#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 -0.29 0.40 7.83 1.04 -1.26 -5.19 113.70 116.23 2k8h s SER 2 Ca 0.00 0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.85 2k8h s SER 2 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 2k8h s SER 2 CO 0.00 -0.23 0.08 0.54 0.98 0.00 0.00 173.24 174.62 2k8h s ASN 3 N -0.79 2.89 0.00 7.02 2.20 -1.26 -5.11 114.94 119.89 2k8h s ASN 3 Ca 0.02 -1.57 0.00 0.00 -0.94 0.00 0.00 52.86 50.37 2k8h s ASN 3 Cb -0.02 0.30 0.00 0.00 -2.00 0.00 0.00 41.25 39.53 2k8h s ASN 3 CO -0.03 -0.80 0.00 0.59 -2.94 0.00 0.00 177.10 173.92 2k8h n ASN 4 N -1.10 0.00 0.00 3.54 3.02 -1.26 -5.18 115.26 114.28 2k8h n ASN 4 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2k8h n ASN 4 Cb 0.66 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 2k8h n ASN 4 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k8h n GLY 5 N 2.51 2.25 3.64 7.41 0.00 -1.26 -5.10 105.19 114.64 2k8h n GLY 5 Ca 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.64 0.52 -0.02 0.00 -1.26 -5.17 107.32 100.76 2k8h s GLY 6 Ca 0.00 2.44 -0.07 0.00 0.00 0.00 0.00 44.72 47.09 2k8h s GLY 6 CO 0.00 2.64 0.85 -0.54 0.00 0.00 0.00 173.10 176.05 2k8h s GLU 7 N 2.04 3.49 0.34 2.90 8.01 -1.26 -5.09 118.70 129.13 2k8h s GLU 7 Ca -0.09 0.30 -0.06 0.00 0.01 0.00 0.00 54.97 55.14 2k8h s GLU 7 Cb -0.07 -2.30 0.08 0.00 -4.31 0.00 0.00 34.13 27.53 2k8h s GLU 7 CO -0.19 -0.34 0.30 -0.35 0.01 0.00 0.00 175.26 174.69 2k8h n PRO 8 N -2.40 -1.61 -2.75 0.39 -0.04 -1.26 -5.07 135.00 122.26 2k8h n PRO 8 Ca 0.02 -0.48 -0.08 0.00 -0.04 0.00 0.00 63.50 62.92 2k8h n PRO 8 Cb 0.55 -0.45 0.05 0.00 -0.04 0.00 0.00 33.50 33.61 2k8h n PRO 8 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2k8h n SER 9 N -3.52 -2.93 -4.89 3.54 7.64 -1.26 -5.15 113.62 107.06 2k8h n SER 9 Ca 0.04 -3.26 -0.34 0.00 1.01 0.00 0.00 58.87 56.32 2k8h n SER 9 Cb 0.16 1.82 -0.05 0.00 -1.01 0.00 0.00 64.21 65.13 2k8h n SER 9 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k8h s ASN 10 N -1.50 6.33 0.00 6.43 4.22 -1.26 -4.95 114.94 124.21 2k8h s ASN 10 Ca 0.32 0.36 0.00 0.00 -2.14 0.00 0.00 52.86 51.40 2k8h s ASN 10 Cb 0.21 -1.99 0.00 0.00 1.28 0.00 0.00 41.25 40.75 2k8h s ASN 10 CO -0.23 0.29 0.00 -0.46 -2.04 0.00 0.00 177.10 174.66 2k8h n ASN 11 N 1.16 0.00 0.00 3.54 6.94 -1.26 -5.10 115.26 120.54 2k8h n ASN 11 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.43 2k8h n ASN 11 Cb 0.53 0.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 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 0.33 2.00 0.00 4.83 0.00 -1.26 -4.29 105.19 106.79 2k8h n GLY 12 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2k8h n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8h n GLY 13 N 0.00 -1.89 3.87 -0.02 0.00 -1.26 -5.17 105.19 100.72 2k8h n GLY 13 Ca 0.00 0.92 -0.30 0.00 0.00 0.00 0.00 46.02 46.64 2k8h n GLY 13 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k8h s GLU 14 N 0.00 2.48 0.00 1.61 -1.05 -1.26 -5.04 118.70 115.44 2k8h s GLU 14 Ca 0.00 0.41 0.00 0.00 -0.15 0.00 0.00 54.97 55.23 2k8h s GLU 14 Cb 0.00 -1.98 0.00 0.00 -0.44 0.00 0.00 34.13 31.71 2k8h s GLU 14 CO 0.00 -1.29 0.00 0.41 0.95 0.00 0.00 175.26 175.33 2k8h n GLY 15 N -2.91 4.48 3.65 -3.83 0.00 -1.26 -5.18 105.19 100.14 2k8h n GLY 15 Ca 0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.35 -2.20 0.10 4.61 0.00 -1.26 -5.19 121.76 117.46 2k8h s ALA 16 Ca 0.00 1.70 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 2k8h s ALA 16 Cb 0.00 -1.74 0.05 0.00 0.00 0.00 0.00 23.12 21.43 2k8h s ALA 16 CO 0.00 -0.12 0.74 -1.91 0.00 0.00 0.00 175.76 174.47 2k8h n GLU 17 N 1.55 0.38 0.00 0.00 0.00 -1.26 -5.16 120.64 116.15 2k8h n GLU 17 Ca -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 57.16 56.15 2k8h n GLU 17 Cb 0.57 1.27 0.00 0.00 0.00 0.00 0.00 31.44 33.28 2k8h n GLU 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k8h n GLY 18 N -0.52 1.79 3.15 8.31 0.00 -1.26 -5.12 105.19 111.54 2k8h n GLY 18 Ca -0.01 -1.15 0.04 0.00 0.00 0.00 0.00 46.02 44.90 2k8h n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8h s THR 19 N 0.00 -0.98 0.08 2.61 2.01 -1.26 -5.16 115.64 112.94 2k8h s THR 19 Ca 0.00 0.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.88 2k8h s THR 19 Cb 0.00 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.54 2k8h s THR 19 CO 0.00 0.00 0.27 0.00 -0.69 0.00 0.00 174.62 174.20 2k8h s LYS 21 N -3.40 0.66 -0.00 0.00 -2.85 -1.26 -5.15 119.74 107.73 2k8h s LYS 21 Ca 0.01 1.17 -0.02 0.00 -1.00 0.00 0.00 55.97 56.13 2k8h s LYS 21 Cb 0.02 0.20 0.01 0.00 -2.06 0.00 0.00 37.83 35.99 2k8h s LYS 21 CO -0.09 -0.15 0.10 -1.91 0.10 0.00 0.00 175.35 173.41 2k8h n GLU 22 N 4.34 0.01 -1.32 1.78 2.13 -1.26 -5.17 120.64 121.16 2k8h n GLU 22 Ca -0.19 -0.06 0.17 0.00 0.66 0.00 0.00 57.16 57.74 2k8h n GLU 22 Cb 0.58 0.10 -0.06 0.00 0.27 0.00 0.00 31.44 32.33 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 -0.07 -2.81 -4.75 5.31 1.02 -1.26 -4.86 120.64 113.22 2k8h n GLU 23 Ca 0.00 2.05 -0.33 0.00 -0.02 0.00 0.00 57.16 58.86 2k8h n GLU 23 Cb 0.04 -3.37 -0.14 0.00 -0.02 0.00 0.00 31.44 27.95 2k8h n GLU 23 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2k8h s THR 24 N -2.91 3.12 -0.20 2.62 -4.23 -1.26 -5.10 115.64 107.68 2k8h s THR 24 Ca 0.00 -0.64 -0.14 0.00 -1.18 0.00 0.00 61.69 59.73 2k8h s THR 24 Cb 0.00 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.59 2k8h s THR 24 CO 0.00 0.52 0.50 0.00 -0.54 0.00 0.00 174.62 175.11 2k8h s ALA 25 N 0.31 -1.29 -0.12 3.99 0.00 -1.26 -5.02 121.76 118.37 2k8h s ALA 25 Ca -0.10 1.67 -0.04 0.00 0.00 0.00 0.00 51.96 53.49 2k8h s ALA 25 Cb -0.16 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.02 2k8h s ALA 25 CO 0.05 -0.28 0.07 -0.51 0.00 0.00 0.00 175.76 175.10 2k8h s LEU 26 N 1.01 0.37 -0.06 0.00 1.02 -1.26 -3.21 118.68 116.54 2k8h s LEU 26 Ca -0.06 -0.37 -0.09 0.00 0.02 0.00 0.00 54.13 53.64 2k8h s LEU 26 Cb -0.06 -0.25 0.02 0.00 0.02 0.00 0.00 46.19 45.92 2k8h s LEU 26 CO -0.09 -0.30 0.22 0.68 0.02 0.00 0.00 176.35 176.87 2k8h s VAL 27 N 2.11 0.02 -0.13 -1.59 -7.23 -0.62 -4.72 120.40 108.24 2k8h s VAL 27 Ca 0.03 -0.20 -0.07 0.00 -1.81 0.00 0.00 61.98 59.92 2k8h s VAL 27 Cb -0.15 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 2k8h s VAL 27 CO -0.07 -0.11 0.13 0.00 -0.31 0.00 0.00 175.10 174.74 2k8h s ALA 28 N -0.37 3.82 0.05 1.32 0.00 -0.26 -1.42 121.76 124.91 2k8h s ALA 28 Ca -0.05 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.35 2k8h s ALA 28 Cb -0.03 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 21.08 2k8h s ALA 28 CO 0.01 0.55 -0.26 0.08 0.00 0.00 0.00 175.76 176.14 2k8h s VAL 29 N -0.81 2.11 -0.18 0.00 1.01 -0.42 -1.66 120.40 120.45 2k8h s VAL 29 Ca 0.14 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 2k8h s VAL 29 Cb -0.12 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.50 2k8h s VAL 29 CO 0.03 0.34 -0.02 -0.75 0.00 0.00 0.00 175.10 174.70 2k8h s LYS 30 N -1.29 1.13 -0.24 2.72 2.20 -0.28 -1.35 119.74 122.63 2k8h s LYS 30 Ca 0.12 -0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 55.07 2k8h s LYS 30 Cb -0.10 -2.06 -0.04 0.00 -1.51 0.00 0.00 37.83 34.12 2k8h s LYS 30 CO 0.02 -0.52 0.33 0.54 -0.36 0.00 0.00 175.35 175.36 2k8h s VAL 31 N 1.70 5.22 0.25 4.02 0.11 -0.40 -1.45 120.40 129.85 2k8h s VAL 31 Ca -0.01 0.52 0.11 0.00 -2.93 0.00 0.00 61.98 59.67 2k8h s VAL 31 Cb -0.16 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 30.98 2k8h s VAL 31 CO -0.07 0.23 -0.12 0.68 -3.33 0.00 0.00 175.10 172.48 2k8h s VAL 32 N 1.62 2.89 0.08 2.04 -7.23 -0.51 -1.38 120.40 117.90 2k8h s VAL 32 Ca 0.14 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2k8h s VAL 32 Cb -0.15 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2k8h s VAL 32 CO 0.08 -0.32 -0.10 0.20 -0.31 0.00 0.00 175.10 174.65 2k8h s ASN 33 N -3.39 1.34 0.58 4.85 0.01 -0.88 -1.30 114.94 116.15 2k8h s ASN 33 Ca 0.29 -0.70 0.32 0.00 -0.71 0.00 0.00 52.86 52.06 2k8h s ASN 33 Cb -0.06 0.00 1.82 0.00 0.41 0.00 0.00 41.25 43.42 2k8h s ASN 33 CO 0.16 -0.21 2.22 0.00 -1.51 0.00 0.00 177.10 177.76 2k8h h ALA 34 N 3.97 1.32 0.00 0.60 0.00 -1.89 -0.84 119.26 122.42 2k8h h ALA 34 Ca -0.38 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 2k8h h ALA 34 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2k8h h ALA 34 CO 0.47 0.05 -0.43 -0.44 0.00 0.00 0.00 179.25 178.89 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 5.19 -1.95 -3.47 116.42 116.18 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 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 2k8h h ASP 35 CO 0.00 0.43 0.00 0.61 -3.12 0.00 0.00 179.24 177.17 2k8h n GLY 36 N 0.89 2.97 3.69 2.75 0.00 -0.32 -5.08 105.19 110.08 2k8h n GLY 36 Ca 0.01 -0.86 -0.52 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.91 4.61 0.00 -1.26 -4.58 120.51 116.73 2k8h n ALA 37 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 2k8h n ALA 37 Cb 0.00 -2.35 -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 3.36 0.82 -0.27 0.00 -1.05 -1.26 -2.08 118.70 118.22 2k8h s GLU 38 Ca 0.93 -0.62 -0.22 0.00 -0.15 0.00 0.00 54.97 54.92 2k8h s GLU 38 Cb -0.86 0.35 0.07 0.00 -0.44 0.00 0.00 34.13 33.25 2k8h s GLU 38 CO 0.56 -0.26 0.70 0.00 0.95 0.00 0.00 175.26 177.20 2k8h s MET 39 N -2.87 0.78 0.06 -4.83 0.23 -0.48 -5.01 119.30 107.18 2k8h s MET 39 Ca -0.03 1.05 0.06 0.00 -1.03 0.00 0.00 55.69 55.74 2k8h s MET 39 Cb 0.00 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 2k8h s MET 39 CO -0.05 -0.11 -0.17 -0.59 -2.03 0.00 0.00 175.02 172.06 2k8h s PHE 40 N 0.75 1.47 0.18 3.16 -0.71 -1.26 -1.28 117.98 120.28 2k8h s PHE 40 Ca -0.03 -0.39 -0.22 0.00 -1.04 0.00 0.00 56.93 55.25 2k8h s PHE 40 Cb -0.05 -0.85 0.06 0.00 -1.21 0.00 0.00 43.02 40.97 2k8h s PHE 40 CO -0.05 0.09 0.60 0.12 -1.34 0.00 0.00 175.22 174.63 2k8h s PHE 41 N -0.98 -0.44 0.01 3.49 5.36 -0.46 -4.99 117.98 119.97 2k8h s PHE 41 Ca 0.03 0.18 -0.16 0.00 -0.96 0.00 0.00 56.93 56.02 2k8h s PHE 41 Cb -0.09 0.55 -0.06 0.00 -0.34 0.00 0.00 43.02 43.08 2k8h s PHE 41 CO 0.02 -0.90 0.45 1.03 -1.46 0.00 0.00 175.22 174.36 2k8h s ARG 42 N -3.79 4.00 0.15 10.12 1.81 -1.26 -1.30 118.95 128.69 2k8h s ARG 42 Ca 0.03 0.49 -0.23 0.00 -1.72 0.00 0.00 55.73 54.29 2k8h s ARG 42 Cb -0.01 -3.24 0.07 0.00 -0.45 0.00 0.00 34.95 31.32 2k8h s ARG 42 CO -0.09 0.65 0.61 -1.50 -0.68 0.00 0.00 175.30 174.29 2k8h s ILE 43 N -1.00 0.00 0.21 1.52 2.07 -0.50 -4.98 121.20 118.52 2k8h s ILE 43 Ca 0.25 0.00 -0.32 0.00 -1.41 0.00 0.00 60.65 59.17 2k8h s ILE 43 Cb -0.17 -1.00 -0.13 0.00 0.13 0.00 0.00 42.46 41.29 2k8h s ILE 43 CO 0.14 0.00 1.55 0.29 -1.91 0.00 0.00 174.94 175.01 2k8h n LYS 44 N -0.37 2.29 -0.29 3.50 5.02 -1.25 -1.59 118.16 125.47 2k8h n LYS 44 Ca -0.17 0.82 0.06 0.00 -2.02 0.00 0.00 58.31 57.01 2k8h n LYS 44 Cb 0.65 -2.57 0.21 0.00 -0.02 0.00 0.00 35.03 33.30 2k8h n LYS 44 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2k8h h SER 45 N 5.33 0.52 -0.93 4.39 4.64 -1.82 0.12 113.55 125.80 2k8h h SER 45 Ca -0.45 0.09 0.26 0.00 -0.47 0.00 0.00 61.79 61.22 2k8h h SER 45 Cb 1.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 2k8h h SER 45 CO 0.84 0.23 0.66 0.03 -0.87 0.00 0.00 176.83 177.72 2k8h h ARG 46 N 0.63 0.07 -2.73 4.77 2.47 -1.87 -3.34 114.38 114.39 2k8h h ARG 46 Ca 0.45 -0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.70 2k8h h ARG 46 Cb 0.61 -0.02 -0.39 0.00 -1.65 0.00 0.00 29.97 28.52 2k8h h ARG 46 CO -0.35 0.05 -0.74 0.95 0.56 0.00 0.00 179.97 180.44 2k8h s THR 47 N -5.06 -0.15 0.15 2.04 -4.23 0.42 -4.89 115.64 103.92 2k8h s THR 47 Ca -0.06 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 2k8h s THR 47 Cb 0.22 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 73.20 2k8h s THR 47 CO 0.78 -0.54 0.00 0.00 -0.54 0.00 0.00 174.62 174.32 2k8h n ALA 48 N 5.27 3.00 0.26 3.99 0.00 -1.23 -3.94 120.51 127.87 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 0.45 0.01 0.70 0.00 0.00 0.00 0.00 19.45 20.61 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 0.20 0.00 7.12 -1.89 -0.51 115.31 120.22 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 0.13 -0.09 0.11 -0.13 0.00 0.00 178.44 178.46 2k8h h LYS 50 N 0.00 -0.25 0.00 1.25 1.79 -1.89 -1.15 116.57 116.31 2k8h h LYS 50 Ca -0.00 0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.38 2k8h h LYS 50 Cb 0.38 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2k8h h LYS 50 CO 0.02 0.10 -0.51 -0.22 -1.08 0.00 0.00 179.45 177.76 2k8h h LYS 51 N -0.67 0.00 0.12 3.15 3.64 -1.84 -0.68 116.57 120.30 2k8h h LYS 51 Ca -0.03 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 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.61 2k8h h LEU 52 N 0.00 -0.13 -0.69 5.20 -0.00 -1.08 0.25 115.31 118.85 2k8h h LEU 52 Ca -0.01 -0.32 -0.14 0.00 -0.00 0.00 0.00 57.88 57.41 2k8h h LEU 52 Cb 1.00 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.68 2k8h h LEU 52 CO 0.07 0.27 -0.63 0.16 -0.00 0.00 0.00 178.44 178.31 2k8h h ILE 53 N -0.56 1.42 -0.04 1.22 -0.00 -1.23 -0.50 117.51 117.83 2k8h h ILE 53 Ca -0.02 -2.09 -0.05 0.00 -0.00 0.00 0.00 64.86 62.71 2k8h h ILE 53 Cb 0.45 2.10 0.00 0.00 -0.00 0.00 0.00 36.82 39.37 2k8h h ILE 53 CO 0.03 0.61 -0.16 -0.78 -0.00 0.00 0.00 178.15 177.84 2k8h h ASP 54 N 0.08 0.20 -0.26 2.16 3.58 -1.12 -0.71 116.42 120.36 2k8h h ASP 54 Ca -0.01 -0.65 -0.15 0.00 0.42 0.00 0.00 57.03 56.64 2k8h h ASP 54 Cb 1.12 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2k8h h ASP 54 CO 0.09 0.82 -0.37 0.74 -2.88 0.00 0.00 179.24 177.64 2k8h h THR 55 N -0.40 1.28 0.25 2.25 2.02 -0.54 -0.91 112.91 116.86 2k8h h THR 55 Ca -0.01 -1.54 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 2k8h h THR 55 Cb 0.82 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2k8h h THR 55 CO 0.03 0.51 -0.12 0.22 0.37 0.00 0.00 175.52 176.53 2k8h h TYR 56 N 0.66 -0.31 -0.06 3.16 5.03 -1.16 -1.31 116.97 122.98 2k8h h TYR 56 Ca 0.06 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.38 2k8h h TYR 56 Cb 0.93 0.10 -0.02 0.00 1.55 0.00 0.00 36.73 39.29 2k8h h TYR 56 CO 0.05 0.07 -0.04 0.00 -1.32 0.00 0.00 178.16 176.92 2k8h h LYS 58 N -0.04 0.00 -0.11 0.00 3.64 -1.25 -2.51 116.57 116.30 2k8h h LYS 58 Ca 0.04 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2k8h h LYS 58 Cb 0.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2k8h h LYS 58 CO -0.08 0.06 -0.14 0.87 -2.27 0.00 0.00 179.45 177.88 2k8h h LYS 59 N 0.00 0.29 0.00 1.90 1.79 -0.37 -2.94 116.57 117.24 2k8h h LYS 59 Ca -0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2k8h h LYS 59 Cb 0.10 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2k8h h LYS 59 CO 0.01 0.73 0.00 0.37 -1.08 0.00 0.00 179.45 179.47 2k8h h GLN 60 N -0.13 0.00 -0.03 3.15 4.15 -0.77 -3.45 115.11 118.03 2k8h h GLN 60 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2k8h h GLN 60 Cb 0.69 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 2k8h h GLN 60 CO 0.03 0.00 -0.01 0.41 -1.93 0.00 0.00 178.83 177.34 2k8h n GLY 61 N -1.06 0.37 3.23 2.39 0.00 -1.07 -5.06 105.19 103.99 2k8h n GLY 61 Ca -0.03 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.01 1.51 1.20 -0.61 -1.09 -1.18 -5.07 121.20 113.94 2k8h s ILE 62 Ca 0.00 -1.25 -0.15 0.00 -2.23 0.00 0.00 60.65 57.03 2k8h s ILE 62 Cb 0.00 -1.35 0.27 0.00 -1.58 0.00 0.00 42.46 39.80 2k8h s ILE 62 CO 0.00 0.06 0.78 -1.20 -1.23 0.00 0.00 174.94 173.35 2k8h n SER 63 N 1.63 -2.10 -2.48 3.58 7.64 -1.26 -4.45 113.62 116.18 2k8h n SER 63 Ca -0.18 -0.22 -0.24 0.00 1.01 0.00 0.00 58.87 59.24 2k8h n SER 63 Cb 0.54 -1.17 -0.09 0.00 -1.01 0.00 0.00 64.21 62.48 2k8h n SER 63 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2k8h n ARG 64 N -4.42 2.57 -2.82 1.43 0.00 -1.26 -4.30 116.66 107.87 2k8h n ARG 64 Ca 0.02 -1.99 -0.11 0.00 -0.00 0.00 0.00 57.85 55.77 2k8h n ARG 64 Cb 0.56 -2.19 0.04 0.00 -0.00 0.00 0.00 32.46 30.88 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2k8h n ASN 65 N 1.70 -0.05 -0.92 2.89 3.02 -1.26 -4.89 115.26 115.75 2k8h n ASN 65 Ca 0.50 -2.90 -0.01 0.00 -0.03 0.00 0.00 54.58 52.15 2k8h n ASN 65 Cb 0.63 0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.97 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2k8h n SER 66 N -0.02 -0.18 -3.62 6.41 2.88 -1.26 -4.33 113.62 113.51 2k8h n SER 66 Ca 0.10 -0.59 -0.06 0.00 -1.33 0.00 0.00 58.87 56.99 2k8h n SER 66 Cb 0.76 0.07 -0.08 0.00 -0.75 0.00 0.00 64.21 64.21 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 0.01 -0.73 -0.34 2.46 -7.23 -1.26 -4.70 120.40 108.61 2k8h s VAL 67 Ca 0.00 0.11 -0.05 0.00 -1.81 0.00 0.00 61.98 60.24 2k8h s VAL 67 Cb 0.02 -0.76 0.05 0.00 0.56 0.00 0.00 36.38 36.25 2k8h s VAL 67 CO -0.01 0.04 0.08 -0.13 -0.31 0.00 0.00 175.10 174.78 2k8h s ARG 68 N 2.68 2.49 -0.33 4.82 0.52 -0.49 -4.91 118.95 123.72 2k8h s ARG 68 Ca -0.01 -1.29 -0.19 0.00 -0.52 0.00 0.00 55.73 53.72 2k8h s ARG 68 Cb -0.12 -3.39 -0.01 0.00 0.52 0.00 0.00 34.95 31.95 2k8h s ARG 68 CO -0.15 -0.70 0.57 -0.06 0.02 0.00 0.00 175.30 174.99 2k8h s PHE 69 N 1.32 3.19 0.13 -0.53 0.40 -1.25 -1.34 117.98 119.90 2k8h s PHE 69 Ca -0.02 0.37 0.10 0.00 -0.60 0.00 0.00 56.93 56.78 2k8h s PHE 69 Cb -0.20 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.31 2k8h s PHE 69 CO 0.01 -0.52 -0.23 -0.48 0.70 0.00 0.00 175.22 174.69 2k8h s LEU 70 N 2.53 2.34 -0.31 -0.37 0.05 -0.71 -0.94 118.68 121.27 2k8h s LEU 70 Ca 0.22 -0.75 0.03 0.00 0.05 0.00 0.00 54.13 53.68 2k8h s LEU 70 Cb -0.15 -1.04 0.09 0.00 -2.05 0.00 0.00 46.19 43.03 2k8h s LEU 70 CO 0.13 0.10 -0.00 0.12 -0.55 0.00 0.00 176.35 176.15 2k8h s PHE 71 N -1.27 3.48 -1.39 3.48 5.36 -0.22 -1.26 117.98 126.15 2k8h s PHE 71 Ca 0.12 -2.69 0.00 0.00 -0.96 0.00 0.00 56.93 53.40 2k8h s PHE 71 Cb -0.09 -2.51 0.00 0.00 -0.34 0.00 0.00 43.02 40.08 2k8h s PHE 71 CO 0.06 -0.92 0.00 -3.47 -1.46 0.00 0.00 175.22 169.43 2k8h n ASP 72 N 4.35 -4.69 0.00 6.13 -0.08 -1.26 -0.97 116.55 120.03 2k8h n ASP 72 Ca -0.03 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 2k8h n ASP 72 Cb 0.42 -3.97 0.00 0.00 2.34 0.00 0.00 41.12 39.91 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 -0.83 1.05 3.14 0.27 0.00 -1.26 -5.05 105.19 102.51 2k8h n GLY 73 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.66 2.61 2.01 -0.14 -5.03 115.64 116.85 2k8h s THR 74 Ca 0.00 -3.40 -0.26 0.00 0.31 0.00 0.00 61.69 58.33 2k8h s THR 74 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2k8h s THR 74 CO 0.00 -1.02 1.88 -2.16 -0.69 0.00 0.00 174.62 172.62 2k8h s PRO 75 N -0.78 2.61 -0.11 4.92 0.04 -1.26 -1.06 135.00 139.36 2k8h s PRO 75 Ca 0.23 0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.64 2k8h s PRO 75 Cb -0.12 -4.50 0.03 0.00 0.04 0.00 0.00 34.50 29.95 2k8h s PRO 75 CO -0.09 -2.84 0.29 0.42 0.04 0.00 0.00 177.00 174.82 2k8h s ILE 76 N 9.26 -0.00 -0.62 0.56 1.01 -0.11 -4.94 121.20 126.35 2k8h s ILE 76 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.33 2k8h s ILE 76 Cb -0.12 -0.41 0.16 0.00 0.01 0.00 0.00 42.46 42.10 2k8h s ILE 76 CO 0.17 0.00 0.41 1.51 0.00 0.00 0.00 174.94 177.03 2k8h s ASP 77 N 0.19 4.92 0.00 3.58 -4.77 -1.26 -4.62 116.67 114.70 2k8h s ASP 77 Ca -0.00 -3.08 0.00 0.00 -3.30 0.00 0.00 52.55 46.17 2k8h s ASP 77 Cb -0.02 -1.76 0.00 0.00 -1.09 0.00 0.00 42.92 40.04 2k8h s ASP 77 CO 0.00 -0.28 0.00 -1.84 0.70 0.00 0.00 175.17 173.75 2k8h n GLU 78 N 3.11 -0.18 -1.04 2.11 0.28 -1.26 -5.02 120.64 118.64 2k8h n GLU 78 Ca 0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 2k8h n GLU 78 Cb 0.35 0.00 0.17 0.00 1.43 0.00 0.00 31.44 33.39 2k8h n GLU 78 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2k8h n THR 79 N -0.03 2.73 0.04 3.84 5.66 -1.26 -4.51 114.28 120.74 2k8h n THR 79 Ca 0.00 -2.85 0.00 0.00 -3.05 0.00 0.00 64.05 58.15 2k8h n THR 79 Cb 0.00 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.28 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 -1.07 0.00 0.52 1.09 4.76 -1.26 -4.39 118.16 117.81 2k8h n LYS 80 Ca 0.40 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.64 2k8h n LYS 80 Cb 1.07 -0.49 -0.10 0.00 -1.84 0.00 0.00 35.03 33.67 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 0.02 0.00 -0.18 2.02 -1.99 -1.01 112.91 111.77 2k8h h THR 81 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2k8h h THR 81 Cb 0.28 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2k8h h THR 81 CO 0.00 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.44 2k8h h PRO 82 N -1.33 0.00 0.04 6.66 0.13 -1.89 -0.96 132.00 134.64 2k8h h PRO 82 Ca -0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2k8h h PRO 82 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2k8h h PRO 82 CO 0.21 0.00 -0.02 1.49 -0.23 0.00 0.00 178.00 179.46 2k8h h GLU 83 N 0.00 -0.05 0.00 0.86 4.81 -1.72 -0.20 114.58 118.29 2k8h h GLU 83 Ca 0.00 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2k8h h GLU 83 Cb 0.48 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2k8h h GLU 83 CO 0.00 0.59 -0.32 1.05 -0.73 0.00 0.00 179.01 179.60 2k8h h GLU 84 N -0.76 0.00 0.09 1.92 4.11 -1.16 -3.18 114.58 115.60 2k8h h GLU 84 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.15 2k8h h GLU 84 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k8h h GLU 84 CO 0.01 0.32 -1.32 1.25 0.07 0.00 0.00 179.01 179.34 2k8h h LEU 85 N 0.00 0.29 0.01 3.06 5.85 -1.24 -3.35 115.31 119.92 2k8h h LEU 85 Ca -0.00 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 2k8h h LEU 85 Cb 1.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.06 2k8h h LEU 85 CO 0.04 1.28 -0.00 1.23 -0.34 0.00 0.00 178.44 180.65 2k8h h GLY 86 N 2.08 -0.01 -1.76 3.75 0.00 -1.03 -3.46 103.07 102.63 2k8h h GLY 86 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.80 2k8h h GLY 86 CO 0.16 -0.00 -0.39 1.03 0.00 0.00 0.00 176.54 177.34 2k8h n MET 87 N -4.99 -1.54 -3.98 4.80 2.81 -1.20 -4.91 117.12 108.11 2k8h n MET 87 Ca -0.08 1.04 -0.12 0.00 -1.81 0.00 0.00 57.70 56.74 2k8h n MET 87 Cb 0.13 -5.49 -0.02 0.00 -0.71 0.00 0.00 33.22 27.13 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 -4.04 1.93 -0.23 0.03 2.12 -1.26 -5.04 118.70 112.21 2k8h s GLU 88 Ca 0.00 -1.54 0.15 0.00 0.36 0.00 0.00 54.97 53.94 2k8h s GLU 88 Cb 0.00 0.51 0.75 0.00 0.26 0.00 0.00 34.13 35.65 2k8h s GLU 88 CO 0.00 -0.84 1.67 -0.40 -0.54 0.00 0.00 175.26 175.16 2k8h n ASP 89 N -1.16 5.30 -2.19 -1.70 5.75 -1.26 -4.43 116.55 116.86 2k8h n ASP 89 Ca -0.02 -2.96 -0.24 0.00 -0.01 0.00 0.00 54.79 51.55 2k8h n ASP 89 Cb 0.61 -0.65 0.01 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.33 4.74 -4.65 -1.12 9.92 -1.22 -1.10 116.55 123.46 2k8h n ASP 90 Ca 0.26 -3.69 -0.43 0.00 -0.53 0.00 0.00 54.79 50.41 2k8h n ASP 90 Cb 1.13 -0.38 -0.02 0.00 -0.64 0.00 0.00 41.12 41.21 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2k8h s ASP 91 N -3.58 6.74 0.14 -2.24 2.15 -0.66 -4.91 116.67 114.31 2k8h s ASP 91 Ca 0.49 1.73 0.05 0.00 0.43 0.00 0.00 52.55 55.26 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 -0.93 0.05 0.68 -0.17 0.00 0.00 175.17 174.77 2k8h s VAL 92 N 4.05 4.14 -0.16 1.11 -7.23 -1.26 -1.12 120.40 119.93 2k8h s VAL 92 Ca 0.62 -1.12 -0.05 0.00 -1.81 0.00 0.00 61.98 59.62 2k8h s VAL 92 Cb -0.24 -3.05 0.08 0.00 0.56 0.00 0.00 36.38 33.72 2k8h s VAL 92 CO 0.22 -0.02 0.32 0.27 -0.31 0.00 0.00 175.10 175.58 2k8h s ILE 93 N -1.58 -0.51 -0.29 -0.62 -4.36 -0.53 -4.46 121.20 108.85 2k8h s ILE 93 Ca 0.28 0.21 -0.13 0.00 -0.26 0.00 0.00 60.65 60.76 2k8h s ILE 93 Cb -0.11 -0.55 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 2k8h s ILE 93 CO 0.20 0.08 0.27 -1.81 0.24 0.00 0.00 174.94 173.93 2k8h s ASP 94 N 2.49 6.11 -0.49 4.36 1.11 -0.39 -1.43 116.67 128.44 2k8h s ASP 94 Ca 0.01 -0.00 -0.20 0.00 0.18 0.00 0.00 52.55 52.54 2k8h s ASP 94 Cb -0.12 -2.16 0.04 0.00 1.07 0.00 0.00 42.92 41.75 2k8h s ASP 94 CO -0.10 -0.15 0.66 0.00 1.18 0.00 0.00 175.17 176.76 2k8h s ALA 95 N 1.88 3.34 0.16 5.23 0.00 -0.42 -1.73 121.76 130.22 2k8h s ALA 95 Ca 0.10 -1.50 0.06 0.00 0.00 0.00 0.00 51.96 50.62 2k8h s ALA 95 Cb -0.16 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 2k8h s ALA 95 CO 0.11 -1.97 0.07 -1.64 0.00 0.00 0.00 175.76 172.32 2k8h s MET 96 N 2.84 2.67 -0.25 0.00 -1.94 -0.45 -4.29 119.30 117.88 2k8h s MET 96 Ca 0.19 -0.96 -0.17 0.00 -1.71 0.00 0.00 55.69 53.05 2k8h s MET 96 Cb -0.17 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.12 2k8h s MET 96 CO 0.15 0.48 0.47 0.08 -0.01 0.00 0.00 175.02 176.19 2k8h s VAL 97 N -1.69 5.11 -0.17 -6.03 1.01 -1.26 -1.40 120.40 115.97 2k8h s VAL 97 Ca 0.29 0.80 -0.08 0.00 0.00 0.00 0.00 61.98 62.99 2k8h s VAL 97 Cb -0.10 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.56 2k8h s VAL 97 CO 0.21 0.13 0.39 -0.70 0.00 0.00 0.00 175.10 175.13 2k8h s GLU 98 N 2.05 0.34 -0.24 2.72 2.12 -1.26 -5.03 118.70 119.40 2k8h s GLU 98 Ca 0.20 0.83 -0.05 0.00 0.36 0.00 0.00 54.97 56.31 2k8h s GLU 98 Cb -0.16 0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.32 2k8h s GLU 98 CO 0.09 -0.19 0.10 1.04 -0.54 0.00 0.00 175.26 175.76 2k8h n GLN 99 N 4.64 -3.76 -4.18 4.30 1.13 -1.26 -4.86 117.38 113.38 2k8h n GLN 99 Ca -0.18 2.94 -0.35 0.00 -1.94 0.00 0.00 57.00 57.47 2k8h n GLN 99 Cb 0.53 -4.92 -0.09 0.00 0.11 0.00 0.00 30.24 25.87 2k8h n GLN 99 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k8h s THR 100 N -1.16 4.59 -0.30 5.09 2.01 -1.26 -4.80 115.64 119.82 2k8h s THR 100 Ca -0.12 -0.12 -0.32 0.00 0.31 0.00 0.00 61.69 61.44 2k8h s THR 100 Cb 0.01 -3.00 0.19 0.00 0.01 0.00 0.00 72.50 69.70 2k8h s THR 100 CO 0.73 0.54 1.40 -0.83 -0.69 0.00 0.00 174.62 175.77 2k8h s GLY 101 N -0.30 0.04 0.00 4.40 0.00 -1.26 -5.15 107.32 105.05 2k8h s GLY 101 Ca 0.08 2.65 0.00 0.00 0.00 0.00 0.00 44.72 47.45 2k8h s GLY 101 CO 0.02 0.99 0.00 0.61 0.00 0.00 0.00 173.10 174.72