8q h LEU 81 Ca -0.40 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.10 2k8q h LEU 81 Cb 1.28 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.67 2k8q h LEU 81 CO 0.51 0.38 -0.79 0.20 0.09 0.00 0.00 178.44 178.83 2k8q s ASN 82 N -5.83 1.69 0.72 -0.43 0.01 -1.26 -5.14 114.94 104.70 2k8q s ASN 82 Ca -0.00 -0.21 -0.11 0.00 -0.71 0.00 0.00 52.86 51.83 2k8q s ASN 82 Cb 0.08 -0.65 0.02 0.00 0.41 0.00 0.00 41.25 41.12 2k8q s ASN 82 CO 0.78 -0.10 1.08 -0.75 -1.51 0.00 0.00 177.10 176.60 2k8q s LYS 83 N 1.44 2.67 -1.34 -0.60 2.20 -1.26 -3.28 119.74 119.56 2k8q s LYS 83 Ca -0.02 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 2k8q s LYS 83 Cb -0.13 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 2k8q s LYS 83 CO -0.04 -1.32 0.00 0.09 -0.36 0.00 0.00 175.35 173.72 2k8q n ASN 84 N -3.16 -5.31 -4.91 1.43 5.03 -0.92 -4.97 115.26 102.45 2k8q n ASN 84 Ca 0.08 0.31 -0.30 0.00 0.87 0.00 0.00 54.58 55.54 2k8q n ASN 84 Cb 0.53 -3.93 -0.04 0.00 -1.02 0.00 0.00 39.78 35.32 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 -2.99 3.57 0.09 3.52 2.12 -1.21 -4.96 118.70 118.83 2k8q s GLU 85 Ca 0.00 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.14 2k8q s GLU 85 Cb 0.00 -2.87 -0.00 0.00 0.26 0.00 0.00 34.13 31.51 2k8q s GLU 85 CO 0.00 0.47 0.02 2.48 -0.54 0.00 0.00 175.26 177.69 2k8q n TYR 86 N -0.05 0.10 -4.20 5.30 4.11 -1.26 -4.62 117.16 116.54 2k8q n TYR 86 Ca -0.03 -0.50 -0.13 0.00 -0.00 0.00 0.00 57.90 57.25 2k8q n TYR 86 Cb 0.52 -0.02 -0.10 0.00 -0.00 0.00 0.00 39.34 39.73 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 -1.65 1.07 -0.06 -3.48 0.40 -1.26 -4.99 117.98 108.01 2k8q s PHE 87 Ca 0.03 -0.81 0.08 0.00 -0.60 0.00 0.00 56.93 55.63 2k8q s PHE 87 Cb 0.00 -0.58 0.13 0.00 0.51 0.00 0.00 43.02 43.08 2k8q s PHE 87 CO 0.02 -0.03 1.01 0.39 0.70 0.00 0.00 175.22 177.31 2k8q n GLU 88 N -0.01 0.98 0.00 0.44 1.02 -1.26 -4.73 120.64 117.08 2k8q n GLU 88 Ca -0.12 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.31 2k8q n GLU 88 Cb 0.60 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k8q n ASP 89 N -0.70 4.93 0.19 1.62 9.92 -1.26 -4.65 116.55 126.60 2k8q n ASP 89 Ca 0.07 0.00 0.18 0.00 -0.53 0.00 0.00 54.79 54.51 2k8q n ASP 89 Cb 0.59 0.50 0.82 0.00 -0.64 0.00 0.00 41.12 42.39 2k8q n ASP 89 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2k8q h LEU 90 N 0.00 0.00 -1.71 0.64 3.38 -1.94 0.17 115.31 115.85 2k8q h LEU 90 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2k8q h LEU 90 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2k8q h LEU 90 CO 0.00 0.00 -0.16 0.44 0.09 0.00 0.00 178.44 178.81 2k8q h ASP 91 N 0.00 0.00 -3.83 -0.43 5.19 -1.90 -3.42 116.42 112.03 2k8q h ASP 91 Ca 0.11 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.84 2k8q h ASP 91 Cb 0.72 0.00 -0.26 0.00 0.18 0.00 0.00 39.33 39.96 2k8q h ASP 91 CO -0.00 0.16 -0.79 -0.76 -3.12 0.00 0.00 179.24 174.73 2k8q s LEU 92 N -8.47 2.58 -0.00 1.55 2.01 0.59 -5.04 118.68 111.90 2k8q s LEU 92 Ca -0.04 -0.30 -0.24 0.00 0.01 0.00 0.00 54.13 53.55 2k8q s LEU 92 Cb 0.15 -1.53 -0.19 0.00 0.01 0.00 0.00 46.19 44.64 2k8q s LEU 92 CO 0.68 0.27 1.29 1.55 1.01 0.00 0.00 176.35 181.15 2k8q h PRO 93 N 5.90 0.10 -0.71 1.29 0.13 -1.81 -3.20 132.00 133.70 2k8q h PRO 93 Ca -0.37 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2k8q h PRO 93 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2k8q h PRO 93 CO 0.51 0.56 0.47 1.79 -0.23 0.00 0.00 178.00 181.10 2k8q h THR 94 N -0.35 1.04 -0.08 1.56 1.35 -1.96 -0.01 112.91 114.46 2k8q h THR 94 Ca 0.01 -0.26 0.02 0.00 -0.55 0.00 0.00 66.41 65.63 2k8q h THR 94 Cb 0.54 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2k8q h THR 94 CO 0.01 0.14 0.16 0.11 -0.25 0.00 0.00 175.52 175.69 2k8q h LYS 95 N 0.76 0.00 0.08 4.72 6.56 -1.82 0.25 116.57 127.11 2k8q h LYS 95 Ca 0.30 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.55 2k8q h LYS 95 Cb 0.22 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.85 2k8q h LYS 95 CO -0.10 0.00 -1.88 1.28 -2.06 0.00 0.00 179.45 176.69 2k8q n LEU 96 N -3.40 2.44 -0.13 2.94 4.77 -0.06 -4.28 117.00 119.29 2k8q n LEU 96 Ca -0.01 0.24 -0.06 0.00 -0.03 0.00 0.00 56.01 56.15 2k8q n LEU 96 Cb 0.25 -1.05 0.12 0.00 -2.33 0.00 0.00 43.42 40.40 2k8q n LEU 96 CO 0.22 0.70 0.84 -0.07 -1.33 0.00 0.00 177.39 177.75 2k8q h LEU 97 N -0.26 0.83 -0.89 2.23 -0.00 -0.89 -1.39 115.31 114.95 2k8q h LEU 97 Ca -0.43 -0.23 -0.38 0.00 -0.00 0.00 0.00 57.88 56.84 2k8q h LEU 97 Cb 1.82 -0.22 0.14 0.00 -0.00 0.00 0.00 40.66 42.39 2k8q h LEU 97 CO -0.03 0.92 -0.66 0.00 -0.00 0.00 0.00 178.44 178.67 2k8q n ALA 98 N -2.48 -1.29 -0.86 1.53 0.00 0.80 -4.92 120.51 113.29 2k8q n ALA 98 Ca 0.02 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 2k8q n ALA 98 Cb 0.33 -5.23 0.25 0.00 0.00 0.00 0.00 19.45 14.80 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 -6.23 -1.58 -0.05 0.00 1.81 -1.26 -5.00 118.95 106.64 2k8q s ARG 99 Ca 0.54 0.09 0.08 0.00 -1.72 0.00 0.00 55.73 54.72 2k8q s ARG 99 Cb -0.24 -1.54 -0.11 0.00 -0.45 0.00 0.00 34.95 32.61 2k8q s ARG 99 CO 0.70 -3.98 0.10 0.00 -0.68 0.00 0.00 175.30 171.45 2k8q n GLN 100 N -4.98 1.55 0.00 3.54 10.64 -1.26 -5.11 117.38 121.77 2k8q n GLN 100 Ca 0.12 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 2k8q n GLN 100 Cb 0.59 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.77 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 2.28 0.35 1.42 2.61 0.00 -1.26 -3.61 105.19 106.98 2k8q n GLY 101 Ca -0.08 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2k8q n GLY 101 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k8q n ASP 102 N -0.02 4.04 -2.36 1.61 8.00 -1.26 -4.92 116.55 121.64 2k8q n ASP 102 Ca 0.00 -3.25 -0.12 0.00 0.71 0.00 0.00 54.79 52.13 2k8q n ASP 102 Cb 0.00 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 40.44 2k8q n ASP 102 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k8q n LEU 103 N -0.46 -1.11 -3.60 0.64 7.99 -1.24 -4.92 117.00 114.30 2k8q n LEU 103 Ca 0.32 0.21 -0.27 0.00 -0.01 0.00 0.00 56.01 56.26 2k8q n LEU 103 Cb 1.13 -2.11 -0.16 0.00 -0.11 0.00 0.00 43.42 42.17 2k8q n LEU 103 CO 0.28 -0.16 -0.33 0.00 -1.51 0.00 0.00 177.39 175.66 2k8q s ALA 104 N -2.56 0.56 0.00 -1.18 0.00 -1.26 -5.10 121.76 112.21 2k8q s ALA 104 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.37 2k8q s ALA 104 Cb 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 23.12 21.96 2k8q s ALA 104 CO 0.00 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2k8q n GLY 105 N 5.24 4.45 3.57 0.00 0.00 -1.26 -5.06 105.19 112.13 2k8q n GLY 105 Ca -0.07 -0.92 -0.41 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 s ALA 106 N -1.69 2.77 0.03 4.61 0.00 -1.26 -4.98 121.76 121.24 2k8q s ALA 106 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.30 2k8q s ALA 106 Cb 0.00 -4.12 -0.02 0.00 0.00 0.00 0.00 23.12 18.98 2k8q s ALA 106 CO 0.00 -3.00 -0.08 0.16 0.00 0.00 0.00 175.76 172.84 2k8q s ASP 107 N 4.66 0.86 0.08 0.00 -4.77 -1.26 -5.16 116.67 111.08 2k8q s ASP 107 Ca 0.53 -0.46 -0.06 0.00 -3.30 0.00 0.00 52.55 49.26 2k8q s ASP 107 Cb -0.11 0.01 -0.01 0.00 -1.09 0.00 0.00 42.92 41.71 2k8q s ASP 107 CO 0.24 -0.14 0.13 0.00 0.70 0.00 0.00 175.17 176.11 2k8q s ALA 108 N -1.11 0.03 -0.00 2.11 0.00 -1.26 -5.17 121.76 116.36 2k8q s ALA 108 Ca -0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 2k8q s ALA 108 Cb -0.08 0.47 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 2k8q s ALA 108 CO 0.00 -0.48 0.02 -0.48 0.00 0.00 0.00 175.76 174.82 2k8q s LEU 109 N -2.89 1.94 -0.24 0.00 2.34 -1.26 -5.13 118.68 113.45 2k8q s LEU 109 Ca 0.07 -0.05 -0.04 0.00 0.06 0.00 0.00 54.13 54.17 2k8q s LEU 109 Cb 0.06 0.11 0.08 0.00 -0.56 0.00 0.00 46.19 45.88 2k8q s LEU 109 CO -0.09 -0.07 0.11 0.28 -1.06 0.00 0.00 176.35 175.52 2k8q s THR 110 N -0.27 -0.08 -0.12 5.48 -1.32 -1.26 -5.13 115.64 112.94 2k8q s THR 110 Ca -0.03 -0.49 -0.01 0.00 -1.21 0.00 0.00 61.69 59.95 2k8q s THR 110 Cb -0.02 -0.79 -0.03 0.00 -1.51 0.00 0.00 72.50 70.15 2k8q s THR 110 CO -0.00 -0.53 -0.07 -1.61 -2.21 0.00 0.00 174.62 170.20 2k8q s GLU 111 N 2.12 3.28 0.19 7.08 2.02 -1.26 -5.09 118.70 127.04 2k8q s GLU 111 Ca 0.06 -0.57 -0.12 0.00 0.02 0.00 0.00 54.97 54.36 2k8q s GLU 111 Cb -0.16 -2.74 -0.07 0.00 0.10 0.00 0.00 34.13 31.26 2k8q s GLU 111 CO -0.24 0.39 0.56 0.54 0.02 0.00 0.00 175.26 176.52 2k8q s ASN 112 N -0.06 6.73 0.55 -0.19 4.22 -1.26 -5.08 114.94 119.84 2k8q s ASN 112 Ca 0.00 1.01 -0.07 0.00 -2.14 0.00 0.00 52.86 51.66 2k8q s ASN 112 Cb -0.13 -2.26 -0.02 0.00 1.28 0.00 0.00 41.25 40.11 2k8q s ASN 112 CO 0.03 0.01 0.88 0.42 -2.04 0.00 0.00 177.10 176.39 2k8q s THR 113 N -1.65 4.45 0.33 0.54 -4.23 -1.26 -4.95 115.64 108.87 2k8q s THR 113 Ca 0.43 0.27 -0.24 0.00 -1.18 0.00 0.00 61.69 60.98 2k8q s THR 113 Cb -0.13 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.88 2k8q s THR 113 CO 0.20 -0.78 0.91 -0.62 -0.54 0.00 0.00 174.62 173.78 2k8q s ASP 114 N -4.19 7.19 -0.14 3.99 2.15 -1.26 -5.00 116.67 119.41 2k8q s ASP 114 Ca 0.51 1.72 -0.22 0.00 0.43 0.00 0.00 52.55 55.00 2k8q s ASP 114 Cb -0.11 -2.54 -0.19 0.00 -0.30 0.00 0.00 42.92 39.78 2k8q s ASP 114 CO 0.47 -0.12 0.52 0.00 -0.17 0.00 0.00 175.17 175.87 2k8q h ALA 115 N 2.91 0.03 -2.25 3.66 0.00 -2.05 -3.44 119.26 118.12 2k8q h ALA 115 Ca -0.47 -0.48 -0.55 0.00 0.00 0.00 0.00 54.91 53.41 2k8q h ALA 115 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k8q h ALA 115 CO 0.64 0.10 1.18 0.21 0.00 0.00 0.00 179.25 181.38 2k8q s LYS 116 N -2.10 4.04 0.14 0.00 2.47 -1.26 -4.99 119.74 118.03 2k8q s LYS 116 Ca -0.16 2.26 0.08 0.00 -1.56 0.00 0.00 55.97 56.59 2k8q s LYS 116 Cb -0.01 -4.09 -0.04 0.00 -1.46 0.00 0.00 37.83 32.23 2k8q s LYS 116 CO 0.53 -1.04 -0.18 0.21 0.16 0.00 0.00 175.35 175.03 2k8q s LYS 117 N 4.45 1.17 -0.08 4.03 2.47 -1.26 -5.15 119.74 125.38 2k8q s LYS 117 Ca 0.81 -1.30 0.05 0.00 -1.56 0.00 0.00 55.97 53.96 2k8q s LYS 117 Cb -0.36 -1.23 -0.00 0.00 -1.46 0.00 0.00 37.83 34.78 2k8q s LYS 117 CO 0.34 0.26 -0.22 0.99 0.16 0.00 0.00 175.35 176.87 2k8q s THR 118 N -1.86 1.89 -0.33 3.43 2.01 -1.26 -5.10 115.64 114.41 2k8q s THR 118 Ca 0.12 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.20 2k8q s THR 118 Cb -0.07 -1.63 0.09 0.00 0.01 0.00 0.00 72.50 70.91 2k8q s THR 118 CO 0.05 0.52 0.04 0.00 -0.69 0.00 0.00 174.62 174.55 2k8q s GLN 119 N 0.18 1.71 -0.47 4.92 0.00 -1.26 -5.00 119.66 119.74 2k8q s GLN 119 Ca -0.12 -1.76 0.07 0.00 -0.00 0.00 0.00 55.36 53.56 2k8q s GLN 119 Cb -0.16 -3.20 0.25 0.00 0.00 0.00 0.00 33.01 29.90 2k8q s GLN 119 CO 0.06 -0.88 0.59 1.17 0.00 0.00 0.00 175.29 176.23 2k8q n LYS 120 N 4.34 1.30 -0.69 9.60 3.00 -1.26 -5.12 118.16 129.33 2k8q n LYS 120 Ca -0.00 -3.70 -0.20 0.00 -0.00 0.00 0.00 58.31 54.41 2k8q n LYS 120 Cb 0.42 -1.55 0.17 0.00 0.00 0.00 0.00 35.03 34.06 2k8q n LYS 120 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2k8q n PRO 121 N 1.23 -2.44 -3.63 1.64 -0.04 -1.26 -5.10 135.00 125.41 2k8q n PRO 121 Ca 0.24 -1.16 -0.06 0.00 -0.04 0.00 0.00 63.50 62.48 2k8q n PRO 121 Cb 0.49 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.22 -0.28 1.53 0.05 -1.26 -5.14 118.68 113.36 2k8q s LEU 122 Ca 0.47 0.34 0.03 0.00 0.05 0.00 0.00 54.13 55.02 2k8q s LEU 122 Cb -0.05 1.47 0.07 0.00 -2.05 0.00 0.00 46.19 45.63 2k8q s LEU 122 CO 0.36 -0.13 -0.07 -0.63 -0.55 0.00 0.00 176.35 175.33 2k8q s ILE 123 N -0.45 2.14 0.67 1.48 1.01 -1.26 -5.11 121.20 119.67 2k8q s ILE 123 Ca 0.05 -1.77 -0.12 0.00 0.00 0.00 0.00 60.65 58.81 2k8q s ILE 123 Cb -0.03 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.11 2k8q s ILE 123 CO -0.07 -0.17 1.06 -1.58 0.00 0.00 0.00 174.94 174.18 2k8q s GLN 124 N 1.08 3.01 -0.04 2.79 2.00 -1.26 -5.08 119.66 122.17 2k8q s GLN 124 Ca -0.04 1.05 -0.07 0.00 -2.00 0.00 0.00 55.36 54.29 2k8q s GLN 124 Cb -0.20 -2.00 0.01 0.00 0.80 0.00 0.00 33.01 31.63 2k8q s GLN 124 CO -0.06 -1.05 0.18 -1.21 -0.50 0.00 0.00 175.29 172.65 2k8q s GLU 125 N -4.73 0.35 -0.23 1.67 2.02 -1.26 -5.16 118.70 111.36 2k8q s GLU 125 Ca 0.60 -0.02 -0.19 0.00 0.02 0.00 0.00 54.97 55.38 2k8q s GLU 125 Cb -0.15 0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.30 2k8q s GLU 125 CO 0.49 -0.07 0.59 0.54 0.02 0.00 0.00 175.26 176.84 2k8q s VAL 126 N -0.55 -0.00 1.19 2.63 0.11 -1.26 -5.17 120.40 117.35 2k8q s VAL 126 Ca -0.06 0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.82 2k8q s VAL 126 Cb -0.04 -0.83 0.22 0.00 -1.53 0.00 0.00 36.38 34.20 2k8q s VAL 126 CO 0.01 0.00 0.49 -1.84 -3.33 0.00 0.00 175.10 170.43 2k8q n GLU 127 N 3.12 -2.59 -3.98 1.54 0.00 -1.26 -5.05 120.64 112.41 2k8q n GLU 127 Ca -0.15 -0.75 -0.09 0.00 0.00 0.00 0.00 57.16 56.16 2k8q n GLU 127 Cb 0.56 -1.83 -0.08 0.00 0.00 0.00 0.00 31.44 30.09 2k8q n GLU 127 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2k8q s THR 128 N -2.23 0.08 0.32 3.84 -4.23 -1.26 -5.17 115.64 106.99 2k8q s THR 128 Ca 0.59 -1.46 -0.09 0.00 -1.18 0.00 0.00 61.69 59.55 2k8q s THR 128 Cb -0.15 -1.83 -0.06 0.00 1.34 0.00 0.00 72.50 71.79 2k8q s THR 128 CO 0.60 -0.36 0.64 -0.62 -0.54 0.00 0.00 174.62 174.34 2k8q s ASP 129 N -2.97 6.54 0.00 3.99 2.15 -1.26 -5.07 116.67 120.05 2k8q s ASP 129 Ca 0.17 0.95 0.00 0.00 0.43 0.00 0.00 52.55 54.10 2k8q s ASP 129 Cb 0.04 -2.24 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 2k8q s ASP 129 CO -0.01 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 2k8q n GLY 130 N -0.84 3.73 3.81 2.66 0.00 -1.26 -5.18 105.19 108.11 2k8q n GLY 130 Ca 0.01 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2k8q n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k8q s VAL 131 N -0.71 1.55 -0.03 1.61 -7.23 -1.26 -5.07 120.40 109.26 2k8q s VAL 131 Ca 0.00 -1.77 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2k8q s VAL 131 Cb 0.00 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.56 2k8q s VAL 131 CO 0.00 0.00 0.05 -1.54 -0.31 0.00 0.00 175.10 173.30 2k8q n SER 132 N -1.43 3.77 -4.70 4.85 3.41 -1.26 -5.04 113.62 113.22 2k8q n SER 132 Ca -0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.19 2k8q n SER 132 Cb 0.66 0.84 0.14 0.00 -0.26 0.00 0.00 64.21 65.58 2k8q n SER 132 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2k8q s ASN 133 N -3.27 3.42 0.00 4.04 2.47 -1.26 -5.41 114.94 114.93 2k8q s ASN 133 Ca -0.02 2.23 0.00 0.00 0.42 0.00 0.00 52.86 55.49 2k8q s ASN 133 Cb 0.02 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 2k8q s ASN 133 CO 0.21 -2.78 0.31 0.59 -3.72 0.00 0.00 177.10 171.71