#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8h s SER 2 N 0.00 1.97 0.08 3.17 0.01 -1.26 -5.11 113.70 112.56 2k8h s SER 2 Ca 0.00 -0.33 -0.31 0.00 1.31 0.00 0.00 55.95 56.63 2k8h s SER 2 Cb 0.00 -0.66 -0.07 0.00 0.21 0.00 0.00 66.02 65.50 2k8h s SER 2 CO 0.00 0.11 1.36 0.20 0.41 0.00 0.00 173.24 175.32 2k8h s ASN 3 N 0.24 6.87 -0.42 2.44 0.02 -1.26 -4.97 114.94 117.86 2k8h s ASN 3 Ca -0.07 2.22 -0.25 0.00 -1.02 0.00 0.00 52.86 53.73 2k8h s ASN 3 Cb -0.13 -2.58 0.02 0.00 0.02 0.00 0.00 41.25 38.59 2k8h s ASN 3 CO 0.03 -0.64 0.91 0.21 0.02 0.00 0.00 177.10 177.62 2k8h s ASN 4 N 1.31 6.56 0.03 -1.22 3.84 -1.26 -4.99 114.94 119.21 2k8h s ASN 4 Ca 0.63 0.30 -0.27 0.00 0.21 0.00 0.00 52.86 53.73 2k8h s ASN 4 Cb -0.34 -2.45 0.09 0.00 -0.55 0.00 0.00 41.25 38.00 2k8h s ASN 4 CO 0.29 -0.95 0.79 -0.83 -2.79 0.00 0.00 177.10 173.62 2k8h s GLY 5 N 2.08 -0.51 0.31 1.21 0.00 -1.26 -5.19 107.32 103.97 2k8h s GLY 5 Ca 0.37 0.97 0.03 0.00 0.00 0.00 0.00 44.72 46.08 2k8h s GLY 5 CO 0.23 0.40 0.14 -0.32 0.00 0.00 0.00 173.10 173.54 2k8h s GLY 6 N -2.33 2.05 0.38 0.20 0.00 -1.26 -5.16 107.32 101.18 2k8h s GLY 6 Ca 0.02 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.99 2k8h s GLY 6 CO -0.08 -1.62 0.59 -0.54 0.00 0.00 0.00 173.10 171.46 2k8h s GLU 7 N -3.85 3.44 0.78 2.90 2.02 -1.26 -5.09 118.70 117.65 2k8h s GLU 7 Ca 0.35 -0.28 -0.11 0.00 0.02 0.00 0.00 54.97 54.95 2k8h s GLU 7 Cb 0.05 -2.61 0.06 0.00 0.10 0.00 0.00 34.13 31.73 2k8h s GLU 7 CO 0.16 0.06 1.09 -1.25 0.02 0.00 0.00 175.26 175.34 2k8h s PRO 8 N -4.40 2.17 -0.30 0.39 0.04 -1.26 -5.07 135.00 126.57 2k8h s PRO 8 Ca 0.42 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.47 2k8h s PRO 8 Cb -0.10 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.71 2k8h s PRO 8 CO 0.37 -1.70 0.88 0.45 0.04 0.00 0.00 177.00 177.04 2k8h s SER 9 N -3.39 -0.77 0.00 6.66 0.15 -1.26 -5.09 113.70 110.00 2k8h s SER 9 Ca 0.61 0.98 0.00 0.00 0.70 0.00 0.00 55.95 58.25 2k8h s SER 9 Cb -0.17 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.98 2k8h s SER 9 CO 0.56 -0.15 0.00 -3.20 1.20 0.00 0.00 173.24 171.65 2k8h n ASN 10 N 5.16 0.00 -2.67 5.45 5.15 -1.26 -5.07 115.26 122.01 2k8h n ASN 10 Ca -0.09 0.33 -0.03 0.00 -0.60 0.00 0.00 54.58 54.18 2k8h n ASN 10 Cb 0.52 -0.49 -0.03 0.00 -0.53 0.00 0.00 39.78 39.25 2k8h n ASN 10 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k8h n ASN 11 N -2.13 -3.85 -3.18 1.20 3.02 -1.26 -5.01 115.26 104.06 2k8h n ASN 11 Ca 0.00 1.37 -0.20 0.00 -0.03 0.00 0.00 54.58 55.72 2k8h n ASN 11 Cb 0.00 -5.18 -0.04 0.00 -0.61 0.00 0.00 39.78 33.95 2k8h n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k8h n GLY 12 N 1.31 3.26 0.00 7.41 0.00 -1.26 -4.99 105.19 110.92 2k8h n GLY 12 Ca -0.23 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 0.68 -2.06 2.59 -0.02 0.00 -1.26 -5.17 105.19 99.95 2k8h n GLY 13 Ca 0.23 0.68 0.15 0.00 0.00 0.00 0.00 46.02 47.08 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 0.00 -2.20 -4.20 1.61 2.13 -1.26 -4.84 120.64 111.88 2k8h n GLU 14 Ca 0.00 1.45 -0.33 0.00 0.66 0.00 0.00 57.16 58.94 2k8h n GLU 14 Cb 0.00 -2.68 -0.08 0.00 0.27 0.00 0.00 31.44 28.95 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 -6.64 1.93 -0.51 8.31 0.00 -1.26 -5.08 107.32 104.08 2k8h s GLY 15 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.83 2k8h s GLY 15 CO 0.00 -0.81 0.25 0.00 0.00 0.00 0.00 173.10 172.53 2k8h s ALA 16 N -1.14 3.28 0.01 3.20 0.00 -1.26 -5.07 121.76 120.77 2k8h s ALA 16 Ca 0.21 -3.22 0.00 0.00 0.00 0.00 0.00 51.96 48.95 2k8h s ALA 16 Cb -0.12 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 2k8h s ALA 16 CO 0.12 -2.00 -0.02 -1.21 0.00 0.00 0.00 175.76 172.66 2k8h s GLU 17 N -0.20 0.16 0.00 0.00 2.02 -1.26 -5.11 118.70 114.31 2k8h s GLU 17 Ca 0.17 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2k8h s GLU 17 Cb -0.25 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 33.92 2k8h s GLU 17 CO -0.01 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2k8h n GLY 18 N 2.66 2.45 1.64 -1.39 0.00 -1.26 -5.08 105.19 104.22 2k8h n GLY 18 Ca -0.15 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2k8h n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k8h n THR 19 N 1.37 0.12 -2.90 2.61 -1.04 -1.26 -5.09 114.28 108.09 2k8h n THR 19 Ca 0.00 0.04 -0.06 0.00 -2.04 0.00 0.00 64.05 61.99 2k8h n THR 19 Cb 0.00 -0.51 0.01 0.00 -1.82 0.00 0.00 70.33 68.01 2k8h n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k8h s LYS 21 N -1.90 4.11 -0.62 0.00 -2.85 -1.26 -4.37 119.74 112.86 2k8h s LYS 21 Ca 0.11 1.23 -0.06 0.00 -1.00 0.00 0.00 55.97 56.25 2k8h s LYS 21 Cb -0.02 -2.22 0.01 0.00 -2.06 0.00 0.00 37.83 33.54 2k8h s LYS 21 CO 0.68 -0.14 0.65 -1.91 0.10 0.00 0.00 175.35 174.73 2k8h n GLU 22 N -0.63 -1.68 -1.52 1.78 4.07 -1.26 -5.04 120.64 116.35 2k8h n GLU 22 Ca 0.07 1.71 -0.01 0.00 -0.06 0.00 0.00 57.16 58.87 2k8h n GLU 22 Cb 0.53 -5.67 0.00 0.00 -0.06 0.00 0.00 31.44 26.24 2k8h n GLU 22 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2k8h n GLU 23 N -1.23 0.18 -4.12 5.31 4.07 -1.26 -5.15 120.64 118.43 2k8h n GLU 23 Ca 0.04 -0.36 -0.35 0.00 -0.06 0.00 0.00 57.16 56.44 2k8h n GLU 23 Cb 0.48 0.45 -0.13 0.00 -0.06 0.00 0.00 31.44 32.19 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 -2.79 3.83 0.13 6.31 -4.23 -1.26 -5.09 115.64 112.53 2k8h s THR 24 Ca 0.03 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.14 2k8h s THR 24 Cb -0.01 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 2k8h s THR 24 CO 0.02 0.44 0.13 0.00 -0.54 0.00 0.00 174.62 174.67 2k8h s ALA 25 N 0.95 0.47 -0.04 3.99 0.00 -1.26 -5.15 121.76 120.72 2k8h s ALA 25 Ca 0.01 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.79 2k8h s ALA 25 Cb -0.14 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.77 2k8h s ALA 25 CO 0.01 -0.53 -0.07 -0.51 0.00 0.00 0.00 175.76 174.66 2k8h s LEU 26 N -3.00 1.53 -0.04 0.00 1.02 -1.26 -4.00 118.68 112.94 2k8h s LEU 26 Ca 0.19 -0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.18 2k8h s LEU 26 Cb 0.06 -0.54 0.01 0.00 0.02 0.00 0.00 46.19 45.74 2k8h s LEU 26 CO -0.01 -0.00 -0.08 -0.69 0.02 0.00 0.00 176.35 175.59 2k8h s VAL 27 N 0.64 0.74 0.02 -1.59 1.01 -0.51 -4.65 120.40 116.06 2k8h s VAL 27 Ca -0.10 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.41 2k8h s VAL 27 Cb -0.13 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.50 2k8h s VAL 27 CO 0.01 0.25 0.49 0.00 0.00 0.00 0.00 175.10 175.85 2k8h s ALA 28 N 0.44 3.63 0.06 5.51 0.00 -0.17 -1.45 121.76 129.77 2k8h s ALA 28 Ca -0.07 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 51.88 2k8h s ALA 28 Cb -0.11 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.45 2k8h s ALA 28 CO 0.01 0.39 -0.24 0.08 0.00 0.00 0.00 175.76 176.00 2k8h s VAL 29 N -0.91 2.34 -0.20 0.00 1.01 -0.45 -1.54 120.40 120.65 2k8h s VAL 29 Ca 0.26 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 2k8h s VAL 29 Cb -0.18 -1.95 0.06 0.00 0.00 0.00 0.00 36.38 34.31 2k8h s VAL 29 CO 0.16 0.32 0.01 -0.75 0.00 0.00 0.00 175.10 174.83 2k8h s LYS 30 N -1.41 0.94 -0.26 2.72 2.20 -0.33 -1.47 119.74 122.12 2k8h s LYS 30 Ca 0.13 -0.55 -0.15 0.00 -0.36 0.00 0.00 55.97 55.04 2k8h s LYS 30 Cb -0.10 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 2k8h s LYS 30 CO 0.04 -0.61 0.36 0.08 -0.36 0.00 0.00 175.35 174.85 2k8h s VAL 31 N 1.73 5.19 0.28 4.02 1.01 -0.45 -1.48 120.40 130.70 2k8h s VAL 31 Ca -0.02 0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.61 2k8h s VAL 31 Cb -0.17 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2k8h s VAL 31 CO -0.07 0.18 -0.02 0.68 0.00 0.00 0.00 175.10 175.87 2k8h s VAL 32 N 1.92 3.25 0.04 2.92 -7.23 -0.51 -1.46 120.40 119.33 2k8h s VAL 32 Ca 0.15 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 2k8h s VAL 32 Cb -0.16 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.01 2k8h s VAL 32 CO 0.10 -0.36 0.20 0.54 -0.31 0.00 0.00 175.10 175.27 2k8h s ASN 33 N -3.67 0.02 0.27 4.85 2.20 -1.10 -1.33 114.94 116.18 2k8h s ASN 33 Ca 0.32 -0.34 0.21 0.00 -0.94 0.00 0.00 52.86 52.11 2k8h s ASN 33 Cb -0.06 0.29 1.02 0.00 -2.00 0.00 0.00 41.25 40.50 2k8h s ASN 33 CO 0.19 -0.55 1.63 0.00 -2.94 0.00 0.00 177.10 175.43 2k8h n ALA 34 N 0.74 1.26 0.26 3.54 0.00 -1.26 -1.76 120.51 123.29 2k8h n ALA 34 Ca -0.19 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2k8h n ALA 34 Cb 0.59 -1.32 0.73 0.00 0.00 0.00 0.00 19.45 19.45 2k8h n ALA 34 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2k8h h ASP 35 N 0.00 0.00 0.00 0.00 1.82 -1.95 -3.46 116.42 112.84 2k8h h ASP 35 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2k8h h ASP 35 Cb 0.12 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2k8h h ASP 35 CO 0.00 0.12 0.00 0.61 -1.61 0.00 0.00 179.24 178.36 2k8h n GLY 36 N -0.68 1.11 3.79 -0.78 0.00 -0.72 -5.11 105.19 102.80 2k8h n GLY 36 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2k8h n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k8h s ALA 37 N -2.00 3.73 -0.21 4.61 0.00 -1.25 -5.01 121.76 121.63 2k8h s ALA 37 Ca 0.00 -1.90 -0.27 0.00 0.00 0.00 0.00 51.96 49.79 2k8h s ALA 37 Cb 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.43 2k8h s ALA 37 CO 0.00 -0.10 0.75 -1.83 0.00 0.00 0.00 175.76 174.58 2k8h s GLU 38 N -3.96 0.85 -0.07 0.00 -1.05 -1.26 -2.73 118.70 110.48 2k8h s GLU 38 Ca 0.42 0.73 -0.00 0.00 -0.15 0.00 0.00 54.97 55.97 2k8h s GLU 38 Cb -0.01 0.41 0.02 0.00 -0.44 0.00 0.00 34.13 34.11 2k8h s GLU 38 CO 0.25 -0.16 -0.04 0.00 0.95 0.00 0.00 175.26 176.26 2k8h s MET 39 N -0.10 0.93 0.05 -4.83 0.23 -0.54 -4.99 119.30 110.06 2k8h s MET 39 Ca -0.03 -0.07 0.06 0.00 -1.03 0.00 0.00 55.69 54.62 2k8h s MET 39 Cb -0.04 -1.08 -0.04 0.00 -1.53 0.00 0.00 34.83 32.15 2k8h s MET 39 CO 0.03 -0.20 -0.11 -0.59 -2.03 0.00 0.00 175.02 172.12 2k8h s PHE 40 N 1.49 2.75 -0.26 3.16 -0.12 -1.26 -1.34 117.98 122.40 2k8h s PHE 40 Ca -0.02 -0.14 -0.24 0.00 -0.05 0.00 0.00 56.93 56.49 2k8h s PHE 40 Cb -0.13 -1.51 0.07 0.00 -0.63 0.00 0.00 43.02 40.82 2k8h s PHE 40 CO -0.04 0.36 0.69 0.12 -0.05 0.00 0.00 175.22 176.30 2k8h s PHE 41 N -1.06 -0.76 -0.05 3.49 5.36 -0.54 -5.00 117.98 119.42 2k8h s PHE 41 Ca 0.18 1.85 -0.18 0.00 -0.96 0.00 0.00 56.93 57.82 2k8h s PHE 41 Cb -0.11 0.27 -0.05 0.00 -0.34 0.00 0.00 43.02 42.79 2k8h s PHE 41 CO 0.09 -0.37 0.50 1.03 -1.46 0.00 0.00 175.22 175.02 2k8h s ARG 42 N 0.40 4.23 0.01 10.12 0.52 -1.26 -1.34 118.95 131.62 2k8h s ARG 42 Ca -0.00 0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 55.46 2k8h s ARG 42 Cb -0.05 -3.35 0.07 0.00 0.52 0.00 0.00 34.95 32.14 2k8h s ARG 42 CO 0.00 0.36 0.67 -1.50 0.02 0.00 0.00 175.30 174.86 2k8h s ILE 43 N -0.08 0.00 0.19 1.52 1.10 -0.53 -4.99 121.20 118.40 2k8h s ILE 43 Ca 0.27 0.00 -0.33 0.00 -0.51 0.00 0.00 60.65 60.08 2k8h s ILE 43 Cb -0.17 -1.00 -0.15 0.00 0.15 0.00 0.00 42.46 41.29 2k8h s ILE 43 CO 0.13 0.00 1.27 0.29 -2.11 0.00 0.00 174.94 174.52 2k8h n LYS 44 N 0.51 1.47 -0.11 3.50 4.76 -1.26 -1.43 118.16 125.61 2k8h n LYS 44 Ca -0.18 0.53 0.23 0.00 -2.87 0.00 0.00 58.31 56.02 2k8h n LYS 44 Cb 0.59 -2.10 0.67 0.00 -1.84 0.00 0.00 35.03 32.36 2k8h n LYS 44 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2k8h h SER 45 N 3.84 0.07 -0.81 4.39 4.64 -1.84 0.79 113.55 124.63 2k8h h SER 45 Ca -0.44 0.01 0.24 0.00 -0.47 0.00 0.00 61.79 61.12 2k8h h SER 45 Cb 1.32 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 2k8h h SER 45 CO 0.73 0.03 0.61 -0.09 -0.87 0.00 0.00 176.83 177.24 2k8h h ARG 46 N 0.07 0.00 -2.35 4.77 1.12 -1.87 -3.39 114.38 112.73 2k8h h ARG 46 Ca 0.36 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.18 2k8h h ARG 46 Cb 1.31 0.00 -0.24 0.00 -0.01 0.00 0.00 29.97 31.02 2k8h h ARG 46 CO -0.03 0.00 -0.23 0.99 -3.11 0.00 0.00 179.97 177.59 2k8h s THR 47 N -4.93 -0.42 0.38 0.20 2.01 0.27 -4.86 115.64 108.29 2k8h s THR 47 Ca -0.05 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2k8h s THR 47 Cb 0.21 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.93 2k8h s THR 47 CO 0.74 0.03 0.00 0.00 -0.69 0.00 0.00 174.62 174.70 2k8h n ALA 48 N 4.88 0.85 0.22 7.40 0.00 -1.26 -4.15 120.51 128.46 2k8h n ALA 48 Ca -0.16 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.34 2k8h n ALA 48 Cb 0.53 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.46 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 -0.03 0.00 7.12 -1.90 -0.00 115.31 120.50 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 0.24 -0.01 0.11 -0.13 0.00 0.00 178.44 178.65 2k8h h LYS 50 N 0.00 0.05 0.00 1.25 1.79 -1.91 -0.98 116.57 116.77 2k8h h LYS 50 Ca -0.00 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 2k8h h LYS 50 Cb 0.45 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 2k8h h LYS 50 CO 0.03 0.45 -0.51 -0.22 -1.08 0.00 0.00 179.45 178.11 2k8h h LYS 51 N -0.34 0.00 0.14 3.15 1.63 -1.86 -0.89 116.57 118.39 2k8h h LYS 51 Ca 0.01 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2k8h h LYS 51 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2k8h h LYS 51 CO 0.00 0.51 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.38 2k8h h LEU 52 N 0.00 -0.16 -0.93 5.20 -0.00 -0.95 0.70 115.31 119.18 2k8h h LEU 52 Ca -0.01 -0.36 -0.11 0.00 -0.00 0.00 0.00 57.88 57.41 2k8h h LEU 52 Cb 1.00 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.69 2k8h h LEU 52 CO 0.07 0.32 -0.45 -0.29 -0.00 0.00 0.00 178.44 178.08 2k8h h ILE 53 N -0.69 1.33 -0.11 1.22 2.10 -1.21 -0.85 117.51 119.30 2k8h h ILE 53 Ca -0.02 -1.61 -0.13 0.00 1.08 0.00 0.00 64.86 64.18 2k8h h ILE 53 Cb 0.51 1.78 0.00 0.00 -1.09 0.00 0.00 36.82 38.02 2k8h h ILE 53 CO 0.03 0.48 -0.43 0.44 -1.08 0.00 0.00 178.15 177.59 2k8h h ASP 54 N 0.15 0.58 -0.41 2.19 5.19 -1.19 -0.99 116.42 121.93 2k8h h ASP 54 Ca 0.01 -0.62 -0.15 0.00 -0.62 0.00 0.00 57.03 55.65 2k8h h ASP 54 Cb 0.86 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 2k8h h ASP 54 CO 0.07 1.10 -0.31 0.74 -3.12 0.00 0.00 179.24 177.71 2k8h h THR 55 N 0.09 1.27 0.23 0.35 2.02 -0.80 -0.91 112.91 115.16 2k8h h THR 55 Ca -0.02 -1.48 -0.01 0.00 0.77 0.00 0.00 66.41 65.66 2k8h h THR 55 Cb 1.06 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2k8h h THR 55 CO 0.09 0.50 -0.11 0.22 0.37 0.00 0.00 175.52 176.59 2k8h h TYR 56 N 0.78 -0.29 -0.84 3.16 5.03 -1.21 0.12 116.97 123.72 2k8h h TYR 56 Ca 0.08 -0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.42 2k8h h TYR 56 Cb 0.90 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 39.23 2k8h h TYR 56 CO 0.06 0.08 0.53 0.00 -1.32 0.00 0.00 178.16 177.51 2k8h h LYS 58 N 1.03 0.00 -0.15 0.00 3.64 -1.18 -0.47 116.57 119.44 2k8h h LYS 58 Ca 0.34 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.68 2k8h h LYS 58 Cb 0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2k8h h LYS 58 CO -0.12 0.60 -0.08 0.87 -2.27 0.00 0.00 179.45 178.45 2k8h h LYS 59 N 0.00 0.31 0.00 1.90 1.79 0.23 -2.91 116.57 117.89 2k8h h LYS 59 Ca -0.01 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2k8h h LYS 59 Cb 1.06 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 2k8h h LYS 59 CO 0.08 0.64 0.00 0.37 -1.08 0.00 0.00 179.45 179.46 2k8h h GLN 60 N -0.03 0.00 -0.01 3.15 4.15 -1.19 -3.46 115.11 117.71 2k8h h GLN 60 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2k8h h GLN 60 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2k8h h GLN 60 CO 0.02 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.33 2k8h n GLY 61 N -0.02 1.04 2.91 2.39 0.00 -0.98 -5.08 105.19 105.45 2k8h n GLY 61 Ca 0.01 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.01 0.26 1.25 -0.61 -4.36 -0.22 -5.03 121.20 110.48 2k8h s ILE 62 Ca 0.00 -0.11 -0.17 0.00 -0.26 0.00 0.00 60.65 60.11 2k8h s ILE 62 Cb 0.00 -0.25 0.29 0.00 1.25 0.00 0.00 42.46 43.76 2k8h s ILE 62 CO 0.00 0.09 0.80 -1.20 0.24 0.00 0.00 174.94 174.87 2k8h n SER 63 N 3.18 -2.59 -2.44 4.36 7.64 -1.26 -4.03 113.62 118.47 2k8h n SER 63 Ca -0.15 -0.37 -0.23 0.00 1.01 0.00 0.00 58.87 59.13 2k8h n SER 63 Cb 0.57 -1.12 -0.10 0.00 -1.01 0.00 0.00 64.21 62.55 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 -4.67 2.55 -2.69 1.43 1.74 -1.26 -4.24 116.66 109.52 2k8h n ARG 64 Ca 0.05 -1.81 -0.07 0.00 -0.77 0.00 0.00 57.85 55.25 2k8h n ARG 64 Cb 0.56 -2.19 0.04 0.00 -1.02 0.00 0.00 32.46 29.84 2k8h n ARG 64 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2k8h n ASN 65 N 1.99 2.00 -0.85 0.55 0.23 -1.26 -4.80 115.26 113.12 2k8h n ASN 65 Ca 0.51 -2.50 -0.05 0.00 -0.53 0.00 0.00 54.58 52.01 2k8h n ASN 65 Cb 0.66 -0.48 -0.05 0.00 -2.08 0.00 0.00 39.78 37.83 2k8h n ASN 65 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2k8h n SER 66 N -0.42 -0.72 -3.64 0.53 2.88 -1.26 -5.12 113.62 105.86 2k8h n SER 66 Ca 0.13 -1.54 -0.05 0.00 -1.33 0.00 0.00 58.87 56.08 2k8h n SER 66 Cb 0.81 0.22 -0.07 0.00 -0.75 0.00 0.00 64.21 64.42 2k8h n SER 66 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k8h s VAL 67 N 0.00 0.00 -0.27 2.46 0.11 -1.26 -4.85 120.40 116.60 2k8h s VAL 67 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2k8h s VAL 67 Cb 0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2k8h s VAL 67 CO 0.00 0.00 -0.07 -0.60 -3.33 0.00 0.00 175.10 171.10 2k8h s ARG 68 N 1.34 2.42 -0.02 1.54 6.06 -0.54 -4.95 118.95 124.80 2k8h s ARG 68 Ca -0.08 -1.24 -0.24 0.00 -2.50 0.00 0.00 55.73 51.66 2k8h s ARG 68 Cb -0.04 -2.97 -0.04 0.00 0.06 0.00 0.00 34.95 31.95 2k8h s ARG 68 CO -0.16 -0.54 0.73 -0.06 -2.50 0.00 0.00 175.30 172.77 2k8h s PHE 69 N 1.19 3.64 -0.03 5.12 0.40 -1.26 -1.36 117.98 125.68 2k8h s PHE 69 Ca -0.06 1.34 0.03 0.00 -0.60 0.00 0.00 56.93 57.64 2k8h s PHE 69 Cb -0.19 -2.81 0.00 0.00 0.51 0.00 0.00 43.02 40.53 2k8h s PHE 69 CO -0.04 0.17 -0.09 -0.48 0.70 0.00 0.00 175.22 175.47 2k8h s LEU 70 N 0.44 1.79 -0.12 -0.37 0.05 -0.98 -1.05 118.68 118.45 2k8h s LEU 70 Ca 0.38 -0.19 0.02 0.00 0.05 0.00 0.00 54.13 54.39 2k8h s LEU 70 Cb -0.19 -0.57 -0.00 0.00 -2.05 0.00 0.00 46.19 43.38 2k8h s LEU 70 CO 0.20 0.07 -0.20 0.72 -0.55 0.00 0.00 176.35 176.59 2k8h s PHE 71 N 0.19 2.67 -1.45 3.48 -0.71 -0.21 -1.30 117.98 120.63 2k8h s PHE 71 Ca -0.03 -0.94 0.00 0.00 -1.04 0.00 0.00 56.93 54.92 2k8h s PHE 71 Cb -0.09 -1.78 0.00 0.00 -1.21 0.00 0.00 43.02 39.95 2k8h s PHE 71 CO 0.01 -0.37 0.00 -3.47 -1.34 0.00 0.00 175.22 170.04 2k8h n ASP 72 N 3.61 -5.30 0.00 1.98 -0.08 -1.26 -1.12 116.55 114.37 2k8h n ASP 72 Ca -0.19 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.43 2k8h n ASP 72 Cb 0.53 -4.01 0.00 0.00 2.34 0.00 0.00 41.12 39.98 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 -0.43 0.83 3.15 0.27 0.00 -1.26 -5.06 105.19 102.68 2k8h n GLY 73 Ca -0.14 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2k8h n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k8h s THR 74 N -2.00 2.56 -0.50 2.61 -4.23 -0.28 -5.07 115.64 108.72 2k8h s THR 74 Ca 0.00 -1.21 -0.27 0.00 -1.18 0.00 0.00 61.69 59.03 2k8h s THR 74 Cb 0.00 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 2k8h s THR 74 CO 0.00 0.17 1.80 -2.16 -0.54 0.00 0.00 174.62 173.88 2k8h s PRO 75 N 1.25 2.94 -0.14 3.99 0.04 -1.26 -1.05 135.00 140.77 2k8h s PRO 75 Ca -0.02 0.90 -0.10 0.00 0.04 0.00 0.00 61.00 61.81 2k8h s PRO 75 Cb -0.17 -4.29 0.05 0.00 0.04 0.00 0.00 34.50 30.12 2k8h s PRO 75 CO -0.06 -2.35 0.36 0.42 0.04 0.00 0.00 177.00 175.42 2k8h s ILE 76 N 8.04 -0.02 -0.48 0.56 1.01 -0.22 -4.97 121.20 125.13 2k8h s ILE 76 Ca 0.70 0.06 0.04 0.00 0.00 0.00 0.00 60.65 61.45 2k8h s ILE 76 Cb -0.16 -0.53 0.13 0.00 0.01 0.00 0.00 42.46 41.91 2k8h s ILE 76 CO 0.26 0.02 0.22 1.51 0.00 0.00 0.00 174.94 176.95 2k8h s ASP 77 N 0.80 4.30 -0.17 3.58 1.47 -1.26 -4.45 116.67 120.93 2k8h s ASP 77 Ca -0.05 -2.80 -0.35 0.00 1.18 0.00 0.00 52.55 50.53 2k8h s ASP 77 Cb -0.06 -1.55 0.15 0.00 -0.34 0.00 0.00 42.92 41.12 2k8h s ASP 77 CO -0.06 -0.26 1.40 -1.61 0.68 0.00 0.00 175.17 175.32 2k8h s GLU 78 N 0.01 0.06 -0.16 2.11 2.02 -1.26 -5.02 118.70 116.46 2k8h s GLU 78 Ca 0.16 -0.03 0.16 0.00 0.02 0.00 0.00 54.97 55.28 2k8h s GLU 78 Cb -0.25 0.02 0.61 0.00 0.10 0.00 0.00 34.13 34.62 2k8h s GLU 78 CO -0.02 -0.03 1.52 -2.37 0.02 0.00 0.00 175.26 174.38 2k8h n THR 79 N -0.29 2.20 0.00 3.63 5.66 -1.26 -4.39 114.28 119.83 2k8h n THR 79 Ca -0.03 -1.56 0.00 0.00 -3.05 0.00 0.00 64.05 59.41 2k8h n THR 79 Cb 0.61 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 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 0.14 0.34 0.38 1.09 4.01 -1.26 -4.37 118.16 118.49 2k8h n LYS 80 Ca 0.23 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.87 2k8h n LYS 80 Cb 0.92 -1.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.37 2k8h n LYS 80 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 2k8h h THR 81 N 0.00 0.00 0.00 -0.18 1.35 -1.97 -1.33 112.91 110.78 2k8h h THR 81 Ca 0.00 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.65 2k8h h THR 81 Cb 1.00 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2k8h h THR 81 CO 0.00 0.00 -0.01 1.55 -0.25 0.00 0.00 175.52 176.81 2k8h h PRO 82 N -1.19 0.00 -0.00 4.72 0.13 -1.88 -0.90 132.00 132.88 2k8h h PRO 82 Ca -0.10 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 2k8h h PRO 82 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2k8h h PRO 82 CO 0.17 0.01 -0.07 1.49 -0.23 0.00 0.00 178.00 179.37 2k8h h GLU 83 N 0.00 0.05 -0.02 0.86 4.81 -1.75 0.02 114.58 118.56 2k8h h GLU 83 Ca -0.00 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 2k8h h GLU 83 Cb 0.50 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2k8h h GLU 83 CO 0.00 0.81 -0.85 1.05 -0.73 0.00 0.00 179.01 179.29 2k8h h GLU 84 N -0.69 0.30 0.01 1.92 -0.00 -1.20 0.26 114.58 115.17 2k8h h GLU 84 Ca -0.01 -0.30 -0.21 0.00 -0.00 0.00 0.00 59.36 58.84 2k8h h GLU 84 Cb 0.84 0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.66 2k8h h GLU 84 CO 0.01 0.99 -0.92 1.25 -0.00 0.00 0.00 179.01 180.35 2k8h h LEU 85 N 0.18 0.37 0.00 3.06 5.85 -1.27 -3.38 115.31 120.12 2k8h h LEU 85 Ca -0.05 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2k8h h LEU 85 Cb 1.46 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2k8h h LEU 85 CO 0.14 1.11 -0.46 0.61 -0.34 0.00 0.00 178.44 179.49 2k8h n GLY 86 N 0.93 -0.91 3.20 3.75 0.00 -0.01 -5.00 105.19 107.15 2k8h n GLY 86 Ca -0.05 -0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.39 -6.46 -4.05 1.61 2.81 0.91 -5.01 117.12 102.54 2k8h n MET 87 Ca -0.07 0.68 -0.08 0.00 -1.81 0.00 0.00 57.70 56.42 2k8h n MET 87 Cb 0.24 -5.27 -0.09 0.00 -0.71 0.00 0.00 33.22 27.39 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 -6.00 0.78 -0.07 0.03 2.56 -1.26 -4.81 118.70 109.92 2k8h s GLU 88 Ca 0.44 -1.22 0.07 0.00 0.00 0.00 0.00 54.97 54.26 2k8h s GLU 88 Cb -0.20 0.26 0.34 0.00 2.00 0.00 0.00 34.13 36.53 2k8h s GLU 88 CO 0.60 -0.20 1.11 -0.40 -0.56 0.00 0.00 175.26 175.80 2k8h n ASP 89 N -0.00 2.71 -2.23 -1.70 5.68 -1.26 -4.00 116.55 115.75 2k8h n ASP 89 Ca -0.11 -2.29 -0.23 0.00 -0.50 0.00 0.00 54.79 51.66 2k8h n ASP 89 Cb 0.62 -0.48 0.02 0.00 -1.14 0.00 0.00 41.12 40.14 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 0.33 4.52 -4.61 -1.12 9.92 -1.21 -1.00 116.55 123.38 2k8h n ASP 90 Ca 0.12 -3.59 -0.43 0.00 -0.53 0.00 0.00 54.79 50.36 2k8h n ASP 90 Cb 0.56 -0.39 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 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 6.36 0.15 -2.24 2.15 -0.59 -4.91 116.67 114.01 2k8h s ASP 91 Ca 0.48 1.07 0.06 0.00 0.43 0.00 0.00 52.55 54.58 2k8h s ASP 91 Cb 0.40 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 2k8h s ASP 91 CO -0.03 -1.37 0.07 0.68 -0.17 0.00 0.00 175.17 174.35 2k8h s VAL 92 N 5.36 4.18 -0.18 1.11 -7.23 -1.26 -1.19 120.40 121.19 2k8h s VAL 92 Ca 0.64 -1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 59.58 2k8h s VAL 92 Cb -0.17 -3.10 0.09 0.00 0.56 0.00 0.00 36.38 33.76 2k8h s VAL 92 CO 0.30 -0.07 0.36 0.27 -0.31 0.00 0.00 175.10 175.65 2k8h s ILE 93 N -1.68 -0.57 -0.36 -0.62 -4.36 -0.55 -4.33 121.20 108.74 2k8h s ILE 93 Ca 0.29 0.16 -0.14 0.00 -0.26 0.00 0.00 60.65 60.70 2k8h s ILE 93 Cb -0.10 -0.62 -0.01 0.00 1.25 0.00 0.00 42.46 42.98 2k8h s ILE 93 CO 0.21 0.05 0.31 -0.62 0.24 0.00 0.00 174.94 175.13 2k8h s ASP 94 N 2.54 6.12 -0.10 4.36 -1.08 -0.42 -1.43 116.67 126.67 2k8h s ASP 94 Ca 0.01 -0.46 -0.30 0.00 -0.52 0.00 0.00 52.55 51.28 2k8h s ASP 94 Cb -0.13 -2.17 -0.03 0.00 -1.46 0.00 0.00 42.92 39.14 2k8h s ASP 94 CO -0.12 -0.33 1.26 0.00 0.52 0.00 0.00 175.17 176.50 2k8h s ALA 95 N 1.84 3.58 0.14 3.66 0.00 -0.44 -2.31 121.76 128.24 2k8h s ALA 95 Ca 0.08 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.71 2k8h s ALA 95 Cb -0.17 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 2k8h s ALA 95 CO 0.11 -0.97 -0.18 1.41 0.00 0.00 0.00 175.76 176.13 2k8h s MET 96 N 2.82 1.20 -0.66 0.00 1.75 -0.47 -4.29 119.30 119.65 2k8h s MET 96 Ca 0.57 -1.33 -0.27 0.00 -1.25 0.00 0.00 55.69 53.41 2k8h s MET 96 Cb -0.24 -1.26 0.03 0.00 2.84 0.00 0.00 34.83 36.20 2k8h s MET 96 CO 0.20 0.26 1.21 0.08 -0.65 0.00 0.00 175.02 176.11 2k8h s VAL 97 N -1.90 3.91 0.07 10.11 1.01 -1.26 -1.47 120.40 130.86 2k8h s VAL 97 Ca 0.13 0.55 -0.31 0.00 0.00 0.00 0.00 61.98 62.35 2k8h s VAL 97 Cb -0.06 -4.81 -0.06 0.00 0.00 0.00 0.00 36.38 31.44 2k8h s VAL 97 CO 0.05 -1.59 1.27 -0.70 0.00 0.00 0.00 175.10 174.13 2k8h s GLU 98 N 5.24 4.39 -0.03 2.72 -6.30 -1.26 -5.00 118.70 118.45 2k8h s GLU 98 Ca 0.37 1.87 -0.18 0.00 -2.50 0.00 0.00 54.97 54.53 2k8h s GLU 98 Cb -0.09 -3.34 -0.05 0.00 0.00 0.00 0.00 34.13 30.66 2k8h s GLU 98 CO 0.19 -0.34 0.49 -0.65 0.02 0.00 0.00 175.26 174.98 2k8h s GLN 99 N 1.19 4.18 0.09 4.30 -0.21 -1.26 -5.00 119.66 122.96 2k8h s GLN 99 Ca 0.61 0.54 0.02 0.00 0.02 0.00 0.00 55.36 56.54 2k8h s GLN 99 Cb -0.32 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.33 2k8h s GLN 99 CO 0.29 0.44 -0.08 -0.08 -2.12 0.00 0.00 175.29 173.74 2k8h s THR 100 N -0.33 0.75 0.00 -0.19 -1.32 -1.26 -5.02 115.64 108.27 2k8h s THR 100 Ca 0.27 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 2k8h s THR 100 Cb -0.17 -1.49 0.00 0.00 -1.51 0.00 0.00 72.50 69.33 2k8h s THR 100 CO 0.14 -0.74 0.00 0.61 -2.21 0.00 0.00 174.62 172.42 2k8h n GLY 101 N 0.26 0.25 0.00 6.08 0.00 -1.26 -5.35 105.19 105.17 2k8h n GLY 101 Ca -0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2k8h n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93