#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 -1.46 0.15 7.83 0.01 -1.26 -5.15 113.70 113.82 2k8h s SER 2 Ca 0.00 -1.41 -0.10 0.00 1.31 0.00 0.00 55.95 55.75 2k8h s SER 2 Cb 0.00 1.90 0.00 0.00 0.21 0.00 0.00 66.02 68.13 2k8h s SER 2 CO 0.00 -0.09 0.30 0.21 0.41 0.00 0.00 173.24 174.07 2k8h s ASN 3 N 1.19 0.00 0.00 2.44 3.84 -1.26 -5.11 114.94 116.05 2k8h s ASN 3 Ca 0.25 -0.73 0.00 0.00 0.21 0.00 0.00 52.86 52.60 2k8h s ASN 3 Cb -0.01 0.43 0.00 0.00 -0.55 0.00 0.00 41.25 41.12 2k8h s ASN 3 CO -0.06 -0.87 0.00 0.59 -2.79 0.00 0.00 177.10 173.97 2k8h n ASN 4 N -0.19 0.00 0.00 -4.21 4.13 -1.26 -5.18 115.26 108.54 2k8h n ASN 4 Ca -0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2k8h n ASN 4 Cb 0.63 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.87 2k8h n ASN 4 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k8h n GLY 5 N 2.25 3.77 3.86 7.41 0.00 -1.26 -5.17 105.19 116.06 2k8h n GLY 5 Ca 0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.69 2k8h n GLY 5 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k8h s GLY 6 N 0.00 2.21 0.24 -0.02 0.00 -1.26 -5.15 107.32 103.35 2k8h s GLY 6 Ca 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 44.72 43.04 2k8h s GLY 6 CO 0.00 -1.79 -0.22 -1.83 0.00 0.00 0.00 173.10 169.27 2k8h s GLU 7 N -4.14 1.62 0.06 2.90 1.03 -1.26 -5.06 118.70 113.84 2k8h s GLU 7 Ca 0.44 -1.66 -0.19 0.00 0.03 0.00 0.00 54.97 53.59 2k8h s GLU 7 Cb -0.02 -1.81 -0.12 0.00 -0.80 0.00 0.00 34.13 31.38 2k8h s GLU 7 CO 0.26 0.36 1.37 -1.00 -1.33 0.00 0.00 175.26 174.92 2k8h h PRO 8 N 2.66 0.47 -1.47 -4.83 0.13 -2.10 -3.47 132.00 123.40 2k8h h PRO 8 Ca -0.43 -0.25 0.10 0.00 -0.87 0.00 0.00 66.00 64.56 2k8h h PRO 8 Cb 1.24 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.10 2k8h h PRO 8 CO 0.55 0.82 0.53 0.45 -0.23 0.00 0.00 178.00 180.11 2k8h s SER 9 N -6.26 -0.38 -0.20 1.44 0.15 -1.26 -5.05 113.70 102.13 2k8h s SER 9 Ca -0.14 0.69 0.11 0.00 0.70 0.00 0.00 55.95 57.32 2k8h s SER 9 Cb 0.06 0.81 -0.22 0.00 -1.71 0.00 0.00 66.02 64.97 2k8h s SER 9 CO 0.78 -0.12 0.03 -0.46 1.20 0.00 0.00 173.24 174.67 2k8h n ASN 10 N 2.45 0.85 -2.92 5.45 6.94 -1.26 -5.07 115.26 121.69 2k8h n ASN 10 Ca -0.13 -0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.40 2k8h n ASN 10 Cb 0.56 0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 2k8h n ASN 10 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2k8h n ASN 11 N -2.98 -7.45 0.09 0.53 3.02 -1.26 -4.92 115.26 102.28 2k8h n ASN 11 Ca -0.36 0.96 0.02 0.00 -0.03 0.00 0.00 54.58 55.16 2k8h n ASN 11 Cb 1.09 -3.98 -0.02 0.00 -0.61 0.00 0.00 39.78 36.25 2k8h n ASN 11 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2k8h h GLY 12 N 3.10 0.00 0.00 7.41 0.00 -1.96 -3.49 103.07 108.13 2k8h h GLY 12 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2k8h h GLY 12 CO 0.08 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.23 2k8h n GLY 13 N 1.30 0.55 3.93 4.60 0.00 -1.26 -4.94 105.19 109.36 2k8h n GLY 13 Ca -0.03 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.24 2.59 0.00 1.61 2.02 -1.26 -5.03 118.70 118.40 2k8h s GLU 14 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 54.97 54.75 2k8h s GLU 14 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.95 2k8h s GLU 14 CO 0.00 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 174.80 2k8h n GLY 15 N -2.65 0.79 1.21 -1.39 0.00 -1.26 -5.16 105.19 96.73 2k8h n GLY 15 Ca 0.06 -2.02 0.15 0.00 0.00 0.00 0.00 46.02 44.22 2k8h n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h n ALA 16 N -1.00 -3.16 0.01 4.61 0.00 -1.26 -4.96 120.51 114.76 2k8h n ALA 16 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 53.44 54.09 2k8h n ALA 16 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2k8h n ALA 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k8h n GLU 17 N -4.00 0.00 0.00 0.00 1.02 -1.26 -4.85 120.64 111.55 2k8h n GLU 17 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2k8h n GLU 17 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 2k8h n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k8h n GLY 18 N 1.36 2.61 3.55 0.62 0.00 -1.26 -3.62 105.19 108.45 2k8h n GLY 18 Ca 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 2k8h n GLY 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8h s THR 19 N -0.61 0.00 0.00 2.61 -4.23 -1.26 -5.03 115.64 107.12 2k8h s THR 19 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 2k8h s THR 19 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 2k8h s THR 19 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 2k8h n LYS 21 N -1.49 -3.52 0.00 0.00 4.81 -1.26 -4.97 118.16 111.74 2k8h n LYS 21 Ca 0.00 2.79 0.00 0.00 -0.87 0.00 0.00 58.31 60.23 2k8h n LYS 21 Cb 0.00 -4.92 0.00 0.00 0.02 0.00 0.00 35.03 30.13 2k8h n LYS 21 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2k8h n GLU 22 N 0.92 0.00 -3.93 1.64 2.13 -1.26 -5.16 120.64 114.98 2k8h n GLU 22 Ca -0.12 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.50 2k8h n GLU 22 Cb 0.19 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.84 2k8h n GLU 22 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k8h n GLU 23 N -0.32 0.62 -4.38 5.31 -0.58 -1.26 -5.18 120.64 114.85 2k8h n GLU 23 Ca 0.00 -2.78 -0.19 0.00 -0.42 0.00 0.00 57.16 53.76 2k8h n GLU 23 Cb 0.00 1.57 -0.10 0.00 -0.57 0.00 0.00 31.44 32.34 2k8h n GLU 23 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2k8h s THR 24 N -2.81 1.45 0.18 2.62 -1.32 -1.26 -5.11 115.64 109.39 2k8h s THR 24 Ca 0.18 -2.10 -0.23 0.00 -1.21 0.00 0.00 61.69 58.33 2k8h s THR 24 Cb 0.01 -2.36 0.06 0.00 -1.51 0.00 0.00 72.50 68.70 2k8h s THR 24 CO 0.13 -0.35 0.70 0.00 -2.21 0.00 0.00 174.62 172.88 2k8h s ALA 25 N -3.15 -1.50 -0.06 11.08 0.00 -1.26 -5.12 121.76 121.76 2k8h s ALA 25 Ca 0.28 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.52 2k8h s ALA 25 Cb 0.04 0.81 0.00 0.00 0.00 0.00 0.00 23.12 23.97 2k8h s ALA 25 CO 0.10 -0.88 -0.16 -0.51 0.00 0.00 0.00 175.76 174.31 2k8h s LEU 26 N -2.80 1.84 -0.02 0.00 1.02 -1.26 -3.54 118.68 113.93 2k8h s LEU 26 Ca 0.06 -0.35 0.01 0.00 0.02 0.00 0.00 54.13 53.87 2k8h s LEU 26 Cb -0.03 -0.96 0.01 0.00 0.02 0.00 0.00 46.19 45.24 2k8h s LEU 26 CO -0.05 0.11 -0.03 -0.69 0.02 0.00 0.00 176.35 175.71 2k8h s VAL 27 N 0.28 0.35 -0.05 -1.59 1.01 -0.54 -4.68 120.40 115.18 2k8h s VAL 27 Ca -0.09 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2k8h s VAL 27 Cb -0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 2k8h s VAL 27 CO 0.03 0.14 0.53 0.00 0.00 0.00 0.00 175.10 175.80 2k8h s ALA 28 N 0.39 3.50 -0.04 5.51 0.00 -0.06 -1.51 121.76 129.56 2k8h s ALA 28 Ca -0.04 -0.08 0.05 0.00 0.00 0.00 0.00 51.96 51.89 2k8h s ALA 28 Cb -0.08 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 2k8h s ALA 28 CO -0.00 0.12 -0.19 0.08 0.00 0.00 0.00 175.76 175.77 2k8h s VAL 29 N 0.09 2.63 -0.24 0.00 1.01 -0.43 -1.76 120.40 121.70 2k8h s VAL 29 Ca 0.28 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2k8h s VAL 29 Cb -0.17 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.29 2k8h s VAL 29 CO 0.14 0.59 -0.04 -0.75 0.00 0.00 0.00 175.10 175.03 2k8h s LYS 30 N -0.67 1.54 -0.23 2.72 2.20 -0.38 -1.50 119.74 123.42 2k8h s LYS 30 Ca 0.10 -0.97 -0.17 0.00 -0.36 0.00 0.00 55.97 54.57 2k8h s LYS 30 Cb -0.10 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.62 2k8h s LYS 30 CO -0.00 -0.62 0.45 0.54 -0.36 0.00 0.00 175.35 175.36 2k8h s VAL 31 N 1.42 5.14 0.19 4.02 0.11 -0.37 -1.49 120.40 129.42 2k8h s VAL 31 Ca -0.05 0.77 0.10 0.00 -2.93 0.00 0.00 61.98 59.87 2k8h s VAL 31 Cb -0.19 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 30.85 2k8h s VAL 31 CO -0.07 0.18 -0.15 0.68 -3.33 0.00 0.00 175.10 172.41 2k8h s VAL 32 N 1.78 2.87 0.13 2.04 -7.23 -0.51 -1.38 120.40 118.11 2k8h s VAL 32 Ca 0.20 -1.81 0.08 0.00 -1.81 0.00 0.00 61.98 58.64 2k8h s VAL 32 Cb -0.15 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2k8h s VAL 32 CO 0.09 -0.12 -0.19 0.20 -0.31 0.00 0.00 175.10 174.77 2k8h s ASN 33 N -2.78 2.52 0.60 4.85 -0.87 -0.79 -1.35 114.94 117.12 2k8h s ASN 33 Ca 0.23 -0.78 0.34 0.00 -1.57 0.00 0.00 52.86 51.09 2k8h s ASN 33 Cb -0.08 -0.14 1.95 0.00 -0.02 0.00 0.00 41.25 42.96 2k8h s ASN 33 CO 0.13 -0.01 2.26 0.00 -2.57 0.00 0.00 177.10 176.91 2k8h h ALA 34 N 3.64 1.32 0.00 0.60 0.00 -1.89 -0.57 119.26 122.35 2k8h h ALA 34 Ca -0.43 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.34 2k8h h ALA 34 Cb 1.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2k8h h ALA 34 CO 0.46 0.02 -0.69 -0.44 0.00 0.00 0.00 179.25 178.60 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 5.19 -1.95 -3.48 116.42 116.18 2k8h h ASP 35 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k8h h ASP 35 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 2k8h h ASP 35 CO 0.00 0.51 0.00 0.61 -3.12 0.00 0.00 179.24 177.24 2k8h n GLY 36 N 1.26 2.61 3.69 2.75 0.00 -0.22 -5.09 105.19 110.19 2k8h n GLY 36 Ca -0.00 -0.66 -0.52 0.00 0.00 0.00 0.00 46.02 44.83 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 0.36 -2.76 4.61 0.00 -1.26 -4.50 120.51 116.96 2k8h n ALA 37 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 2k8h n ALA 37 Cb 0.00 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 17.03 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 3.62 1.12 -0.20 0.00 -1.05 -1.26 -1.88 118.70 119.05 2k8h s GLU 38 Ca 0.95 -1.09 -0.27 0.00 -0.15 0.00 0.00 54.97 54.40 2k8h s GLU 38 Cb -0.87 0.39 0.08 0.00 -0.44 0.00 0.00 34.13 33.29 2k8h s GLU 38 CO 0.57 -0.41 0.77 0.00 0.95 0.00 0.00 175.26 177.14 2k8h s MET 39 N -3.93 0.84 0.10 -4.83 0.23 -0.48 -5.00 119.30 106.23 2k8h s MET 39 Ca 0.14 0.68 0.10 0.00 -1.03 0.00 0.00 55.69 55.57 2k8h s MET 39 Cb 0.03 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 33.70 2k8h s MET 39 CO -0.03 -0.16 -0.24 -0.59 -2.03 0.00 0.00 175.02 171.97 2k8h s PHE 40 N -0.18 2.11 -0.13 3.16 -0.12 -1.26 -1.23 117.98 120.32 2k8h s PHE 40 Ca -0.03 -0.40 -0.27 0.00 -0.05 0.00 0.00 56.93 56.19 2k8h s PHE 40 Cb -0.03 -1.17 0.07 0.00 -0.63 0.00 0.00 43.02 41.25 2k8h s PHE 40 CO 0.03 0.25 0.66 -0.06 -0.05 0.00 0.00 175.22 176.05 2k8h s PHE 41 N -1.03 -0.68 -0.29 3.49 0.08 -0.56 -5.00 117.98 114.00 2k8h s PHE 41 Ca 0.11 1.38 -0.19 0.00 0.12 0.00 0.00 56.93 58.35 2k8h s PHE 41 Cb -0.10 0.33 -0.02 0.00 -0.57 0.00 0.00 43.02 42.66 2k8h s PHE 41 CO 0.04 -0.50 0.56 1.03 -0.10 0.00 0.00 175.22 176.26 2k8h s ARG 42 N -0.55 3.96 0.03 0.44 0.52 -1.26 -1.32 118.95 120.77 2k8h s ARG 42 Ca -0.07 0.27 -0.03 0.00 -0.52 0.00 0.00 55.73 55.39 2k8h s ARG 42 Cb -0.02 -3.70 -0.02 0.00 0.52 0.00 0.00 34.95 31.74 2k8h s ARG 42 CO 0.06 -0.46 0.04 0.42 0.02 0.00 0.00 175.30 175.37 2k8h s ILE 43 N 2.43 0.13 0.22 1.52 -1.09 -0.57 -4.96 121.20 118.89 2k8h s ILE 43 Ca 0.23 -1.08 -0.32 0.00 -2.23 0.00 0.00 60.65 57.24 2k8h s ILE 43 Cb -0.15 -0.70 -0.13 0.00 -1.58 0.00 0.00 42.46 39.90 2k8h s ILE 43 CO 0.10 -0.60 1.54 0.29 -1.23 0.00 0.00 174.94 175.04 2k8h n LYS 44 N 1.06 2.29 -0.08 2.79 4.76 -1.26 -1.46 118.16 126.26 2k8h n LYS 44 Ca -0.21 0.82 0.15 0.00 -2.87 0.00 0.00 58.31 56.21 2k8h n LYS 44 Cb 0.57 -2.56 0.56 0.00 -1.84 0.00 0.00 35.03 31.76 2k8h n LYS 44 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2k8h h SER 45 N 5.15 0.26 -0.04 4.39 0.02 -1.84 0.16 113.55 121.66 2k8h h SER 45 Ca -0.45 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2k8h h SER 45 Cb 1.25 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k8h h SER 45 CO 0.83 0.15 0.08 0.03 -1.14 0.00 0.00 176.83 176.78 2k8h h ARG 46 N 0.29 0.00 -0.98 3.45 2.47 -1.85 -3.34 114.38 114.42 2k8h h ARG 46 Ca 0.29 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.88 2k8h h ARG 46 Cb 0.76 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.92 2k8h h ARG 46 CO -0.07 0.00 -0.48 0.95 0.56 0.00 0.00 179.97 180.94 2k8h s THR 47 N -4.42 -0.98 0.00 2.04 -4.23 0.54 -4.92 115.64 103.66 2k8h s THR 47 Ca -0.05 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 2k8h s THR 47 Cb 0.14 0.00 0.00 0.00 1.34 0.00 0.00 72.50 73.98 2k8h s THR 47 CO 0.47 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.55 2k8h n ALA 48 N 3.11 2.99 -0.19 3.99 0.00 -0.99 -4.33 120.51 125.10 2k8h n ALA 48 Ca 0.17 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.88 2k8h n ALA 48 Cb 0.56 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.70 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 0.08 -0.14 0.00 7.12 -1.88 0.45 115.31 120.94 2k8h h LEU 49 Ca 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 2k8h h LEU 49 Cb 0.00 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.12 2k8h h LEU 49 CO 0.00 0.03 0.05 0.11 -0.13 0.00 0.00 178.44 178.50 2k8h h LYS 50 N 0.08 0.20 0.00 1.25 1.79 -1.86 -1.01 116.57 117.01 2k8h h LYS 50 Ca 0.43 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.75 2k8h h LYS 50 Cb 1.59 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.20 2k8h h LYS 50 CO -0.04 0.31 -0.53 0.87 -1.08 0.00 0.00 179.45 178.98 2k8h h LYS 51 N 0.06 0.00 0.17 3.15 1.57 -1.26 -0.82 116.57 119.43 2k8h h LYS 51 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2k8h h LYS 51 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2k8h h LYS 51 CO -0.00 0.53 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.26 2k8h h LEU 52 N 0.00 -0.19 -0.68 2.94 -0.00 -0.81 0.23 115.31 116.81 2k8h h LEU 52 Ca -0.01 -0.26 -0.14 0.00 -0.00 0.00 0.00 57.88 57.47 2k8h h LEU 52 Cb 1.03 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.72 2k8h h LEU 52 CO 0.07 0.18 -0.61 -0.29 -0.00 0.00 0.00 178.44 177.78 2k8h h ILE 53 N -0.58 1.40 -0.18 1.22 2.10 -1.22 -0.76 117.51 119.49 2k8h h ILE 53 Ca -0.02 -2.03 -0.16 0.00 1.08 0.00 0.00 64.86 63.73 2k8h h ILE 53 Cb 0.44 2.05 0.00 0.00 -1.09 0.00 0.00 36.82 38.22 2k8h h ILE 53 CO 0.04 0.59 -0.51 -0.78 -1.08 0.00 0.00 178.15 176.42 2k8h h ASP 54 N 0.13 0.75 -0.02 2.19 3.58 -1.14 -0.97 116.42 120.94 2k8h h ASP 54 Ca -0.01 -0.58 -0.21 0.00 0.42 0.00 0.00 57.03 56.65 2k8h h ASP 54 Cb 1.11 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2k8h h ASP 54 CO 0.09 1.21 -0.74 0.74 -2.88 0.00 0.00 179.24 177.66 2k8h h THR 55 N 0.34 1.31 -0.08 2.25 2.02 -0.52 -1.02 112.91 117.22 2k8h h THR 55 Ca -0.01 -2.00 -0.03 0.00 0.77 0.00 0.00 66.41 65.14 2k8h h THR 55 Cb 1.12 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2k8h h THR 55 CO 0.11 0.62 -0.06 0.22 0.37 0.00 0.00 175.52 176.79 2k8h h TYR 56 N 0.46 0.21 -0.31 3.16 5.03 -1.18 0.35 116.97 124.69 2k8h h TYR 56 Ca -0.04 -0.06 -0.04 0.00 2.58 0.00 0.00 58.73 61.17 2k8h h TYR 56 Cb 1.34 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.57 2k8h h TYR 56 CO 0.07 0.58 0.02 0.00 -1.32 0.00 0.00 178.16 177.52 2k8h h LYS 58 N 0.35 0.92 -0.27 0.00 3.64 -1.22 -1.15 116.57 118.84 2k8h h LYS 58 Ca 0.09 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2k8h h LYS 58 Cb 0.40 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2k8h h LYS 58 CO 0.01 0.87 0.11 -0.22 -2.27 0.00 0.00 179.45 177.95 2k8h h LYS 59 N 0.82 0.40 0.00 1.90 3.64 -0.83 -2.07 116.57 120.42 2k8h h LYS 59 Ca 0.18 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2k8h h LYS 59 Cb 0.37 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 2k8h h LYS 59 CO 0.01 0.42 0.00 0.37 -2.27 0.00 0.00 179.45 177.97 2k8h h GLN 60 N 0.29 0.00 0.00 1.90 4.15 -1.09 -3.46 115.11 116.90 2k8h h GLN 60 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2k8h h GLN 60 Cb 0.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 2k8h h GLN 60 CO -0.01 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.30 2k8h n GLY 61 N -0.69 0.64 3.14 2.39 0.00 -0.78 -5.07 105.19 104.82 2k8h n GLY 61 Ca -0.01 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.04 2k8h n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k8h s ILE 62 N -2.00 1.13 1.24 -0.61 -1.09 -0.49 -5.03 121.20 114.35 2k8h s ILE 62 Ca 0.00 -0.93 -0.16 0.00 -2.23 0.00 0.00 60.65 57.33 2k8h s ILE 62 Cb 0.00 -1.01 0.28 0.00 -1.58 0.00 0.00 42.46 40.15 2k8h s ILE 62 CO 0.00 0.07 0.75 -1.20 -1.23 0.00 0.00 174.94 173.33 2k8h n SER 63 N 2.06 -2.51 -2.48 3.58 7.64 -1.26 -4.01 113.62 116.64 2k8h n SER 63 Ca -0.17 -0.34 -0.24 0.00 1.01 0.00 0.00 58.87 59.12 2k8h n SER 63 Cb 0.55 -1.11 -0.08 0.00 -1.01 0.00 0.00 64.21 62.55 2k8h n SER 63 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2k8h n ARG 64 N -4.47 2.56 -2.73 1.43 0.63 -1.26 -4.17 116.66 108.65 2k8h n ARG 64 Ca 0.04 -2.05 -0.04 0.00 -0.92 0.00 0.00 57.85 54.88 2k8h n ARG 64 Cb 0.56 -2.18 0.07 0.00 0.45 0.00 0.00 32.46 31.36 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2k8h n ASN 65 N 1.57 0.32 -0.61 6.15 3.02 -1.26 -4.87 115.26 119.58 2k8h n ASN 65 Ca 0.50 -2.32 -0.01 0.00 -0.03 0.00 0.00 54.58 52.72 2k8h n ASN 65 Cb 0.62 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.78 2k8h n ASN 65 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2k8h n SER 66 N -0.66 -0.08 -3.60 6.41 3.41 -1.26 -5.09 113.62 112.75 2k8h n SER 66 Ca 0.01 -1.38 -0.05 0.00 -0.26 0.00 0.00 58.87 57.18 2k8h n SER 66 Cb 0.83 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.69 2k8h n SER 66 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2k8h s VAL 67 N 0.00 -0.80 -0.43 -3.33 -7.23 -1.26 -4.80 120.40 102.55 2k8h s VAL 67 Ca 0.01 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.11 2k8h s VAL 67 Cb 0.02 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 36.17 2k8h s VAL 67 CO -0.01 0.03 0.37 -0.60 -0.31 0.00 0.00 175.10 174.58 2k8h s ARG 68 N 2.73 3.00 -0.39 4.82 6.06 -0.52 -4.87 118.95 129.78 2k8h s ARG 68 Ca -0.01 -1.05 -0.22 0.00 -2.50 0.00 0.00 55.73 51.94 2k8h s ARG 68 Cb -0.12 -4.02 0.01 0.00 0.06 0.00 0.00 34.95 30.88 2k8h s ARG 68 CO -0.16 -0.87 0.74 -0.06 -2.50 0.00 0.00 175.30 172.46 2k8h s PHE 69 N 1.80 3.08 0.14 5.12 0.40 -1.25 -1.35 117.98 125.91 2k8h s PHE 69 Ca 0.07 0.35 0.11 0.00 -0.60 0.00 0.00 56.93 56.85 2k8h s PHE 69 Cb -0.20 -3.42 -0.04 0.00 0.51 0.00 0.00 43.02 39.87 2k8h s PHE 69 CO 0.10 -0.80 -0.26 -0.48 0.70 0.00 0.00 175.22 174.48 2k8h s LEU 70 N 3.06 2.33 -0.31 -0.37 0.05 -0.78 -0.97 118.68 121.70 2k8h s LEU 70 Ca 0.29 -0.76 0.03 0.00 0.05 0.00 0.00 54.13 53.74 2k8h s LEU 70 Cb -0.13 -1.18 0.09 0.00 -2.05 0.00 0.00 46.19 42.92 2k8h s LEU 70 CO 0.18 0.16 -0.00 0.12 -0.55 0.00 0.00 176.35 176.26 2k8h s PHE 71 N -1.16 3.40 -1.33 3.48 5.36 -0.27 -1.33 117.98 126.12 2k8h s PHE 71 Ca 0.14 -2.64 -0.01 0.00 -0.96 0.00 0.00 56.93 53.47 2k8h s PHE 71 Cb -0.10 -2.46 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 2k8h s PHE 71 CO 0.06 -0.91 0.05 -3.47 -1.46 0.00 0.00 175.22 169.49 2k8h n ASP 72 N 4.37 -4.67 0.00 6.13 -0.08 -1.26 -0.94 116.55 120.10 2k8h n ASP 72 Ca -0.03 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 2k8h n ASP 72 Cb 0.42 -3.92 0.00 0.00 2.34 0.00 0.00 41.12 39.96 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 -0.93 1.04 3.14 0.27 0.00 -1.26 -5.02 105.19 102.42 2k8h n GLY 73 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 4.41 -0.66 2.61 2.01 -0.11 -3.58 115.64 118.31 2k8h s THR 74 Ca 0.00 -3.53 -0.26 0.00 0.31 0.00 0.00 61.69 58.21 2k8h s THR 74 Cb 0.00 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2k8h s THR 74 CO 0.00 -1.04 1.88 -2.16 -0.69 0.00 0.00 174.62 172.61 2k8h s PRO 75 N -0.94 2.61 -0.06 4.92 0.04 -1.26 -1.11 135.00 139.20 2k8h s PRO 75 Ca 0.24 0.45 -0.09 0.00 0.04 0.00 0.00 61.00 61.65 2k8h s PRO 75 Cb -0.11 -4.51 0.02 0.00 0.04 0.00 0.00 34.50 29.94 2k8h s PRO 75 CO -0.10 -2.86 0.23 0.42 0.04 0.00 0.00 177.00 174.73 2k8h s ILE 76 N 9.29 0.02 -0.55 0.56 -1.09 -0.14 -4.94 121.20 124.35 2k8h s ILE 76 Ca 0.68 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.95 2k8h s ILE 76 Cb -0.12 -0.38 0.14 0.00 -1.58 0.00 0.00 42.46 40.52 2k8h s ILE 76 CO 0.17 -0.10 0.30 -1.81 -1.23 0.00 0.00 174.94 172.27 2k8h s ASP 77 N -0.32 4.49 -0.09 3.58 1.01 -1.26 -4.58 116.67 119.50 2k8h s ASP 77 Ca -0.04 -3.03 -0.33 0.00 0.71 0.00 0.00 52.55 49.86 2k8h s ASP 77 Cb -0.03 -1.68 0.14 0.00 1.01 0.00 0.00 42.92 42.37 2k8h s ASP 77 CO 0.01 -0.25 1.41 -1.61 0.21 0.00 0.00 175.17 174.95 2k8h s GLU 78 N -0.32 0.08 -0.31 8.23 2.02 -1.26 -5.02 118.70 122.12 2k8h s GLU 78 Ca 0.17 -0.05 0.08 0.00 0.02 0.00 0.00 54.97 55.20 2k8h s GLU 78 Cb -0.24 0.03 0.51 0.00 0.10 0.00 0.00 34.13 34.53 2k8h s GLU 78 CO -0.01 -0.04 1.49 -2.37 0.02 0.00 0.00 175.26 174.35 2k8h n THR 79 N -0.48 2.61 0.00 3.63 5.66 -1.26 -4.47 114.28 119.98 2k8h n THR 79 Ca -0.09 -2.79 0.00 0.00 -3.05 0.00 0.00 64.05 58.12 2k8h n THR 79 Cb 0.63 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 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 -1.11 0.07 0.22 1.09 3.00 -1.26 -4.58 118.16 115.58 2k8h n LYS 80 Ca 0.36 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.55 2k8h n LYS 80 Cb 1.06 -0.63 -0.06 0.00 0.00 0.00 0.00 35.03 35.39 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 -1.80 -0.99 112.91 115.55 2k8h h THR 81 Ca 0.00 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 66.52 2k8h h THR 81 Cb 0.27 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2k8h h THR 81 CO 0.00 0.05 -0.39 1.55 0.37 0.00 0.00 175.52 177.10 2k8h h PRO 82 N -1.06 0.00 -0.01 6.66 0.13 -1.91 -1.05 132.00 134.76 2k8h h PRO 82 Ca -0.06 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.82 2k8h h PRO 82 Cb 0.55 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.69 2k8h h PRO 82 CO 0.10 0.39 -0.99 1.05 -0.23 0.00 0.00 178.00 178.32 2k8h h GLU 83 N 0.00 0.60 0.00 0.86 -0.00 -1.82 -0.50 114.58 113.73 2k8h h GLU 83 Ca -0.00 -0.64 -0.07 0.00 -0.00 0.00 0.00 59.36 58.64 2k8h h GLU 83 Cb 0.79 0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 29.71 2k8h h GLU 83 CO 0.05 1.25 -0.35 1.05 -0.00 0.00 0.00 179.01 181.01 2k8h h GLU 84 N 0.35 0.00 0.07 1.06 -0.00 -1.08 -0.18 114.58 114.80 2k8h h GLU 84 Ca -0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 58.95 2k8h h GLU 84 Cb 1.64 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.37 2k8h h GLU 84 CO 0.19 0.35 -1.58 1.25 -0.00 0.00 0.00 179.01 179.22 2k8h h LEU 85 N 0.00 0.25 0.00 3.06 5.85 -1.20 -3.40 115.31 119.86 2k8h h LEU 85 Ca -0.00 -0.39 -0.11 0.00 0.84 0.00 0.00 57.88 58.22 2k8h h LEU 85 Cb 1.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 2k8h h LEU 85 CO 0.04 1.33 -0.91 0.61 -0.34 0.00 0.00 178.44 179.18 2k8h n GLY 86 N 1.64 -0.88 2.91 3.75 0.00 -0.20 -5.04 105.19 107.37 2k8h n GLY 86 Ca -0.17 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.52 -1.68 -3.49 1.61 2.81 -0.08 -5.04 117.12 106.73 2k8h n MET 87 Ca -0.19 0.86 -0.09 0.00 -1.81 0.00 0.00 57.70 56.46 2k8h n MET 87 Cb 0.46 -5.06 -0.02 0.00 -0.71 0.00 0.00 33.22 27.89 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 -3.88 0.89 -0.01 0.03 -1.05 -1.26 -5.02 118.70 108.41 2k8h s GLU 88 Ca 0.29 -0.32 0.07 0.00 -0.15 0.00 0.00 54.97 54.86 2k8h s GLU 88 Cb -0.04 0.41 0.21 0.00 -0.44 0.00 0.00 34.13 34.28 2k8h s GLU 88 CO 0.61 -0.39 1.15 -0.40 0.95 0.00 0.00 175.26 177.19 2k8h n ASP 89 N -0.25 1.37 -2.25 0.83 5.75 -1.26 -3.92 116.55 116.82 2k8h n ASP 89 Ca -0.10 -2.02 -0.27 0.00 -0.01 0.00 0.00 54.79 52.38 2k8h n ASP 89 Cb 0.62 -0.19 0.02 0.00 -1.03 0.00 0.00 41.12 40.54 2k8h n ASP 89 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2k8h n ASP 90 N 0.20 5.38 -4.64 -1.12 8.00 -1.23 -0.88 116.55 122.26 2k8h n ASP 90 Ca 0.08 -3.75 -0.43 0.00 0.71 0.00 0.00 54.79 51.40 2k8h n ASP 90 Cb 0.23 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 2k8h n ASP 90 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2k8h s ASP 91 N -3.20 6.84 0.04 -2.24 1.01 -0.72 -4.93 116.67 113.47 2k8h s ASP 91 Ca 0.52 1.35 0.03 0.00 0.71 0.00 0.00 52.55 55.16 2k8h s ASP 91 Cb 0.42 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.77 2k8h s ASP 91 CO -0.07 -0.91 -0.00 0.68 0.21 0.00 0.00 175.17 175.08 2k8h s VAL 92 N 3.87 4.05 -0.08 -1.27 -7.23 -1.26 -1.25 120.40 117.23 2k8h s VAL 92 Ca 0.53 -0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.87 2k8h s VAL 92 Cb -0.17 -2.86 0.04 0.00 0.56 0.00 0.00 36.38 33.95 2k8h s VAL 92 CO 0.17 0.26 0.09 0.27 -0.31 0.00 0.00 175.10 175.58 2k8h s ILE 93 N -1.19 -0.14 -0.30 -0.62 -4.36 -0.55 -4.39 121.20 109.65 2k8h s ILE 93 Ca 0.22 0.28 -0.13 0.00 -0.26 0.00 0.00 60.65 60.76 2k8h s ILE 93 Cb -0.12 -0.28 -0.03 0.00 1.25 0.00 0.00 42.46 43.29 2k8h s ILE 93 CO 0.14 0.07 0.26 -1.81 0.24 0.00 0.00 174.94 173.84 2k8h s ASP 94 N 2.19 6.10 -0.42 4.36 1.01 -0.44 -1.42 116.67 128.04 2k8h s ASP 94 Ca 0.04 -0.10 -0.23 0.00 0.71 0.00 0.00 52.55 52.96 2k8h s ASP 94 Cb -0.13 -2.15 0.02 0.00 1.01 0.00 0.00 42.92 41.67 2k8h s ASP 94 CO -0.05 -0.17 0.80 0.00 0.21 0.00 0.00 175.17 175.96 2k8h s ALA 95 N 1.85 3.33 0.18 5.23 0.00 -0.46 -1.87 121.76 130.02 2k8h s ALA 95 Ca 0.09 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.28 2k8h s ALA 95 Cb -0.16 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2k8h s ALA 95 CO 0.11 -1.79 -0.13 1.41 0.00 0.00 0.00 175.76 175.35 2k8h s MET 96 N 3.28 1.93 0.02 0.00 1.75 -0.46 -4.08 119.30 121.74 2k8h s MET 96 Ca 0.31 -1.32 -0.21 0.00 -1.25 0.00 0.00 55.69 53.22 2k8h s MET 96 Cb -0.12 -2.09 -0.06 0.00 2.84 0.00 0.00 34.83 35.40 2k8h s MET 96 CO 0.21 0.43 0.63 0.14 -0.65 0.00 0.00 175.02 175.79 2k8h s VAL 97 N -1.67 4.82 -0.39 10.11 -7.23 -1.26 -1.45 120.40 123.34 2k8h s VAL 97 Ca 0.24 1.34 0.11 0.00 -1.81 0.00 0.00 61.98 61.86 2k8h s VAL 97 Cb -0.09 -3.97 0.35 0.00 0.56 0.00 0.00 36.38 33.23 2k8h s VAL 97 CO 0.14 0.43 0.85 -0.62 -0.31 0.00 0.00 175.10 175.59 2k8h n GLU 98 N 2.55 1.00 -3.38 4.82 1.02 -1.26 -5.02 120.64 120.37 2k8h n GLU 98 Ca -0.06 -2.98 -0.19 0.00 -0.02 0.00 0.00 57.16 53.91 2k8h n GLU 98 Cb 0.51 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.44 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 -1.75 2.86 -0.27 3.49 -0.21 -1.26 -5.03 119.66 117.49 2k8h s GLN 99 Ca 0.34 -1.22 0.11 0.00 0.02 0.00 0.00 55.36 54.61 2k8h s GLN 99 Cb 0.34 -2.67 0.55 0.00 1.00 0.00 0.00 33.01 32.23 2k8h s GLN 99 CO -0.07 -0.09 1.53 -2.37 -2.12 0.00 0.00 175.29 172.17 2k8h n THR 100 N -1.65 2.57 0.00 -0.19 5.66 -1.26 -4.71 114.28 114.70 2k8h n THR 100 Ca 0.03 -2.29 0.00 0.00 -3.05 0.00 0.00 64.05 58.74 2k8h n THR 100 Cb 0.59 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.05 2k8h n THR 100 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k8h n GLY 101 N -0.85 -0.18 0.92 1.09 0.00 -1.26 -5.38 105.19 99.53 2k8h n GLY 101 Ca 0.33 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.44 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93