#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8h n SER 2 N 0.00 0.00 -2.29 6.12 7.64 -1.26 -5.00 113.62 118.83 2k8h n SER 2 Ca 0.00 0.86 -0.02 0.00 1.01 0.00 0.00 58.87 60.71 2k8h n SER 2 Cb 0.00 -0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 62.82 2k8h n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k8h n ASN 3 N -1.78 -4.54 -2.38 6.43 3.02 -1.26 -5.09 115.26 109.67 2k8h n ASN 3 Ca 0.00 1.38 -0.11 0.00 -0.03 0.00 0.00 54.58 55.81 2k8h n ASN 3 Cb 0.00 -4.63 -0.04 0.00 -0.61 0.00 0.00 39.78 34.50 2k8h n ASN 3 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2k8h n ASN 4 N 1.51 -0.60 0.00 6.41 6.94 -1.26 -5.16 115.26 123.11 2k8h n ASN 4 Ca -0.18 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.04 2k8h n ASN 4 Cb 0.28 1.26 0.00 0.00 -2.36 0.00 0.00 39.78 38.97 2k8h n ASN 4 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k8h n GLY 5 N -0.39 2.30 0.00 4.83 0.00 -1.26 -5.15 105.19 105.52 2k8h n GLY 5 Ca 0.03 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.20 3.42 3.34 -0.02 0.00 -1.26 -5.18 105.19 105.70 2k8h n GLY 6 Ca 0.00 -0.47 -0.18 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 -2.67 1.32 1.03 1.61 8.01 -1.26 -5.15 118.70 121.60 2k8h s GLU 7 Ca 0.00 -1.60 -0.13 0.00 0.01 0.00 0.00 54.97 53.25 2k8h s GLU 7 Cb 0.00 -1.07 0.21 0.00 -4.31 0.00 0.00 34.13 28.96 2k8h s GLU 7 CO 0.00 0.16 1.09 -1.25 0.01 0.00 0.00 175.26 175.27 2k8h s PRO 8 N -3.67 0.16 -0.28 0.39 0.04 -1.26 -5.08 135.00 125.30 2k8h s PRO 8 Ca 0.23 0.44 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 2k8h s PRO 8 Cb 0.00 -1.71 0.11 0.00 0.04 0.00 0.00 34.50 32.93 2k8h s PRO 8 CO 0.07 -2.89 0.81 0.45 0.04 0.00 0.00 177.00 175.48 2k8h s SER 9 N -3.48 -0.75 -0.08 6.66 0.15 -1.26 -5.09 113.70 109.85 2k8h s SER 9 Ca 0.66 1.22 -0.07 0.00 0.70 0.00 0.00 55.95 58.46 2k8h s SER 9 Cb -0.18 1.30 -0.02 0.00 -1.71 0.00 0.00 66.02 65.41 2k8h s SER 9 CO 0.58 -0.20 -0.13 -3.20 1.20 0.00 0.00 173.24 171.49 2k8h n ASN 10 N 3.86 0.91 -2.53 5.45 2.85 -1.26 -5.09 115.26 119.45 2k8h n ASN 10 Ca -0.19 0.27 -0.03 0.00 -0.11 0.00 0.00 54.58 54.53 2k8h n ASN 10 Cb 0.58 -0.64 -0.03 0.00 1.24 0.00 0.00 39.78 40.93 2k8h n ASN 10 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k8h n ASN 11 N -3.43 -3.23 0.10 1.20 2.85 -1.26 -4.95 115.26 106.54 2k8h n ASN 11 Ca -0.05 1.25 -0.17 0.00 -0.11 0.00 0.00 54.58 55.50 2k8h n ASN 11 Cb 0.20 -4.89 -0.12 0.00 1.24 0.00 0.00 39.78 36.21 2k8h n ASN 11 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 2k8h h GLY 12 N 3.32 0.43 -0.02 8.20 0.00 -1.99 -3.48 103.07 109.53 2k8h h GLY 12 Ca -0.31 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.04 2k8h h GLY 12 CO 0.04 0.85 0.00 0.61 0.00 0.00 0.00 176.54 178.05 2k8h n GLY 13 N 1.40 0.67 3.97 4.60 0.00 -1.26 -5.12 105.19 109.45 2k8h n GLY 13 Ca -0.10 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 2k8h n GLY 13 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8h s GLU 14 N 0.59 3.00 0.00 1.61 2.02 -1.26 -5.06 118.70 119.60 2k8h s GLU 14 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.21 2k8h s GLU 14 Cb 0.00 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.56 2k8h s GLU 14 CO 0.00 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2k8h n GLY 15 N -1.92 2.67 3.65 -1.39 0.00 -1.26 -4.35 105.19 102.58 2k8h n GLY 15 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.76 2k8h n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h s ALA 16 N 0.00 -2.56 -0.17 4.61 0.00 -1.26 -5.04 121.76 117.34 2k8h s ALA 16 Ca 0.00 1.94 -0.34 0.00 0.00 0.00 0.00 51.96 53.56 2k8h s ALA 16 Cb 0.00 -1.93 0.14 0.00 0.00 0.00 0.00 23.12 21.32 2k8h s ALA 16 CO 0.00 -0.28 1.16 -2.00 0.00 0.00 0.00 175.76 174.65 2k8h s GLU 17 N 0.86 0.38 0.00 0.00 2.56 -1.26 -4.98 118.70 116.26 2k8h s GLU 17 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.97 54.80 2k8h s GLU 17 Cb -0.03 0.17 0.00 0.00 2.00 0.00 0.00 34.13 36.28 2k8h s GLU 17 CO -0.11 -0.16 0.00 0.41 -0.56 0.00 0.00 175.26 174.84 2k8h n GLY 18 N -0.03 5.46 2.12 -1.50 0.00 -1.26 -5.09 105.19 104.89 2k8h n GLY 18 Ca -0.01 -1.35 -0.01 0.00 0.00 0.00 0.00 46.02 44.65 2k8h n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8h n THR 19 N 0.00-11.08 -3.12 2.61 -1.04 -1.26 -4.99 114.28 95.40 2k8h n THR 19 Ca 0.00 2.47 -0.24 0.00 -2.04 0.00 0.00 64.05 64.25 2k8h n THR 19 Cb 0.00 -5.55 -0.05 0.00 -1.82 0.00 0.00 70.33 62.91 2k8h n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k8h s LYS 21 N -2.71 0.09 0.00 0.00 2.20 -1.26 -5.18 119.74 112.88 2k8h s LYS 21 Ca 0.43 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 2k8h s LYS 21 Cb 0.27 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 2k8h s LYS 21 CO -0.10 -0.08 0.00 -0.85 -0.36 0.00 0.00 175.35 173.96 2k8h n GLU 22 N 5.26 0.00 0.00 4.03 0.28 -1.26 -5.17 120.64 123.78 2k8h n GLU 22 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 2k8h n GLU 22 Cb 0.54 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.41 2k8h n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2k8h n GLU 23 N 0.00 -1.80 -4.35 3.44 2.13 -1.26 -5.00 120.64 113.80 2k8h n GLU 23 Ca 0.00 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.48 2k8h n GLU 23 Cb 0.00 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.59 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 -0.97 3.92 0.34 6.31 -4.23 -1.26 -5.03 115.64 114.72 2k8h s THR 24 Ca 0.00 -0.34 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 2k8h s THR 24 Cb 0.00 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 2k8h s THR 24 CO 0.00 0.48 0.13 0.00 -0.54 0.00 0.00 174.62 174.69 2k8h s ALA 25 N 0.44 3.46 -0.13 3.99 0.00 -1.26 -5.05 121.76 123.22 2k8h s ALA 25 Ca -0.03 -1.84 -0.04 0.00 0.00 0.00 0.00 51.96 50.05 2k8h s ALA 25 Cb -0.14 -0.69 0.05 0.00 0.00 0.00 0.00 23.12 22.33 2k8h s ALA 25 CO 0.03 0.04 0.07 -1.17 0.00 0.00 0.00 175.76 174.73 2k8h s LEU 26 N -3.83 0.39 -0.08 0.00 2.96 -1.26 -3.81 118.68 113.05 2k8h s LEU 26 Ca 0.37 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2k8h s LEU 26 Cb -0.02 -0.26 0.02 0.00 0.50 0.00 0.00 46.19 46.43 2k8h s LEU 26 CO 0.22 -0.31 0.24 0.68 -1.32 0.00 0.00 176.35 175.86 2k8h s VAL 27 N 2.11 0.01 -0.10 1.68 -7.23 -0.63 -4.75 120.40 111.48 2k8h s VAL 27 Ca 0.03 -0.09 -0.10 0.00 -1.81 0.00 0.00 61.98 60.01 2k8h s VAL 27 Cb -0.15 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 2k8h s VAL 27 CO -0.07 -0.05 0.23 0.00 -0.31 0.00 0.00 175.10 174.90 2k8h s ALA 28 N -0.09 3.77 0.01 1.32 0.00 -0.24 -1.38 121.76 125.15 2k8h s ALA 28 Ca -0.02 -0.51 0.07 0.00 0.00 0.00 0.00 51.96 51.50 2k8h s ALA 28 Cb -0.02 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.91 2k8h s ALA 28 CO 0.01 0.45 -0.21 0.08 0.00 0.00 0.00 175.76 176.08 2k8h s VAL 29 N -0.66 1.71 -0.15 0.00 1.01 -0.45 -1.63 120.40 120.23 2k8h s VAL 29 Ca 0.17 -1.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 2k8h s VAL 29 Cb -0.13 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.83 2k8h s VAL 29 CO 0.06 0.36 -0.08 -0.75 0.00 0.00 0.00 175.10 174.69 2k8h s LYS 30 N -0.82 1.66 -0.27 2.72 2.20 -0.31 -1.41 119.74 123.50 2k8h s LYS 30 Ca 0.08 -0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 2k8h s LYS 30 Cb -0.09 -1.95 -0.05 0.00 -1.51 0.00 0.00 37.83 34.23 2k8h s LYS 30 CO 0.00 -0.36 0.18 0.54 -0.36 0.00 0.00 175.35 175.35 2k8h s VAL 31 N 1.60 5.25 0.12 4.02 0.11 -0.44 -1.44 120.40 129.62 2k8h s VAL 31 Ca 0.02 0.15 0.08 0.00 -2.93 0.00 0.00 61.98 59.30 2k8h s VAL 31 Cb -0.14 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.18 2k8h s VAL 31 CO -0.08 0.27 -0.12 0.68 -3.33 0.00 0.00 175.10 172.52 2k8h s VAL 32 N 1.65 3.22 0.17 2.04 -7.23 -0.30 -1.38 120.40 118.56 2k8h s VAL 32 Ca 0.07 -1.38 0.10 0.00 -1.81 0.00 0.00 61.98 58.96 2k8h s VAL 32 Cb -0.16 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2k8h s VAL 32 CO 0.10 0.08 -0.17 0.20 -0.31 0.00 0.00 175.10 174.99 2k8h s ASN 33 N -2.28 3.85 0.60 4.85 0.01 -0.71 -1.49 114.94 119.77 2k8h s ASN 33 Ca 0.21 -0.68 0.30 0.00 -0.71 0.00 0.00 52.86 51.98 2k8h s ASN 33 Cb -0.11 -0.50 1.70 0.00 0.41 0.00 0.00 41.25 42.75 2k8h s ASN 33 CO 0.13 0.13 2.08 0.00 -1.51 0.00 0.00 177.10 177.93 2k8h h ALA 34 N 3.25 1.73 0.00 0.60 0.00 -1.89 0.24 119.26 123.19 2k8h h ALA 34 Ca -0.48 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 2k8h h ALA 34 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2k8h h ALA 34 CO 0.49 -0.32 -0.43 -0.44 0.00 0.00 0.00 179.25 178.55 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 3.32 -1.94 -3.47 116.42 114.32 2k8h h ASP 35 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2k8h h ASP 35 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2k8h h ASP 35 CO -0.00 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 178.56 2k8h n GLY 36 N 0.83 3.28 3.69 2.75 0.00 0.86 -5.08 105.19 111.51 2k8h n GLY 36 Ca 0.01 -1.02 -0.52 0.00 0.00 0.00 0.00 46.02 44.49 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 0.35 -2.55 4.61 0.00 -1.26 -4.49 120.51 117.17 2k8h n ALA 37 Ca 0.00 0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.71 2k8h n ALA 37 Cb 0.00 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.00 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 3.38 0.52 -0.14 0.00 -1.05 -1.26 -1.74 118.70 118.42 2k8h s GLU 38 Ca 0.93 -0.90 -0.08 0.00 -0.15 0.00 0.00 54.97 54.78 2k8h s GLU 38 Cb -0.86 0.19 0.05 0.00 -0.44 0.00 0.00 34.13 33.07 2k8h s GLU 38 CO 0.56 -0.11 0.34 0.00 0.95 0.00 0.00 175.26 177.00 2k8h s MET 39 N -2.81 0.32 0.07 -4.83 0.23 -0.48 -4.99 119.30 106.82 2k8h s MET 39 Ca -0.03 0.64 0.08 0.00 -1.03 0.00 0.00 55.69 55.35 2k8h s MET 39 Cb -0.00 -0.03 -0.03 0.00 -1.53 0.00 0.00 34.83 33.24 2k8h s MET 39 CO -0.06 -0.14 -0.22 -0.59 -2.03 0.00 0.00 175.02 171.98 2k8h s PHE 40 N 1.16 1.95 0.16 3.16 -0.71 -1.26 -1.32 117.98 121.11 2k8h s PHE 40 Ca -0.08 -0.39 -0.22 0.00 -1.04 0.00 0.00 56.93 55.20 2k8h s PHE 40 Cb -0.08 -1.13 0.07 0.00 -1.21 0.00 0.00 43.02 40.67 2k8h s PHE 40 CO -0.09 0.15 0.58 0.12 -1.34 0.00 0.00 175.22 174.64 2k8h s PHE 41 N -0.92 -0.51 -0.02 3.49 2.19 -0.50 -4.99 117.98 116.73 2k8h s PHE 41 Ca 0.09 0.28 -0.17 0.00 0.33 0.00 0.00 56.93 57.46 2k8h s PHE 41 Cb -0.09 0.53 -0.05 0.00 -1.31 0.00 0.00 43.02 42.09 2k8h s PHE 41 CO 0.03 -0.84 0.46 -0.98 1.83 0.00 0.00 175.22 175.73 2k8h s ARG 42 N -3.76 4.11 0.15 10.12 1.70 -1.26 -1.34 118.95 128.67 2k8h s ARG 42 Ca 0.01 0.50 -0.23 0.00 -0.47 0.00 0.00 55.73 55.53 2k8h s ARG 42 Cb -0.01 -3.29 0.07 0.00 -0.57 0.00 0.00 34.95 31.16 2k8h s ARG 42 CO -0.13 0.52 0.62 -1.50 -1.08 0.00 0.00 175.30 173.73 2k8h s ILE 43 N -0.58 0.00 0.32 4.99 2.07 -0.48 -4.98 121.20 122.54 2k8h s ILE 43 Ca 0.26 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.20 2k8h s ILE 43 Cb -0.17 -1.00 -0.11 0.00 0.13 0.00 0.00 42.46 41.31 2k8h s ILE 43 CO 0.14 0.00 1.57 -0.54 -1.91 0.00 0.00 174.94 174.19 2k8h s LYS 44 N -3.69 4.12 0.59 3.50 -0.14 -1.25 -1.61 119.74 121.26 2k8h s LYS 44 Ca 0.01 2.58 0.29 0.00 -1.36 0.00 0.00 55.97 57.49 2k8h s LYS 44 Cb -0.01 -3.01 1.63 0.00 -1.68 0.00 0.00 37.83 34.76 2k8h s LYS 44 CO -0.13 -0.61 2.05 0.66 -0.76 0.00 0.00 175.35 176.57 2k8h h SER 45 N 4.34 0.00 0.71 2.83 4.64 -1.85 0.29 113.55 124.51 2k8h h SER 45 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2k8h h SER 45 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2k8h h SER 45 CO 0.75 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.74 2k8h h ARG 46 N 0.00 0.00 -2.26 4.77 2.47 -1.89 -3.41 114.38 114.06 2k8h h ARG 46 Ca 0.11 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.69 2k8h h ARG 46 Cb 0.65 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 28.67 2k8h h ARG 46 CO -0.00 0.00 -0.45 0.95 0.56 0.00 0.00 179.97 181.03 2k8h s THR 47 N -3.81 -0.59 0.00 2.04 -4.23 0.10 -4.91 115.64 104.24 2k8h s THR 47 Ca -0.01 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2k8h s THR 47 Cb 0.10 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.23 2k8h s THR 47 CO 0.50 -0.03 0.00 0.00 -0.54 0.00 0.00 174.62 174.55 2k8h n ALA 48 N 5.37 0.80 0.26 3.99 0.00 -1.26 -3.91 120.51 125.76 2k8h n ALA 48 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2k8h n ALA 48 Cb 0.50 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.66 2k8h n ALA 48 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2k8h h LEU 49 N 0.00 0.00 0.17 0.00 -0.00 -1.87 -0.30 115.31 113.31 2k8h h LEU 49 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2k8h h LEU 49 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2k8h h LEU 49 CO 0.00 0.12 -0.08 0.11 -0.00 0.00 0.00 178.44 178.59 2k8h h LYS 50 N 0.00 -0.22 0.00 1.13 1.79 -1.91 -1.10 116.57 116.26 2k8h h LYS 50 Ca -0.00 0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2k8h h LYS 50 Cb 0.34 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 2k8h h LYS 50 CO 0.02 0.16 -0.51 -0.22 -1.08 0.00 0.00 179.45 177.81 2k8h h LYS 51 N -0.65 0.00 0.18 3.15 3.64 -1.87 -0.90 116.57 120.13 2k8h h LYS 51 Ca -0.02 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2k8h h LYS 51 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2k8h h LYS 51 CO 0.04 0.51 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.57 2k8h h LEU 52 N 0.00 -0.21 -0.88 5.20 -0.00 -1.05 0.44 115.31 118.81 2k8h h LEU 52 Ca -0.01 -0.29 -0.12 0.00 -0.00 0.00 0.00 57.88 57.47 2k8h h LEU 52 Cb 0.98 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 2k8h h LEU 52 CO 0.07 0.22 -0.49 0.16 -0.00 0.00 0.00 178.44 178.40 2k8h h ILE 53 N -0.68 1.34 -0.24 1.22 -0.00 -1.23 -0.94 117.51 116.99 2k8h h ILE 53 Ca -0.03 -1.70 -0.19 0.00 -0.00 0.00 0.00 64.86 62.95 2k8h h ILE 53 Cb 0.48 1.83 0.00 0.00 -0.00 0.00 0.00 36.82 39.14 2k8h h ILE 53 CO 0.04 0.50 -0.61 -0.78 -0.00 0.00 0.00 178.15 177.30 2k8h h ASP 54 N 0.14 0.92 -0.02 2.16 3.58 -1.17 -0.99 116.42 121.03 2k8h h ASP 54 Ca 0.01 -0.52 -0.23 0.00 0.42 0.00 0.00 57.03 56.71 2k8h h ASP 54 Cb 0.91 -0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.71 2k8h h ASP 54 CO 0.07 1.31 -0.85 0.74 -2.88 0.00 0.00 179.24 177.63 2k8h h THR 55 N 0.60 1.30 -0.28 2.25 2.02 -0.81 -0.94 112.91 117.06 2k8h h THR 55 Ca -0.00 -2.10 -0.11 0.00 0.77 0.00 0.00 66.41 64.97 2k8h h THR 55 Cb 1.21 2.13 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 2k8h h THR 55 CO 0.13 0.65 -0.24 0.22 0.37 0.00 0.00 175.52 176.65 2k8h h TYR 56 N 0.45 0.78 -0.29 3.16 5.03 -1.20 0.10 116.97 125.00 2k8h h TYR 56 Ca -0.07 -0.23 -0.14 0.00 2.58 0.00 0.00 58.73 60.88 2k8h h TYR 56 Cb 1.48 -0.17 -0.00 0.00 1.55 0.00 0.00 36.73 39.59 2k8h h TYR 56 CO 0.08 0.95 -0.35 0.00 -1.32 0.00 0.00 178.16 177.52 2k8h h LYS 58 N 0.50 0.94 -0.16 0.00 3.64 -1.18 0.30 116.57 120.62 2k8h h LYS 58 Ca 0.04 -0.46 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2k8h h LYS 58 Cb 0.93 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2k8h h LYS 58 CO 0.08 1.12 -0.02 -0.22 -2.27 0.00 0.00 179.45 178.14 2k8h h LYS 59 N 0.77 0.30 0.00 1.90 3.64 -0.79 -2.68 116.57 119.70 2k8h h LYS 59 Ca 0.08 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2k8h h LYS 59 Cb 0.89 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2k8h h LYS 59 CO 0.08 0.55 0.00 0.37 -2.27 0.00 0.00 179.45 178.18 2k8h h GLN 60 N 0.02 0.00 -0.14 1.90 4.15 -1.19 -3.46 115.11 116.39 2k8h h GLN 60 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2k8h h GLN 60 Cb 0.42 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2k8h h GLN 60 CO 0.01 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.32 2k8h n GLY 61 N -0.66 0.75 2.85 2.39 0.00 -0.89 -5.07 105.19 104.55 2k8h n GLY 61 Ca -0.01 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.14 -0.02 1.25 -0.61 -4.36 0.05 -5.03 121.20 110.33 2k8h s ILE 62 Ca 0.00 0.08 -0.16 0.00 -0.26 0.00 0.00 60.65 60.31 2k8h s ILE 62 Cb 0.00 -0.05 0.29 0.00 1.25 0.00 0.00 42.46 43.95 2k8h s ILE 62 CO 0.00 0.03 0.82 -0.24 0.24 0.00 0.00 174.94 175.79 2k8h n SER 63 N 3.49 -2.54 -2.45 4.36 2.88 -1.26 -4.10 113.62 113.99 2k8h n SER 63 Ca -0.18 -0.37 -0.23 0.00 -1.33 0.00 0.00 58.87 56.76 2k8h n SER 63 Cb 0.56 -1.13 -0.09 0.00 -0.75 0.00 0.00 64.21 62.79 2k8h n SER 63 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2k8h n ARG 64 N -4.73 2.54 -2.65 -1.46 -4.01 -1.26 -4.26 116.66 100.83 2k8h n ARG 64 Ca 0.05 -1.91 -0.07 0.00 -1.04 0.00 0.00 57.85 54.87 2k8h n ARG 64 Cb 0.56 -2.18 0.04 0.00 -3.04 0.00 0.00 32.46 27.83 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2k8h n ASN 65 N 1.79 2.26 -1.60 2.89 4.13 -1.26 -4.81 115.26 118.66 2k8h n ASN 65 Ca 0.50 -2.55 -0.01 0.00 1.68 0.00 0.00 54.58 54.20 2k8h n ASN 65 Cb 0.64 -0.47 0.03 0.00 -1.54 0.00 0.00 39.78 38.44 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2k8h n SER 66 N -0.49 -0.56 -3.66 6.41 2.88 -1.26 -5.13 113.62 111.82 2k8h n SER 66 Ca 0.15 -1.31 -0.06 0.00 -1.33 0.00 0.00 58.87 56.32 2k8h n SER 66 Cb 0.82 0.24 -0.08 0.00 -0.75 0.00 0.00 64.21 64.45 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 0.04 -0.66 -0.39 2.46 -7.23 -1.26 -4.76 120.40 108.60 2k8h s VAL 67 Ca 0.03 0.10 -0.17 0.00 -1.81 0.00 0.00 61.98 60.12 2k8h s VAL 67 Cb 0.13 -0.79 0.01 0.00 0.56 0.00 0.00 36.38 36.29 2k8h s VAL 67 CO -0.04 0.04 0.45 -0.13 -0.31 0.00 0.00 175.10 175.11 2k8h s ARG 68 N 2.53 3.31 -0.48 4.82 3.00 -0.51 -4.91 118.95 126.71 2k8h s ARG 68 Ca -0.04 -0.55 -0.16 0.00 0.00 0.00 0.00 55.73 54.98 2k8h s ARG 68 Cb -0.11 -3.90 0.07 0.00 0.00 0.00 0.00 34.95 31.01 2k8h s ARG 68 CO -0.15 -0.76 0.41 -0.06 0.00 0.00 0.00 175.30 174.75 2k8h s PHE 69 N 2.21 3.23 0.23 -0.53 0.08 -1.26 -1.41 117.98 120.53 2k8h s PHE 69 Ca 0.14 -0.92 0.11 0.00 0.12 0.00 0.00 56.93 56.38 2k8h s PHE 69 Cb -0.16 -3.22 -0.05 0.00 -0.57 0.00 0.00 43.02 39.02 2k8h s PHE 69 CO 0.14 -0.82 -0.17 -0.48 -0.10 0.00 0.00 175.22 173.78 2k8h s LEU 70 N 1.70 2.67 -0.31 -0.37 0.05 -1.07 -0.88 118.68 120.47 2k8h s LEU 70 Ca 0.05 -0.84 0.01 0.00 0.05 0.00 0.00 54.13 53.40 2k8h s LEU 70 Cb -0.24 -1.30 0.10 0.00 -2.05 0.00 0.00 46.19 42.69 2k8h s LEU 70 CO 0.07 0.08 0.07 0.12 -0.55 0.00 0.00 176.35 176.13 2k8h s PHE 71 N -2.01 2.48 -1.32 3.48 5.36 -0.14 -1.08 117.98 124.75 2k8h s PHE 71 Ca 0.26 -2.17 0.00 0.00 -0.96 0.00 0.00 56.93 54.06 2k8h s PHE 71 Cb -0.07 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 2k8h s PHE 71 CO 0.14 -0.89 0.00 -3.47 -1.46 0.00 0.00 175.22 169.54 2k8h n ASP 72 N 4.63 -4.51 0.00 6.13 -0.08 -1.26 -0.96 116.55 120.49 2k8h n ASP 72 Ca -0.01 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2k8h n ASP 72 Cb 0.42 -3.82 0.00 0.00 2.34 0.00 0.00 41.12 40.06 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 -0.82 1.05 3.15 0.27 0.00 -1.26 -5.06 105.19 102.51 2k8h n GLY 73 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2k8h n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8h s THR 74 N -2.00 4.42 -0.78 2.61 2.01 -0.14 -5.03 115.64 116.74 2k8h s THR 74 Ca 0.00 -3.40 -0.25 0.00 0.31 0.00 0.00 61.69 58.35 2k8h s THR 74 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2k8h s THR 74 CO 0.00 -1.02 1.91 -2.16 -0.69 0.00 0.00 174.62 172.66 2k8h s PRO 75 N -0.78 2.58 -0.00 4.92 0.04 -1.26 -0.96 135.00 139.54 2k8h s PRO 75 Ca 0.23 0.08 -0.10 0.00 0.04 0.00 0.00 61.00 61.26 2k8h s PRO 75 Cb -0.12 -4.78 0.01 0.00 0.04 0.00 0.00 34.50 29.65 2k8h s PRO 75 CO -0.09 -3.11 0.20 0.42 0.04 0.00 0.00 177.00 174.46 2k8h s ILE 76 N 9.66 0.08 -0.61 0.56 1.01 -0.06 -4.34 121.20 127.51 2k8h s ILE 76 Ca 0.69 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.71 2k8h s ILE 76 Cb -0.09 -0.52 0.15 0.00 0.01 0.00 0.00 42.46 42.02 2k8h s ILE 76 CO 0.08 -0.34 0.40 -0.62 0.00 0.00 0.00 174.94 174.46 2k8h s ASP 77 N -1.40 4.98 -0.19 3.58 2.15 -1.26 -4.52 116.67 120.01 2k8h s ASP 77 Ca -0.14 -2.94 -0.36 0.00 0.43 0.00 0.00 52.55 49.55 2k8h s ASP 77 Cb -0.07 -1.80 0.15 0.00 -0.30 0.00 0.00 42.92 40.91 2k8h s ASP 77 CO 0.02 -0.32 1.36 -1.61 -0.17 0.00 0.00 175.17 174.45 2k8h s GLU 78 N -0.18 0.11 0.00 4.34 2.02 -1.26 -4.85 118.70 118.87 2k8h s GLU 78 Ca 0.17 -0.05 0.20 0.00 0.02 0.00 0.00 54.97 55.31 2k8h s GLU 78 Cb -0.22 0.04 0.21 0.00 0.10 0.00 0.00 34.13 34.27 2k8h s GLU 78 CO -0.03 -0.05 1.18 -2.37 0.02 0.00 0.00 175.26 174.01 2k8h n THR 79 N -0.21 0.15 -0.08 3.63 5.66 -1.26 -4.38 114.28 117.79 2k8h n THR 79 Ca -0.01 -0.57 -0.09 0.00 -3.05 0.00 0.00 64.05 60.32 2k8h n THR 79 Cb 0.59 1.28 -0.09 0.00 -1.55 0.00 0.00 70.33 70.56 2k8h n THR 79 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2k8h n LYS 80 N 1.15 1.08 0.52 1.09 4.76 -1.26 -3.95 118.16 121.55 2k8h n LYS 80 Ca 0.13 0.05 -0.21 0.00 -2.87 0.00 0.00 58.31 55.41 2k8h n LYS 80 Cb 0.51 -1.35 -0.10 0.00 -1.84 0.00 0.00 35.03 32.25 2k8h n LYS 80 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2k8h h THR 81 N 0.00 0.00 0.00 -0.18 1.35 -1.94 -1.26 112.91 110.88 2k8h h THR 81 Ca -0.38 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.43 2k8h h THR 81 Cb 1.72 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 2k8h h THR 81 CO -0.02 0.00 -0.25 1.55 -0.25 0.00 0.00 175.52 176.55 2k8h h PRO 82 N -1.34 0.00 0.11 4.72 0.13 -1.84 -0.96 132.00 132.83 2k8h h PRO 82 Ca -0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2k8h h PRO 82 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2k8h h PRO 82 CO 0.21 0.25 -0.05 1.49 -0.23 0.00 0.00 178.00 179.67 2k8h h GLU 83 N 0.00 -0.14 0.00 0.86 4.57 -1.65 -0.48 114.58 117.73 2k8h h GLU 83 Ca -0.00 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 2k8h h GLU 83 Cb 0.68 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2k8h h GLU 83 CO 0.03 0.23 -0.40 1.05 -1.18 0.00 0.00 179.01 178.74 2k8h h GLU 84 N -0.55 0.00 -0.02 1.92 -0.00 -1.22 -0.43 114.58 114.28 2k8h h GLU 84 Ca -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 59.36 59.15 2k8h h GLU 84 Cb 0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.18 2k8h h GLU 84 CO 0.03 0.40 -0.84 1.25 -0.00 0.00 0.00 179.01 179.85 2k8h h LEU 85 N 0.00 0.34 0.09 3.06 5.85 -1.16 -3.34 115.31 120.15 2k8h h LEU 85 Ca -0.00 -0.26 -0.33 0.00 0.84 0.00 0.00 57.88 58.13 2k8h h LEU 85 Cb 1.15 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2k8h h LEU 85 CO 0.05 1.03 -1.77 0.61 -0.34 0.00 0.00 178.44 178.02 2k8h n GLY 86 N 0.77 -0.64 3.11 3.75 0.00 -0.19 -4.99 105.19 106.99 2k8h n GLY 86 Ca -0.04 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 2k8h n GLY 86 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2k8h n MET 87 N -3.78 -5.88 -3.98 1.61 2.81 -0.17 -4.99 117.12 102.74 2k8h n MET 87 Ca -0.32 0.71 -0.12 0.00 -1.81 0.00 0.00 57.70 56.16 2k8h n MET 87 Cb 0.94 -5.30 -0.02 0.00 -0.71 0.00 0.00 33.22 28.13 2k8h n MET 87 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2k8h s GLU 88 N -5.92 1.96 -0.20 0.03 -1.05 -1.26 -5.04 118.70 107.22 2k8h s GLU 88 Ca 0.42 -1.56 0.15 0.00 -0.15 0.00 0.00 54.97 53.83 2k8h s GLU 88 Cb -0.18 0.51 0.76 0.00 -0.44 0.00 0.00 34.13 34.78 2k8h s GLU 88 CO 0.52 -0.85 1.68 -0.40 0.95 0.00 0.00 175.26 177.15 2k8h n ASP 89 N -1.23 5.26 -2.19 0.83 5.68 -1.26 -4.39 116.55 119.24 2k8h n ASP 89 Ca -0.03 -2.82 -0.24 0.00 -0.50 0.00 0.00 54.79 51.20 2k8h n ASP 89 Cb 0.61 -0.64 0.01 0.00 -1.14 0.00 0.00 41.12 39.97 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 0.60 4.72 -4.65 -1.12 8.00 -1.20 -1.08 116.55 121.82 2k8h n ASP 90 Ca 0.26 -3.68 -0.43 0.00 0.71 0.00 0.00 54.79 51.66 2k8h n ASP 90 Cb 1.08 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.78 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 6.70 0.14 -2.24 2.15 -0.65 -4.90 116.67 114.29 2k8h s ASP 91 Ca 0.49 1.71 0.06 0.00 0.43 0.00 0.00 52.55 55.23 2k8h s ASP 91 Cb 0.41 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 2k8h s ASP 91 CO -0.03 -0.98 0.06 0.68 -0.17 0.00 0.00 175.17 174.73 2k8h s VAL 92 N 4.19 4.13 -0.16 1.11 -7.23 -1.26 -1.16 120.40 120.02 2k8h s VAL 92 Ca 0.63 -1.15 -0.07 0.00 -1.81 0.00 0.00 61.98 59.58 2k8h s VAL 92 Cb -0.24 -3.06 0.06 0.00 0.56 0.00 0.00 36.38 33.70 2k8h s VAL 92 CO 0.23 -0.04 0.36 -0.51 -0.31 0.00 0.00 175.10 174.83 2k8h s ILE 93 N -1.62 -0.21 -0.23 -0.62 1.10 -0.52 -4.41 121.20 114.69 2k8h s ILE 93 Ca 0.29 0.14 -0.08 0.00 -0.51 0.00 0.00 60.65 60.49 2k8h s ILE 93 Cb -0.10 -0.55 -0.03 0.00 0.15 0.00 0.00 42.46 41.92 2k8h s ILE 93 CO 0.21 0.06 0.08 -0.62 -2.11 0.00 0.00 174.94 172.55 2k8h s ASP 94 N 1.76 5.38 -0.45 4.50 -1.08 -0.24 -1.15 116.67 125.37 2k8h s ASP 94 Ca -0.06 -0.09 -0.19 0.00 -0.52 0.00 0.00 52.55 51.68 2k8h s ASP 94 Cb -0.10 -1.95 0.03 0.00 -1.46 0.00 0.00 42.92 39.44 2k8h s ASP 94 CO -0.11 0.04 0.57 0.00 0.52 0.00 0.00 175.17 176.18 2k8h s ALA 95 N 1.18 3.39 0.11 3.66 0.00 -0.56 -2.60 121.76 126.94 2k8h s ALA 95 Ca 0.05 -1.48 -0.00 0.00 0.00 0.00 0.00 51.96 50.53 2k8h s ALA 95 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 2k8h s ALA 95 CO 0.04 -1.79 0.27 -1.64 0.00 0.00 0.00 175.76 172.64 2k8h s MET 96 N 2.53 3.47 -0.13 0.00 -1.94 -0.50 -3.99 119.30 118.75 2k8h s MET 96 Ca 0.17 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.74 2k8h s MET 96 Cb -0.17 -2.97 0.02 0.00 2.01 0.00 0.00 34.83 33.72 2k8h s MET 96 CO 0.15 0.54 -0.16 0.08 -0.01 0.00 0.00 175.02 175.62 2k8h s VAL 97 N -1.63 1.64 -0.44 -6.03 1.01 -1.26 -1.42 120.40 112.26 2k8h s VAL 97 Ca 0.36 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2k8h s VAL 97 Cb -0.12 -1.50 0.19 0.00 0.00 0.00 0.00 36.38 34.95 2k8h s VAL 97 CO 0.28 0.47 0.51 -0.62 0.00 0.00 0.00 175.10 175.74 2k8h n GLU 98 N 4.42 0.41 -1.28 2.72 1.02 -1.26 -5.03 120.64 121.64 2k8h n GLU 98 Ca -0.18 -2.78 -0.29 0.00 -0.02 0.00 0.00 57.16 53.88 2k8h n GLU 98 Cb 0.51 -1.53 0.20 0.00 -0.02 0.00 0.00 31.44 30.61 2k8h n GLU 98 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2k8h s GLN 99 N 0.10 -0.28 0.15 3.49 -0.21 -1.26 -5.09 119.66 116.55 2k8h s GLN 99 Ca 0.33 0.06 -0.17 0.00 0.02 0.00 0.00 55.36 55.59 2k8h s GLN 99 Cb 0.07 -1.69 0.04 0.00 1.00 0.00 0.00 33.01 32.42 2k8h s GLN 99 CO -0.15 -3.11 0.45 0.95 -2.12 0.00 0.00 175.29 171.31 2k8h s THR 100 N -3.16 0.05 0.00 -0.19 -4.23 -1.26 -4.99 115.64 101.86 2k8h s THR 100 Ca 0.69 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2k8h s THR 100 Cb -0.12 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.44 2k8h s THR 100 CO 0.56 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2k8h n GLY 101 N -0.27 2.40 0.00 3.99 0.00 -1.26 -5.30 105.19 104.75 2k8h n GLY 101 Ca -0.14 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93