#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 -0.19 -0.06 7.83 1.04 -1.26 -5.17 113.70 115.89 2k8h s SER 2 Ca 0.00 0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.54 2k8h s SER 2 Cb 0.00 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.32 2k8h s SER 2 CO 0.00 -0.22 0.14 0.21 0.98 0.00 0.00 173.24 174.36 2k8h s ASN 3 N -1.45 -0.11 0.32 7.02 3.04 -1.26 -5.16 114.94 117.34 2k8h s ASN 3 Ca 0.06 0.30 -0.05 0.00 0.04 0.00 0.00 52.86 53.21 2k8h s ASN 3 Cb -0.01 0.19 0.00 0.00 -1.54 0.00 0.00 41.25 39.89 2k8h s ASN 3 CO -0.04 -0.14 0.47 0.20 -3.04 0.00 0.00 177.10 174.55 2k8h s ASN 4 N 1.10 0.68 0.00 -4.21 0.01 -1.26 -5.18 114.94 106.08 2k8h s ASN 4 Ca -0.09 -1.38 0.00 0.00 -0.71 0.00 0.00 52.86 50.69 2k8h s ASN 4 Cb -0.11 0.65 0.00 0.00 0.41 0.00 0.00 41.25 42.20 2k8h s ASN 4 CO -0.06 -1.27 0.00 0.61 -1.51 0.00 0.00 177.10 174.88 2k8h n GLY 5 N -0.52 3.69 0.00 0.66 0.00 -1.26 -5.17 105.19 102.59 2k8h n GLY 5 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 2.70 3.32 -0.02 0.00 -1.26 -5.15 105.19 104.78 2k8h n GLY 6 Ca 0.00 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 2k8h n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k8h s GLU 7 N -4.56 1.24 0.13 1.61 -1.05 -1.26 -5.16 118.70 109.65 2k8h s GLU 7 Ca 0.00 -1.46 -0.02 0.00 -0.15 0.00 0.00 54.97 53.34 2k8h s GLU 7 Cb 0.00 -1.11 0.03 0.00 -0.44 0.00 0.00 34.13 32.61 2k8h s GLU 7 CO 0.00 0.20 0.11 -0.35 0.95 0.00 0.00 175.26 176.18 2k8h n PRO 8 N 0.00 -1.24 -3.15 -4.83 -0.04 -1.26 -5.09 135.00 119.38 2k8h n PRO 8 Ca -0.11 -0.18 0.06 0.00 -0.04 0.00 0.00 63.50 63.23 2k8h n PRO 8 Cb 0.59 -0.17 -0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.82 -0.07 -0.04 3.54 1.04 -1.26 -5.17 113.70 109.93 2k8h s SER 9 Ca 0.07 0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.57 2k8h s SER 9 Cb -0.01 1.04 -0.01 0.00 0.10 0.00 0.00 66.02 67.15 2k8h s SER 9 CO 0.06 -0.01 -0.21 0.20 0.98 0.00 0.00 173.24 174.25 2k8h s ASN 10 N 2.99 2.56 -0.30 7.02 0.01 -1.26 -5.08 114.94 120.88 2k8h s ASN 10 Ca 0.31 -0.42 -0.14 0.00 -0.71 0.00 0.00 52.86 51.90 2k8h s ASN 10 Cb 0.00 -0.61 0.18 0.00 0.41 0.00 0.00 41.25 41.23 2k8h s ASN 10 CO -0.21 0.21 1.13 0.21 -1.51 0.00 0.00 177.10 176.93 2k8h s ASN 11 N -0.16 -0.16 0.45 -1.22 2.47 -1.26 -5.03 114.94 110.03 2k8h s ASN 11 Ca -0.01 0.00 0.14 0.00 0.42 0.00 0.00 52.86 53.41 2k8h s ASN 11 Cb -0.12 0.96 1.06 0.00 -1.45 0.00 0.00 41.25 41.70 2k8h s ASN 11 CO 0.02 -0.03 2.00 1.23 -3.72 0.00 0.00 177.10 176.61 2k8h h GLY 12 N 6.79 0.48 0.00 1.21 0.00 -2.05 -3.46 103.07 106.05 2k8h h GLY 12 Ca -0.10 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2k8h h GLY 12 CO -0.14 0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.11 2k8h n GLY 13 N -1.53 0.80 6.92 4.60 0.00 -1.26 -4.96 105.19 109.76 2k8h n GLY 13 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2k8h n GLY 13 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k8h n GLU 14 N -2.33 -0.03 -3.58 1.61 2.13 -1.26 -4.49 120.64 112.69 2k8h n GLU 14 Ca 0.00 0.02 -0.09 0.00 0.66 0.00 0.00 57.16 57.75 2k8h n GLU 14 Cb 0.00 -0.03 -0.02 0.00 0.27 0.00 0.00 31.44 31.66 2k8h n GLU 14 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k8h s GLY 15 N -3.71 -0.41 -0.28 8.31 0.00 -1.26 -4.90 107.32 105.06 2k8h s GLY 15 Ca 0.00 0.40 -0.28 0.00 0.00 0.00 0.00 44.72 44.84 2k8h s GLY 15 CO 0.00 0.13 1.37 0.00 0.00 0.00 0.00 173.10 174.60 2k8h s ALA 16 N -3.55 -2.15 -0.22 3.20 0.00 -1.26 -5.18 121.76 112.60 2k8h s ALA 16 Ca 0.06 1.81 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 2k8h s ALA 16 Cb -0.02 -1.58 0.16 0.00 0.00 0.00 0.00 23.12 21.68 2k8h s ALA 16 CO -0.06 -0.19 1.20 -2.00 0.00 0.00 0.00 175.76 174.71 2k8h s GLU 17 N -0.66 0.30 0.00 0.00 2.56 -1.26 -5.10 118.70 114.55 2k8h s GLU 17 Ca 0.08 0.05 0.00 0.00 0.00 0.00 0.00 54.97 55.10 2k8h s GLU 17 Cb -0.02 0.14 0.00 0.00 2.00 0.00 0.00 34.13 36.25 2k8h s GLU 17 CO -0.10 -0.10 0.00 0.41 -0.56 0.00 0.00 175.26 174.91 2k8h n GLY 18 N 0.54 -0.18 3.93 -1.50 0.00 -1.26 -5.18 105.19 101.54 2k8h n GLY 18 Ca -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.00 0.13 2.61 -4.23 -1.26 -5.19 115.64 107.69 2k8h s THR 19 Ca 0.00 -0.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.93 2k8h s THR 19 Cb 0.00 -2.96 0.04 0.00 1.34 0.00 0.00 72.50 70.93 2k8h s THR 19 CO 0.00 0.00 0.60 0.00 -0.54 0.00 0.00 174.62 174.68 2k8h s LYS 21 N -2.03 0.24 -0.29 0.00 2.20 -1.26 -5.04 119.74 113.55 2k8h s LYS 21 Ca 0.13 -0.11 -0.16 0.00 -0.36 0.00 0.00 55.97 55.47 2k8h s LYS 21 Cb -0.02 0.10 0.17 0.00 -1.51 0.00 0.00 37.83 36.57 2k8h s LYS 21 CO 0.04 -0.11 1.06 -2.00 -0.36 0.00 0.00 175.35 173.98 2k8h s GLU 22 N -2.30 0.27 0.00 4.03 -6.30 -1.26 -5.01 118.70 108.13 2k8h s GLU 22 Ca 0.12 0.49 0.00 0.00 -2.50 0.00 0.00 54.97 53.08 2k8h s GLU 22 Cb 0.02 0.09 0.00 0.00 0.00 0.00 0.00 34.13 34.24 2k8h s GLU 22 CO -0.04 -0.06 0.00 -1.91 0.02 0.00 0.00 175.26 173.27 2k8h n GLU 23 N 3.67 0.00 -3.77 4.30 2.13 -1.26 -5.13 120.64 120.58 2k8h n GLU 23 Ca -0.17 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.28 2k8h n GLU 23 Cb 0.57 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.15 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 -2.08 3.86 0.08 6.31 -4.23 -1.26 -4.71 115.64 113.60 2k8h s THR 24 Ca 0.00 -0.83 -0.27 0.00 -1.18 0.00 0.00 61.69 59.41 2k8h s THR 24 Cb 0.00 -3.05 0.08 0.00 1.34 0.00 0.00 72.50 70.88 2k8h s THR 24 CO 0.00 0.01 0.93 0.00 -0.54 0.00 0.00 174.62 175.02 2k8h s ALA 25 N 1.46 -1.74 -0.10 3.99 0.00 -1.26 -5.08 121.76 119.03 2k8h s ALA 25 Ca 0.01 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.57 2k8h s ALA 25 Cb -0.18 0.53 -0.00 0.00 0.00 0.00 0.00 23.12 23.47 2k8h s ALA 25 CO 0.02 -0.87 -0.23 -1.17 0.00 0.00 0.00 175.76 173.51 2k8h s LEU 26 N -2.72 2.15 -0.02 0.00 1.98 -1.26 -2.81 118.68 116.00 2k8h s LEU 26 Ca 0.09 -0.53 0.01 0.00 -2.89 0.00 0.00 54.13 50.80 2k8h s LEU 26 Cb -0.01 -1.42 0.02 0.00 0.66 0.00 0.00 46.19 45.43 2k8h s LEU 26 CO -0.03 0.18 -0.01 -0.69 -1.89 0.00 0.00 176.35 173.91 2k8h s VAL 27 N 0.25 0.17 -0.04 1.68 1.01 -0.45 -4.66 120.40 118.35 2k8h s VAL 27 Ca -0.15 0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 2k8h s VAL 27 Cb -0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 2k8h s VAL 27 CO 0.08 0.11 0.51 0.00 0.00 0.00 0.00 175.10 175.80 2k8h s ALA 28 N 0.66 3.53 -0.05 5.51 0.00 -0.27 -1.49 121.76 129.66 2k8h s ALA 28 Ca -0.06 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 51.85 2k8h s ALA 28 Cb -0.09 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 2k8h s ALA 28 CO -0.01 0.18 -0.23 0.08 0.00 0.00 0.00 175.76 175.77 2k8h s VAL 29 N -0.10 1.90 -0.16 0.00 1.01 -0.49 -1.57 120.40 120.99 2k8h s VAL 29 Ca 0.28 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.27 2k8h s VAL 29 Cb -0.17 -1.60 0.03 0.00 0.00 0.00 0.00 36.38 34.64 2k8h s VAL 29 CO 0.14 0.53 -0.12 -1.59 0.00 0.00 0.00 175.10 174.06 2k8h s LYS 30 N -0.19 2.12 -0.23 2.72 0.00 -0.41 -1.31 119.74 122.44 2k8h s LYS 30 Ca -0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 55.97 55.26 2k8h s LYS 30 Cb -0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 37.83 35.52 2k8h s LYS 30 CO 0.03 -0.30 0.11 0.54 0.00 0.00 0.00 175.35 175.72 2k8h s VAL 31 N 1.49 4.84 0.04 1.79 0.11 -0.44 -1.49 120.40 126.74 2k8h s VAL 31 Ca 0.03 -0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.14 2k8h s VAL 31 Cb -0.14 -3.24 -0.03 0.00 -1.53 0.00 0.00 36.38 31.43 2k8h s VAL 31 CO -0.10 0.36 -0.15 0.54 -3.33 0.00 0.00 175.10 172.42 2k8h s VAL 32 N 1.17 2.98 0.15 2.04 0.11 -0.49 -1.54 120.40 124.81 2k8h s VAL 32 Ca 0.06 -1.11 0.08 0.00 -2.93 0.00 0.00 61.98 58.08 2k8h s VAL 32 Cb -0.14 -2.27 -0.04 0.00 -1.53 0.00 0.00 36.38 32.40 2k8h s VAL 32 CO 0.04 0.34 -0.09 0.20 -3.33 0.00 0.00 175.10 172.26 2k8h s ASN 33 N -1.46 4.33 0.55 3.54 -0.87 0.02 -1.32 114.94 119.74 2k8h s ASN 33 Ca 0.15 -0.49 0.28 0.00 -1.57 0.00 0.00 52.86 51.24 2k8h s ASN 33 Cb -0.11 -0.78 1.63 0.00 -0.02 0.00 0.00 41.25 41.97 2k8h s ASN 33 CO 0.06 0.13 2.16 0.00 -2.57 0.00 0.00 177.10 176.89 2k8h h ALA 34 N 3.21 1.41 0.00 0.60 0.00 -1.88 -1.11 119.26 121.49 2k8h h ALA 34 Ca -0.48 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2k8h h ALA 34 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2k8h h ALA 34 CO 0.53 0.08 -0.44 -0.44 0.00 0.00 0.00 179.25 178.98 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 5.19 -1.95 -3.47 116.42 116.19 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 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2k8h h ASP 35 CO 0.01 0.44 0.00 0.61 -3.12 0.00 0.00 179.24 177.18 2k8h n GLY 36 N 0.90 2.33 3.69 2.75 0.00 -0.42 -5.09 105.19 109.35 2k8h n GLY 36 Ca 0.01 -0.47 -0.52 0.00 0.00 0.00 0.00 46.02 45.04 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 0.46 -3.07 4.61 0.00 -1.26 -4.56 120.51 116.69 2k8h n ALA 37 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 2k8h n ALA 37 Cb 0.00 -2.38 -0.12 0.00 0.00 0.00 0.00 19.45 16.95 2k8h n ALA 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k8h s GLU 38 N 3.61 0.29 -0.17 0.00 2.12 -1.26 -0.80 118.70 122.48 2k8h s GLU 38 Ca 0.94 0.02 -0.15 0.00 0.36 0.00 0.00 54.97 56.14 2k8h s GLU 38 Cb -0.84 0.13 0.05 0.00 0.26 0.00 0.00 34.13 33.73 2k8h s GLU 38 CO 0.56 -0.05 0.46 0.00 -0.54 0.00 0.00 175.26 175.68 2k8h s MET 39 N -0.39 0.52 0.13 4.30 0.23 -0.59 -5.00 119.30 118.50 2k8h s MET 39 Ca -0.05 0.65 0.07 0.00 -1.03 0.00 0.00 55.69 55.33 2k8h s MET 39 Cb -0.03 0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 33.47 2k8h s MET 39 CO 0.01 -0.07 -0.15 -0.59 -2.03 0.00 0.00 175.02 172.18 2k8h s PHE 40 N 0.34 1.52 0.02 3.16 -0.71 -1.26 -1.33 117.98 119.73 2k8h s PHE 40 Ca -0.01 -0.53 -0.27 0.00 -1.04 0.00 0.00 56.93 55.08 2k8h s PHE 40 Cb -0.04 -0.79 0.07 0.00 -1.21 0.00 0.00 43.02 41.05 2k8h s PHE 40 CO -0.01 0.20 0.63 0.12 -1.34 0.00 0.00 175.22 174.82 2k8h s PHE 41 N -2.09 -0.59 -0.22 3.49 5.36 -0.43 -4.99 117.98 118.51 2k8h s PHE 41 Ca 0.11 0.81 -0.18 0.00 -0.96 0.00 0.00 56.93 56.71 2k8h s PHE 41 Cb -0.05 0.44 -0.03 0.00 -0.34 0.00 0.00 43.02 43.03 2k8h s PHE 41 CO 0.04 -0.68 0.51 1.03 -1.46 0.00 0.00 175.22 174.66 2k8h s ARG 42 N -2.05 4.14 0.03 10.12 0.52 -1.26 -1.39 118.95 129.06 2k8h s ARG 42 Ca -0.07 0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 55.41 2k8h s ARG 42 Cb -0.00 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.88 2k8h s ARG 42 CO 0.02 -0.22 0.19 0.42 0.02 0.00 0.00 175.30 175.73 2k8h s ILE 43 N 1.87 0.10 0.20 1.52 1.01 -0.56 -4.97 121.20 120.37 2k8h s ILE 43 Ca 0.23 -0.81 -0.32 0.00 0.00 0.00 0.00 60.65 59.74 2k8h s ILE 43 Cb -0.15 -0.77 -0.15 0.00 0.01 0.00 0.00 42.46 41.40 2k8h s ILE 43 CO 0.09 -0.45 1.29 1.17 0.00 0.00 0.00 174.94 177.05 2k8h n LYS 44 N 0.92 1.58 -0.16 2.79 4.81 -1.25 -1.34 118.16 125.51 2k8h n LYS 44 Ca -0.20 0.56 0.21 0.00 -0.87 0.00 0.00 58.31 58.01 2k8h n LYS 44 Cb 0.58 -2.15 0.59 0.00 0.02 0.00 0.00 35.03 34.07 2k8h n LYS 44 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2k8h h SER 45 N 3.90 0.23 -0.63 3.14 0.87 -1.79 -0.97 113.55 118.30 2k8h h SER 45 Ca -0.44 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 60.26 2k8h h SER 45 Cb 1.31 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 63.16 2k8h h SER 45 CO 0.74 0.10 0.15 -0.09 -0.53 0.00 0.00 176.83 177.19 2k8h h ARG 46 N 0.24 0.27 -3.38 2.24 1.12 -1.84 -3.42 114.38 109.60 2k8h h ARG 46 Ca 0.39 -0.02 -0.26 0.00 -1.11 0.00 0.00 59.98 58.99 2k8h h ARG 46 Cb 1.18 -0.06 -0.32 0.00 -0.01 0.00 0.00 29.97 30.76 2k8h h ARG 46 CO -0.09 0.18 -0.65 0.99 -3.11 0.00 0.00 179.97 177.29 2k8h s THR 47 N -6.10 -0.05 0.44 0.20 2.01 -0.37 -4.76 115.64 107.02 2k8h s THR 47 Ca -0.13 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2k8h s THR 47 Cb 0.18 -0.17 0.00 0.00 0.01 0.00 0.00 72.50 72.52 2k8h s THR 47 CO 0.74 0.07 0.00 0.00 -0.69 0.00 0.00 174.62 174.74 2k8h n ALA 48 N 4.07 0.00 0.26 7.40 0.00 -1.26 -3.95 120.51 127.04 2k8h n ALA 48 Ca -0.25 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.31 2k8h n ALA 48 Cb 0.52 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.69 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 0.13 0.00 7.12 -1.87 -0.02 115.31 120.67 2k8h h LEU 49 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 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 0.11 -0.06 0.11 -0.13 0.00 0.00 178.44 178.47 2k8h h LYS 50 N 0.00 -0.17 0.00 1.25 1.79 -1.91 -0.89 116.57 116.63 2k8h h LYS 50 Ca -0.00 0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.39 2k8h h LYS 50 Cb 0.29 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2k8h h LYS 50 CO 0.01 0.25 -0.45 -0.22 -1.08 0.00 0.00 179.45 177.97 2k8h h LYS 51 N -0.68 0.00 0.20 3.15 3.64 -1.87 -0.83 116.57 120.17 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 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2k8h h LYS 51 CO 0.03 0.45 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.49 2k8h h LEU 52 N 0.00 -0.22 -1.19 5.20 4.07 -1.01 -0.99 115.31 121.16 2k8h h LEU 52 Ca -0.00 -0.31 -0.08 0.00 0.08 0.00 0.00 57.88 57.57 2k8h h LEU 52 Cb 0.88 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 2k8h h LEU 52 CO 0.06 0.28 -0.33 -0.29 -1.08 0.00 0.00 178.44 177.07 2k8h h ILE 53 N -0.82 1.26 -0.14 1.22 2.10 -1.19 -0.94 117.51 119.00 2k8h h ILE 53 Ca -0.03 -1.24 -0.18 0.00 1.08 0.00 0.00 64.86 64.49 2k8h h ILE 53 Cb 0.52 1.59 -0.00 0.00 -1.09 0.00 0.00 36.82 37.83 2k8h h ILE 53 CO 0.04 0.37 -0.66 -0.78 -1.08 0.00 0.00 178.15 176.04 2k8h h ASP 54 N 0.10 0.64 -0.03 2.19 3.58 -1.19 -0.68 116.42 121.03 2k8h h ASP 54 Ca 0.01 -0.38 -0.25 0.00 0.42 0.00 0.00 57.03 56.83 2k8h h ASP 54 Cb 0.65 -0.19 0.02 0.00 1.72 0.00 0.00 39.33 41.53 2k8h h ASP 54 CO 0.05 1.12 -0.97 0.74 -2.88 0.00 0.00 179.24 177.30 2k8h h THR 55 N 0.40 1.28 -0.27 2.25 2.02 -0.91 -1.17 112.91 116.50 2k8h h THR 55 Ca -0.02 -2.17 -0.19 0.00 0.77 0.00 0.00 66.41 64.80 2k8h h THR 55 Cb 1.23 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.91 2k8h h THR 55 CO 0.12 0.68 -0.56 1.88 0.37 0.00 0.00 175.52 178.00 2k8h h TYR 56 N 0.43 1.09 0.01 3.16 0.05 -1.20 -1.08 116.97 119.44 2k8h h TYR 56 Ca -0.11 -0.40 -0.00 0.00 0.05 0.00 0.00 58.73 58.27 2k8h h TYR 56 Cb 1.61 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 39.15 2k8h h TYR 56 CO 0.10 1.23 -0.00 0.00 -1.05 0.00 0.00 178.16 178.43 2k8h h LYS 58 N -0.54 1.03 -0.19 0.00 1.79 -1.28 -0.61 116.57 116.77 2k8h h LYS 58 Ca -0.00 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2k8h h LYS 58 Cb 0.52 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2k8h h LYS 58 CO 0.00 0.75 0.00 -0.22 -1.08 0.00 0.00 179.45 178.91 2k8h h LYS 59 N 1.03 0.33 0.00 3.15 1.63 -1.23 -2.58 116.57 118.90 2k8h h LYS 59 Ca 0.26 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 2k8h h LYS 59 Cb 0.01 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2k8h h LYS 59 CO -0.05 0.53 0.00 0.37 -3.45 0.00 0.00 179.45 176.86 2k8h h GLN 60 N 0.09 0.00 -0.03 1.90 4.15 -0.95 -3.46 115.11 116.82 2k8h h GLN 60 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2k8h h GLN 60 Cb 0.38 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.07 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 0.61 2.99 2.39 0.00 -0.49 -5.07 105.19 104.98 2k8h n GLY 61 Ca -0.01 -0.76 -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 -2.03 -0.02 1.25 -0.61 -5.25 -0.36 -5.03 121.20 109.16 2k8h s ILE 62 Ca 0.00 0.07 -0.16 0.00 -0.99 0.00 0.00 60.65 59.57 2k8h s ILE 62 Cb 0.00 -0.24 0.30 0.00 2.95 0.00 0.00 42.46 45.47 2k8h s ILE 62 CO 0.00 0.03 0.84 -0.24 -1.79 0.00 0.00 174.94 173.78 2k8h n SER 63 N 3.52 -2.52 -2.49 4.36 2.88 -1.26 -4.16 113.62 113.96 2k8h n SER 63 Ca -0.18 -0.36 -0.24 0.00 -1.33 0.00 0.00 58.87 56.75 2k8h n SER 63 Cb 0.56 -1.14 -0.08 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 -4.79 2.57 -1.44 -1.46 0.00 -1.26 -4.20 116.66 106.08 2k8h n ARG 64 Ca 0.04 -2.06 0.01 0.00 -0.00 0.00 0.00 57.85 55.84 2k8h n ARG 64 Cb 0.56 -2.18 0.09 0.00 -0.00 0.00 0.00 32.46 30.92 2k8h n ARG 64 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2k8h n ASN 65 N 1.55 1.72 -0.78 2.89 5.15 -1.26 -4.74 115.26 119.79 2k8h n ASN 65 Ca 0.50 -2.81 -0.01 0.00 -0.60 0.00 0.00 54.58 51.66 2k8h n ASN 65 Cb 0.61 -0.40 -0.01 0.00 -0.53 0.00 0.00 39.78 39.44 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2k8h n SER 66 N -0.31 -0.10 -3.62 1.20 2.88 -1.26 -3.70 113.62 108.71 2k8h n SER 66 Ca 0.14 -1.63 -0.06 0.00 -1.33 0.00 0.00 58.87 55.99 2k8h n SER 66 Cb 0.93 -0.01 -0.08 0.00 -0.75 0.00 0.00 64.21 64.30 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 0.00 -0.74 -0.41 2.46 -7.23 -1.26 -4.80 120.40 108.42 2k8h s VAL 67 Ca 0.05 0.11 -0.14 0.00 -1.81 0.00 0.00 61.98 60.19 2k8h s VAL 67 Cb 0.06 -0.77 0.03 0.00 0.56 0.00 0.00 36.38 36.26 2k8h s VAL 67 CO -0.03 0.04 0.29 -0.60 -0.31 0.00 0.00 175.10 174.49 2k8h s ARG 68 N 2.69 2.94 -0.43 4.82 3.52 -0.52 -4.89 118.95 127.07 2k8h s ARG 68 Ca -0.01 -1.06 -0.21 0.00 -0.13 0.00 0.00 55.73 54.32 2k8h s ARG 68 Cb -0.12 -3.94 0.02 0.00 -1.56 0.00 0.00 34.95 29.35 2k8h s ARG 68 CO -0.15 -0.76 0.67 -0.06 -0.81 0.00 0.00 175.30 174.20 2k8h s PHE 69 N 1.65 3.06 0.08 5.12 0.40 -1.26 -1.33 117.98 125.70 2k8h s PHE 69 Ca 0.04 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.49 2k8h s PHE 69 Cb -0.19 -3.39 -0.04 0.00 0.51 0.00 0.00 43.02 39.91 2k8h s PHE 69 CO 0.09 -0.86 -0.11 -0.48 0.70 0.00 0.00 175.22 174.56 2k8h s LEU 70 N 2.91 2.97 -0.25 -0.37 0.05 -1.02 -1.08 118.68 121.89 2k8h s LEU 70 Ca 0.24 -0.36 0.01 0.00 0.05 0.00 0.00 54.13 54.07 2k8h s LEU 70 Cb -0.14 -1.76 0.07 0.00 -2.05 0.00 0.00 46.19 42.31 2k8h s LEU 70 CO 0.19 0.21 -0.02 0.12 -0.55 0.00 0.00 176.35 176.31 2k8h s PHE 71 N -1.12 2.37 -1.45 3.48 5.36 -0.40 -1.23 117.98 124.99 2k8h s PHE 71 Ca 0.19 -1.84 -0.08 0.00 -0.96 0.00 0.00 56.93 54.24 2k8h s PHE 71 Cb -0.11 -1.71 0.04 0.00 -0.34 0.00 0.00 43.02 40.90 2k8h s PHE 71 CO 0.11 -0.80 0.69 -3.47 -1.46 0.00 0.00 175.22 170.29 2k8h n ASP 72 N 4.67 -5.14 0.00 6.13 -0.08 -1.26 -0.92 116.55 119.95 2k8h n ASP 72 Ca -0.09 -0.43 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 2k8h n ASP 72 Cb 0.44 -4.16 0.00 0.00 2.34 0.00 0.00 41.12 39.74 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 -1.48 0.83 3.13 0.27 0.00 -1.26 -5.02 105.19 101.65 2k8h n GLY 73 Ca -0.04 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 4.39 -0.65 2.61 2.01 -0.10 -4.94 115.64 116.96 2k8h s THR 74 Ca 0.00 -3.57 -0.26 0.00 0.31 0.00 0.00 61.69 58.17 2k8h s THR 74 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2k8h s THR 74 CO 0.00 -1.05 1.88 -2.16 -0.69 0.00 0.00 174.62 172.60 2k8h s PRO 75 N -0.99 2.61 -0.07 4.92 0.04 -1.26 -1.28 135.00 138.97 2k8h s PRO 75 Ca 0.25 0.48 -0.14 0.00 0.04 0.00 0.00 61.00 61.62 2k8h s PRO 75 Cb -0.10 -4.49 0.03 0.00 0.04 0.00 0.00 34.50 29.98 2k8h s PRO 75 CO -0.10 -2.83 0.34 0.42 0.04 0.00 0.00 177.00 174.87 2k8h s ILE 76 N 9.25 0.03 -0.66 0.56 1.01 -0.24 -4.94 121.20 126.21 2k8h s ILE 76 Ca 0.68 -0.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.03 2k8h s ILE 76 Cb -0.12 -0.58 0.17 0.00 0.01 0.00 0.00 42.46 41.95 2k8h s ILE 76 CO 0.17 -0.14 0.50 -0.62 0.00 0.00 0.00 174.94 174.85 2k8h s ASP 77 N -0.66 5.46 -0.03 3.58 2.15 -1.26 -4.43 116.67 121.48 2k8h s ASP 77 Ca -0.08 -2.87 -0.30 0.00 0.43 0.00 0.00 52.55 49.74 2k8h s ASP 77 Cb -0.04 -1.91 0.12 0.00 -0.30 0.00 0.00 42.92 40.79 2k8h s ASP 77 CO 0.03 -0.39 1.32 -1.61 -0.17 0.00 0.00 175.17 174.35 2k8h s GLU 78 N -0.08 0.31 -0.00 4.34 2.02 -1.26 -5.03 118.70 118.99 2k8h s GLU 78 Ca 0.17 -0.18 0.05 0.00 0.02 0.00 0.00 54.97 55.04 2k8h s GLU 78 Cb -0.19 0.10 0.15 0.00 0.10 0.00 0.00 34.13 34.30 2k8h s GLU 78 CO -0.04 -0.14 1.13 -2.37 0.02 0.00 0.00 175.26 173.85 2k8h n THR 79 N -0.65 1.02 -0.03 3.63 5.66 -1.26 -4.54 114.28 118.10 2k8h n THR 79 Ca -0.04 -1.02 -0.03 0.00 -3.05 0.00 0.00 64.05 59.90 2k8h n THR 79 Cb 0.61 0.48 -0.05 0.00 -1.55 0.00 0.00 70.33 69.83 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 -0.03 2.72 0.19 1.09 4.76 -1.26 -4.19 118.16 121.44 2k8h n LYS 80 Ca 0.06 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.39 2k8h n LYS 80 Cb 0.34 -1.16 -0.06 0.00 -1.84 0.00 0.00 35.03 32.31 2k8h n LYS 80 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2k8h h THR 81 N 0.00 0.36 0.00 -0.18 2.02 -1.95 -1.03 112.91 112.13 2k8h h THR 81 Ca -0.17 -0.64 -0.08 0.00 0.77 0.00 0.00 66.41 66.29 2k8h h THR 81 Cb 1.37 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2k8h h THR 81 CO 0.01 0.08 -0.39 1.55 0.37 0.00 0.00 175.52 177.13 2k8h h PRO 82 N -1.00 0.00 0.01 6.66 0.13 -1.85 -0.94 132.00 135.00 2k8h h PRO 82 Ca -0.05 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.82 2k8h h PRO 82 Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.68 2k8h h PRO 82 CO 0.09 0.39 -1.01 1.05 -0.23 0.00 0.00 178.00 178.29 2k8h h GLU 83 N 0.00 0.58 0.00 0.86 -0.00 -1.73 -0.40 114.58 113.89 2k8h h GLU 83 Ca -0.00 -0.63 -0.11 0.00 -0.00 0.00 0.00 59.36 58.62 2k8h h GLU 83 Cb 0.79 0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 29.70 2k8h h GLU 83 CO 0.05 1.24 -0.52 1.05 -0.00 0.00 0.00 179.01 180.83 2k8h h GLU 84 N 0.32 0.00 0.07 1.06 4.11 -1.09 0.79 114.58 119.84 2k8h h GLU 84 Ca -0.11 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.03 2k8h h GLU 84 Cb 1.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.89 2k8h h GLU 84 CO 0.19 0.52 -1.50 1.25 0.07 0.00 0.00 179.01 179.53 2k8h h LEU 85 N 0.00 0.25 0.03 3.06 6.46 -1.19 -3.39 115.31 120.52 2k8h h LEU 85 Ca -0.01 -0.36 -0.27 0.00 -0.12 0.00 0.00 57.88 57.12 2k8h h LEU 85 Cb 1.40 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 41.22 2k8h h LEU 85 CO 0.07 1.30 -1.48 0.61 -0.62 0.00 0.00 178.44 178.32 2k8h n GLY 86 N 1.61 -0.76 2.83 3.75 0.00 -0.16 -4.98 105.19 107.47 2k8h n GLY 86 Ca -0.15 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.22 -3.66 -4.21 1.61 2.81 0.27 -4.97 117.12 104.75 2k8h n MET 87 Ca -0.33 0.88 -0.12 0.00 -1.81 0.00 0.00 57.70 56.32 2k8h n MET 87 Cb 0.77 -5.66 -0.10 0.00 -0.71 0.00 0.00 33.22 27.52 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 -5.49 1.05 -0.10 0.03 -1.05 -1.26 -5.03 118.70 106.84 2k8h s GLU 88 Ca 0.20 -1.50 0.07 0.00 -0.15 0.00 0.00 54.97 53.60 2k8h s GLU 88 Cb -0.09 -0.10 0.39 0.00 -0.44 0.00 0.00 34.13 33.89 2k8h s GLU 88 CO 0.25 -0.17 1.13 -0.40 0.95 0.00 0.00 175.26 177.02 2k8h n ASP 89 N -0.19 3.09 -2.31 0.83 5.68 -1.26 -4.03 116.55 118.36 2k8h n ASP 89 Ca -0.06 -2.38 -0.20 0.00 -0.50 0.00 0.00 54.79 51.65 2k8h n ASP 89 Cb 0.63 -0.54 0.02 0.00 -1.14 0.00 0.00 41.12 40.10 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 0.35 4.09 -4.63 -1.12 8.00 -1.19 -1.11 116.55 120.94 2k8h n ASP 90 Ca 0.13 -3.40 -0.43 0.00 0.71 0.00 0.00 54.79 51.80 2k8h n ASP 90 Cb 0.65 -0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 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 6.60 0.11 -2.24 2.15 -0.61 -4.92 116.67 114.18 2k8h s ASP 91 Ca 0.45 1.25 0.05 0.00 0.43 0.00 0.00 52.55 54.73 2k8h s ASP 91 Cb 0.40 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.44 2k8h s ASP 91 CO -0.03 -1.13 0.02 0.68 -0.17 0.00 0.00 175.17 174.53 2k8h s VAL 92 N 4.58 4.06 -0.13 1.11 -7.23 -1.26 -1.29 120.40 120.24 2k8h s VAL 92 Ca 0.59 -1.04 -0.05 0.00 -1.81 0.00 0.00 61.98 59.67 2k8h s VAL 92 Cb -0.18 -2.96 0.06 0.00 0.56 0.00 0.00 36.38 33.86 2k8h s VAL 92 CO 0.25 0.07 0.27 0.27 -0.31 0.00 0.00 175.10 175.65 2k8h s ILE 93 N -1.41 -0.39 -0.30 -0.62 -4.36 -0.55 -4.30 121.20 109.26 2k8h s ILE 93 Ca 0.27 0.26 -0.11 0.00 -0.26 0.00 0.00 60.65 60.81 2k8h s ILE 93 Cb -0.11 -0.45 -0.03 0.00 1.25 0.00 0.00 42.46 43.12 2k8h s ILE 93 CO 0.19 0.11 0.18 -0.62 0.24 0.00 0.00 174.94 175.04 2k8h s ASP 94 N 2.31 5.83 -0.27 4.36 -1.08 -0.36 -1.40 116.67 126.06 2k8h s ASP 94 Ca -0.00 -0.28 -0.27 0.00 -0.52 0.00 0.00 52.55 51.48 2k8h s ASP 94 Cb -0.12 -2.08 0.01 0.00 -1.46 0.00 0.00 42.92 39.27 2k8h s ASP 94 CO -0.09 -0.14 0.97 0.00 0.52 0.00 0.00 175.17 176.43 2k8h s ALA 95 N 1.70 3.61 0.17 3.66 0.00 -0.43 -2.43 121.76 128.03 2k8h s ALA 95 Ca 0.06 -0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.08 2k8h s ALA 95 Cb -0.17 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 2k8h s ALA 95 CO 0.09 -1.16 -0.21 -1.64 0.00 0.00 0.00 175.76 172.84 2k8h s MET 96 N 3.21 1.34 -0.02 0.00 -1.94 -0.44 -3.76 119.30 117.70 2k8h s MET 96 Ca 0.41 -1.42 -0.25 0.00 -1.71 0.00 0.00 55.69 52.72 2k8h s MET 96 Cb -0.14 -1.53 -0.04 0.00 2.01 0.00 0.00 34.83 35.12 2k8h s MET 96 CO 0.10 0.33 0.76 0.14 -0.01 0.00 0.00 175.02 176.33 2k8h s VAL 97 N -1.78 4.91 -0.71 -6.03 -7.23 -1.26 -1.44 120.40 106.85 2k8h s VAL 97 Ca 0.16 1.60 0.04 0.00 -1.81 0.00 0.00 61.98 61.96 2k8h s VAL 97 Cb -0.07 -4.10 0.30 0.00 0.56 0.00 0.00 36.38 33.07 2k8h s VAL 97 CO 0.07 0.28 1.05 -0.62 -0.31 0.00 0.00 175.10 175.58 2k8h n GLU 98 N 3.43 3.42 -2.32 4.82 -0.58 -1.26 -4.82 120.64 123.32 2k8h n GLU 98 Ca -0.01 -4.74 -0.18 0.00 -0.42 0.00 0.00 57.16 51.82 2k8h n GLU 98 Cb 0.51 -2.31 -0.02 0.00 -0.57 0.00 0.00 31.44 29.06 2k8h n GLU 98 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2k8h n GLN 99 N 0.34 -1.84 -2.79 3.49 7.27 -1.26 -3.73 117.38 118.85 2k8h n GLN 99 Ca 0.32 0.87 -0.01 0.00 0.07 0.00 0.00 57.00 58.25 2k8h n GLN 99 Cb 0.37 -5.48 -0.01 0.00 2.41 0.00 0.00 30.24 27.53 2k8h n GLN 99 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2k8h n THR 100 N -3.60-10.04 -2.02 1.69 -1.04 -1.26 -4.88 114.28 93.13 2k8h n THR 100 Ca -0.21 1.73 -0.41 0.00 -2.04 0.00 0.00 64.05 63.12 2k8h n THR 100 Cb 0.65 -6.00 -0.02 0.00 -1.82 0.00 0.00 70.33 63.14 2k8h n THR 100 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k8h s GLY 101 N -1.27 2.52 0.00 3.41 0.00 -1.24 -5.06 107.32 105.68 2k8h s GLY 101 Ca -0.06 1.33 0.31 0.00 0.00 0.00 0.00 44.72 46.30 2k8h s GLY 101 CO 0.62 2.19 2.10 0.61 0.00 0.00 0.00 173.10 178.63