#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 1.25 -3.46 -0.61 2.04 -1.95 -3.47 117.51 111.32 2k8q h ILE 2 Ca 0.00 -3.03 -0.57 0.00 1.00 0.00 0.00 64.86 62.26 2k8q h ILE 2 Cb 0.00 2.62 0.13 0.00 -0.74 0.00 0.00 36.82 38.83 2k8q h ILE 2 CO 0.00 0.71 0.34 1.07 0.00 0.00 0.00 178.15 180.28 2k8q n THR 3 N -3.19 2.85 -0.02 -0.27 5.66 -1.26 -4.94 114.28 113.11 2k8q n THR 3 Ca -0.09 -0.50 -0.13 0.00 -3.05 0.00 0.00 64.05 60.28 2k8q n THR 3 Cb 1.00 -1.39 -0.09 0.00 -1.55 0.00 0.00 70.33 68.30 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 1.59 0.09 -3.00 1.09 0.13 -1.91 -3.47 132.00 126.51 2k8q h PRO 4 Ca -0.47 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 2k8q h PRO 4 Cb 1.32 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.28 2k8q h PRO 4 CO 0.57 0.55 -0.11 1.03 -0.23 0.00 0.00 178.00 179.81 2k8q s ARG 5 N -4.27 0.91 -0.29 0.86 3.00 -1.26 -5.09 118.95 112.82 2k8q s ARG 5 Ca -0.15 -0.34 -0.23 0.00 0.00 0.00 0.00 55.73 55.01 2k8q s ARG 5 Cb 0.02 0.41 0.13 0.00 0.00 0.00 0.00 34.95 35.52 2k8q s ARG 5 CO 0.69 -0.31 1.07 -0.59 0.00 0.00 0.00 175.30 176.16 2k8q s PHE 6 N -2.37 -0.45 -0.02 -0.53 -0.12 -1.26 -1.21 117.98 112.02 2k8q s PHE 6 Ca -0.06 1.04 0.06 0.00 -0.05 0.00 0.00 56.93 57.92 2k8q s PHE 6 Cb -0.01 0.37 -0.01 0.00 -0.63 0.00 0.00 43.02 42.74 2k8q s PHE 6 CO -0.02 -0.22 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.61 2k8q s SER 7 N 0.43 2.44 -0.03 1.98 0.01 0.52 -4.97 113.70 114.08 2k8q s SER 7 Ca 0.01 -0.38 0.02 0.00 1.31 0.00 0.00 55.95 56.91 2k8q s SER 7 Cb -0.05 -0.37 -0.03 0.00 0.21 0.00 0.00 66.02 65.78 2k8q s SER 7 CO -0.09 0.24 -0.08 -0.63 0.41 0.00 0.00 173.24 173.09 2k8q s ILE 8 N -0.37 3.59 0.06 1.44 1.01 -1.26 0.33 121.20 126.00 2k8q s ILE 8 Ca 0.05 -0.66 0.06 0.00 0.00 0.00 0.00 60.65 60.10 2k8q s ILE 8 Cb -0.09 -2.51 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 2k8q s ILE 8 CO 0.00 0.49 -0.17 -0.89 0.00 0.00 0.00 174.94 174.38 2k8q s THR 9 N -0.90 1.32 0.01 2.92 2.01 0.21 -4.89 115.64 116.33 2k8q s THR 9 Ca 0.15 -1.20 0.05 0.00 0.31 0.00 0.00 61.69 61.00 2k8q s THR 9 Cb -0.11 -1.20 -0.03 0.00 0.01 0.00 0.00 72.50 71.17 2k8q s THR 9 CO 0.04 -0.02 -0.15 0.00 -0.69 0.00 0.00 174.62 173.81 2k8q s GLN 10 N -1.42 2.28 0.33 4.92 -2.07 -1.26 -1.28 119.66 121.17 2k8q s GLN 10 Ca 0.03 -0.85 0.03 0.00 -1.82 0.00 0.00 55.36 52.74 2k8q s GLN 10 Cb -0.09 -2.30 -0.05 0.00 -1.09 0.00 0.00 33.01 29.48 2k8q s GLN 10 CO 0.02 0.57 0.10 -0.51 -1.32 0.00 0.00 175.29 174.16 2k8q s ASP 11 N -1.27 2.13 -0.02 12.60 1.01 -0.72 -4.94 116.67 125.46 2k8q s ASP 11 Ca 0.14 -1.49 0.10 0.00 0.71 0.00 0.00 52.55 52.02 2k8q s ASP 11 Cb -0.11 0.20 0.33 0.00 1.01 0.00 0.00 42.92 44.36 2k8q s ASP 11 CO 0.05 -0.77 1.23 -1.84 0.21 0.00 0.00 175.17 174.05 2k8q n GLU 12 N -0.69 2.03 0.00 8.23 0.28 -1.26 -4.11 120.64 125.12 2k8q n GLU 12 Ca -0.02 -1.34 0.00 0.00 -0.16 0.00 0.00 57.16 55.64 2k8q n GLU 12 Cb 0.66 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 32.14 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 0.16 -3.31 3.44 0.28 -1.26 -2.43 120.64 118.02 2k8q n GLU 13 Ca 0.12 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2k8q n GLU 13 Cb 0.38 -0.63 0.02 0.00 1.43 0.00 0.00 31.44 32.64 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 -1.64 -1.95 -4.29 -1.84 -1.74 -1.26 -4.33 117.46 100.41 2k8q n PHE 14 Ca 0.00 -1.43 -0.34 0.00 -0.56 0.00 0.00 57.45 55.11 2k8q n PHE 14 Cb 0.13 0.71 -0.09 0.00 1.52 0.00 0.00 39.48 41.76 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 -2.24 4.43 -0.33 1.97 -1.09 0.32 -1.75 121.20 122.51 2k8q s ILE 15 Ca 0.14 -0.29 0.04 0.00 -2.23 0.00 0.00 60.65 58.31 2k8q s ILE 15 Cb -0.04 -2.90 0.10 0.00 -1.58 0.00 0.00 42.46 38.04 2k8q s ILE 15 CO 0.09 0.54 0.04 0.12 -1.23 0.00 0.00 174.94 174.50 2k8q s PHE 16 N -0.97 3.61 -0.22 3.97 5.36 -0.40 -2.30 117.98 127.03 2k8q s PHE 16 Ca 0.16 -2.89 -0.17 0.00 -0.96 0.00 0.00 56.93 53.07 2k8q s PHE 16 Cb -0.11 -2.80 -0.04 0.00 -0.34 0.00 0.00 43.02 39.73 2k8q s PHE 16 CO 0.05 -0.94 0.44 -1.17 -1.46 0.00 0.00 175.22 172.14 2k8q s LEU 17 N 0.96 4.12 -0.09 6.12 2.96 0.28 -0.62 118.68 132.41 2k8q s LEU 17 Ca 0.10 0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 54.52 2k8q s LEU 17 Cb -0.19 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.91 2k8q s LEU 17 CO -0.09 -0.15 -0.06 -0.75 -1.32 0.00 0.00 176.35 173.98 2k8q s LYS 18 N 1.65 2.98 -0.07 1.98 2.20 0.15 -0.04 119.74 128.60 2k8q s LYS 18 Ca 0.20 -0.54 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 2k8q s LYS 18 Cb -0.15 -2.67 0.01 0.00 -1.51 0.00 0.00 37.83 33.50 2k8q s LYS 18 CO 0.09 0.56 -0.16 0.42 -0.36 0.00 0.00 175.35 175.90 2k8q s ILE 19 N -0.53 1.43 -0.53 5.43 1.09 -0.43 -0.36 121.20 127.30 2k8q s ILE 19 Ca 0.08 -0.67 -0.19 0.00 -1.10 0.00 0.00 60.65 58.77 2k8q s ILE 19 Cb -0.12 -1.26 0.07 0.00 -1.06 0.00 0.00 42.46 40.09 2k8q s ILE 19 CO 0.02 0.42 0.65 -0.36 -0.10 0.00 0.00 174.94 175.57 2k8q s PHE 20 N 0.40 3.03 0.25 3.97 0.08 -0.35 -1.46 117.98 123.90 2k8q s PHE 20 Ca -0.12 -0.61 0.03 0.00 0.12 0.00 0.00 56.93 56.34 2k8q s PHE 20 Cb -0.15 -3.66 -0.01 0.00 -0.57 0.00 0.00 43.02 38.63 2k8q s PHE 20 CO 0.04 -1.10 0.10 0.44 -0.10 0.00 0.00 175.22 174.60 2k8q n ILE 21 N 5.62 0.00 -4.65 0.64 -5.35 -1.25 -3.99 119.36 110.38 2k8q n ILE 21 Ca -0.07 -1.50 -0.30 0.00 -0.27 0.00 0.00 62.75 60.61 2k8q n ILE 21 Cb 0.45 0.56 -0.09 0.00 -1.74 0.00 0.00 39.64 38.81 2k8q n ILE 21 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2k8q s SER 22 N -2.57 4.04 -0.31 7.28 0.15 -1.26 -4.49 113.70 116.54 2k8q s SER 22 Ca 0.14 -1.50 0.04 0.00 0.70 0.00 0.00 55.95 55.33 2k8q s SER 22 Cb 0.01 0.08 0.50 0.00 -1.71 0.00 0.00 66.02 64.89 2k8q s SER 22 CO 0.10 -0.67 1.65 -0.46 1.20 0.00 0.00 173.24 175.06 2k8q n ASN 23 N -1.15 3.64 -4.56 5.45 0.23 -1.26 -4.81 115.26 112.81 2k8q n ASN 23 Ca -0.12 -3.13 -0.22 0.00 -0.53 0.00 0.00 54.58 50.59 2k8q n ASN 23 Cb 0.67 -0.74 -0.06 0.00 -2.08 0.00 0.00 39.78 37.57 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 -0.59 -0.03 -3.68 1.53 -5.35 -1.26 -2.77 119.36 107.21 2k8q n ILE 24 Ca 0.41 -0.61 -0.28 0.00 -0.27 0.00 0.00 62.75 62.00 2k8q n ILE 24 Cb 1.32 -2.29 0.00 0.00 -1.74 0.00 0.00 39.64 36.94 2k8q n ILE 24 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2k8q n ARG 25 N 8.87 -4.07 -1.83 6.28 3.00 -1.26 -4.83 116.66 122.81 2k8q n ARG 25 Ca 0.43 0.52 -0.43 0.00 -0.01 0.00 0.00 57.85 58.36 2k8q n ARG 25 Cb 0.47 -5.30 -0.03 0.00 0.00 0.00 0.00 32.46 27.61 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 -3.12 1.56 0.17 -1.55 2.19 -1.11 -4.97 117.98 111.14 2k8q s PHE 26 Ca 0.55 0.41 0.02 0.00 0.33 0.00 0.00 56.93 58.24 2k8q s PHE 26 Cb -0.28 -4.04 0.02 0.00 -1.31 0.00 0.00 43.02 37.41 2k8q s PHE 26 CO 0.67 -3.77 0.19 0.43 1.83 0.00 0.00 175.22 174.56 2k8q n SER 27 N 9.96 0.97 -0.18 6.13 7.64 -1.26 -5.05 113.62 131.83 2k8q n SER 27 Ca 0.24 -1.49 0.09 0.00 1.01 0.00 0.00 58.87 58.72 2k8q n SER 27 Cb 0.45 -0.08 0.15 0.00 -1.01 0.00 0.00 64.21 63.72 2k8q n SER 27 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8q n ALA 28 N -2.75 2.53 -3.93 -0.43 0.00 -1.26 -4.86 120.51 109.81 2k8q n ALA 28 Ca -0.04 -2.76 -0.30 0.00 0.00 0.00 0.00 53.44 50.34 2k8q n ALA 28 Cb 0.18 -0.37 -0.14 0.00 0.00 0.00 0.00 19.45 19.12 2k8q n ALA 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k8q s VAL 29 N -2.94 2.55 0.00 0.00 0.11 -1.26 -4.70 120.40 114.16 2k8q s VAL 29 Ca 0.33 -3.39 0.00 0.00 -2.93 0.00 0.00 61.98 55.99 2k8q s VAL 29 Cb 0.30 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.39 2k8q s VAL 29 CO 0.01 -0.83 0.00 0.61 -3.33 0.00 0.00 175.10 171.56 2k8q n GLY 30 N 3.00 3.72 3.44 6.54 0.00 -1.26 -5.05 105.19 115.58 2k8q n GLY 30 Ca 0.07 -0.55 -0.49 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 1.97 -2.87 0.99 7.99 -1.26 -4.80 117.00 119.01 2k8q n LEU 31 Ca 0.00 0.35 -0.05 0.00 -0.01 0.00 0.00 56.01 56.30 2k8q n LEU 31 Cb 0.00 -1.25 -0.00 0.00 -0.11 0.00 0.00 43.42 42.06 2k8q n LEU 31 CO 0.00 -0.79 0.08 -1.61 -1.51 0.00 0.00 177.39 173.56 2k8q s GLU 32 N 6.52 1.03 0.08 3.23 2.02 -1.26 -4.99 118.70 125.32 2k8q s GLU 32 Ca 1.11 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 54.77 2k8q s GLU 32 Cb -0.86 -0.13 -0.06 0.00 0.10 0.00 0.00 34.13 33.18 2k8q s GLU 32 CO 0.48 -1.31 1.09 0.42 0.02 0.00 0.00 175.26 175.96 2k8q s ILE 33 N 0.96 4.26 0.04 -1.63 1.01 -1.26 -4.53 121.20 120.05 2k8q s ILE 33 Ca 0.28 1.73 0.07 0.00 0.00 0.00 0.00 60.65 62.73 2k8q s ILE 33 Cb -0.01 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2k8q s ILE 33 CO -0.06 0.20 -0.19 -0.51 0.00 0.00 0.00 174.94 174.37 2k8q s ILE 34 N 0.56 1.55 -0.16 2.92 -1.16 -1.04 -5.00 121.20 118.88 2k8q s ILE 34 Ca 0.53 -1.13 -0.06 0.00 -0.51 0.00 0.00 60.65 59.48 2k8q s ILE 34 Cb -0.27 -1.35 -0.04 0.00 0.61 0.00 0.00 42.46 41.42 2k8q s ILE 34 CO 0.30 0.19 0.03 -0.63 -2.81 0.00 0.00 174.94 172.02 2k8q s ILE 35 N -0.78 4.54 0.02 2.00 1.09 -1.26 -0.74 121.20 126.07 2k8q s ILE 35 Ca 0.06 -0.13 -0.00 0.00 -1.10 0.00 0.00 60.65 59.48 2k8q s ILE 35 Cb -0.08 -3.01 0.01 0.00 -1.06 0.00 0.00 42.46 38.31 2k8q s ILE 35 CO 0.01 0.50 0.03 1.67 -0.10 0.00 0.00 174.94 177.05 2k8q n GLN 36 N 3.26 -0.48 -0.24 2.79 0.00 0.97 -4.68 117.38 118.99 2k8q n GLN 36 Ca -0.17 -0.04 0.12 0.00 -0.00 0.00 0.00 57.00 56.91 2k8q n GLN 36 Cb 0.53 -0.03 0.40 0.00 0.00 0.00 0.00 30.24 31.14 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 0.62 0.00 3.69 4.11 -2.00 -3.39 114.58 117.62 2k8q h GLU 37 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2k8q h GLU 37 Cb 0.03 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2k8q h GLU 37 CO 0.01 0.41 -0.15 0.27 0.07 0.00 0.00 179.01 179.62 2k8q n ASN 38 N -4.54 0.00 -4.60 3.06 6.94 -1.26 -4.03 115.26 110.82 2k8q n ASN 38 Ca 0.16 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.43 2k8q n ASN 38 Cb 0.47 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 38.03 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 1.02 -0.04 -3.83 0.23 -1.26 -2.46 119.30 110.96 2k8q s MET 39 Ca 0.00 0.09 0.07 0.00 -1.03 0.00 0.00 55.69 54.81 2k8q s MET 39 Cb 0.00 -1.84 -0.02 0.00 -1.53 0.00 0.00 34.83 31.44 2k8q s MET 39 CO 0.00 -2.24 -0.25 0.42 -2.03 0.00 0.00 175.02 170.92 2k8q s ILE 40 N -3.44 2.12 -0.24 3.16 1.01 -0.14 -0.02 121.20 123.65 2k8q s ILE 40 Ca 0.66 -1.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2k8q s ILE 40 Cb -0.11 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2k8q s ILE 40 CO 0.52 0.57 0.03 -0.63 0.00 0.00 0.00 174.94 175.44 2k8q s ILE 41 N -0.36 3.96 -0.51 2.92 -1.09 0.08 -1.64 121.20 124.57 2k8q s ILE 41 Ca 0.02 -0.29 -0.16 0.00 -2.23 0.00 0.00 60.65 57.99 2k8q s ILE 41 Cb -0.12 -2.84 0.09 0.00 -1.58 0.00 0.00 42.46 38.02 2k8q s ILE 41 CO 0.02 0.37 0.48 0.12 -1.23 0.00 0.00 174.94 174.70 2k8q s PHE 42 N 1.53 3.20 -0.19 3.97 5.36 0.13 -2.48 117.98 129.50 2k8q s PHE 42 Ca 0.06 -1.01 0.22 0.00 -0.96 0.00 0.00 56.93 55.24 2k8q s PHE 42 Cb -0.15 -3.50 -0.31 0.00 -0.34 0.00 0.00 43.02 38.73 2k8q s PHE 42 CO 0.01 -0.94 0.56 1.58 -1.46 0.00 0.00 175.22 174.97 2k8q n HIS 43 N 5.43 0.03 -1.25 10.12 -0.00 -1.26 -1.53 115.22 126.75 2k8q n HIS 43 Ca -0.12 0.01 -0.36 0.00 0.46 0.00 0.00 57.72 57.71 2k8q n HIS 43 Cb 0.42 -0.44 0.07 0.00 -0.12 0.00 0.00 29.99 29.93 2k8q n HIS 43 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2k8q n LEU 44 N -2.16 1.11 -1.15 0.27 0.00 -1.26 -4.72 117.00 109.09 2k8q n LEU 44 Ca -0.03 0.59 0.14 0.00 0.00 0.00 0.00 56.01 56.72 2k8q n LEU 44 Cb 0.53 -1.24 -0.06 0.00 0.00 0.00 0.00 43.42 42.65 2k8q n LEU 44 CO 0.45 -3.00 -0.43 -1.20 0.00 0.00 0.00 177.39 173.21 2k8q n SER 45 N -0.51 -6.66 0.00 1.96 7.64 -1.26 -4.21 113.62 110.57 2k8q n SER 45 Ca 0.10 0.97 0.07 0.00 1.01 0.00 0.00 58.87 61.02 2k8q n SER 45 Cb 0.50 -3.83 0.38 0.00 -1.01 0.00 0.00 64.21 60.25 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 -3.92 0.24 -4.46 1.43 -0.04 -1.26 -4.62 135.00 122.36 2k8q n PRO 46 Ca -0.05 0.13 -0.34 0.00 -0.04 0.00 0.00 63.50 63.21 2k8q n PRO 46 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.51 2.95 -0.13 0.54 2.02 -1.26 -5.10 117.35 113.85 2k8q s TYR 47 Ca 0.15 -0.48 -0.17 0.00 -0.37 0.00 0.00 57.07 56.20 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 -0.15 0.43 -0.47 -1.57 0.00 0.00 175.55 174.01 2k8q s TYR 48 N 0.49 3.50 0.02 2.71 6.14 -1.26 -4.66 117.35 124.28 2k8q s TYR 48 Ca -0.05 0.81 0.05 0.00 0.64 0.00 0.00 57.07 58.52 2k8q s TYR 48 Cb -0.15 -2.50 -0.02 0.00 0.42 0.00 0.00 41.96 39.72 2k8q s TYR 48 CO 0.03 0.18 -0.15 -1.17 0.64 0.00 0.00 175.55 175.08 2k8q s LEU 49 N 0.60 2.11 -0.08 6.97 1.98 -0.58 -4.00 118.68 125.69 2k8q s LEU 49 Ca 0.23 -0.39 0.05 0.00 -2.89 0.00 0.00 54.13 51.14 2k8q s LEU 49 Cb -0.15 -0.73 -0.01 0.00 0.66 0.00 0.00 46.19 45.97 2k8q s LEU 49 CO 0.09 0.12 -0.23 -0.60 -1.89 0.00 0.00 176.35 173.83 2k8q s ARG 50 N -0.81 2.80 -0.20 1.98 3.52 -1.26 -0.69 118.95 124.29 2k8q s ARG 50 Ca 0.04 -0.87 0.01 0.00 -0.13 0.00 0.00 55.73 54.78 2k8q s ARG 50 Cb -0.07 -2.26 0.03 0.00 -1.56 0.00 0.00 34.95 31.10 2k8q s ARG 50 CO 0.01 0.30 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.14 2k8q s LEU 51 N 0.04 2.39 -0.36 -0.88 1.43 -0.65 -4.35 118.68 116.30 2k8q s LEU 51 Ca -0.09 -0.85 -0.05 0.00 -1.03 0.00 0.00 54.13 52.11 2k8q s LEU 51 Cb -0.15 -1.39 0.07 0.00 0.03 0.00 0.00 46.19 44.74 2k8q s LEU 51 CO 0.06 -0.09 0.13 -0.60 0.23 0.00 0.00 176.35 176.08 2k8q s ARG 52 N 1.30 2.41 0.24 1.70 3.52 -1.25 -0.97 118.95 125.91 2k8q s ARG 52 Ca 0.00 -1.41 -0.00 0.00 -0.13 0.00 0.00 55.73 54.19 2k8q s ARG 52 Cb -0.15 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2k8q s ARG 52 CO -0.10 -0.80 0.43 -0.06 -0.81 0.00 0.00 175.30 173.96 2k8q s PHE 53 N 1.30 3.48 -1.28 5.12 0.08 -1.26 -4.51 117.98 120.92 2k8q s PHE 53 Ca 0.01 0.34 0.15 0.00 0.12 0.00 0.00 56.93 57.54 2k8q s PHE 53 Cb -0.21 -1.86 0.69 0.00 -0.57 0.00 0.00 43.02 41.08 2k8q s PHE 53 CO -0.00 0.32 1.42 -0.35 -0.10 0.00 0.00 175.22 176.51 2k8q n PRO 54 N -0.96 0.13 -2.38 0.24 -0.04 -1.26 -4.76 135.00 125.97 2k8q n PRO 54 Ca -0.05 0.19 -0.08 0.00 -0.04 0.00 0.00 63.50 63.52 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 -1.36 -0.56 -4.33 0.54 8.25 -1.26 -5.14 115.22 111.35 2k8q n HIS 55 Ca 0.06 -0.64 -0.29 0.00 -0.26 0.00 0.00 57.72 56.59 2k8q n HIS 55 Cb 0.13 -0.11 -0.17 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.55 2.22 0.55 -0.41 1.03 -1.26 -4.58 118.70 113.69 2k8q s GLU 56 Ca 0.05 -0.55 0.08 0.00 0.03 0.00 0.00 54.97 54.58 2k8q s GLU 56 Cb -0.00 -1.93 0.07 0.00 -0.80 0.00 0.00 34.13 31.46 2k8q s GLU 56 CO 0.03 -0.11 0.65 -0.51 -1.33 0.00 0.00 175.26 173.99 2k8q s LEU 57 N 1.14 3.02 0.01 1.83 1.43 -1.03 -3.48 118.68 121.59 2k8q s LEU 57 Ca -0.03 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 2k8q s LEU 57 Cb -0.14 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 2k8q s LEU 57 CO -0.04 -1.22 -0.01 -0.51 0.23 0.00 0.00 176.35 174.79 2k8q s ILE 58 N -2.68 0.06 -0.54 -0.59 2.07 -0.62 -4.29 121.20 114.62 2k8q s ILE 58 Ca 0.53 -0.39 -0.13 0.00 -1.41 0.00 0.00 60.65 59.24 2k8q s ILE 58 Cb -0.05 -0.13 0.13 0.00 0.13 0.00 0.00 42.46 42.55 2k8q s ILE 58 CO 0.33 -0.21 0.47 -0.62 -1.91 0.00 0.00 174.94 173.00 2k8q s ASP 59 N -0.62 6.06 0.00 4.50 2.15 -1.26 -3.65 116.67 123.85 2k8q s ASP 59 Ca -0.07 -1.92 0.00 0.00 0.43 0.00 0.00 52.55 50.99 2k8q s ASP 59 Cb -0.04 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 2k8q s ASP 59 CO -0.00 -0.77 0.00 -0.67 -0.17 0.00 0.00 175.17 173.55 2k8q n ASP 60 N 5.01 0.89 0.19 -0.34 2.03 -1.26 -4.98 116.55 118.08 2k8q n ASP 60 Ca -0.09 -0.80 0.04 0.00 0.52 0.00 0.00 54.79 54.46 2k8q n ASP 60 Cb 0.41 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 41.18 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 -0.12 -0.67 4.11 -2.04 -2.75 114.58 113.12 2k8q h GLU 61 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 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 0.37 -0.41 0.07 0.07 0.00 0.00 179.01 179.11 2k8q h ARG 62 N 0.00 0.26 -6.75 1.06 -0.00 -1.98 -3.44 114.38 103.54 2k8q h ARG 62 Ca -0.00 -0.13 -0.53 0.00 -0.00 0.00 0.00 59.98 59.32 2k8q h ARG 62 Cb 0.72 -0.00 0.07 0.00 -0.00 0.00 0.00 29.97 30.76 2k8q h ARG 62 CO 0.05 0.64 0.93 0.45 -0.00 0.00 0.00 179.97 182.03 2k8q s SER 63 N -6.88 6.38 -0.18 0.08 0.15 -1.04 -4.91 113.70 107.31 2k8q s SER 63 Ca -0.05 2.91 -0.35 0.00 0.70 0.00 0.00 55.95 59.17 2k8q s SER 63 Cb 0.13 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.96 2k8q s SER 63 CO 0.78 -0.93 1.26 0.28 1.20 0.00 0.00 173.24 175.82 2k8q s THR 64 N 0.42 0.00 0.02 6.45 -1.32 -1.03 -4.88 115.64 115.30 2k8q s THR 64 Ca 0.67 -0.04 0.07 0.00 -1.21 0.00 0.00 61.69 61.18 2k8q s THR 64 Cb -0.48 -1.19 -0.02 0.00 -1.51 0.00 0.00 72.50 69.29 2k8q s THR 64 CO 0.42 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.63 2k8q s ALA 65 N -2.34 1.71 -0.08 11.08 0.00 -1.26 -0.40 121.76 130.48 2k8q s ALA 65 Ca 0.11 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2k8q s ALA 65 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2k8q s ALA 65 CO -0.04 0.40 -0.22 -0.65 0.00 0.00 0.00 175.76 175.25 2k8q s GLN 66 N -0.93 2.60 -0.13 0.00 -0.21 0.79 -4.97 119.66 116.82 2k8q s GLN 66 Ca 0.07 -0.79 -0.23 0.00 0.02 0.00 0.00 55.36 54.44 2k8q s GLN 66 Cb -0.08 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 2k8q s GLN 66 CO 0.01 0.21 0.69 -0.47 -2.12 0.00 0.00 175.29 173.61 2k8q s TYR 67 N 0.24 3.49 -0.27 0.91 5.04 -1.26 -1.12 117.35 124.38 2k8q s TYR 67 Ca -0.13 1.13 -0.10 0.00 -2.44 0.00 0.00 57.07 55.53 2k8q s TYR 67 Cb -0.16 -2.82 -0.05 0.00 0.35 0.00 0.00 41.96 39.28 2k8q s TYR 67 CO 0.06 -0.04 0.16 -0.51 -1.34 0.00 0.00 175.55 173.88 2k8q s ASP 68 N 0.96 5.82 -0.17 4.32 1.01 0.63 -4.98 116.67 124.26 2k8q s ASP 68 Ca 0.34 -0.05 -0.24 0.00 0.71 0.00 0.00 52.55 53.31 2k8q s ASP 68 Cb -0.17 -2.07 -0.22 0.00 1.01 0.00 0.00 42.92 41.46 2k8q s ASP 68 CO 0.14 -0.04 0.45 0.77 0.21 0.00 0.00 175.17 176.70 2k8q h SER 69 N 8.31 0.03 -0.09 0.27 4.64 -1.94 0.36 113.55 125.14 2k8q h SER 69 Ca -0.36 -0.72 0.03 0.00 -0.47 0.00 0.00 61.79 60.26 2k8q h SER 69 Cb 1.19 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2k8q h SER 69 CO 0.56 1.32 0.25 0.07 -0.87 0.00 0.00 176.83 178.16 2k8q h LYS 70 N -0.94 0.00 0.00 4.77 -0.00 -1.97 -0.64 116.57 117.80 2k8q h LYS 70 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.44 2k8q h LYS 70 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.46 2k8q h LYS 70 CO -0.11 0.00 -0.39 -3.47 -0.00 0.00 0.00 179.45 175.48 2k8q n ASP 71 N -3.24 1.06 -1.93 7.07 2.03 -1.25 -4.99 116.55 115.30 2k8q n ASP 71 Ca -0.00 -0.45 -0.19 0.00 0.52 0.00 0.00 54.79 54.66 2k8q n ASP 71 Cb 0.33 1.04 -0.05 0.00 -0.72 0.00 0.00 41.12 41.72 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 -1.21 -1.58 -4.14 -0.67 1.02 0.12 -4.96 120.64 109.21 2k8q n GLU 72 Ca 0.00 1.05 -0.23 0.00 -0.02 0.00 0.00 57.16 57.96 2k8q n GLU 72 Cb 0.06 -5.53 -0.07 0.00 -0.02 0.00 0.00 31.44 25.88 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 -2.44 2.88 -0.19 0.00 -1.09 -0.54 -0.27 121.20 119.55 2k8q s ILE 74 Ca 0.37 -0.74 -0.04 0.00 -2.23 0.00 0.00 60.65 58.01 2k8q s ILE 74 Cb -0.02 -2.17 -0.02 0.00 -1.58 0.00 0.00 42.46 38.67 2k8q s ILE 74 CO 0.22 0.55 -0.03 0.20 -1.23 0.00 0.00 174.94 174.64 2k8q s ASN 75 N 0.08 4.58 -0.16 3.58 0.01 -0.27 -1.31 114.94 121.45 2k8q s ASN 75 Ca -0.06 -0.26 -0.00 0.00 -0.71 0.00 0.00 52.86 51.82 2k8q s ASN 75 Cb -0.15 -1.77 -0.00 0.00 0.41 0.00 0.00 41.25 39.74 2k8q s ASN 75 CO 0.05 0.06 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.87 2k8q s VAL 76 N 0.99 2.75 -0.04 1.60 1.01 0.94 -0.15 120.40 127.50 2k8q s VAL 76 Ca 0.01 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2k8q s VAL 76 Cb -0.15 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2k8q s VAL 76 CO 0.01 0.51 -0.08 -0.75 0.00 0.00 0.00 175.10 174.79 2k8q s LYS 77 N 0.81 2.65 -0.20 2.72 2.36 0.47 -0.55 119.74 127.99 2k8q s LYS 77 Ca -0.05 -0.62 -0.12 0.00 -2.55 0.00 0.00 55.97 52.63 2k8q s LYS 77 Cb -0.15 -2.53 0.06 0.00 -1.05 0.00 0.00 37.83 34.16 2k8q s LYS 77 CO 0.00 0.64 0.50 0.54 1.55 0.00 0.00 175.35 178.58 2k8q s VAL 78 N -0.85 -0.02 0.45 4.02 0.11 -0.97 -2.47 120.40 120.67 2k8q s VAL 78 Ca 0.13 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.06 2k8q s VAL 78 Cb -0.11 -0.73 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 2k8q s VAL 78 CO 0.03 0.02 0.93 0.00 -3.33 0.00 0.00 175.10 172.75 2k8q s ALA 79 N 1.35 3.10 0.47 1.54 0.00 -1.24 -0.52 121.76 126.47 2k8q s ALA 79 Ca -0.09 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.17 2k8q s ALA 79 Cb -0.07 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 20.06 2k8q s ALA 79 CO -0.13 0.01 0.63 0.36 0.00 0.00 0.00 175.76 176.63 2k8q n LYS 80 N -0.99 0.61 -0.05 0.00 0.00 -1.26 -1.59 118.16 114.88 2k8q n LYS 80 Ca 0.06 -2.33 -0.05 0.00 -0.00 0.00 0.00 58.31 55.99 2k8q n LYS 80 Cb 0.54 -0.23 -0.14 0.00 -0.00 0.00 0.00 35.03 35.20 2k8q n LYS 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2k8q n LEU 81 N 0.00 0.31 -3.81 -5.58 4.77 -1.23 -4.59 117.00 106.87 2k8q n LEU 81 Ca 0.12 0.14 -0.28 0.00 -0.03 0.00 0.00 56.01 55.97 2k8q n LEU 81 Cb 0.45 0.29 -0.16 0.00 -2.33 0.00 0.00 43.42 41.67 2k8q n LEU 81 CO 0.30 0.34 -0.39 0.20 -1.33 0.00 0.00 177.39 176.50 2k8q s ASN 82 N -5.50 2.92 1.00 -1.43 0.01 -1.26 -5.13 114.94 105.54 2k8q s ASN 82 Ca -0.07 -0.77 -0.11 0.00 -0.71 0.00 0.00 52.86 51.19 2k8q s ASN 82 Cb 0.08 -0.76 0.17 0.00 0.41 0.00 0.00 41.25 41.15 2k8q s ASN 82 CO 0.84 -0.25 0.99 1.17 -1.51 0.00 0.00 177.10 178.34 2k8q n LYS 83 N 4.95 -1.01 -1.60 -0.60 4.81 -1.26 -2.86 118.16 120.58 2k8q n LYS 83 Ca -0.10 -0.24 -0.18 0.00 -0.87 0.00 0.00 58.31 56.91 2k8q n LYS 83 Cb 0.47 -2.24 -0.07 0.00 0.02 0.00 0.00 35.03 33.20 2k8q n LYS 83 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2k8q n ASN 84 N -4.04 -5.24 -4.77 3.14 5.03 -1.02 -4.96 115.26 103.41 2k8q n ASN 84 Ca 0.09 0.42 -0.36 0.00 0.87 0.00 0.00 54.58 55.60 2k8q n ASN 84 Cb 0.53 -4.36 -0.07 0.00 -1.02 0.00 0.00 39.78 34.86 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 -3.68 4.01 0.51 3.52 2.12 -1.14 -5.00 118.70 119.05 2k8q s GLU 85 Ca 0.00 -0.18 0.07 0.00 0.36 0.00 0.00 54.97 55.21 2k8q s GLU 85 Cb 0.00 -3.36 0.03 0.00 0.26 0.00 0.00 34.13 31.05 2k8q s GLU 85 CO 0.00 0.41 0.43 1.52 -0.54 0.00 0.00 175.26 177.09 2k8q s TYR 86 N 0.03 1.89 0.12 5.30 -0.85 -1.26 -4.67 117.35 117.91 2k8q s TYR 86 Ca 0.10 -0.74 0.05 0.00 -0.52 0.00 0.00 57.07 55.97 2k8q s TYR 86 Cb -0.11 -2.01 -0.04 0.00 0.38 0.00 0.00 41.96 40.18 2k8q s TYR 86 CO -0.00 -0.45 -0.13 -0.06 -1.52 0.00 0.00 175.55 173.39 2k8q s PHE 87 N -2.68 1.31 -0.06 -3.49 0.40 -1.26 -5.01 117.98 107.19 2k8q s PHE 87 Ca 0.41 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 2k8q s PHE 87 Cb -0.03 -0.69 -0.04 0.00 0.51 0.00 0.00 43.02 42.77 2k8q s PHE 87 CO 0.25 0.11 -0.05 -0.85 0.70 0.00 0.00 175.22 175.37 2k8q n GLU 88 N 0.54 0.27 0.28 0.44 0.28 -1.26 -4.61 120.64 116.57 2k8q n GLU 88 Ca -0.16 0.03 0.14 0.00 -0.16 0.00 0.00 57.16 57.02 2k8q n GLU 88 Cb 0.57 -1.12 0.84 0.00 1.43 0.00 0.00 31.44 33.16 2k8q n GLU 88 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2k8q h ASP 89 N 0.00 0.00 -0.00 -1.84 5.19 -1.96 -1.56 116.42 116.24 2k8q h ASP 89 Ca -0.14 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2k8q h ASP 89 Cb 1.21 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.72 2k8q h ASP 89 CO -0.02 0.05 0.00 -0.07 -3.12 0.00 0.00 179.24 176.09 2k8q h LEU 90 N 0.00 0.00 -1.41 1.55 4.07 -1.94 -0.33 115.31 117.24 2k8q h LEU 90 Ca -0.00 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 2k8q h LEU 90 Cb 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2k8q h LEU 90 CO 0.01 0.00 -0.27 -0.78 -1.08 0.00 0.00 178.44 176.31 2k8q h ASP 91 N 0.00 0.00 -3.38 -0.43 3.58 -1.58 -3.41 116.42 111.20 2k8q h ASP 91 Ca 0.00 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.79 2k8q h ASP 91 Cb 0.01 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 40.75 2k8q h ASP 91 CO -0.00 0.27 -0.76 -0.76 -2.88 0.00 0.00 179.24 175.12 2k8q s LEU 92 N -7.62 2.89 0.00 2.28 2.01 -0.13 -4.98 118.68 113.13 2k8q s LEU 92 Ca -0.02 -0.65 0.14 0.00 0.01 0.00 0.00 54.13 53.61 2k8q s LEU 92 Cb 0.13 -1.66 0.66 0.00 0.01 0.00 0.00 46.19 45.33 2k8q s LEU 92 CO 0.67 -0.06 1.44 -0.81 1.01 0.00 0.00 176.35 178.59 2k8q n PRO 93 N 4.71 0.07 0.04 1.29 -0.04 -1.26 -2.22 135.00 137.59 2k8q n PRO 93 Ca -0.18 0.22 0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2k8q n PRO 93 Cb 0.49 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 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 0.73 0.25 0.52 -2.24 -1.26 -3.81 114.28 107.05 2k8q n THR 94 Ca 0.05 -0.61 0.11 0.00 -2.27 0.00 0.00 64.05 61.33 2k8q n THR 94 Cb 0.15 -0.40 0.66 0.00 -2.10 0.00 0.00 70.33 68.64 2k8q n THR 94 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2k8q h LYS 95 N 0.00 0.00 0.16 -0.78 1.63 -1.70 0.05 116.57 115.93 2k8q h LYS 95 Ca -0.10 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.36 2k8q h LYS 95 Cb 1.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2k8q h LYS 95 CO 0.02 0.15 -1.72 -0.07 -3.45 0.00 0.00 179.45 174.37 2k8q h LEU 96 N 0.00 0.54 0.19 5.20 -0.00 -1.70 -3.41 115.31 116.14 2k8q h LEU 96 Ca -0.00 -0.93 -0.01 0.00 -0.00 0.00 0.00 57.88 56.94 2k8q h LEU 96 Cb 0.40 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2k8q h LEU 96 CO 0.02 1.77 -0.09 -0.07 -0.00 0.00 0.00 178.44 180.07 2k8q h LEU 97 N 0.02 -0.22 -2.43 1.67 3.38 -1.61 -3.32 115.31 112.81 2k8q h LEU 97 Ca -0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2k8q h LEU 97 Cb 2.02 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.83 2k8q h LEU 97 CO 0.14 -0.03 -0.21 0.00 0.09 0.00 0.00 178.44 178.43 2k8q n ALA 98 N -2.32 -2.68 -3.54 1.53 0.00 -0.01 -4.96 120.51 108.52 2k8q n ALA 98 Ca -0.03 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.76 2k8q n ALA 98 Cb 0.10 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.23 2k8q n ALA 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k8q s ARG 99 N -2.68 0.89 -0.04 0.00 1.70 -1.26 -5.05 118.95 112.51 2k8q s ARG 99 Ca 0.11 0.62 0.08 0.00 -0.47 0.00 0.00 55.73 56.06 2k8q s ARG 99 Cb -0.03 0.43 -0.12 0.00 -0.57 0.00 0.00 34.95 34.66 2k8q s ARG 99 CO 0.64 -0.19 0.12 0.00 -1.08 0.00 0.00 175.30 174.80 2k8q n GLN 100 N 1.94 1.24 0.00 3.89 10.64 -1.26 -5.08 117.38 128.75 2k8q n GLN 100 Ca -0.16 -0.05 0.00 0.00 -1.83 0.00 0.00 57.00 54.96 2k8q n GLN 100 Cb 0.56 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.74 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 2.22 2.67 2.83 2.61 0.00 -1.26 -5.13 105.19 109.13 2k8q n GLY 101 Ca -0.06 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 3.40 -1.10 1.61 1.01 -1.26 -4.79 116.67 115.55 2k8q s ASP 102 Ca 0.00 -1.02 0.00 0.00 0.71 0.00 0.00 52.55 52.24 2k8q s ASP 102 Cb 0.00 -0.89 0.00 0.00 1.01 0.00 0.00 42.92 43.04 2k8q s ASP 102 CO 0.00 -0.28 0.00 0.18 0.21 0.00 0.00 175.17 175.28 2k8q n LEU 103 N 4.86 -1.13 -4.56 1.23 4.77 -1.26 -4.87 117.00 116.05 2k8q n LEU 103 Ca -0.10 0.21 -0.40 0.00 -0.03 0.00 0.00 56.01 55.69 2k8q n LEU 103 Cb 0.45 -2.13 0.03 0.00 -2.33 0.00 0.00 43.42 39.45 2k8q n LEU 103 CO 0.15 -0.20 0.39 0.00 -1.33 0.00 0.00 177.39 176.41 2k8q n ALA 104 N -1.88 -0.32 -2.62 -1.18 0.00 -1.26 -5.01 120.51 108.24 2k8q n ALA 104 Ca -0.14 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k8q n ALA 104 Cb 0.59 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 1.42 4.52 0.08 0.00 0.00 -1.26 -5.02 105.19 104.94 2k8q n GLY 105 Ca 0.11 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 -3.00 3.32 -1.78 4.61 0.00 -1.26 -4.93 120.51 117.48 2k8q n ALA 106 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.88 2k8q n ALA 106 Cb 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.23 2k8q n ALA 106 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k8q n ASP 107 N -1.21 -5.55 -4.12 0.00 9.92 -1.26 -4.97 116.55 109.37 2k8q n ASP 107 Ca 0.08 0.38 -0.29 0.00 -0.53 0.00 0.00 54.79 54.44 2k8q n ASP 107 Cb 0.34 -4.78 0.19 0.00 -0.64 0.00 0.00 41.12 36.22 2k8q n ASP 107 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k8q s ALA 108 N -2.82 2.50 0.33 2.24 0.00 -1.26 -5.12 121.76 117.64 2k8q s ALA 108 Ca 0.00 -1.44 -0.07 0.00 0.00 0.00 0.00 51.96 50.45 2k8q s ALA 108 Cb 0.00 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.57 2k8q s ALA 108 CO 0.00 -2.37 0.53 -0.48 0.00 0.00 0.00 175.76 173.44 2k8q s LEU 109 N -5.79 0.70 -0.20 0.00 2.34 -1.26 -5.16 118.68 109.32 2k8q s LEU 109 Ca 0.75 -1.32 -0.05 0.00 0.06 0.00 0.00 54.13 53.56 2k8q s LEU 109 Cb -0.03 1.77 0.10 0.00 -0.56 0.00 0.00 46.19 47.47 2k8q s LEU 109 CO 0.52 -1.34 0.35 -0.89 -1.06 0.00 0.00 176.35 173.93 2k8q s THR 110 N -3.10 -0.55 0.14 5.48 2.01 -1.26 -5.13 115.64 113.24 2k8q s THR 110 Ca 0.26 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2k8q s THR 110 Cb -0.01 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.84 2k8q s THR 110 CO 0.17 0.00 0.00 1.21 -0.69 0.00 0.00 174.62 175.31 2k8q n GLU 111 N 5.37 -1.25 -4.28 4.92 4.07 -1.26 -4.98 120.64 123.22 2k8q n GLU 111 Ca -0.06 0.82 -0.15 0.00 -0.06 0.00 0.00 57.16 57.71 2k8q n GLU 111 Cb 0.50 -1.52 -0.10 0.00 -0.06 0.00 0.00 31.44 30.25 2k8q n GLU 111 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2k8q s ASN 112 N -5.15 1.07 0.13 4.31 4.22 -1.26 -5.17 114.94 113.09 2k8q s ASN 112 Ca 0.00 -1.34 0.03 0.00 -2.14 0.00 0.00 52.86 49.42 2k8q s ASN 112 Cb 0.00 0.18 -0.04 0.00 1.28 0.00 0.00 41.25 42.67 2k8q s ASN 112 CO 0.00 -0.71 0.16 0.28 -2.04 0.00 0.00 177.10 174.79 2k8q s THR 113 N -3.78 4.77 0.31 0.54 -1.32 -1.26 -5.12 115.64 109.78 2k8q s THR 113 Ca 0.35 -0.85 -0.17 0.00 -1.21 0.00 0.00 61.69 59.81 2k8q s THR 113 Cb 0.07 -3.40 0.02 0.00 -1.51 0.00 0.00 72.50 67.69 2k8q s THR 113 CO 0.11 -0.02 0.68 1.51 -2.21 0.00 0.00 174.62 174.69 2k8q s ASP 114 N -2.89 -0.09 0.47 8.08 -4.77 -1.26 -5.12 116.67 111.08 2k8q s ASP 114 Ca 0.32 -0.86 0.03 0.00 -3.30 0.00 0.00 52.55 48.74 2k8q s ASP 114 Cb -0.11 0.73 -0.02 0.00 -1.09 0.00 0.00 42.92 42.43 2k8q s ASP 114 CO 0.25 -1.40 0.04 0.00 0.70 0.00 0.00 175.17 174.76 2k8q s ALA 115 N -3.47 3.63 0.12 2.11 0.00 -1.26 -5.15 121.76 117.74 2k8q s ALA 115 Ca 0.15 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 2k8q s ALA 115 Cb -0.05 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 23.28 2k8q s ALA 115 CO 0.09 -0.13 0.39 0.15 0.00 0.00 0.00 175.76 176.27 2k8q s LYS 116 N -3.82 3.68 0.83 0.00 -0.14 -1.26 -5.07 119.74 113.97 2k8q s LYS 116 Ca 0.15 0.04 -0.12 0.00 -1.36 0.00 0.00 55.97 54.67 2k8q s LYS 116 Cb 0.03 -2.90 0.10 0.00 -1.68 0.00 0.00 37.83 33.38 2k8q s LYS 116 CO 0.08 0.50 1.17 -1.59 -0.76 0.00 0.00 175.35 174.75 2k8q s LYS 117 N -2.35 1.53 -0.27 1.68 0.00 -1.26 -5.01 119.74 114.06 2k8q s LYS 117 Ca 0.38 1.63 -0.00 0.00 0.00 0.00 0.00 55.97 57.97 2k8q s LYS 117 Cb -0.13 -1.78 0.05 0.00 0.00 0.00 0.00 37.83 35.97 2k8q s LYS 117 CO 0.21 -2.26 -0.05 0.99 0.00 0.00 0.00 175.35 174.24 2k8q s THR 118 N -2.38 2.72 -0.37 3.79 2.01 -1.26 -5.07 115.64 115.07 2k8q s THR 118 Ca 0.70 -1.35 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 2k8q s THR 118 Cb -0.25 -2.51 0.08 0.00 0.01 0.00 0.00 72.50 69.82 2k8q s THR 118 CO 0.53 0.01 0.15 -1.58 -0.69 0.00 0.00 174.62 173.04 2k8q s GLN 119 N 1.23 2.30 -0.63 4.92 2.00 -1.26 -5.00 119.66 123.23 2k8q s GLN 119 Ca -0.05 -1.53 0.06 0.00 -2.00 0.00 0.00 55.36 51.84 2k8q s GLN 119 Cb -0.19 -3.50 0.26 0.00 0.80 0.00 0.00 33.01 30.38 2k8q s GLN 119 CO -0.03 -0.89 0.78 1.17 -0.50 0.00 0.00 175.29 175.82 2k8q n LYS 120 N 4.69 2.62 -0.93 1.67 4.81 -1.26 -5.09 118.16 124.67 2k8q n LYS 120 Ca -0.08 -4.69 -0.27 0.00 -0.87 0.00 0.00 58.31 52.41 2k8q n LYS 120 Cb 0.43 -2.24 0.22 0.00 0.02 0.00 0.00 35.03 33.46 2k8q n LYS 120 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2k8q n PRO 121 N 0.68 -2.93 -3.70 1.64 -0.04 -1.26 -5.07 135.00 124.32 2k8q n PRO 121 Ca 0.30 -1.56 -0.26 0.00 -0.04 0.00 0.00 63.50 61.93 2k8q n PRO 121 Cb 0.41 -1.47 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 2k8q n PRO 121 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k8q s LEU 122 N 0.00 0.84 -0.43 1.53 1.02 -1.26 -5.11 118.68 115.28 2k8q s LEU 122 Ca 0.63 -0.66 -0.12 0.00 0.02 0.00 0.00 54.13 54.01 2k8q s LEU 122 Cb -0.06 -0.46 0.07 0.00 0.02 0.00 0.00 46.19 45.75 2k8q s LEU 122 CO 0.49 -0.31 0.30 -0.63 0.02 0.00 0.00 176.35 176.22 2k8q s ILE 123 N 1.96 4.68 0.87 -0.59 1.01 -1.26 -5.08 121.20 122.80 2k8q s ILE 123 Ca 0.01 -1.16 -0.11 0.00 0.00 0.00 0.00 60.65 59.39 2k8q s ILE 123 Cb -0.16 -3.79 0.12 0.00 0.01 0.00 0.00 42.46 38.64 2k8q s ILE 123 CO -0.08 -0.48 1.16 0.00 0.00 0.00 0.00 174.94 175.55 2k8q s GLN 124 N 1.53 1.30 0.11 2.79 -2.07 -1.26 -5.04 119.66 117.02 2k8q s GLN 124 Ca 0.03 1.59 0.09 0.00 -1.82 0.00 0.00 55.36 55.26 2k8q s GLN 124 Cb -0.23 -1.75 -0.04 0.00 -1.09 0.00 0.00 33.01 29.90 2k8q s GLN 124 CO 0.05 -2.44 -0.22 -1.83 -1.32 0.00 0.00 175.29 169.53 2k8q s GLU 125 N -4.50 1.21 -0.02 9.60 4.04 -1.26 -5.15 118.70 122.63 2k8q s GLU 125 Ca 0.68 -1.23 0.07 0.00 0.04 0.00 0.00 54.97 54.53 2k8q s GLU 125 Cb -0.24 -1.53 -0.02 0.00 0.02 0.00 0.00 34.13 32.36 2k8q s GLU 125 CO 0.55 0.36 -0.21 0.54 -1.84 0.00 0.00 175.26 174.65 2k8q s VAL 126 N -1.18 1.69 1.19 1.83 0.11 -1.26 -5.13 120.40 117.64 2k8q s VAL 126 Ca 0.09 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 58.08 2k8q s VAL 126 Cb -0.10 -1.40 0.25 0.00 -1.53 0.00 0.00 36.38 33.60 2k8q s VAL 126 CO 0.05 0.48 0.70 -1.84 -3.33 0.00 0.00 175.10 171.16 2k8q n GLU 127 N 2.56 -2.46 -3.72 1.54 0.00 -1.26 -5.05 120.64 112.26 2k8q n GLU 127 Ca -0.15 -0.70 -0.12 0.00 0.00 0.00 0.00 57.16 56.19 2k8q n GLU 127 Cb 0.53 -2.01 -0.13 0.00 0.00 0.00 0.00 31.44 29.83 2k8q n GLU 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2k8q s THR 128 N -2.33 -0.08 0.50 3.84 2.01 -1.26 -5.16 115.64 113.16 2k8q s THR 128 Ca 0.65 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.71 2k8q s THR 128 Cb -0.21 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.82 2k8q s THR 128 CO 0.66 0.06 0.86 -0.62 -0.69 0.00 0.00 174.62 174.89 2k8q s ASP 129 N 1.42 6.36 -0.30 3.53 2.15 -1.26 -5.08 116.67 123.48 2k8q s ASP 129 Ca -0.08 1.17 -0.16 0.00 0.43 0.00 0.00 52.55 53.91 2k8q s ASP 129 Cb -0.10 -2.35 0.17 0.00 -0.30 0.00 0.00 42.92 40.34 2k8q s ASP 129 CO -0.09 -0.60 1.08 -0.83 -0.17 0.00 0.00 175.17 174.56 2k8q s GLY 130 N -3.76 -0.00 -0.41 2.66 0.00 -1.26 -5.13 107.32 99.43 2k8q s GLY 130 Ca 0.51 3.26 -0.11 0.00 0.00 0.00 0.00 44.72 48.38 2k8q s GLY 130 CO 0.42 3.19 0.26 0.14 0.00 0.00 0.00 173.10 177.11 2k8q s VAL 131 N 2.16 4.62 0.03 1.40 1.01 -1.26 -5.04 120.40 123.32 2k8q s VAL 131 Ca -0.03 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 60.65 2k8q s VAL 131 Cb -0.04 -3.68 0.06 0.00 0.00 0.00 0.00 36.38 32.72 2k8q s VAL 131 CO -0.16 -0.38 0.61 -0.55 0.00 0.00 0.00 175.10 174.62 2k8q s SER 132 N 1.89 -0.57 0.57 3.32 0.15 -1.26 -5.18 113.70 112.62 2k8q s SER 132 Ca 0.03 0.38 0.06 0.00 0.70 0.00 0.00 55.95 57.12 2k8q s SER 132 Cb -0.21 0.54 0.07 0.00 -1.71 0.00 0.00 66.02 64.71 2k8q s SER 132 CO 0.06 -0.73 0.79 0.54 1.20 0.00 0.00 173.24 175.09 2k8q s ASN 133 N -1.81 5.07 0.00 5.45 4.22 -1.26 -5.34 114.94 121.27 2k8q s ASN 133 Ca -0.06 -0.54 0.00 0.00 -2.14 0.00 0.00 52.86 50.12 2k8q s ASN 133 Cb -0.01 -0.13 0.00 0.00 1.28 0.00 0.00 41.25 42.40 2k8q s ASN 133 CO 0.01 -1.31 0.51 -0.46 -2.04 0.00 0.00 177.10 173.80