#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 -0.37 0.50 3.17 0.15 -1.26 -5.19 113.70 110.71 2k8h s SER 2 Ca 0.00 0.36 0.05 0.00 0.70 0.00 0.00 55.95 57.05 2k8h s SER 2 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2k8h s SER 2 CO 0.00 -0.38 0.24 0.21 1.20 0.00 0.00 173.24 174.50 2k8h s ASN 3 N -1.30 4.44 -0.05 5.45 2.47 -1.26 -5.15 114.94 119.55 2k8h s ASN 3 Ca -0.01 -1.32 -0.30 0.00 0.42 0.00 0.00 52.86 51.64 2k8h s ASN 3 Cb -0.01 0.24 0.11 0.00 -1.45 0.00 0.00 41.25 40.15 2k8h s ASN 3 CO 0.01 -0.90 1.34 0.54 -3.72 0.00 0.00 177.10 174.36 2k8h s ASN 4 N -4.08 -0.01 0.26 -4.21 2.20 -1.26 -5.19 114.94 102.65 2k8h s ASN 4 Ca 0.27 -0.11 -0.15 0.00 -0.94 0.00 0.00 52.86 51.94 2k8h s ASN 4 Cb 0.00 0.09 0.00 0.00 -2.00 0.00 0.00 41.25 39.35 2k8h s ASN 4 CO 0.16 -0.18 0.54 -0.83 -2.94 0.00 0.00 177.10 173.86 2k8h s GLY 5 N -3.46 0.40 0.38 0.45 0.00 -1.26 -5.18 107.32 98.64 2k8h s GLY 5 Ca 0.23 -0.75 0.08 0.00 0.00 0.00 0.00 44.72 44.28 2k8h s GLY 5 CO -0.03 -0.50 0.17 -0.32 0.00 0.00 0.00 173.10 172.42 2k8h s GLY 6 N -3.00 2.13 0.27 0.20 0.00 -1.26 -5.15 107.32 100.52 2k8h s GLY 6 Ca 0.20 -1.96 0.08 0.00 0.00 0.00 0.00 44.72 43.04 2k8h s GLY 6 CO 0.09 -1.83 0.12 -0.54 0.00 0.00 0.00 173.10 170.94 2k8h s GLU 7 N -3.89 2.65 1.21 2.90 8.01 -1.26 -5.13 118.70 123.19 2k8h s GLU 7 Ca 0.40 -1.23 -0.19 0.00 0.01 0.00 0.00 54.97 53.96 2k8h s GLU 7 Cb 0.00 -2.39 0.29 0.00 -4.31 0.00 0.00 34.13 27.72 2k8h s GLU 7 CO 0.23 0.36 1.11 -1.25 0.01 0.00 0.00 175.26 175.71 2k8h s PRO 8 N -3.79 -1.25 0.06 0.39 0.04 -1.26 -5.04 135.00 124.15 2k8h s PRO 8 Ca 0.33 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2k8h s PRO 8 Cb -0.07 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.88 2k8h s PRO 8 CO 0.23 -3.73 0.00 -1.13 0.04 0.00 0.00 177.00 172.41 2k8h n SER 9 N -4.77 0.20 -1.39 6.66 3.41 -1.26 -5.07 113.62 111.40 2k8h n SER 9 Ca 0.13 0.10 0.18 0.00 -0.26 0.00 0.00 58.87 59.02 2k8h n SER 9 Cb 0.59 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.49 2k8h n SER 9 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2k8h n ASN 10 N -3.04 -8.26 -2.92 4.04 5.03 -1.26 -4.98 115.26 103.88 2k8h n ASN 10 Ca 0.00 1.41 -0.06 0.00 0.87 0.00 0.00 54.58 56.80 2k8h n ASN 10 Cb 0.19 -3.96 0.01 0.00 -1.02 0.00 0.00 39.78 34.99 2k8h n ASN 10 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2k8h n ASN 11 N -4.20 -7.51 -0.10 6.41 3.02 -1.26 -4.99 115.26 106.64 2k8h n ASN 11 Ca 0.01 0.87 -0.18 0.00 -0.03 0.00 0.00 54.58 55.25 2k8h n ASN 11 Cb 0.60 -4.32 -0.09 0.00 -0.61 0.00 0.00 39.78 35.35 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 2.79 0.00 0.00 7.41 0.00 -2.00 -3.49 103.07 107.79 2k8h h GLY 12 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2k8h h GLY 12 CO 0.12 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.27 2k8h n GLY 13 N 1.48 -1.50 3.89 4.60 0.00 -1.26 -5.17 105.19 107.23 2k8h n GLY 13 Ca -0.26 0.75 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 2k8h n GLY 13 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k8h s GLU 14 N 0.00 3.52 0.00 1.61 2.12 -1.26 -5.07 118.70 119.62 2k8h s GLU 14 Ca 0.00 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.16 2k8h s GLU 14 Cb 0.00 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.30 2k8h s GLU 14 CO 0.00 0.66 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 2k8h n GLY 15 N 1.07 3.33 2.81 -1.50 0.00 -1.26 -5.03 105.19 104.62 2k8h n GLY 15 Ca -0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.00 -3.22 -2.82 4.61 0.00 -1.26 -5.02 120.51 109.80 2k8h n ALA 16 Ca 0.00 0.57 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 2k8h n ALA 16 Cb 0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 19.45 17.83 2k8h n ALA 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k8h s GLU 17 N -1.77 2.97 0.40 0.00 2.12 -1.26 -4.84 118.70 116.34 2k8h s GLU 17 Ca 0.06 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 54.69 2k8h s GLU 17 Cb -0.01 -2.49 0.08 0.00 0.26 0.00 0.00 34.13 31.96 2k8h s GLU 17 CO 0.71 0.38 0.55 0.41 -0.54 0.00 0.00 175.26 176.77 2k8h n GLY 18 N 3.01 1.06 1.05 -1.50 0.00 -1.26 -5.06 105.19 102.50 2k8h n GLY 18 Ca -0.18 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.75 2k8h n GLY 18 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k8h n THR 19 N -2.10 0.00 -3.77 2.61 5.66 -1.26 -5.13 114.28 110.29 2k8h n THR 19 Ca 0.10 -0.11 -0.22 0.00 -3.05 0.00 0.00 64.05 60.77 2k8h n THR 19 Cb 0.35 0.40 -0.02 0.00 -1.55 0.00 0.00 70.33 69.51 2k8h n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k8h s LYS 21 N -4.04 0.26 -0.28 0.00 0.00 -1.26 -5.02 119.74 109.39 2k8h s LYS 21 Ca 0.36 -0.32 -0.23 0.00 0.00 0.00 0.00 55.97 55.77 2k8h s LYS 21 Cb -0.09 -0.11 0.12 0.00 0.00 0.00 0.00 37.83 37.74 2k8h s LYS 21 CO 0.31 0.02 0.96 -2.00 0.00 0.00 0.00 175.35 174.64 2k8h s GLU 22 N -0.67 0.55 0.51 1.78 2.12 -1.26 -5.15 118.70 116.58 2k8h s GLU 22 Ca -0.05 0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.97 2k8h s GLU 22 Cb -0.05 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.58 2k8h s GLU 22 CO -0.00 -0.07 0.00 0.39 -0.54 0.00 0.00 175.26 175.03 2k8h n GLU 23 N 2.59 -2.46 -4.50 4.30 1.02 -1.26 -4.87 120.64 115.46 2k8h n GLU 23 Ca -0.14 1.62 -0.23 0.00 -0.02 0.00 0.00 57.16 58.39 2k8h n GLU 23 Cb 0.56 -3.00 -0.16 0.00 -0.02 0.00 0.00 31.44 28.82 2k8h n GLU 23 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2k8h s THR 24 N -1.91 0.99 0.08 2.62 -1.32 -1.26 -5.13 115.64 109.70 2k8h s THR 24 Ca 0.00 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 59.80 2k8h s THR 24 Cb 0.00 -0.91 0.09 0.00 -1.51 0.00 0.00 72.50 70.17 2k8h s THR 24 CO 0.00 0.32 0.78 0.00 -2.21 0.00 0.00 174.62 173.51 2k8h s ALA 25 N 0.56 -1.71 0.00 11.08 0.00 -1.26 -5.17 121.76 125.26 2k8h s ALA 25 Ca -0.11 0.72 0.06 0.00 0.00 0.00 0.00 51.96 52.63 2k8h s ALA 25 Cb -0.14 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 2k8h s ALA 25 CO 0.02 -0.75 -0.19 -0.51 0.00 0.00 0.00 175.76 174.33 2k8h s LEU 26 N -2.62 2.07 -0.05 0.00 2.01 -1.26 -4.50 118.68 114.33 2k8h s LEU 26 Ca 0.04 -0.39 0.05 0.00 0.01 0.00 0.00 54.13 53.84 2k8h s LEU 26 Cb -0.01 -0.98 -0.00 0.00 0.01 0.00 0.00 46.19 45.21 2k8h s LEU 26 CO -0.09 0.21 -0.18 0.54 1.01 0.00 0.00 176.35 177.84 2k8h s VAL 27 N -0.54 1.52 -0.17 -1.59 0.11 -0.55 -4.69 120.40 114.48 2k8h s VAL 27 Ca 0.07 -0.76 -0.09 0.00 -2.93 0.00 0.00 61.98 58.27 2k8h s VAL 27 Cb -0.08 -1.30 -0.05 0.00 -1.53 0.00 0.00 36.38 33.43 2k8h s VAL 27 CO -0.00 0.43 0.15 0.00 -3.33 0.00 0.00 175.10 172.35 2k8h s ALA 28 N 0.02 3.75 0.10 1.54 0.00 -0.22 -1.38 121.76 125.57 2k8h s ALA 28 Ca -0.04 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.36 2k8h s ALA 28 Cb -0.12 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 2k8h s ALA 28 CO 0.02 0.33 -0.24 0.08 0.00 0.00 0.00 175.76 175.95 2k8h s VAL 29 N -0.15 1.97 -0.17 0.00 1.01 -0.51 -1.32 120.40 121.23 2k8h s VAL 29 Ca 0.11 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.46 2k8h s VAL 29 Cb -0.12 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.57 2k8h s VAL 29 CO 0.01 0.06 0.07 -1.59 0.00 0.00 0.00 175.10 173.65 2k8h s LYS 30 N -1.84 0.21 -0.24 2.72 -2.85 -0.09 -1.27 119.74 116.37 2k8h s LYS 30 Ca 0.10 -0.15 -0.15 0.00 -1.00 0.00 0.00 55.97 54.77 2k8h s LYS 30 Cb -0.10 -1.84 -0.04 0.00 -2.06 0.00 0.00 37.83 33.79 2k8h s LYS 30 CO 0.05 -0.65 0.38 0.54 0.10 0.00 0.00 175.35 175.77 2k8h s VAL 31 N 2.07 5.19 0.20 1.79 0.11 -0.40 -1.50 120.40 127.87 2k8h s VAL 31 Ca 0.01 0.63 0.11 0.00 -2.93 0.00 0.00 61.98 59.80 2k8h s VAL 31 Cb -0.16 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2k8h s VAL 31 CO -0.08 0.20 -0.18 0.68 -3.33 0.00 0.00 175.10 172.38 2k8h s VAL 32 N 1.72 2.67 0.11 2.04 -7.23 -0.29 -1.37 120.40 118.05 2k8h s VAL 32 Ca 0.17 -1.96 0.06 0.00 -1.81 0.00 0.00 61.98 58.43 2k8h s VAL 32 Cb -0.15 -2.31 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2k8h s VAL 32 CO 0.09 -0.16 -0.14 0.20 -0.31 0.00 0.00 175.10 174.77 2k8h s ASN 33 N -2.86 1.93 0.61 4.85 -0.87 -0.94 -1.47 114.94 116.19 2k8h s ASN 33 Ca 0.24 -0.75 0.36 0.00 -1.57 0.00 0.00 52.86 51.13 2k8h s ASN 33 Cb -0.08 -0.07 2.02 0.00 -0.02 0.00 0.00 41.25 43.10 2k8h s ASN 33 CO 0.12 -0.12 2.28 0.00 -2.57 0.00 0.00 177.10 176.82 2k8h h ALA 34 N 3.76 1.28 0.00 0.60 0.00 -1.89 -0.36 119.26 122.65 2k8h h ALA 34 Ca -0.40 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 2k8h h ALA 34 Cb 1.19 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2k8h h ALA 34 CO 0.47 0.02 -0.52 0.22 0.00 0.00 0.00 179.25 179.44 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 3.58 -1.95 -3.48 116.42 114.57 2k8h h ASP 35 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k8h h ASP 35 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2k8h h ASP 35 CO 0.00 0.51 0.00 0.61 -2.88 0.00 0.00 179.24 177.48 2k8h n GLY 36 N 1.23 2.98 3.69 -0.78 0.00 -0.15 -5.08 105.19 107.08 2k8h n GLY 36 Ca 0.02 -0.88 -0.53 0.00 0.00 0.00 0.00 46.02 44.63 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 0.30 -2.79 4.61 0.00 -1.26 -4.53 120.51 116.84 2k8h n ALA 37 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 2k8h n ALA 37 Cb 0.00 -2.34 -0.06 0.00 0.00 0.00 0.00 19.45 17.05 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 3.42 1.05 -0.27 0.00 -1.05 -1.26 -2.21 118.70 118.39 2k8h s GLU 38 Ca 0.94 -0.95 -0.24 0.00 -0.15 0.00 0.00 54.97 54.57 2k8h s GLU 38 Cb -0.88 0.40 0.07 0.00 -0.44 0.00 0.00 34.13 33.28 2k8h s GLU 38 CO 0.57 -0.38 0.70 0.00 0.95 0.00 0.00 175.26 177.10 2k8h s MET 39 N -3.88 0.82 0.06 -4.83 0.23 -0.47 -5.00 119.30 106.23 2k8h s MET 39 Ca 0.08 0.99 0.08 0.00 -1.03 0.00 0.00 55.69 55.82 2k8h s MET 39 Cb 0.03 0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 2k8h s MET 39 CO -0.07 -0.10 -0.22 -0.59 -2.03 0.00 0.00 175.02 172.01 2k8h s PHE 40 N 0.42 1.93 -0.03 3.16 -0.71 -1.26 -1.27 117.98 120.23 2k8h s PHE 40 Ca -0.00 -0.39 -0.29 0.00 -1.04 0.00 0.00 56.93 55.20 2k8h s PHE 40 Cb -0.05 -1.13 0.07 0.00 -1.21 0.00 0.00 43.02 40.70 2k8h s PHE 40 CO 0.00 0.14 0.65 -0.06 -1.34 0.00 0.00 175.22 174.61 2k8h s PHE 41 N -0.89 -0.62 -0.14 3.49 0.08 -0.40 -5.00 117.98 114.50 2k8h s PHE 41 Ca 0.08 1.00 -0.06 0.00 0.12 0.00 0.00 56.93 58.07 2k8h s PHE 41 Cb -0.09 0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 42.72 2k8h s PHE 41 CO 0.03 -0.62 0.07 1.03 -0.10 0.00 0.00 175.22 175.62 2k8h s ARG 42 N -1.45 3.60 0.32 0.44 3.00 -1.26 -1.42 118.95 122.19 2k8h s ARG 42 Ca -0.10 -0.31 -0.19 0.00 0.00 0.00 0.00 55.73 55.13 2k8h s ARG 42 Cb -0.00 -3.10 0.04 0.00 0.00 0.00 0.00 34.95 31.88 2k8h s ARG 42 CO 0.07 0.50 0.78 -1.50 0.00 0.00 0.00 175.30 175.15 2k8h s ILE 43 N -0.28 0.00 0.34 1.52 1.10 -0.48 -4.97 121.20 118.43 2k8h s ILE 43 Ca 0.08 -0.97 -0.29 0.00 -0.51 0.00 0.00 60.65 58.97 2k8h s ILE 43 Cb -0.12 -2.45 -0.11 0.00 0.15 0.00 0.00 42.46 39.93 2k8h s ILE 43 CO 0.02 0.00 1.51 -0.54 -2.11 0.00 0.00 174.94 173.82 2k8h s LYS 44 N -3.07 4.13 0.15 3.50 -0.14 -1.26 -1.49 119.74 121.56 2k8h s LYS 44 Ca 0.14 2.55 0.17 0.00 -1.36 0.00 0.00 55.97 57.47 2k8h s LYS 44 Cb -0.05 -3.00 0.76 0.00 -1.68 0.00 0.00 37.83 33.86 2k8h s LYS 44 CO 0.09 -0.55 1.53 -1.13 -0.76 0.00 0.00 175.35 174.53 2k8h n SER 45 N 1.14 0.34 -0.14 2.83 3.41 -1.26 -1.63 113.62 118.31 2k8h n SER 45 Ca 0.04 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 2k8h n SER 45 Cb 0.39 -0.67 0.60 0.00 -0.26 0.00 0.00 64.21 64.27 2k8h n SER 45 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k8h n ARG 46 N -1.90 1.19 -3.15 4.33 3.00 -1.26 -4.60 116.66 114.26 2k8h n ARG 46 Ca 0.02 -0.28 0.06 0.00 -0.01 0.00 0.00 57.85 57.64 2k8h n ARG 46 Cb 0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 32.46 31.23 2k8h n ARG 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k8h s THR 47 N -1.96 -0.09 0.00 0.55 -4.23 -0.64 -4.96 115.64 104.31 2k8h s THR 47 Ca 0.34 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 2k8h s THR 47 Cb 0.16 -0.52 0.00 0.00 1.34 0.00 0.00 72.50 73.49 2k8h s THR 47 CO 0.27 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.35 2k8h n ALA 48 N 5.25 1.30 -0.11 3.99 0.00 -1.25 -4.28 120.51 125.41 2k8h n ALA 48 Ca 0.01 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.68 2k8h n ALA 48 Cb 0.57 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.69 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 0.07 -0.00 0.00 -0.00 -1.87 0.14 115.31 113.65 2k8h h LEU 49 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2k8h h LEU 49 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2k8h h LEU 49 CO 0.00 0.03 0.00 0.11 -0.00 0.00 0.00 178.44 178.58 2k8h h LYS 50 N 0.08 0.00 0.00 1.13 1.79 -1.91 -0.75 116.57 116.91 2k8h h LYS 50 Ca 0.35 -0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.71 2k8h h LYS 50 Cb 1.28 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 2k8h h LYS 50 CO -0.03 0.14 -0.51 0.87 -1.08 0.00 0.00 179.45 178.83 2k8h h LYS 51 N -0.13 0.00 0.30 3.15 1.57 -1.53 -0.93 116.57 118.99 2k8h h LYS 51 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k8h h LYS 51 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2k8h h LYS 51 CO -0.00 0.51 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.18 2k8h h LEU 52 N 0.00 -0.34 -0.87 2.94 4.07 -0.80 -0.10 115.31 120.22 2k8h h LEU 52 Ca -0.01 -0.18 -0.12 0.00 0.08 0.00 0.00 57.88 57.66 2k8h h LEU 52 Cb 0.98 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.80 2k8h h LEU 52 CO 0.07 0.02 -0.51 -0.29 -1.08 0.00 0.00 178.44 176.65 2k8h h ILE 53 N -0.74 1.36 -0.36 1.22 2.10 -1.18 -1.23 117.51 118.68 2k8h h ILE 53 Ca -0.04 -1.75 -0.11 0.00 1.08 0.00 0.00 64.86 64.04 2k8h h ILE 53 Cb 0.50 1.88 -0.01 0.00 -1.09 0.00 0.00 36.82 38.10 2k8h h ILE 53 CO 0.07 0.51 -0.20 -0.78 -1.08 0.00 0.00 178.15 176.67 2k8h h ASP 54 N 0.11 0.80 -0.08 2.19 3.58 -1.16 -0.99 116.42 120.87 2k8h h ASP 54 Ca 0.00 -0.41 -0.22 0.00 0.42 0.00 0.00 57.03 56.82 2k8h h ASP 54 Cb 0.94 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.77 2k8h h ASP 54 CO 0.07 1.04 -0.78 0.71 -2.88 0.00 0.00 179.24 177.40 2k8h h THR 55 N 0.56 1.29 -0.36 2.25 1.35 -0.93 -1.09 112.91 115.97 2k8h h THR 55 Ca 0.08 -2.00 -0.05 0.00 -0.55 0.00 0.00 66.41 63.89 2k8h h THR 55 Cb 0.75 2.01 -0.01 0.00 -1.73 0.00 0.00 68.15 69.16 2k8h h THR 55 CO 0.06 0.63 0.04 0.22 -0.25 0.00 0.00 175.52 176.22 2k8h h TYR 56 N 0.50 0.66 -0.23 4.73 5.03 -1.21 0.26 116.97 126.70 2k8h h TYR 56 Ca -0.05 -0.10 -0.11 0.00 2.58 0.00 0.00 58.73 61.05 2k8h h TYR 56 Cb 1.40 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 39.50 2k8h h TYR 56 CO 0.08 0.69 -0.27 0.00 -1.32 0.00 0.00 178.16 177.34 2k8h h LYS 58 N 0.29 0.89 -0.19 0.00 3.64 -1.16 -0.76 116.57 119.28 2k8h h LYS 58 Ca 0.03 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2k8h h LYS 58 Cb 0.84 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2k8h h LYS 58 CO 0.07 0.93 0.01 0.87 -2.27 0.00 0.00 179.45 179.05 2k8h h LYS 59 N 0.75 0.33 0.00 1.90 1.79 -0.49 -2.56 116.57 118.29 2k8h h LYS 59 Ca 0.14 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2k8h h LYS 59 Cb 0.53 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2k8h h LYS 59 CO 0.03 0.53 0.00 0.37 -1.08 0.00 0.00 179.45 179.29 2k8h h GLN 60 N 0.09 0.00 -0.02 3.15 4.15 -1.15 -3.46 115.11 117.88 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 0.37 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.06 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 -0.84 0.62 3.01 2.39 0.00 -0.88 -5.07 105.19 104.43 2k8h n GLY 61 Ca -0.02 -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 -2.02 -0.01 1.25 -0.61 -5.25 -0.34 -5.04 121.20 109.18 2k8h s ILE 62 Ca 0.00 0.04 -0.17 0.00 -0.99 0.00 0.00 60.65 59.53 2k8h s ILE 62 Cb 0.00 -0.23 0.29 0.00 2.95 0.00 0.00 42.46 45.46 2k8h s ILE 62 CO 0.00 0.02 0.77 -1.20 -1.79 0.00 0.00 174.94 172.73 2k8h n SER 63 N 3.27 -2.63 -2.42 4.36 7.64 -1.26 -4.15 113.62 118.44 2k8h n SER 63 Ca -0.16 -0.38 -0.22 0.00 1.01 0.00 0.00 58.87 59.13 2k8h n SER 63 Cb 0.57 -1.11 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 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 -4.56 2.53 -0.84 1.43 0.63 -1.26 -4.01 116.66 110.58 2k8h n ARG 64 Ca 0.05 -1.70 0.04 0.00 -0.92 0.00 0.00 57.85 55.32 2k8h n ARG 64 Cb 0.56 -2.19 0.07 0.00 0.45 0.00 0.00 32.46 31.35 2k8h n ARG 64 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 2k8h n ASN 65 N 2.17 1.07 -1.05 6.15 5.15 -1.26 -4.77 115.26 122.72 2k8h n ASN 65 Ca 0.51 -2.55 -0.04 0.00 -0.60 0.00 0.00 54.58 51.91 2k8h n ASN 65 Cb 0.68 -0.34 -0.04 0.00 -0.53 0.00 0.00 39.78 39.55 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 -0.25 -0.40 -3.61 1.20 2.88 -1.26 -4.69 113.62 107.49 2k8h n SER 66 Ca 0.08 -1.90 -0.09 0.00 -1.33 0.00 0.00 58.87 55.63 2k8h n SER 66 Cb 0.86 0.11 -0.10 0.00 -0.75 0.00 0.00 64.21 64.34 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 -0.60 -0.28 2.46 -7.23 -1.26 -4.73 120.40 108.75 2k8h s VAL 67 Ca 0.08 0.15 -0.15 0.00 -1.81 0.00 0.00 61.98 60.25 2k8h s VAL 67 Cb 0.09 -0.65 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 2k8h s VAL 67 CO -0.04 0.05 0.37 -0.13 -0.31 0.00 0.00 175.10 175.04 2k8h s ARG 68 N 2.57 3.93 -0.46 4.82 3.00 -0.49 -4.95 118.95 127.37 2k8h s ARG 68 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 55.73 55.56 2k8h s ARG 68 Cb -0.13 -3.68 0.08 0.00 0.00 0.00 0.00 34.95 31.22 2k8h s ARG 68 CO -0.12 -0.33 0.36 -0.06 0.00 0.00 0.00 175.30 175.15 2k8h s PHE 69 N 2.07 3.28 0.04 -0.53 0.40 -1.26 -1.29 117.98 120.70 2k8h s PHE 69 Ca 0.14 -1.18 0.08 0.00 -0.60 0.00 0.00 56.93 55.38 2k8h s PHE 69 Cb -0.16 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.16 2k8h s PHE 69 CO 0.10 -0.84 -0.24 -0.48 0.70 0.00 0.00 175.22 174.46 2k8h s LEU 70 N 1.56 2.16 -0.08 -0.37 0.05 -1.08 -1.00 118.68 119.92 2k8h s LEU 70 Ca 0.04 -0.56 0.01 0.00 0.05 0.00 0.00 54.13 53.67 2k8h s LEU 70 Cb -0.25 -1.15 0.02 0.00 -2.05 0.00 0.00 46.19 42.76 2k8h s LEU 70 CO 0.05 0.22 -0.12 0.72 -0.55 0.00 0.00 176.35 176.67 2k8h s PHE 71 N -0.80 1.55 -1.18 3.48 -0.71 -0.61 -1.06 117.98 118.66 2k8h s PHE 71 Ca 0.10 -0.65 0.00 0.00 -1.04 0.00 0.00 56.93 55.34 2k8h s PHE 71 Cb -0.09 -1.17 0.00 0.00 -1.21 0.00 0.00 43.02 40.55 2k8h s PHE 71 CO 0.02 -0.37 0.00 -3.47 -1.34 0.00 0.00 175.22 170.06 2k8h n ASP 72 N 4.16 -4.25 0.00 1.98 2.03 -1.26 -0.31 116.55 118.90 2k8h n ASP 72 Ca -0.20 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.27 2k8h n ASP 72 Cb 0.51 -3.59 0.00 0.00 -0.72 0.00 0.00 41.12 37.32 2k8h n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k8h n GLY 73 N -0.84 0.69 2.80 0.27 0.00 -1.26 -5.04 105.19 101.81 2k8h n GLY 73 Ca -0.16 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 1.62 -0.47 2.61 2.01 0.57 -5.08 115.64 114.90 2k8h s THR 74 Ca 0.00 -2.42 -0.28 0.00 0.31 0.00 0.00 61.69 59.30 2k8h s THR 74 Cb 0.00 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2k8h s THR 74 CO 0.00 -0.79 1.77 -2.16 -0.69 0.00 0.00 174.62 172.75 2k8h s PRO 75 N 0.57 3.04 -0.07 4.92 0.04 -1.26 -1.57 135.00 140.68 2k8h s PRO 75 Ca 0.15 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 62.03 2k8h s PRO 75 Cb -0.23 -4.26 0.03 0.00 0.04 0.00 0.00 34.50 30.08 2k8h s PRO 75 CO -0.06 -2.22 0.34 0.42 0.04 0.00 0.00 177.00 175.53 2k8h s ILE 76 N 7.68 0.03 -0.61 0.56 1.01 -0.17 -4.95 121.20 124.75 2k8h s ILE 76 Ca 0.71 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 61.10 2k8h s ILE 76 Cb -0.17 -0.58 0.15 0.00 0.01 0.00 0.00 42.46 41.88 2k8h s ILE 76 CO 0.28 -0.14 0.40 -1.81 0.00 0.00 0.00 174.94 173.66 2k8h s ASP 77 N -0.68 4.92 -0.09 3.58 1.01 -1.26 -4.58 116.67 119.57 2k8h s ASP 77 Ca -0.08 -3.02 -0.32 0.00 0.71 0.00 0.00 52.55 49.84 2k8h s ASP 77 Cb -0.04 -1.77 0.14 0.00 1.01 0.00 0.00 42.92 42.26 2k8h s ASP 77 CO 0.03 -0.29 1.42 -1.61 0.21 0.00 0.00 175.17 174.93 2k8h s GLU 78 N -0.30 0.05 -0.01 8.23 2.02 -1.26 -5.03 118.70 122.40 2k8h s GLU 78 Ca 0.18 -0.03 0.01 0.00 0.02 0.00 0.00 54.97 55.15 2k8h s GLU 78 Cb -0.21 0.02 0.02 0.00 0.10 0.00 0.00 34.13 34.06 2k8h s GLU 78 CO -0.03 -0.02 0.88 -2.37 0.02 0.00 0.00 175.26 173.74 2k8h n THR 79 N -0.54 0.78 0.00 3.63 5.66 -1.26 -4.59 114.28 117.96 2k8h n THR 79 Ca -0.09 -0.80 0.00 0.00 -3.05 0.00 0.00 64.05 60.12 2k8h n THR 79 Cb 0.63 0.58 0.00 0.00 -1.55 0.00 0.00 70.33 70.00 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 -0.42 0.00 0.26 1.09 4.76 -1.26 -4.48 118.16 118.11 2k8h n LYS 80 Ca 0.01 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.34 2k8h n LYS 80 Cb 0.35 -0.39 -0.05 0.00 -1.84 0.00 0.00 35.03 33.09 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 -1.88 -1.24 112.91 110.96 2k8h h THR 81 Ca 0.00 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 2k8h h THR 81 Cb 0.74 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2k8h h THR 81 CO 0.00 0.00 -0.06 1.55 -0.25 0.00 0.00 175.52 176.76 2k8h h PRO 82 N -1.01 0.00 0.02 4.72 0.13 -1.90 -0.06 132.00 133.89 2k8h h PRO 82 Ca -0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2k8h h PRO 82 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 2k8h h PRO 82 CO 0.12 0.06 -0.01 1.49 -0.23 0.00 0.00 178.00 179.43 2k8h h GLU 83 N 0.00 -0.02 -0.08 0.86 4.22 -1.78 0.91 114.58 118.69 2k8h h GLU 83 Ca -0.00 0.00 -0.19 0.00 0.08 0.00 0.00 59.36 59.25 2k8h h GLU 83 Cb 0.54 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2k8h h GLU 83 CO 0.01 0.74 -0.75 1.49 -2.18 0.00 0.00 179.01 178.31 2k8h h GLU 84 N -0.89 0.47 0.06 1.92 4.22 -1.21 -1.47 114.58 117.68 2k8h h GLU 84 Ca -0.00 -0.39 -0.24 0.00 0.08 0.00 0.00 59.36 58.81 2k8h h GLU 84 Cb 0.77 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2k8h h GLU 84 CO 0.00 1.02 -1.08 1.25 -2.18 0.00 0.00 179.01 178.02 2k8h h LEU 85 N 0.31 0.33 0.00 1.64 5.85 -1.13 -3.41 115.31 118.90 2k8h h LEU 85 Ca -0.04 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2k8h h LEU 85 Cb 1.34 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.26 2k8h h LEU 85 CO 0.13 1.20 0.00 0.61 -0.34 0.00 0.00 178.44 180.05 2k8h n GLY 86 N 1.28 1.01 1.61 3.75 0.00 0.32 -5.04 105.19 108.12 2k8h n GLY 86 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.98 2k8h n GLY 86 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2k8h n MET 87 N -0.95 0.05 -1.29 1.61 0.00 -0.56 -5.03 117.12 110.94 2k8h n MET 87 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 57.70 57.43 2k8h n MET 87 Cb 0.00 0.48 0.00 0.00 0.00 0.00 0.00 33.22 33.70 2k8h n MET 87 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 2k8h n GLU 88 N -0.38 0.00 0.00 3.17 0.28 -1.26 -4.52 120.64 117.93 2k8h n GLU 88 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2k8h n GLU 88 Cb 0.23 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.10 2k8h n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2k8h n ASP 89 N -1.80 0.00 -2.26 -1.84 2.03 -1.26 -3.75 116.55 107.67 2k8h n ASP 89 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 2k8h n ASP 89 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 2k8h n ASP 89 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2k8h n ASP 90 N 2.46 5.38 -4.68 1.67 8.00 -1.23 -1.06 116.55 127.09 2k8h n ASP 90 Ca 0.00 -3.75 -0.44 0.00 0.71 0.00 0.00 54.79 51.31 2k8h n ASP 90 Cb 0.00 -0.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2k8h n ASP 91 N -0.65 3.88 -4.74 -2.24 2.03 -0.43 -4.83 116.55 109.56 2k8h n ASP 91 Ca 0.45 0.97 -0.28 0.00 0.52 0.00 0.00 54.79 56.46 2k8h n ASP 91 Cb 0.79 -1.50 -0.07 0.00 -0.72 0.00 0.00 41.12 39.63 2k8h n ASP 91 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2k8h s VAL 92 N 3.28 4.20 -0.22 5.18 -7.23 -1.26 -0.91 120.40 123.43 2k8h s VAL 92 Ca 0.86 -1.11 -0.04 0.00 -1.81 0.00 0.00 61.98 59.88 2k8h s VAL 92 Cb -0.53 -3.09 0.09 0.00 0.56 0.00 0.00 36.38 33.41 2k8h s VAL 92 CO 0.41 -0.03 0.17 -0.63 -0.31 0.00 0.00 175.10 174.72 2k8h s ILE 93 N -1.60 -0.21 -0.35 -0.62 -1.09 -0.56 -4.52 121.20 112.25 2k8h s ILE 93 Ca 0.29 -0.31 -0.18 0.00 -2.23 0.00 0.00 60.65 58.22 2k8h s ILE 93 Cb -0.10 -0.75 -0.00 0.00 -1.58 0.00 0.00 42.46 40.03 2k8h s ILE 93 CO 0.21 -0.37 0.49 -0.62 -1.23 0.00 0.00 174.94 173.42 2k8h s ASP 94 N 2.23 6.29 0.06 3.58 -1.08 -0.22 -1.13 116.67 126.39 2k8h s ASP 94 Ca 0.06 -0.09 -0.26 0.00 -0.52 0.00 0.00 52.55 51.75 2k8h s ASP 94 Cb -0.16 -2.26 -0.06 0.00 -1.46 0.00 0.00 42.92 38.99 2k8h s ASP 94 CO -0.19 -0.47 0.80 0.00 0.52 0.00 0.00 175.17 175.83 2k8h s ALA 95 N 2.33 3.35 0.10 3.66 0.00 -0.54 -2.62 121.76 128.04 2k8h s ALA 95 Ca 0.17 0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.51 2k8h s ALA 95 Cb -0.16 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2k8h s ALA 95 CO 0.13 0.05 -0.13 -1.64 0.00 0.00 0.00 175.76 174.17 2k8h s MET 96 N -0.05 0.90 0.14 0.00 -1.94 -0.41 -4.17 119.30 113.78 2k8h s MET 96 Ca 0.40 -1.11 0.08 0.00 -1.71 0.00 0.00 55.69 53.34 2k8h s MET 96 Cb -0.21 -0.78 -0.04 0.00 2.01 0.00 0.00 34.83 35.81 2k8h s MET 96 CO 0.24 0.15 -0.09 0.14 -0.01 0.00 0.00 175.02 175.45 2k8h s VAL 97 N -1.90 3.32 -0.29 -6.03 -7.23 -1.26 -1.40 120.40 105.60 2k8h s VAL 97 Ca 0.04 -1.45 0.05 0.00 -1.81 0.00 0.00 61.98 58.81 2k8h s VAL 97 Cb -0.06 -2.60 0.20 0.00 0.56 0.00 0.00 36.38 34.48 2k8h s VAL 97 CO 0.02 -0.00 0.62 -0.70 -0.31 0.00 0.00 175.10 174.73 2k8h s GLU 98 N -2.53 0.54 0.49 4.82 2.12 -1.26 -5.02 118.70 117.85 2k8h s GLU 98 Ca 0.23 0.55 0.00 0.00 0.36 0.00 0.00 54.97 56.11 2k8h s GLU 98 Cb -0.10 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.54 2k8h s GLU 98 CO 0.15 -0.98 0.00 0.94 -0.54 0.00 0.00 175.26 174.83 2k8h n GLN 99 N 5.40 -2.90 -4.31 4.30 7.27 -1.26 -4.95 117.38 120.94 2k8h n GLN 99 Ca 0.05 2.25 -0.29 0.00 0.07 0.00 0.00 57.00 59.07 2k8h n GLN 99 Cb 0.54 -3.43 -0.11 0.00 2.41 0.00 0.00 30.24 29.65 2k8h n GLN 99 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k8h s THR 100 N -3.52 2.80 0.00 1.69 2.01 -1.26 -4.98 115.64 112.38 2k8h s THR 100 Ca 0.00 -1.53 0.00 0.00 0.31 0.00 0.00 61.69 60.47 2k8h s THR 100 Cb 0.00 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.23 2k8h s THR 100 CO 0.00 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 2k8h n GLY 101 N 0.78 0.92 0.00 4.40 0.00 -1.26 -5.16 105.19 104.88 2k8h n GLY 101 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93