#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 4.22 -0.54 3.17 1.04 -1.26 -5.04 113.70 115.29 2k8h s SER 2 Ca 0.00 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.14 2k8h s SER 2 Cb 0.00 -1.69 0.23 0.00 0.10 0.00 0.00 66.02 64.66 2k8h s SER 2 CO 0.00 0.06 0.60 0.59 0.98 0.00 0.00 173.24 175.47 2k8h n ASN 3 N 4.24 2.04 -3.69 7.02 3.02 -1.26 -4.98 115.26 121.65 2k8h n ASN 3 Ca -0.18 -3.06 -0.34 0.00 -0.03 0.00 0.00 54.58 50.97 2k8h n ASN 3 Cb 0.52 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.98 2k8h n ASN 3 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2k8h n ASN 4 N 1.38 4.93 -3.59 6.41 4.13 -1.26 -5.01 115.26 122.25 2k8h n ASN 4 Ca 0.26 -3.43 0.02 0.00 1.68 0.00 0.00 54.58 53.11 2k8h n ASN 4 Cb 0.45 -0.94 -0.01 0.00 -1.54 0.00 0.00 39.78 37.75 2k8h n ASN 4 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2k8h s GLY 5 N -2.13 -0.42 -0.30 7.41 0.00 -1.26 -4.66 107.32 105.96 2k8h s GLY 5 Ca 0.36 0.99 0.01 0.00 0.00 0.00 0.00 44.72 46.07 2k8h s GLY 5 CO 0.04 0.22 1.01 0.61 0.00 0.00 0.00 173.10 174.98 2k8h n GLY 6 N -0.42 -0.96 3.37 0.20 0.00 -1.26 -5.10 105.19 101.02 2k8h n GLY 6 Ca -0.07 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 2k8h n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8h s GLU 7 N 0.01 1.39 0.80 1.61 8.01 -1.26 -5.15 118.70 124.12 2k8h s GLU 7 Ca 0.01 -1.63 -0.11 0.00 0.01 0.00 0.00 54.97 53.25 2k8h s GLU 7 Cb 0.02 -1.20 0.07 0.00 -4.31 0.00 0.00 34.13 28.72 2k8h s GLU 7 CO -0.01 0.19 1.09 -1.25 0.01 0.00 0.00 175.26 175.29 2k8h s PRO 8 N -3.64 2.03 -0.06 0.39 0.04 -1.26 -5.00 135.00 127.51 2k8h s PRO 8 Ca 0.24 1.10 0.04 0.00 0.04 0.00 0.00 61.00 62.41 2k8h s PRO 8 Cb -0.01 -1.88 0.10 0.00 0.04 0.00 0.00 34.50 32.75 2k8h s PRO 8 CO 0.08 -1.78 1.10 0.43 0.04 0.00 0.00 177.00 176.87 2k8h n SER 9 N -3.61 -0.93 -4.83 6.66 7.64 -1.26 -5.14 113.62 112.15 2k8h n SER 9 Ca 0.09 -2.04 -0.22 0.00 1.01 0.00 0.00 58.87 57.71 2k8h n SER 9 Cb 0.53 0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 64.01 2k8h n SER 9 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2k8h s ASN 10 N -1.11 5.47 0.46 6.43 2.47 -1.26 -5.02 114.94 122.37 2k8h s ASN 10 Ca 0.04 -0.31 0.00 0.00 0.42 0.00 0.00 52.86 53.01 2k8h s ASN 10 Cb 0.10 -1.30 0.00 0.00 -1.45 0.00 0.00 41.25 38.60 2k8h s ASN 10 CO -0.03 -0.11 0.00 -3.20 -3.72 0.00 0.00 177.10 170.04 2k8h n ASN 11 N -1.22 -8.00 0.00 -4.21 2.85 -1.26 -4.95 115.26 98.47 2k8h n ASN 11 Ca -0.06 1.25 0.00 0.00 -0.11 0.00 0.00 54.58 55.65 2k8h n ASN 11 Cb 0.58 -3.50 0.00 0.00 1.24 0.00 0.00 39.78 38.10 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k8h n GLY 12 N -3.41 3.11 0.00 8.20 0.00 -1.26 -4.94 105.19 106.88 2k8h n GLY 12 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 1.12 1.34 -0.02 0.00 -1.26 -4.13 105.19 102.23 2k8h n GLY 13 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2k8h n GLY 13 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k8h n GLU 14 N -0.47 -2.85 -3.25 1.61 -0.58 -1.26 -4.68 120.64 109.16 2k8h n GLU 14 Ca 0.00 2.06 -0.05 0.00 -0.42 0.00 0.00 57.16 58.75 2k8h n GLU 14 Cb 0.00 -3.42 -0.04 0.00 -0.57 0.00 0.00 31.44 27.42 2k8h n GLU 14 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k8h s GLY 15 N -6.99 -0.82 0.34 0.62 0.00 -1.26 -5.05 107.32 94.16 2k8h s GLY 15 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 44.72 45.08 2k8h s GLY 15 CO 0.00 3.29 -0.01 0.00 0.00 0.00 0.00 173.10 176.38 2k8h s ALA 16 N 2.36 2.69 0.43 3.20 0.00 -1.26 -5.08 121.76 124.09 2k8h s ALA 16 Ca 0.12 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.98 2k8h s ALA 16 Cb -0.11 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2k8h s ALA 16 CO -0.22 -0.12 0.00 0.39 0.00 0.00 0.00 175.76 175.81 2k8h n GLU 17 N -0.76 -2.90 0.00 0.00 1.02 -1.26 -5.06 120.64 111.68 2k8h n GLU 17 Ca -0.04 2.12 0.00 0.00 -0.02 0.00 0.00 57.16 59.22 2k8h n GLU 17 Cb 0.65 -3.48 0.00 0.00 -0.02 0.00 0.00 31.44 28.60 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 -4.17 4.66 3.58 0.62 0.00 -1.26 -5.10 105.19 103.51 2k8h n GLY 18 Ca -0.03 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.67 4.23 -0.27 2.61 2.01 -1.26 -4.96 115.64 117.32 2k8h s THR 19 Ca 0.00 0.92 -0.00 0.00 0.31 0.00 0.00 61.69 62.92 2k8h s THR 19 Cb 0.00 -4.60 0.14 0.00 0.01 0.00 0.00 72.50 68.06 2k8h s THR 19 CO 0.00 -1.08 0.36 0.00 -0.69 0.00 0.00 174.62 173.21 2k8h s LYS 21 N 2.49 2.27 -0.29 0.00 -2.85 -1.26 -5.11 119.74 114.99 2k8h s LYS 21 Ca 0.10 -0.84 -0.15 0.00 -1.00 0.00 0.00 55.97 54.08 2k8h s LYS 21 Cb -0.14 -2.24 0.11 0.00 -2.06 0.00 0.00 37.83 33.50 2k8h s LYS 21 CO -0.26 0.58 0.77 -2.00 0.10 0.00 0.00 175.35 174.54 2k8h s GLU 22 N -0.94 0.59 1.12 1.78 2.12 -1.26 -5.14 118.70 116.97 2k8h s GLU 22 Ca 0.12 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.53 2k8h s GLU 22 Cb -0.10 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.50 2k8h s GLU 22 CO 0.02 -0.13 0.00 -1.91 -0.54 0.00 0.00 175.26 172.69 2k8h n GLU 23 N 4.31 -1.21 -4.03 4.30 4.07 -1.26 -4.91 120.64 121.91 2k8h n GLU 23 Ca -0.18 0.80 -0.23 0.00 -0.06 0.00 0.00 57.16 57.49 2k8h n GLU 23 Cb 0.57 -1.47 -0.06 0.00 -0.06 0.00 0.00 31.44 30.42 2k8h n GLU 23 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2k8h s THR 24 N -0.98 3.19 0.11 6.31 -4.23 -1.26 -5.08 115.64 113.70 2k8h s THR 24 Ca 0.00 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.75 2k8h s THR 24 Cb 0.00 -3.04 0.03 0.00 1.34 0.00 0.00 72.50 70.83 2k8h s THR 24 CO 0.00 -0.19 0.36 0.00 -0.54 0.00 0.00 174.62 174.25 2k8h s ALA 25 N -2.39 -0.79 -0.12 3.99 0.00 -1.26 -5.03 121.76 116.16 2k8h s ALA 25 Ca 0.38 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.18 2k8h s ALA 25 Cb -0.04 0.60 0.05 0.00 0.00 0.00 0.00 23.12 23.74 2k8h s ALA 25 CO 0.24 -0.59 0.08 -0.51 0.00 0.00 0.00 175.76 174.97 2k8h s LEU 26 N -2.70 0.31 -0.07 0.00 1.02 -1.26 -3.99 118.68 111.99 2k8h s LEU 26 Ca 0.02 -0.36 -0.07 0.00 0.02 0.00 0.00 54.13 53.74 2k8h s LEU 26 Cb 0.02 -0.22 0.02 0.00 0.02 0.00 0.00 46.19 46.03 2k8h s LEU 26 CO -0.11 -0.31 0.19 0.68 0.02 0.00 0.00 176.35 176.82 2k8h s VAL 27 N 2.14 0.00 -0.10 -1.59 -7.23 -0.59 -4.76 120.40 108.28 2k8h s VAL 27 Ca 0.03 -0.01 -0.10 0.00 -1.81 0.00 0.00 61.98 60.09 2k8h s VAL 27 Cb -0.15 -0.27 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 2k8h s VAL 27 CO -0.07 -0.00 0.23 0.00 -0.31 0.00 0.00 175.10 174.95 2k8h s ALA 28 N 0.09 3.78 -0.02 1.32 0.00 -0.24 -1.30 121.76 125.39 2k8h s ALA 28 Ca -0.00 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.50 2k8h s ALA 28 Cb -0.01 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.95 2k8h s ALA 28 CO 0.00 0.49 -0.15 0.08 0.00 0.00 0.00 175.76 176.18 2k8h s VAL 29 N -0.77 1.19 -0.16 0.00 1.01 -0.49 -1.65 120.40 119.53 2k8h s VAL 29 Ca 0.17 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2k8h s VAL 29 Cb -0.13 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2k8h s VAL 29 CO 0.06 0.34 -0.14 -0.75 0.00 0.00 0.00 175.10 174.61 2k8h s LYS 30 N -0.16 2.34 -0.29 2.72 2.20 -0.33 -1.39 119.74 124.83 2k8h s LYS 30 Ca 0.02 -0.63 -0.09 0.00 -0.36 0.00 0.00 55.97 54.91 2k8h s LYS 30 Cb -0.08 -2.20 -0.01 0.00 -1.51 0.00 0.00 37.83 34.03 2k8h s LYS 30 CO 0.00 -0.26 0.13 0.54 -0.36 0.00 0.00 175.35 175.40 2k8h s VAL 31 N 1.45 4.53 0.12 4.02 0.11 -0.46 -1.44 120.40 128.73 2k8h s VAL 31 Ca 0.04 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 2k8h s VAL 31 Cb -0.13 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 2k8h s VAL 31 CO -0.11 0.15 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.11 2k8h s VAL 32 N 1.61 3.85 0.15 2.04 1.01 -0.16 -1.37 120.40 127.53 2k8h s VAL 32 Ca 0.05 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 60.93 2k8h s VAL 32 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2k8h s VAL 32 CO 0.06 0.03 -0.05 0.20 0.00 0.00 0.00 175.10 175.34 2k8h s ASN 33 N -2.54 4.55 0.61 3.32 -0.87 0.39 -1.61 114.94 118.80 2k8h s ASN 33 Ca 0.26 -0.43 0.32 0.00 -1.57 0.00 0.00 52.86 51.44 2k8h s ASN 33 Cb -0.11 -0.90 1.81 0.00 -0.02 0.00 0.00 41.25 42.03 2k8h s ASN 33 CO 0.18 0.12 2.14 0.00 -2.57 0.00 0.00 177.10 176.98 2k8h h ALA 34 N 3.05 1.57 0.00 0.60 0.00 -1.89 0.16 119.26 122.76 2k8h h ALA 34 Ca -0.47 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 2k8h h ALA 34 Cb 1.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2k8h h ALA 34 CO 0.56 -0.22 -0.54 -0.44 0.00 0.00 0.00 179.25 178.61 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 5.19 -1.94 -3.48 116.42 116.19 2k8h h ASP 35 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2k8h h ASP 35 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 2k8h h ASP 35 CO -0.00 0.52 0.00 0.61 -3.12 0.00 0.00 179.24 177.25 2k8h n GLY 36 N 1.23 1.65 3.54 2.75 0.00 0.57 -5.08 105.19 109.85 2k8h n GLY 36 Ca 0.02 -0.26 -0.50 0.00 0.00 0.00 0.00 46.02 45.27 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 0.93 -2.73 4.61 0.00 -1.26 -4.49 120.51 117.57 2k8h n ALA 37 Ca 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 2k8h n ALA 37 Cb 0.00 -2.53 -0.13 0.00 0.00 0.00 0.00 19.45 16.79 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 5.43 0.72 -0.16 0.00 1.03 -1.26 -0.46 118.70 123.99 2k8h s GLU 38 Ca 1.04 -0.64 -0.08 0.00 0.03 0.00 0.00 54.97 55.31 2k8h s GLU 38 Cb -0.81 -0.65 0.06 0.00 -0.80 0.00 0.00 34.13 31.93 2k8h s GLU 38 CO 0.51 0.16 0.38 0.00 -1.33 0.00 0.00 175.26 174.98 2k8h s MET 39 N -1.05 0.35 0.17 -4.83 0.23 -0.47 -4.98 119.30 108.71 2k8h s MET 39 Ca -0.02 0.76 0.11 0.00 -1.03 0.00 0.00 55.69 55.52 2k8h s MET 39 Cb -0.07 -0.02 -0.04 0.00 -1.53 0.00 0.00 34.83 33.17 2k8h s MET 39 CO 0.01 -0.17 -0.24 -0.59 -2.03 0.00 0.00 175.02 172.00 2k8h s PHE 40 N 1.47 2.23 0.21 3.16 -0.71 -1.26 -1.35 117.98 121.73 2k8h s PHE 40 Ca -0.09 -0.38 -0.21 0.00 -1.04 0.00 0.00 56.93 55.21 2k8h s PHE 40 Cb -0.09 -1.14 0.04 0.00 -1.21 0.00 0.00 43.02 40.62 2k8h s PHE 40 CO -0.12 0.42 0.63 -0.06 -1.34 0.00 0.00 175.22 174.75 2k8h s PHE 41 N -1.50 -0.33 -0.12 3.49 0.08 -0.48 -4.98 117.98 114.14 2k8h s PHE 41 Ca 0.18 0.00 -0.12 0.00 0.12 0.00 0.00 56.93 57.11 2k8h s PHE 41 Cb -0.08 0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 42.90 2k8h s PHE 41 CO 0.08 -1.00 0.26 0.50 -0.10 0.00 0.00 175.22 174.96 2k8h s ARG 42 N -3.84 3.93 0.05 0.44 3.52 -1.26 -1.39 118.95 120.41 2k8h s ARG 42 Ca 0.06 0.07 -0.27 0.00 -0.13 0.00 0.00 55.73 55.46 2k8h s ARG 42 Cb -0.03 -3.31 0.07 0.00 -1.56 0.00 0.00 34.95 30.13 2k8h s ARG 42 CO -0.04 0.51 0.66 -1.50 -0.81 0.00 0.00 175.30 174.12 2k8h s ILE 43 N -0.34 0.00 0.24 4.11 1.10 -0.42 -5.00 121.20 120.90 2k8h s ILE 43 Ca 0.17 0.00 -0.31 0.00 -0.51 0.00 0.00 60.65 59.99 2k8h s ILE 43 Cb -0.13 -1.00 -0.13 0.00 0.15 0.00 0.00 42.46 41.35 2k8h s ILE 43 CO 0.05 0.00 1.54 1.17 -2.11 0.00 0.00 174.94 175.59 2k8h n LYS 44 N 0.21 2.37 -0.24 3.50 4.81 -1.26 -1.54 118.16 126.02 2k8h n LYS 44 Ca -0.17 0.85 0.23 0.00 -0.87 0.00 0.00 58.31 58.34 2k8h n LYS 44 Cb 0.61 -2.59 0.58 0.00 0.02 0.00 0.00 35.03 33.65 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 4.98 0.29 -0.95 3.14 0.87 -1.85 0.12 113.55 120.16 2k8h h SER 45 Ca -0.45 0.04 0.21 0.00 -1.23 0.00 0.00 61.79 60.35 2k8h h SER 45 Cb 1.25 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 63.11 2k8h h SER 45 CO 0.81 0.10 0.61 -0.09 -0.53 0.00 0.00 176.83 177.74 2k8h h ARG 46 N 0.28 0.49 -3.11 2.24 9.65 -1.88 -3.39 114.38 118.67 2k8h h ARG 46 Ca 0.48 -0.03 -0.30 0.00 -1.10 0.00 0.00 59.98 59.03 2k8h h ARG 46 Cb 1.39 -0.11 -0.36 0.00 -1.39 0.00 0.00 29.97 29.50 2k8h h ARG 46 CO -0.14 0.33 -0.64 -0.08 2.80 0.00 0.00 179.97 182.23 2k8h s THR 47 N -5.55 -0.25 0.09 0.20 -1.32 0.41 -4.86 115.64 104.37 2k8h s THR 47 Ca -0.09 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.75 2k8h s THR 47 Cb 0.23 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.94 2k8h s THR 47 CO 0.79 0.15 0.00 0.00 -2.21 0.00 0.00 174.62 173.35 2k8h n ALA 48 N 5.30 1.56 0.27 11.08 0.00 -1.26 -4.04 120.51 133.42 2k8h n ALA 48 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2k8h n ALA 48 Cb 0.50 0.00 0.74 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 0.33 0.00 7.12 -1.88 -0.50 115.31 120.39 2k8h h LEU 49 Ca 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 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 0.10 -0.16 0.11 -0.13 0.00 0.00 178.44 178.37 2k8h h LYS 50 N 0.00 -0.43 0.00 1.25 1.79 -1.91 -1.08 116.57 116.20 2k8h h LYS 50 Ca -0.00 0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 2k8h h LYS 50 Cb 0.28 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 2k8h h LYS 50 CO 0.01 -0.13 -0.51 0.87 -1.08 0.00 0.00 179.45 178.62 2k8h h LYS 51 N -0.73 0.00 0.23 3.15 1.57 -1.86 -0.87 116.57 118.06 2k8h h LYS 51 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2k8h h LYS 51 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2k8h h LYS 51 CO 0.07 0.51 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.28 2k8h h LEU 52 N 0.00 -0.26 -0.69 2.94 4.07 -1.04 0.25 115.31 120.57 2k8h h LEU 52 Ca -0.01 -0.20 -0.14 0.00 0.08 0.00 0.00 57.88 57.62 2k8h h LEU 52 Cb 0.98 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.78 2k8h h LEU 52 CO 0.07 0.07 -0.61 -0.29 -1.08 0.00 0.00 178.44 176.59 2k8h h ILE 53 N -0.62 1.41 -0.23 1.22 2.10 -1.22 -1.01 117.51 119.15 2k8h h ILE 53 Ca -0.03 -2.03 -0.18 0.00 1.08 0.00 0.00 64.86 63.70 2k8h h ILE 53 Cb 0.45 2.05 0.00 0.00 -1.09 0.00 0.00 36.82 38.23 2k8h h ILE 53 CO 0.05 0.59 -0.55 -0.78 -1.08 0.00 0.00 178.15 176.38 2k8h h ASP 54 N 0.12 0.89 -0.06 2.19 3.58 -1.14 -0.90 116.42 121.09 2k8h h ASP 54 Ca -0.01 -0.56 -0.22 0.00 0.42 0.00 0.00 57.03 56.66 2k8h h ASP 54 Cb 1.10 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.91 2k8h h ASP 54 CO 0.09 1.29 -0.80 0.74 -2.88 0.00 0.00 179.24 177.67 2k8h h THR 55 N 0.53 1.29 -0.33 2.25 2.02 -0.46 -1.02 112.91 117.19 2k8h h THR 55 Ca -0.00 -2.04 -0.11 0.00 0.77 0.00 0.00 66.41 65.03 2k8h h THR 55 Cb 1.17 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 2k8h h THR 55 CO 0.12 0.64 -0.24 0.22 0.37 0.00 0.00 175.52 176.63 2k8h h TYR 56 N 0.48 0.87 -0.26 3.16 5.03 -1.22 0.83 116.97 125.87 2k8h h TYR 56 Ca -0.06 -0.24 -0.12 0.00 2.58 0.00 0.00 58.73 60.89 2k8h h TYR 56 Cb 1.43 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 39.51 2k8h h TYR 56 CO 0.08 0.98 -0.31 0.00 -1.32 0.00 0.00 178.16 177.60 2k8h h LYS 58 N 0.38 0.94 -0.17 0.00 1.57 -1.19 -1.28 116.57 116.82 2k8h h LYS 58 Ca 0.03 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 2k8h h LYS 58 Cb 0.88 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2k8h h LYS 58 CO 0.07 1.06 -0.01 0.87 -0.57 0.00 0.00 179.45 180.87 2k8h h LYS 59 N 0.78 0.31 0.00 3.15 1.79 -0.83 -2.62 116.57 119.15 2k8h h LYS 59 Ca 0.10 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k8h h LYS 59 Cb 0.77 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 2k8h h LYS 59 CO 0.06 0.54 0.00 1.96 -1.08 0.00 0.00 179.45 180.94 2k8h h GLN 60 N 0.05 0.00 -0.11 3.15 4.20 -1.17 -3.46 115.11 117.78 2k8h h GLN 60 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2k8h h GLN 60 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.19 2k8h h GLN 60 CO 0.01 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.58 2k8h n GLY 61 N -0.88 0.55 2.83 3.46 0.00 -0.97 -5.06 105.19 105.11 2k8h n GLY 61 Ca -0.02 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.11 0.01 1.26 -0.61 -4.36 -0.52 -5.05 121.20 109.82 2k8h s ILE 62 Ca 0.00 0.08 -0.16 0.00 -0.26 0.00 0.00 60.65 60.31 2k8h s ILE 62 Cb 0.00 -0.07 0.30 0.00 1.25 0.00 0.00 42.46 43.94 2k8h s ILE 62 CO 0.00 0.05 0.84 -1.20 0.24 0.00 0.00 174.94 174.87 2k8h n SER 63 N 3.57 -2.55 -2.44 4.36 7.64 -1.26 -4.24 113.62 118.70 2k8h n SER 63 Ca -0.19 -0.37 -0.23 0.00 1.01 0.00 0.00 58.87 59.08 2k8h n SER 63 Cb 0.55 -1.14 -0.09 0.00 -1.01 0.00 0.00 64.21 62.52 2k8h n SER 63 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k8h n ARG 64 N -4.80 2.50 -2.62 1.43 1.74 -1.26 -4.31 116.66 109.33 2k8h n ARG 64 Ca 0.05 -1.97 -0.10 0.00 -0.77 0.00 0.00 57.85 55.06 2k8h n ARG 64 Cb 0.56 -2.16 0.03 0.00 -1.02 0.00 0.00 32.46 29.87 2k8h n ARG 64 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2k8h n ASN 65 N 1.62 2.33 -0.97 0.55 3.02 -1.26 -4.80 115.26 115.76 2k8h n ASN 65 Ca 0.49 -2.71 -0.01 0.00 -0.03 0.00 0.00 54.58 52.33 2k8h n ASN 65 Cb 0.64 -0.48 -0.00 0.00 -0.61 0.00 0.00 39.78 39.33 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 -0.40 -0.22 -3.66 6.41 2.88 -1.26 -5.13 113.62 112.24 2k8h n SER 66 Ca 0.16 -0.66 -0.06 0.00 -1.33 0.00 0.00 58.87 56.98 2k8h n SER 66 Cb 0.81 0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 64.28 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 -0.57 -0.30 2.46 -7.23 -1.26 -4.48 120.40 109.04 2k8h s VAL 67 Ca 0.01 0.08 -0.11 0.00 -1.81 0.00 0.00 61.98 60.15 2k8h s VAL 67 Cb 0.03 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 2k8h s VAL 67 CO -0.01 0.03 0.17 0.00 -0.31 0.00 0.00 175.10 174.99 2k8h s ARG 68 N 2.38 3.65 -0.41 4.82 1.70 -0.47 -4.90 118.95 125.72 2k8h s ARG 68 Ca -0.05 -0.51 -0.13 0.00 -0.47 0.00 0.00 55.73 54.56 2k8h s ARG 68 Cb -0.10 -3.62 0.03 0.00 -0.57 0.00 0.00 34.95 30.69 2k8h s ARG 68 CO -0.16 -0.30 0.28 -0.06 -1.08 0.00 0.00 175.30 173.99 2k8h s PHE 69 N 1.69 3.25 0.20 5.89 0.40 -1.25 -1.33 117.98 126.83 2k8h s PHE 69 Ca 0.06 -0.83 0.10 0.00 -0.60 0.00 0.00 56.93 55.66 2k8h s PHE 69 Cb -0.16 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 2k8h s PHE 69 CO 0.09 -0.66 -0.15 -0.48 0.70 0.00 0.00 175.22 174.72 2k8h s LEU 70 N 1.61 2.77 -0.29 -0.37 0.05 -0.83 -0.93 118.68 120.69 2k8h s LEU 70 Ca 0.04 -0.73 0.01 0.00 0.05 0.00 0.00 54.13 53.49 2k8h s LEU 70 Cb -0.20 -1.44 0.09 0.00 -2.05 0.00 0.00 46.19 42.59 2k8h s LEU 70 CO 0.08 0.09 0.05 0.12 -0.55 0.00 0.00 176.35 176.14 2k8h s PHE 71 N -1.84 2.39 -1.44 3.48 5.36 -0.27 -0.96 117.98 124.69 2k8h s PHE 71 Ca 0.25 -2.03 0.00 0.00 -0.96 0.00 0.00 56.93 54.18 2k8h s PHE 71 Cb -0.08 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 2k8h s PHE 71 CO 0.14 -0.86 0.00 -3.47 -1.46 0.00 0.00 175.22 169.57 2k8h n ASP 72 N 4.66 -4.64 0.00 6.13 -0.08 -1.26 -0.97 116.55 120.39 2k8h n ASP 72 Ca -0.03 0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 2k8h n ASP 72 Cb 0.43 -3.96 0.00 0.00 2.34 0.00 0.00 41.12 39.92 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 -0.76 1.08 3.14 0.27 0.00 -1.26 -5.06 105.19 102.60 2k8h n GLY 73 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2k8h n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8h s THR 74 N -2.00 4.41 -0.79 2.61 2.01 -0.14 -5.03 115.64 116.71 2k8h s THR 74 Ca 0.00 -3.44 -0.25 0.00 0.31 0.00 0.00 61.69 58.31 2k8h s THR 74 Cb 0.00 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2k8h s THR 74 CO 0.00 -1.03 1.91 -2.16 -0.69 0.00 0.00 174.62 172.66 2k8h s PRO 75 N -0.82 2.58 -0.06 4.92 0.04 -1.26 -1.12 135.00 139.28 2k8h s PRO 75 Ca 0.24 0.06 -0.12 0.00 0.04 0.00 0.00 61.00 61.22 2k8h s PRO 75 Cb -0.12 -4.80 0.02 0.00 0.04 0.00 0.00 34.50 29.65 2k8h s PRO 75 CO -0.09 -3.13 0.28 0.42 0.04 0.00 0.00 177.00 174.52 2k8h s ILE 76 N 9.70 0.03 -0.75 0.56 1.01 -0.11 -4.65 121.20 126.99 2k8h s ILE 76 Ca 0.69 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 61.00 2k8h s ILE 76 Cb -0.09 -0.49 0.19 0.00 0.01 0.00 0.00 42.46 42.08 2k8h s ILE 76 CO 0.08 -0.15 0.63 1.51 0.00 0.00 0.00 174.94 177.01 2k8h s ASP 77 N -0.60 5.98 -0.11 3.58 -4.77 -1.26 -4.57 116.67 114.92 2k8h s ASP 77 Ca -0.07 -2.92 -0.33 0.00 -3.30 0.00 0.00 52.55 45.93 2k8h s ASP 77 Cb -0.04 -2.01 0.15 0.00 -1.09 0.00 0.00 42.92 39.93 2k8h s ASP 77 CO 0.02 -0.42 1.44 -1.61 0.70 0.00 0.00 175.17 175.30 2k8h s GLU 78 N -0.17 0.01 -0.15 2.11 0.41 -1.26 -5.03 118.70 114.62 2k8h s GLU 78 Ca 0.19 -0.01 0.18 0.00 -0.41 0.00 0.00 54.97 54.92 2k8h s GLU 78 Cb -0.15 0.00 0.38 0.00 -1.78 0.00 0.00 34.13 32.59 2k8h s GLU 78 CO -0.06 -0.01 1.25 -2.37 -0.49 0.00 0.00 175.26 173.58 2k8h n THR 79 N -0.46 2.05 -0.05 3.63 5.66 -1.26 -4.56 114.28 119.28 2k8h n THR 79 Ca -0.09 -2.16 -0.08 0.00 -3.05 0.00 0.00 64.05 58.67 2k8h n THR 79 Cb 0.63 -0.25 -0.04 0.00 -1.55 0.00 0.00 70.33 69.12 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 -1.10 0.24 0.50 1.09 4.76 -1.26 -4.15 118.16 118.24 2k8h n LYS 80 Ca 0.18 0.07 -0.20 0.00 -2.87 0.00 0.00 58.31 55.49 2k8h n LYS 80 Cb 0.74 -1.12 -0.09 0.00 -1.84 0.00 0.00 35.03 32.71 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 -0.09 0.03 0.00 -0.18 2.02 -1.98 -1.27 112.91 111.43 2k8h h THR 81 Ca -0.23 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2k8h h THR 81 Cb 1.32 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2k8h h THR 81 CO -0.07 0.00 -0.06 1.55 0.37 0.00 0.00 175.52 177.31 2k8h h PRO 82 N -1.31 0.00 0.10 6.66 0.13 -1.86 -0.88 132.00 134.85 2k8h h PRO 82 Ca -0.13 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2k8h h PRO 82 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2k8h h PRO 82 CO 0.21 0.06 -0.05 1.49 -0.23 0.00 0.00 178.00 179.48 2k8h h GLU 83 N 0.00 -0.13 0.00 0.86 4.81 -1.68 -0.38 114.58 118.05 2k8h h GLU 83 Ca -0.00 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 2k8h h GLU 83 Cb 0.53 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2k8h h GLU 83 CO 0.01 0.36 -0.34 1.05 -0.73 0.00 0.00 179.01 179.36 2k8h h GLU 84 N -0.76 0.00 0.09 1.92 4.11 -1.22 0.46 114.58 119.17 2k8h h GLU 84 Ca -0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.16 2k8h h GLU 84 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k8h h GLU 84 CO 0.02 0.34 -1.15 1.25 0.07 0.00 0.00 179.01 179.55 2k8h h LEU 85 N 0.00 0.33 0.03 3.06 6.46 -1.21 -3.37 115.31 120.61 2k8h h LEU 85 Ca -0.00 -0.34 -0.26 0.00 -0.12 0.00 0.00 57.88 57.16 2k8h h LEU 85 Cb 1.09 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 2k8h h LEU 85 CO 0.04 1.25 -1.40 1.23 -0.62 0.00 0.00 178.44 178.95 2k8h h GLY 86 N 1.87 0.08 -3.03 3.75 0.00 -1.04 -3.48 103.07 101.21 2k8h h GLY 86 Ca -0.10 -0.19 -0.38 0.00 0.00 0.00 0.00 47.33 46.65 2k8h h GLY 86 CO 0.18 0.17 -0.48 1.03 0.00 0.00 0.00 176.54 177.44 2k8h n MET 87 N -4.22 -1.77 -4.38 4.80 2.81 0.15 -4.96 117.12 109.55 2k8h n MET 87 Ca -0.31 0.95 -0.20 0.00 -1.81 0.00 0.00 57.70 56.33 2k8h n MET 87 Cb 0.76 -5.58 -0.10 0.00 -0.71 0.00 0.00 33.22 27.60 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 -4.95 1.61 -0.14 0.03 -1.05 -1.26 -5.04 118.70 107.89 2k8h s GLU 88 Ca 0.00 -1.92 0.17 0.00 -0.15 0.00 0.00 54.97 53.08 2k8h s GLU 88 Cb 0.00 -0.35 0.73 0.00 -0.44 0.00 0.00 34.13 34.08 2k8h s GLU 88 CO 0.00 -0.37 1.65 -0.40 0.95 0.00 0.00 175.26 177.09 2k8h n ASP 89 N -0.83 4.95 -2.17 0.83 5.68 -1.26 -4.37 116.55 119.38 2k8h n ASP 89 Ca -0.01 -2.58 -0.25 0.00 -0.50 0.00 0.00 54.79 51.46 2k8h n ASP 89 Cb 0.66 -0.60 0.01 0.00 -1.14 0.00 0.00 41.12 40.05 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 0.94 4.81 -4.65 -1.12 8.00 -1.20 -1.08 116.55 122.26 2k8h n ASP 90 Ca 0.26 -3.72 -0.43 0.00 0.71 0.00 0.00 54.79 51.62 2k8h n ASP 90 Cb 0.96 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 2k8h n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k8h s ASP 91 N -3.58 6.70 0.15 -2.24 2.15 -0.66 -4.91 116.67 114.27 2k8h s ASP 91 Ca 0.50 1.70 0.06 0.00 0.43 0.00 0.00 52.55 55.24 2k8h s ASP 91 Cb 0.41 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 2k8h s ASP 91 CO -0.03 -0.98 0.06 0.68 -0.17 0.00 0.00 175.17 174.73 2k8h s VAL 92 N 4.19 4.14 -0.15 1.11 -7.23 -1.26 -1.19 120.40 120.01 2k8h s VAL 92 Ca 0.63 -1.15 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 2k8h s VAL 92 Cb -0.24 -3.06 0.05 0.00 0.56 0.00 0.00 36.38 33.68 2k8h s VAL 92 CO 0.23 -0.04 0.38 -0.51 -0.31 0.00 0.00 175.10 174.84 2k8h s ILE 93 N -1.62 -0.02 -0.18 -0.62 1.10 -0.52 -4.46 121.20 114.88 2k8h s ILE 93 Ca 0.29 0.06 -0.03 0.00 -0.51 0.00 0.00 60.65 60.45 2k8h s ILE 93 Cb -0.10 -0.55 -0.02 0.00 0.15 0.00 0.00 42.46 41.94 2k8h s ILE 93 CO 0.21 0.02 -0.06 -1.81 -2.11 0.00 0.00 174.94 171.19 2k8h s ASP 94 N 0.82 4.42 -0.51 4.50 1.01 -0.14 -0.99 116.67 125.78 2k8h s ASP 94 Ca -0.05 -0.28 -0.15 0.00 0.71 0.00 0.00 52.55 52.78 2k8h s ASP 94 Cb -0.06 -1.73 0.11 0.00 1.01 0.00 0.00 42.92 42.26 2k8h s ASP 94 CO -0.06 0.09 0.45 0.00 0.21 0.00 0.00 175.17 175.85 2k8h s ALA 95 N 0.85 3.59 0.27 5.23 0.00 -0.63 -1.97 121.76 129.10 2k8h s ALA 95 Ca -0.01 -2.43 -0.06 0.00 0.00 0.00 0.00 51.96 49.46 2k8h s ALA 95 Cb -0.15 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 2k8h s ALA 95 CO 0.01 -1.93 0.54 -1.64 0.00 0.00 0.00 175.76 172.75 2k8h s MET 96 N 1.58 3.66 -0.03 0.00 -1.94 -0.44 -3.86 119.30 118.26 2k8h s MET 96 Ca 0.04 0.06 0.06 0.00 -1.71 0.00 0.00 55.69 54.14 2k8h s MET 96 Cb -0.28 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 33.89 2k8h s MET 96 CO 0.03 0.25 -0.22 0.14 -0.01 0.00 0.00 175.02 175.21 2k8h s VAL 97 N -2.01 1.77 -0.58 -6.03 -7.23 -1.26 -1.37 120.40 103.68 2k8h s VAL 97 Ca 0.44 -0.95 0.04 0.00 -1.81 0.00 0.00 61.98 59.71 2k8h s VAL 97 Cb -0.11 -1.48 0.37 0.00 0.56 0.00 0.00 36.38 35.72 2k8h s VAL 97 CO 0.28 0.50 1.13 -0.62 -0.31 0.00 0.00 175.10 176.08 2k8h n GLU 98 N 2.66 3.46 -2.92 4.82 1.02 -1.26 -5.06 120.64 123.37 2k8h n GLU 98 Ca -0.16 -4.67 -0.35 0.00 -0.02 0.00 0.00 57.16 51.97 2k8h n GLU 98 Cb 0.52 -2.26 -0.07 0.00 -0.02 0.00 0.00 31.44 29.61 2k8h n GLU 98 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2k8h s GLN 99 N -3.60 4.30 -1.46 3.49 -1.52 -1.26 -3.77 119.66 115.84 2k8h s GLN 99 Ca 0.48 1.05 -0.06 0.00 -1.95 0.00 0.00 55.36 54.89 2k8h s GLN 99 Cb 0.32 -2.54 0.03 0.00 -0.22 0.00 0.00 33.01 30.60 2k8h s GLN 99 CO -0.17 0.17 0.50 2.41 -0.25 0.00 0.00 175.29 177.96 2k8h n THR 100 N 0.01 -1.57 -2.03 -0.19 -1.04 -1.26 -4.83 114.28 103.38 2k8h n THR 100 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2k8h n THR 100 Cb 0.52 -2.85 0.00 0.00 -1.82 0.00 0.00 70.33 66.18 2k8h n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k8h n GLY 101 N -1.35 0.58 3.35 3.41 0.00 -1.25 -4.98 105.19 104.95 2k8h n GLY 101 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93