#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8h s SER 2 N 0.00 -0.22 -0.30 7.83 0.15 -1.26 -5.18 113.70 114.72 2k8h s SER 2 Ca 0.00 0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.54 2k8h s SER 2 Cb 0.00 0.22 0.21 0.00 -1.71 0.00 0.00 66.02 64.74 2k8h s SER 2 CO 0.00 -0.33 1.28 0.21 1.20 0.00 0.00 173.24 175.59 2k8h s ASN 3 N -2.00 -0.08 -0.07 5.45 2.47 -1.26 -5.19 114.94 114.27 2k8h s ASN 3 Ca 0.07 0.13 -0.32 0.00 0.42 0.00 0.00 52.86 53.16 2k8h s ASN 3 Cb -0.01 0.90 0.13 0.00 -1.45 0.00 0.00 41.25 40.81 2k8h s ASN 3 CO -0.05 -0.02 1.27 0.54 -3.72 0.00 0.00 177.10 175.12 2k8h s ASN 4 N 0.90 -0.08 0.00 -4.21 2.20 -1.26 -5.19 114.94 107.30 2k8h s ASN 4 Ca -0.06 -0.10 0.00 0.00 -0.94 0.00 0.00 52.86 51.76 2k8h s ASN 4 Cb -0.03 0.15 0.00 0.00 -2.00 0.00 0.00 41.25 39.38 2k8h s ASN 4 CO -0.11 -0.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.39 2k8h n GLY 5 N -0.38 1.14 0.00 0.45 0.00 -1.26 -5.17 105.19 99.97 2k8h n GLY 5 Ca -0.06 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.78 2k8h n GLY 5 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8h n GLY 6 N -1.01 3.45 3.42 -0.02 0.00 -1.26 -5.17 105.19 104.59 2k8h n GLY 6 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 2k8h n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8h s GLU 7 N -2.64 1.54 0.96 1.61 2.02 -1.26 -5.15 118.70 115.77 2k8h s GLU 7 Ca 0.00 -1.71 -0.16 0.00 0.02 0.00 0.00 54.97 53.12 2k8h s GLU 7 Cb 0.00 -1.47 0.24 0.00 0.10 0.00 0.00 34.13 33.00 2k8h s GLU 7 CO 0.00 0.25 0.85 -0.35 0.02 0.00 0.00 175.26 176.03 2k8h n PRO 8 N -0.53 -2.69 -3.40 0.39 -0.04 -1.26 -5.08 135.00 122.40 2k8h n PRO 8 Ca -0.06 -1.36 -0.15 0.00 -0.04 0.00 0.00 63.50 61.88 2k8h n PRO 8 Cb 0.60 -1.28 -0.10 0.00 -0.04 0.00 0.00 33.50 32.69 2k8h n PRO 8 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2k8h s SER 9 N -3.80 1.25 0.63 3.54 1.04 -1.26 -5.15 113.70 109.96 2k8h s SER 9 Ca 0.55 -0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.36 2k8h s SER 9 Cb -0.05 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 2k8h s SER 9 CO 0.43 -0.36 1.17 0.21 0.98 0.00 0.00 173.24 175.67 2k8h s ASN 10 N 2.40 5.01 -0.34 7.02 2.47 -1.26 -4.97 114.94 125.27 2k8h s ASN 10 Ca 0.09 2.26 0.14 0.00 0.42 0.00 0.00 52.86 55.77 2k8h s ASN 10 Cb -0.14 -2.58 0.42 0.00 -1.45 0.00 0.00 41.25 37.49 2k8h s ASN 10 CO -0.26 -1.71 1.48 -0.46 -3.72 0.00 0.00 177.10 172.44 2k8h n ASN 11 N -2.01 -1.18 -2.12 -4.21 6.94 -1.26 -4.96 115.26 106.47 2k8h n ASN 11 Ca 0.13 -2.23 -0.26 0.00 -0.02 0.00 0.00 54.58 52.20 2k8h n ASN 11 Cb 0.50 0.59 0.13 0.00 -2.36 0.00 0.00 39.78 38.64 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k8h n GLY 12 N -1.36 5.30 0.08 4.83 0.00 -1.26 -4.61 105.19 108.17 2k8h n GLY 12 Ca -0.14 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 2k8h n GLY 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k8h h GLY 13 N 1.52 -0.05 -3.00 -0.02 0.00 -1.95 -3.50 103.07 96.08 2k8h h GLY 13 Ca 0.55 0.02 0.36 0.00 0.00 0.00 0.00 47.33 48.26 2k8h h GLY 13 CO 1.19 -0.02 -0.54 -2.21 0.00 0.00 0.00 176.54 174.97 2k8h n GLU 14 N -4.73 -2.71 -4.32 4.80 0.00 -1.26 -4.84 120.64 107.57 2k8h n GLU 14 Ca -0.07 1.83 -0.33 0.00 0.00 0.00 0.00 57.16 58.58 2k8h n GLU 14 Cb 0.31 -3.30 -0.09 0.00 0.00 0.00 0.00 31.44 28.36 2k8h n GLU 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2k8h s GLY 15 N -6.68 1.87 0.32 8.31 0.00 -1.26 -4.93 107.32 104.95 2k8h s GLY 15 Ca 0.00 -0.91 0.05 0.00 0.00 0.00 0.00 44.72 43.86 2k8h s GLY 15 CO 0.00 -0.75 0.22 0.00 0.00 0.00 0.00 173.10 172.57 2k8h s ALA 16 N -1.02 1.94 0.53 3.20 0.00 -1.25 -5.12 121.76 120.04 2k8h s ALA 16 Ca 0.18 -1.85 0.06 0.00 0.00 0.00 0.00 51.96 50.35 2k8h s ALA 16 Cb -0.11 1.31 0.03 0.00 0.00 0.00 0.00 23.12 24.34 2k8h s ALA 16 CO 0.08 -0.58 0.38 -2.00 0.00 0.00 0.00 175.76 173.64 2k8h s GLU 17 N -3.65 2.27 -0.08 0.00 2.56 -1.26 -4.89 118.70 113.65 2k8h s GLU 17 Ca 0.37 -2.00 0.01 0.00 0.00 0.00 0.00 54.97 53.36 2k8h s GLU 17 Cb 0.03 -2.09 -0.02 0.00 2.00 0.00 0.00 34.13 34.05 2k8h s GLU 17 CO 0.22 -0.56 -0.11 0.20 -0.56 0.00 0.00 175.26 174.45 2k8h s GLY 18 N -4.24 1.60 0.05 -1.50 0.00 -1.26 -4.73 107.32 97.24 2k8h s GLY 18 Ca 0.34 -0.92 -0.05 0.00 0.00 0.00 0.00 44.72 44.09 2k8h s GLY 18 CO 0.21 -0.56 0.09 -1.59 0.00 0.00 0.00 173.10 171.25 2k8h s THR 19 N -0.44 0.15 0.45 0.90 2.01 -1.26 -5.17 115.64 112.28 2k8h s THR 19 Ca 0.06 -1.27 0.07 0.00 0.31 0.00 0.00 61.69 60.85 2k8h s THR 19 Cb -0.12 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 71.26 2k8h s THR 19 CO 0.02 -0.70 0.62 0.00 -0.69 0.00 0.00 174.62 173.86 2k8h s LYS 21 N -4.43 1.67 0.00 0.00 1.02 -1.26 -5.18 119.74 111.56 2k8h s LYS 21 Ca 0.56 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.57 2k8h s LYS 21 Cb -0.10 0.53 0.00 0.00 -0.52 0.00 0.00 37.83 37.74 2k8h s LYS 21 CO 0.34 -0.77 0.00 -1.91 -0.92 0.00 0.00 175.35 172.09 2k8h n GLU 22 N -0.50 -0.55 -1.42 1.68 2.13 -1.26 -4.86 120.64 115.86 2k8h n GLU 22 Ca -0.05 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.37 2k8h n GLU 22 Cb 0.60 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.29 2k8h n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k8h n GLU 23 N -1.28 2.88 -3.62 5.31 2.13 -1.26 -4.76 120.64 120.04 2k8h n GLU 23 Ca 0.00 -2.26 -0.04 0.00 0.66 0.00 0.00 57.16 55.52 2k8h n GLU 23 Cb 0.00 -3.00 -0.06 0.00 0.27 0.00 0.00 31.44 28.65 2k8h n GLU 23 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2k8h s THR 24 N 3.11 -0.26 -0.24 6.31 -4.23 -1.26 -5.17 115.64 113.91 2k8h s THR 24 Ca 0.55 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.79 2k8h s THR 24 Cb 0.15 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 73.12 2k8h s THR 24 CO -0.05 0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.08 2k8h s ALA 25 N 1.92 -1.97 -0.13 3.99 0.00 -1.26 -5.01 121.76 119.29 2k8h s ALA 25 Ca -0.08 1.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 2k8h s ALA 25 Cb -0.06 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 21.93 2k8h s ALA 25 CO -0.19 -0.26 0.07 -0.51 0.00 0.00 0.00 175.76 174.88 2k8h s LEU 26 N -0.31 0.39 -0.08 0.00 1.02 -1.26 -3.89 118.68 114.54 2k8h s LEU 26 Ca 0.02 -0.42 -0.08 0.00 0.02 0.00 0.00 54.13 53.66 2k8h s LEU 26 Cb -0.03 -0.26 0.02 0.00 0.02 0.00 0.00 46.19 45.94 2k8h s LEU 26 CO -0.04 -0.31 0.23 0.68 0.02 0.00 0.00 176.35 176.93 2k8h s VAL 27 N 2.11 0.00 -0.13 -1.59 -7.23 -0.59 -4.75 120.40 108.23 2k8h s VAL 27 Ca 0.03 -0.04 -0.09 0.00 -1.81 0.00 0.00 61.98 60.07 2k8h s VAL 27 Cb -0.15 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 2k8h s VAL 27 CO -0.07 -0.02 0.17 0.00 -0.31 0.00 0.00 175.10 174.87 2k8h s ALA 28 N 0.04 3.81 -0.03 1.32 0.00 -0.24 -1.36 121.76 125.30 2k8h s ALA 28 Ca -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2k8h s ALA 28 Cb -0.02 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.03 2k8h s ALA 28 CO 0.00 0.49 -0.15 0.08 0.00 0.00 0.00 175.76 176.18 2k8h s VAL 29 N -0.70 1.27 -0.13 0.00 1.01 -0.47 -1.62 120.40 119.76 2k8h s VAL 29 Ca 0.15 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2k8h s VAL 29 Cb -0.12 -1.09 0.02 0.00 0.00 0.00 0.00 36.38 35.19 2k8h s VAL 29 CO 0.04 0.37 -0.15 -1.59 0.00 0.00 0.00 175.10 173.77 2k8h s LYS 30 N -0.06 2.25 -0.24 2.72 -2.85 -0.44 -1.38 119.74 119.74 2k8h s LYS 30 Ca -0.01 -0.56 -0.09 0.00 -1.00 0.00 0.00 55.97 54.31 2k8h s LYS 30 Cb -0.09 -1.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.64 2k8h s LYS 30 CO 0.01 -0.15 0.13 0.54 0.10 0.00 0.00 175.35 175.98 2k8h s VAL 31 N 1.24 5.07 0.14 1.79 0.11 -0.47 -1.50 120.40 126.77 2k8h s VAL 31 Ca -0.01 0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.20 2k8h s VAL 31 Cb -0.14 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.31 2k8h s VAL 31 CO -0.06 0.35 -0.12 0.68 -3.33 0.00 0.00 175.10 172.62 2k8h s VAL 32 N 1.11 3.14 0.13 2.04 -7.23 -0.45 -1.34 120.40 117.80 2k8h s VAL 32 Ca 0.06 -1.48 0.08 0.00 -1.81 0.00 0.00 61.98 58.83 2k8h s VAL 32 Cb -0.14 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2k8h s VAL 32 CO 0.04 0.03 -0.18 0.21 -0.31 0.00 0.00 175.10 174.89 2k8h s ASN 33 N -2.41 2.47 0.29 4.85 2.47 -1.04 -1.37 114.94 120.20 2k8h s ASN 33 Ca 0.22 -0.78 0.03 0.00 0.42 0.00 0.00 52.86 52.75 2k8h s ASN 33 Cb -0.10 -0.13 0.63 0.00 -1.45 0.00 0.00 41.25 40.20 2k8h s ASN 33 CO 0.13 -0.02 1.82 0.00 -3.72 0.00 0.00 177.10 175.31 2k8h h ALA 34 N 3.64 1.59 0.00 1.71 0.00 -1.90 0.24 119.26 124.54 2k8h h ALA 34 Ca -0.43 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2k8h h ALA 34 Cb 1.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2k8h h ALA 34 CO 0.46 0.12 -0.15 -0.44 0.00 0.00 0.00 179.25 179.24 2k8h h ASP 35 N 0.91 0.00 0.00 0.00 3.32 -1.96 -3.46 116.42 115.23 2k8h h ASP 35 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2k8h h ASP 35 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2k8h h ASP 35 CO -0.30 0.15 0.00 0.61 -1.72 0.00 0.00 179.24 177.98 2k8h n GLY 36 N -0.56 1.52 3.55 2.75 0.00 0.86 -5.07 105.19 108.23 2k8h n GLY 36 Ca -0.02 -0.45 -0.51 0.00 0.00 0.00 0.00 46.02 45.05 2k8h n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h n ALA 37 N 0.00 0.85 -2.18 4.61 0.00 -1.26 -4.46 120.51 118.07 2k8h n ALA 37 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 2k8h n ALA 37 Cb 0.00 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 16.85 2k8h n ALA 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k8h s GLU 38 N 5.33 0.94 -0.28 0.00 -1.05 -1.26 -2.51 118.70 119.87 2k8h s GLU 38 Ca 1.04 -1.43 -0.18 0.00 -0.15 0.00 0.00 54.97 54.25 2k8h s GLU 38 Cb -0.84 -0.02 0.09 0.00 -0.44 0.00 0.00 34.13 32.92 2k8h s GLU 38 CO 0.52 -0.15 0.76 0.00 0.95 0.00 0.00 175.26 177.33 2k8h s MET 39 N -3.95 0.67 0.16 -4.83 0.23 -0.45 -4.99 119.30 106.14 2k8h s MET 39 Ca 0.20 1.07 0.10 0.00 -1.03 0.00 0.00 55.69 56.03 2k8h s MET 39 Cb 0.07 0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 2k8h s MET 39 CO -0.00 -0.13 -0.23 -0.59 -2.03 0.00 0.00 175.02 172.04 2k8h s PHE 40 N 1.30 2.15 0.14 3.16 -0.71 -1.26 -1.37 117.98 121.40 2k8h s PHE 40 Ca -0.07 -0.39 -0.23 0.00 -1.04 0.00 0.00 56.93 55.20 2k8h s PHE 40 Cb -0.05 -1.10 0.07 0.00 -1.21 0.00 0.00 43.02 40.73 2k8h s PHE 40 CO -0.15 0.40 0.58 -0.06 -1.34 0.00 0.00 175.22 174.65 2k8h s PHE 41 N -1.54 -0.51 -0.18 3.49 0.08 -0.48 -4.98 117.98 113.85 2k8h s PHE 41 Ca 0.17 0.33 -0.10 0.00 0.12 0.00 0.00 56.93 57.44 2k8h s PHE 41 Cb -0.08 0.51 -0.05 0.00 -0.57 0.00 0.00 43.02 42.83 2k8h s PHE 41 CO 0.08 -0.81 0.16 0.50 -0.10 0.00 0.00 175.22 175.04 2k8h s ARG 42 N -3.57 4.11 0.17 0.44 3.52 -1.26 -1.37 118.95 120.99 2k8h s ARG 42 Ca 0.00 -0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.21 2k8h s ARG 42 Cb -0.01 -3.39 0.06 0.00 -1.56 0.00 0.00 34.95 30.05 2k8h s ARG 42 CO -0.11 0.35 0.65 -1.50 -0.81 0.00 0.00 175.30 173.88 2k8h s ILE 43 N 0.21 0.00 0.25 4.11 2.07 -0.46 -4.99 121.20 122.38 2k8h s ILE 43 Ca 0.10 -0.20 -0.31 0.00 -1.41 0.00 0.00 60.65 58.83 2k8h s ILE 43 Cb -0.11 -1.20 -0.12 0.00 0.13 0.00 0.00 42.46 41.15 2k8h s ILE 43 CO -0.00 0.00 1.61 0.29 -1.91 0.00 0.00 174.94 174.93 2k8h n LYS 44 N -0.39 2.60 -0.06 3.50 5.02 -1.25 -1.54 118.16 126.03 2k8h n LYS 44 Ca -0.14 0.93 0.24 0.00 -2.02 0.00 0.00 58.31 57.32 2k8h n LYS 44 Cb 0.64 -2.72 0.72 0.00 -0.02 0.00 0.00 35.03 33.65 2k8h n LYS 44 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2k8h h SER 45 N 5.44 0.00 -0.18 4.39 0.87 -1.84 0.24 113.55 122.47 2k8h h SER 45 Ca -0.45 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.16 2k8h h SER 45 Cb 1.23 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2k8h h SER 45 CO 0.85 0.00 0.23 -0.09 -0.53 0.00 0.00 176.83 177.28 2k8h h ARG 46 N 0.00 0.00 -1.47 2.24 9.65 -1.89 -3.38 114.38 119.54 2k8h h ARG 46 Ca 0.32 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 59.16 2k8h h ARG 46 Cb 1.35 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 29.68 2k8h h ARG 46 CO -0.00 0.00 -0.38 0.95 2.80 0.00 0.00 179.97 183.33 2k8h s THR 47 N -4.55 -0.79 0.35 0.20 -4.23 0.83 -4.91 115.64 102.54 2k8h s THR 47 Ca -0.05 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2k8h s THR 47 Cb 0.14 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 73.08 2k8h s THR 47 CO 0.51 -0.07 0.00 0.00 -0.54 0.00 0.00 174.62 174.52 2k8h n ALA 48 N 5.40 1.59 0.24 3.99 0.00 -1.25 -4.20 120.51 126.27 2k8h n ALA 48 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2k8h n ALA 48 Cb 0.51 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.54 2k8h n ALA 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2k8h h LEU 49 N 0.00 0.00 -0.01 0.00 7.12 -1.90 -0.40 115.31 120.12 2k8h h LEU 49 Ca 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 2k8h h LEU 49 Cb 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2k8h h LEU 49 CO 0.00 0.20 -0.01 0.11 -0.13 0.00 0.00 178.44 178.61 2k8h h LYS 50 N 0.00 0.03 0.00 1.25 1.79 -1.91 -1.09 116.57 116.64 2k8h h LYS 50 Ca -0.00 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 2k8h h LYS 50 Cb 0.44 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 2k8h h LYS 50 CO 0.03 0.49 -0.53 0.87 -1.08 0.00 0.00 179.45 179.23 2k8h h LYS 51 N -0.43 0.00 0.10 3.15 1.57 -1.85 -0.77 116.57 118.33 2k8h h LYS 51 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k8h h LYS 51 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2k8h h LYS 51 CO 0.00 0.53 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.29 2k8h h LEU 52 N 0.00 -0.11 -0.88 2.94 4.07 -1.05 -1.16 115.31 119.12 2k8h h LEU 52 Ca -0.01 -0.42 -0.12 0.00 0.08 0.00 0.00 57.88 57.42 2k8h h LEU 52 Cb 1.01 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.76 2k8h h LEU 52 CO 0.07 0.39 -0.49 0.16 -1.08 0.00 0.00 178.44 177.50 2k8h h ILE 53 N -0.65 1.34 -0.18 1.22 -0.00 -1.23 -0.56 117.51 117.46 2k8h h ILE 53 Ca -0.01 -1.70 -0.06 0.00 -0.00 0.00 0.00 64.86 63.09 2k8h h ILE 53 Cb 0.52 1.83 -0.00 0.00 -0.00 0.00 0.00 36.82 39.17 2k8h h ILE 53 CO 0.02 0.50 -0.11 0.44 -0.00 0.00 0.00 178.15 179.00 2k8h h ASP 54 N 0.14 0.41 -0.00 2.16 3.32 -1.17 -1.04 116.42 120.24 2k8h h ASP 54 Ca 0.01 -0.43 -0.18 0.00 0.02 0.00 0.00 57.03 56.44 2k8h h ASP 54 Cb 0.91 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2k8h h ASP 54 CO 0.07 0.75 -0.62 0.74 -1.72 0.00 0.00 179.24 178.47 2k8h h THR 55 N 0.06 1.32 -0.28 0.35 2.02 -1.17 -0.90 112.91 114.31 2k8h h THR 55 Ca 0.04 -1.88 -0.04 0.00 0.77 0.00 0.00 66.41 65.30 2k8h h THR 55 Cb 0.61 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2k8h h THR 55 CO 0.03 0.59 0.00 0.22 0.37 0.00 0.00 175.52 176.73 2k8h h TYR 56 N 0.45 0.53 -0.31 3.16 5.03 -1.10 0.25 116.97 124.98 2k8h h TYR 56 Ca -0.01 -0.09 -0.14 0.00 2.58 0.00 0.00 58.73 61.07 2k8h h TYR 56 Cb 1.19 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.33 2k8h h TYR 56 CO 0.06 0.63 -0.35 0.00 -1.32 0.00 0.00 178.16 177.18 2k8h h LYS 58 N 0.55 0.89 -0.19 0.00 1.57 -1.12 -0.60 116.57 117.67 2k8h h LYS 58 Ca 0.04 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 2k8h h LYS 58 Cb 0.93 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2k8h h LYS 58 CO 0.08 1.01 -0.02 0.87 -0.57 0.00 0.00 179.45 180.83 2k8h h LYS 59 N 0.72 0.34 0.00 3.15 1.79 -0.48 -2.65 116.57 119.44 2k8h h LYS 59 Ca 0.11 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k8h h LYS 59 Cb 0.71 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2k8h h LYS 59 CO 0.05 0.57 0.00 1.96 -1.08 0.00 0.00 179.45 180.95 2k8h h GLN 60 N 0.08 0.00 0.00 3.15 4.20 -1.18 -3.46 115.11 117.90 2k8h h GLN 60 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2k8h h GLN 60 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2k8h h GLN 60 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 2k8h n GLY 61 N -0.84 0.66 2.90 3.46 0.00 -0.93 -5.07 105.19 105.36 2k8h n GLY 61 Ca -0.02 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 2k8h n GLY 61 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k8h s ILE 62 N -2.00 -0.02 1.25 -0.61 -5.25 -0.28 -5.04 121.20 109.25 2k8h s ILE 62 Ca 0.00 0.08 -0.16 0.00 -0.99 0.00 0.00 60.65 59.58 2k8h s ILE 62 Cb 0.00 -0.12 0.29 0.00 2.95 0.00 0.00 42.46 45.58 2k8h s ILE 62 CO 0.00 0.03 0.81 -0.24 -1.79 0.00 0.00 174.94 173.75 2k8h n SER 63 N 3.50 -2.51 -2.44 4.36 2.88 -1.26 -4.14 113.62 114.00 2k8h n SER 63 Ca -0.18 -0.35 -0.23 0.00 -1.33 0.00 0.00 58.87 56.77 2k8h n SER 63 Cb 0.56 -1.13 -0.09 0.00 -0.75 0.00 0.00 64.21 62.80 2k8h n SER 63 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k8h n ARG 64 N -4.68 2.52 -1.13 -1.46 3.00 -1.26 -4.14 116.66 109.51 2k8h n ARG 64 Ca 0.04 -1.94 0.05 0.00 -0.01 0.00 0.00 57.85 55.99 2k8h n ARG 64 Cb 0.56 -2.17 0.10 0.00 0.00 0.00 0.00 32.46 30.95 2k8h n ARG 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2k8h n ASN 65 N 1.71 1.31 -1.18 0.55 6.94 -1.26 -4.76 115.26 118.57 2k8h n ASN 65 Ca 0.50 -2.81 -0.06 0.00 -0.02 0.00 0.00 54.58 52.19 2k8h n ASN 65 Cb 0.64 -0.40 -0.04 0.00 -2.36 0.00 0.00 39.78 37.62 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2k8h n SER 66 N -0.19 -1.00 -3.61 0.53 2.88 -1.26 -5.10 113.62 105.88 2k8h n SER 66 Ca 0.12 -1.93 -0.06 0.00 -1.33 0.00 0.00 58.87 55.67 2k8h n SER 66 Cb 0.95 0.33 -0.08 0.00 -0.75 0.00 0.00 64.21 64.67 2k8h n SER 66 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2k8h s VAL 67 N 0.02 -0.75 -0.38 2.46 -7.23 -1.26 -4.74 120.40 108.52 2k8h s VAL 67 Ca 0.01 0.10 -0.12 0.00 -1.81 0.00 0.00 61.98 60.16 2k8h s VAL 67 Cb 0.05 -0.78 0.02 0.00 0.56 0.00 0.00 36.38 36.24 2k8h s VAL 67 CO -0.02 0.03 0.22 -0.60 -0.31 0.00 0.00 175.10 174.43 2k8h s ARG 68 N 2.69 2.88 -0.45 4.82 6.06 -0.51 -4.89 118.95 129.55 2k8h s ARG 68 Ca -0.00 -1.05 -0.21 0.00 -2.50 0.00 0.00 55.73 51.97 2k8h s ARG 68 Cb -0.12 -3.78 0.03 0.00 0.06 0.00 0.00 34.95 31.14 2k8h s ARG 68 CO -0.15 -0.70 0.66 -0.06 -2.50 0.00 0.00 175.30 172.55 2k8h s PHE 69 N 1.58 3.05 0.12 5.12 0.40 -1.26 -1.38 117.98 125.61 2k8h s PHE 69 Ca 0.03 -0.09 0.08 0.00 -0.60 0.00 0.00 56.93 56.35 2k8h s PHE 69 Cb -0.19 -3.41 -0.04 0.00 0.51 0.00 0.00 43.02 39.89 2k8h s PHE 69 CO 0.07 -0.91 -0.11 -0.48 0.70 0.00 0.00 175.22 174.49 2k8h s LEU 70 N 2.87 2.97 -0.26 -0.37 0.05 -0.92 -0.98 118.68 122.04 2k8h s LEU 70 Ca 0.23 -0.45 0.01 0.00 0.05 0.00 0.00 54.13 53.96 2k8h s LEU 70 Cb -0.14 -1.75 0.07 0.00 -2.05 0.00 0.00 46.19 42.31 2k8h s LEU 70 CO 0.19 0.16 -0.02 0.12 -0.55 0.00 0.00 176.35 176.24 2k8h s PHE 71 N -1.29 2.48 -2.01 3.48 5.36 -0.43 -1.26 117.98 124.31 2k8h s PHE 71 Ca 0.21 -1.90 0.00 0.00 -0.96 0.00 0.00 56.93 54.28 2k8h s PHE 71 Cb -0.11 -1.75 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 2k8h s PHE 71 CO 0.13 -0.81 0.00 -3.47 -1.46 0.00 0.00 175.22 169.62 2k8h n ASP 72 N 4.64 -5.27 0.00 6.13 -0.08 -1.26 -1.10 116.55 119.62 2k8h n ASP 72 Ca -0.09 0.40 0.00 0.00 -1.51 0.00 0.00 54.79 53.59 2k8h n ASP 72 Cb 0.44 -4.62 0.00 0.00 2.34 0.00 0.00 41.12 39.28 2k8h n ASP 72 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k8h n GLY 73 N -0.48 1.10 3.16 0.27 0.00 -1.26 -5.01 105.19 102.96 2k8h n GLY 73 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2k8h n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8h s THR 74 N -2.00 4.39 -0.70 2.61 -4.23 -0.26 -5.03 115.64 110.42 2k8h s THR 74 Ca 0.00 -3.09 -0.26 0.00 -1.18 0.00 0.00 61.69 57.16 2k8h s THR 74 Cb 0.00 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 2k8h s THR 74 CO 0.00 -0.97 1.89 -2.16 -0.54 0.00 0.00 174.62 172.83 2k8h s PRO 75 N -0.38 2.60 -0.08 3.99 0.04 -1.26 -1.32 135.00 138.60 2k8h s PRO 75 Ca 0.20 0.34 -0.14 0.00 0.04 0.00 0.00 61.00 61.44 2k8h s PRO 75 Cb -0.15 -4.59 0.03 0.00 0.04 0.00 0.00 34.50 29.83 2k8h s PRO 75 CO -0.07 -2.93 0.35 0.42 0.04 0.00 0.00 177.00 174.81 2k8h s ILE 76 N 9.40 0.03 -0.60 0.56 1.01 -0.15 -4.93 121.20 126.51 2k8h s ILE 76 Ca 0.68 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 2k8h s ILE 76 Cb -0.11 -0.58 0.15 0.00 0.01 0.00 0.00 42.46 41.94 2k8h s ILE 76 CO 0.14 -0.12 0.39 -1.81 0.00 0.00 0.00 174.94 173.54 2k8h s ASP 77 N -0.57 4.95 -0.14 3.58 1.01 -1.26 -4.56 116.67 119.68 2k8h s ASP 77 Ca -0.07 -2.95 -0.34 0.00 0.71 0.00 0.00 52.55 49.91 2k8h s ASP 77 Cb -0.04 -1.79 0.14 0.00 1.01 0.00 0.00 42.92 42.25 2k8h s ASP 77 CO 0.03 -0.32 1.37 -1.61 0.21 0.00 0.00 175.17 174.84 2k8h s GLU 78 N -0.20 0.14 -0.39 8.23 0.41 -1.26 -5.00 118.70 120.63 2k8h s GLU 78 Ca 0.17 -0.07 0.05 0.00 -0.41 0.00 0.00 54.97 54.72 2k8h s GLU 78 Cb -0.22 0.05 0.49 0.00 -1.78 0.00 0.00 34.13 32.68 2k8h s GLU 78 CO -0.02 -0.06 1.55 -2.37 -0.49 0.00 0.00 175.26 173.87 2k8h n THR 79 N -0.32 2.84 0.00 3.63 5.66 -1.26 -4.46 114.28 120.37 2k8h n THR 79 Ca -0.04 -3.14 0.00 0.00 -3.05 0.00 0.00 64.05 57.82 2k8h n THR 79 Cb 0.61 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 2k8h n THR 79 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2k8h n LYS 80 N -0.97 0.00 0.21 1.09 3.00 -1.26 -4.60 118.16 115.62 2k8h n LYS 80 Ca 0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.64 2k8h n LYS 80 Cb 0.99 -0.55 -0.06 0.00 0.00 0.00 0.00 35.03 35.40 2k8h n LYS 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2k8h h THR 81 N 0.00 0.26 0.00 3.15 2.02 -1.98 -1.14 112.91 115.22 2k8h h THR 81 Ca 0.00 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 2k8h h THR 81 Cb 0.13 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2k8h h THR 81 CO 0.00 0.05 -0.42 1.55 0.37 0.00 0.00 175.52 177.08 2k8h h PRO 82 N -1.06 0.00 -0.05 6.66 0.13 -1.92 -0.97 132.00 134.80 2k8h h PRO 82 Ca -0.06 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.83 2k8h h PRO 82 Cb 0.54 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 2k8h h PRO 82 CO 0.10 0.42 -0.92 1.05 -0.23 0.00 0.00 178.00 178.41 2k8h h GLU 83 N 0.00 0.63 0.00 0.86 -0.00 -1.83 -0.72 114.58 113.52 2k8h h GLU 83 Ca -0.00 -0.61 -0.11 0.00 -0.00 0.00 0.00 59.36 58.63 2k8h h GLU 83 Cb 0.81 0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 29.70 2k8h h GLU 83 CO 0.05 1.22 -0.52 1.05 -0.00 0.00 0.00 179.01 180.81 2k8h h GLU 84 N 0.38 0.00 0.08 1.06 4.11 -1.11 -1.25 114.58 117.85 2k8h h GLU 84 Ca -0.09 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.06 2k8h h GLU 84 Cb 1.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 2k8h h GLU 84 CO 0.18 0.52 -1.40 1.25 0.07 0.00 0.00 179.01 179.63 2k8h h LEU 85 N 0.00 0.26 0.01 3.06 6.46 -1.19 -3.39 115.31 120.52 2k8h h LEU 85 Ca -0.01 -0.34 -0.12 0.00 -0.12 0.00 0.00 57.88 57.30 2k8h h LEU 85 Cb 1.40 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 2k8h h LEU 85 CO 0.07 1.28 -0.62 1.23 -0.62 0.00 0.00 178.44 179.78 2k8h h GLY 86 N 2.19 0.01 -5.60 3.75 0.00 -1.18 -3.34 103.07 98.91 2k8h h GLY 86 Ca -0.18 -0.03 -0.33 0.00 0.00 0.00 0.00 47.33 46.79 2k8h h GLY 86 CO 0.15 0.03 -0.75 1.03 0.00 0.00 0.00 176.54 177.00 2k8h n MET 87 N -4.50 -6.63 -3.79 4.80 2.81 -0.47 -4.95 117.12 104.38 2k8h n MET 87 Ca -0.21 0.83 -0.09 0.00 -1.81 0.00 0.00 57.70 56.42 2k8h n MET 87 Cb 0.59 -5.81 -0.04 0.00 -0.71 0.00 0.00 33.22 27.25 2k8h n MET 87 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k8h s GLU 88 N -5.42 1.39 -0.08 0.03 2.12 -1.26 -5.03 118.70 110.44 2k8h s GLU 88 Ca 0.05 -0.93 0.12 0.00 0.36 0.00 0.00 54.97 54.57 2k8h s GLU 88 Cb -0.02 0.51 0.47 0.00 0.26 0.00 0.00 34.13 35.35 2k8h s GLU 88 CO 0.72 -0.59 1.32 -0.40 -0.54 0.00 0.00 175.26 175.77 2k8h n ASP 89 N -0.34 3.32 -2.16 -1.70 5.68 -1.26 -4.13 116.55 115.96 2k8h n ASP 89 Ca -0.09 -2.31 -0.24 0.00 -0.50 0.00 0.00 54.79 51.64 2k8h n ASP 89 Cb 0.62 -0.48 0.01 0.00 -1.14 0.00 0.00 41.12 40.14 2k8h n ASP 89 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2k8h n ASP 90 N 0.63 4.80 -4.61 -1.12 8.00 -1.19 -1.08 116.55 121.98 2k8h n ASP 90 Ca 0.17 -3.71 -0.43 0.00 0.71 0.00 0.00 54.79 51.53 2k8h n ASP 90 Cb 0.64 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k8h s ASP 91 N -3.58 6.27 -0.05 -2.24 -1.08 -0.64 -4.90 116.67 110.45 2k8h s ASP 91 Ca 0.50 1.24 0.00 0.00 -0.52 0.00 0.00 52.55 53.77 2k8h s ASP 91 Cb 0.41 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 39.30 2k8h s ASP 91 CO -0.03 -1.41 -0.02 0.68 0.52 0.00 0.00 175.17 174.92 2k8h s VAL 92 N 5.61 4.10 -0.06 1.11 -7.23 -1.26 -1.32 120.40 121.35 2k8h s VAL 92 Ca 0.69 -0.44 -0.02 0.00 -1.81 0.00 0.00 61.98 60.40 2k8h s VAL 92 Cb -0.20 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.02 2k8h s VAL 92 CO 0.31 0.52 0.03 0.27 -0.31 0.00 0.00 175.10 175.91 2k8h s ILE 93 N -0.94 0.17 -0.26 -0.62 -4.36 -0.56 -4.20 121.20 110.43 2k8h s ILE 93 Ca 0.15 0.25 -0.09 0.00 -0.26 0.00 0.00 60.65 60.70 2k8h s ILE 93 Cb -0.11 -0.37 -0.04 0.00 1.25 0.00 0.00 42.46 43.19 2k8h s ILE 93 CO 0.05 0.23 0.14 -0.62 0.24 0.00 0.00 174.94 174.97 2k8h s ASP 94 N 2.05 5.70 -0.35 4.36 -1.08 -0.39 -1.34 116.67 125.62 2k8h s ASP 94 Ca 0.05 -0.06 -0.23 0.00 -0.52 0.00 0.00 52.55 51.79 2k8h s ASP 94 Cb -0.12 -2.04 0.01 0.00 -1.46 0.00 0.00 42.92 39.31 2k8h s ASP 94 CO -0.04 -0.01 0.79 0.00 0.52 0.00 0.00 175.17 176.43 2k8h s ALA 95 N 1.53 3.45 0.18 3.66 0.00 -0.47 -2.18 121.76 127.93 2k8h s ALA 95 Ca 0.06 -0.60 0.10 0.00 0.00 0.00 0.00 51.96 51.52 2k8h s ALA 95 Cb -0.15 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2k8h s ALA 95 CO 0.07 -1.44 -0.16 1.41 0.00 0.00 0.00 175.76 175.64 2k8h s MET 96 N 3.10 1.84 -0.14 0.00 1.75 -0.48 -3.95 119.30 121.41 2k8h s MET 96 Ca 0.32 -1.36 -0.09 0.00 -1.25 0.00 0.00 55.69 53.31 2k8h s MET 96 Cb -0.13 -2.04 -0.04 0.00 2.84 0.00 0.00 34.83 35.46 2k8h s MET 96 CO 0.16 0.42 0.16 0.14 -0.65 0.00 0.00 175.02 175.26 2k8h s VAL 97 N -1.66 5.44 -1.24 10.11 -7.23 -1.26 -1.42 120.40 123.14 2k8h s VAL 97 Ca 0.23 0.26 -0.12 0.00 -1.81 0.00 0.00 61.98 60.54 2k8h s VAL 97 Cb -0.09 -3.46 0.17 0.00 0.56 0.00 0.00 36.38 33.57 2k8h s VAL 97 CO 0.13 0.54 1.61 -0.62 -0.31 0.00 0.00 175.10 176.45 2k8h n GLU 98 N 2.63 3.47 -1.05 4.82 1.02 -1.26 -4.95 120.64 125.32 2k8h n GLU 98 Ca -0.18 -3.72 0.14 0.00 -0.02 0.00 0.00 57.16 53.38 2k8h n GLU 98 Cb 0.54 -2.99 -0.04 0.00 -0.02 0.00 0.00 31.44 28.93 2k8h n GLU 98 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2k8h n GLN 99 N 4.93 -2.12 -2.52 3.49 7.27 -1.26 -4.80 117.38 122.37 2k8h n GLN 99 Ca 0.38 1.40 -0.35 0.00 0.07 0.00 0.00 57.00 58.50 2k8h n GLN 99 Cb 0.40 -2.58 -0.03 0.00 2.41 0.00 0.00 30.24 30.43 2k8h n GLN 99 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2k8h s THR 100 N -1.73 3.73 0.00 1.69 -1.32 -1.26 -4.89 115.64 111.86 2k8h s THR 100 Ca 0.00 1.13 0.00 0.00 -1.21 0.00 0.00 61.69 61.61 2k8h s THR 100 Cb 0.00 -3.49 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2k8h s THR 100 CO 0.00 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 2k8h n GLY 101 N -0.09 0.00 0.00 6.08 0.00 -1.26 -5.26 105.19 104.66 2k8h n GLY 101 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93