#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dud n SER 13 N 0.00 0.00 0.00 0.55 3.41 -1.26 -5.14 113.62 111.19 2dud n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2dud n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2dud n SER 13 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2dud n LEU 14 N 0.00 0.00 -3.74 1.04 -0.00 -1.26 -5.07 117.00 107.96 2dud n LEU 14 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 2dud n LEU 14 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2dud n LEU 14 CO 0.00 0.00 -0.27 0.21 -0.00 0.00 0.00 177.39 177.33 2dud s ASN 15 N 0.00 3.82 -0.00 1.96 2.47 -1.26 -5.11 114.94 116.82 2dud s ASN 15 Ca 0.00 -2.39 0.03 0.00 0.42 0.00 0.00 52.86 50.92 2dud s ASN 15 Cb 0.00 -1.05 -0.01 0.00 -1.45 0.00 0.00 41.25 38.74 2dud s ASN 15 CO 0.00 -0.31 -0.09 -0.60 -3.72 0.00 0.00 177.10 172.38 2dud s ARG 16 N 0.64 0.74 0.01 0.43 6.06 -1.26 -4.14 118.95 121.43 2dud s ARG 16 Ca 0.15 -0.38 0.03 0.00 -2.50 0.00 0.00 55.73 53.03 2dud s ARG 16 Cb -0.23 -0.70 -0.01 0.00 0.06 0.00 0.00 34.95 34.07 2dud s ARG 16 CO -0.05 0.19 -0.09 0.08 -2.50 0.00 0.00 175.30 172.92 2dud s VAL 17 N -0.32 0.70 -0.06 7.11 1.01 0.28 -4.91 120.40 124.21 2dud s VAL 17 Ca 0.03 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2dud s VAL 17 Cb -0.04 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.73 2dud s VAL 17 CO -0.00 0.06 -0.11 -1.00 0.00 0.00 0.00 175.10 174.05 2dud s HIS 18 N -0.49 1.31 0.04 5.22 0.09 -1.26 -1.25 115.29 118.96 2dud s HIS 18 Ca 0.01 -0.46 0.01 0.00 -0.00 0.00 0.00 55.06 54.62 2dud s HIS 18 Cb -0.05 -0.98 -0.02 0.00 -0.00 0.00 0.00 32.58 31.52 2dud s HIS 18 CO 0.00 -0.25 -0.06 -0.51 -0.00 0.00 0.00 174.74 173.92 2dud s LEU 19 N 0.68 2.28 -0.20 0.89 1.02 -1.08 -5.02 118.68 117.24 2dud s LEU 19 Ca -0.14 -0.58 -0.09 0.00 0.02 0.00 0.00 54.13 53.33 2dud s LEU 19 Cb -0.15 -0.07 0.08 0.00 0.02 0.00 0.00 46.19 46.07 2dud s LEU 19 CO 0.03 -0.27 0.47 -0.22 0.02 0.00 0.00 176.35 176.38 2dud s LEU 20 N -1.70 -0.45 0.00 1.79 0.20 -1.26 -1.27 118.68 115.99 2dud s LEU 20 Ca -0.10 1.05 -0.27 0.00 0.69 0.00 0.00 54.13 55.50 2dud s LEU 20 Cb -0.08 1.55 0.09 0.00 -0.43 0.00 0.00 46.19 47.31 2dud s LEU 20 CO -0.01 -0.21 1.23 0.61 -0.29 0.00 0.00 176.35 177.67 2dud n GLY 21 N 4.71 0.25 3.75 7.98 0.00 -0.82 -4.83 105.19 116.22 2dud n GLY 21 Ca -0.17 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 2dud n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dud s ARG 22 N -2.02 3.40 0.20 1.61 1.81 -1.08 -1.32 118.95 121.57 2dud s ARG 22 Ca 0.29 -0.28 -0.30 0.00 -1.72 0.00 0.00 55.73 53.72 2dud s ARG 22 Cb -0.01 -3.05 -0.08 0.00 -0.45 0.00 0.00 34.95 31.36 2dud s ARG 22 CO -0.00 0.63 0.96 0.08 -0.68 0.00 0.00 175.30 176.29 2dud s VAL 23 N -0.65 4.17 -0.09 3.52 1.01 -0.56 -1.07 120.40 126.73 2dud s VAL 23 Ca 0.12 2.05 -0.19 0.00 0.00 0.00 0.00 61.98 63.96 2dud s VAL 23 Cb -0.12 -4.31 -0.28 0.00 0.00 0.00 0.00 36.38 31.67 2dud s VAL 23 CO 0.02 0.44 0.67 1.23 0.00 0.00 0.00 175.10 177.46 2dud h GLY 24 N 4.57 0.27 -4.46 4.51 0.00 -1.83 -1.60 103.07 104.53 2dud h GLY 24 Ca -0.44 -0.70 -0.15 0.00 0.00 0.00 0.00 47.33 46.04 2dud h GLY 24 CO 0.69 0.61 -0.62 1.62 0.00 0.00 0.00 176.54 178.84 2dud s GLN 25 N -2.44 0.45 0.26 4.80 -0.44 -1.26 -4.66 119.66 116.36 2dud s GLN 25 Ca -0.18 -0.69 -0.21 0.00 -2.50 0.00 0.00 55.36 51.78 2dud s GLN 25 Cb 0.03 0.17 -0.14 0.00 -1.64 0.00 0.00 33.01 31.43 2dud s GLN 25 CO 0.78 -0.09 0.26 -0.25 0.50 0.00 0.00 175.29 176.48 2dud n ASP 26 N 1.16 -1.76 -4.78 6.67 8.00 -1.26 -4.39 116.55 120.20 2dud n ASP 26 Ca -0.21 0.83 -0.25 0.00 0.71 0.00 0.00 54.79 55.87 2dud n ASP 26 Cb 0.57 -0.78 0.09 0.00 -0.02 0.00 0.00 41.12 40.97 2dud n ASP 26 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2dud s PRO 27 N -0.86 1.95 -0.02 -0.24 0.04 -1.26 -4.90 135.00 129.71 2dud s PRO 27 Ca 0.53 -0.64 -0.05 0.00 0.04 0.00 0.00 61.00 60.88 2dud s PRO 27 Cb -0.67 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 31.62 2dud s PRO 27 CO 0.51 -1.32 0.11 0.08 0.04 0.00 0.00 177.00 176.43 2dud s VAL 28 N -3.18 0.04 0.16 -0.36 1.01 -1.01 -4.97 120.40 112.08 2dud s VAL 28 Ca 0.63 -0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.37 2dud s VAL 28 Cb -0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2dud s VAL 28 CO 0.44 -0.19 -0.24 -0.22 0.00 0.00 0.00 175.10 174.89 2dud s LEU 29 N -0.61 2.38 0.17 3.92 2.96 -1.26 -0.90 118.68 125.33 2dud s LEU 29 Ca -0.07 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.04 2dud s LEU 29 Cb -0.04 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.54 2dud s LEU 29 CO 0.01 0.11 0.00 0.54 -1.32 0.00 0.00 176.35 175.69 2dud n ARG 30 N 0.60 0.00 0.00 1.98 1.74 -0.81 -4.95 116.66 115.22 2dud n ARG 30 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2dud n ARG 30 Cb 0.55 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 2dud n ARG 30 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2dud n ASN 36 N -2.84 0.00 -4.59 0.55 0.23 -1.26 -3.27 115.26 104.08 2dud n ASN 36 Ca 0.00 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.75 2dud n ASN 36 Cb 0.00 0.00 0.21 0.00 -2.08 0.00 0.00 39.78 37.91 2dud n ASN 36 CO 0.00 0.00 0.00 -2.84 -0.93 0.00 0.00 177.26 173.49 2dud s PRO 37 N 0.00 0.07 -0.00 -0.53 0.02 -1.26 -5.02 135.00 128.27 2dud s PRO 37 Ca 0.00 1.12 -0.18 0.00 0.02 0.00 0.00 61.00 61.97 2dud s PRO 37 Cb 0.00 -1.65 0.03 0.00 0.02 0.00 0.00 34.50 32.90 2dud s PRO 37 CO 0.00 -3.14 0.38 0.14 -0.33 0.00 0.00 177.00 174.05 2dud s VAL 38 N -2.58 0.05 -0.06 3.83 -7.23 -1.20 -4.84 120.40 108.37 2dud s VAL 38 Ca 0.67 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 60.45 2dud s VAL 38 Cb -0.23 -0.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 2dud s VAL 38 CO 0.61 -0.23 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.14 2dud s THR 39 N -1.61 3.12 -0.09 5.32 2.01 -1.13 -1.93 115.64 121.34 2dud s THR 39 Ca -0.11 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 2dud s THR 39 Cb -0.03 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.28 2dud s THR 39 CO 0.03 0.59 0.04 -0.63 -0.69 0.00 0.00 174.62 173.96 2dud s ILE 40 N -0.68 0.18 0.20 1.82 1.01 -0.08 -0.97 121.20 122.68 2dud s ILE 40 Ca 0.10 0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.89 2dud s ILE 40 Cb -0.11 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 2dud s ILE 40 CO 0.01 0.11 0.10 2.22 0.00 0.00 0.00 174.94 177.39 2dud n PHE 41 N 5.20 -0.11 -4.53 3.97 -1.74 -0.34 -2.41 117.46 117.50 2dud n PHE 41 Ca -0.06 -1.44 -0.23 0.00 -0.56 0.00 0.00 57.45 55.16 2dud n PHE 41 Cb 0.50 0.05 -0.14 0.00 1.52 0.00 0.00 39.48 41.41 2dud n PHE 41 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2dud s SER 42 N -2.31 2.07 -0.02 5.98 1.04 -1.26 -1.31 113.70 117.89 2dud s SER 42 Ca 0.15 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.18 2dud s SER 42 Cb 0.01 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 2dud s SER 42 CO 0.10 0.11 -0.25 -0.76 0.98 0.00 0.00 173.24 173.42 2dud s LEU 43 N -1.08 2.08 -0.03 2.42 1.43 -0.16 -2.40 118.68 120.95 2dud s LEU 43 Ca 0.05 -0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 52.63 2dud s LEU 43 Cb -0.08 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2dud s LEU 43 CO 0.01 0.32 0.21 0.00 0.23 0.00 0.00 176.35 177.12 2dud s ALA 44 N -0.59 3.89 -0.06 4.21 0.00 -0.23 0.12 121.76 129.09 2dud s ALA 44 Ca 0.09 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.42 2dud s ALA 44 Cb -0.10 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.05 2dud s ALA 44 CO -0.01 0.67 -0.07 0.99 0.00 0.00 0.00 175.76 177.35 2dud s THR 45 N -1.23 0.77 -0.09 0.00 2.01 0.16 -2.62 115.64 114.62 2dud s THR 45 Ca 0.24 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2dud s THR 45 Cb -0.13 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.60 2dud s THR 45 CO 0.14 0.28 -0.14 0.20 -0.69 0.00 0.00 174.62 174.41 2dud s ASN 46 N 0.98 3.98 -0.20 3.53 -0.87 -1.26 -0.14 114.94 120.96 2dud s ASN 46 Ca -0.10 -0.28 -0.03 0.00 -1.57 0.00 0.00 52.86 50.89 2dud s ASN 46 Cb -0.14 -1.27 -0.00 0.00 -0.02 0.00 0.00 41.25 39.81 2dud s ASN 46 CO 0.00 0.24 -0.08 -0.70 -2.57 0.00 0.00 177.10 173.99 2dud s GLU 47 N -0.12 3.31 0.01 -0.60 2.12 0.90 -4.94 118.70 119.38 2dud s GLU 47 Ca -0.01 -0.67 0.08 0.00 0.36 0.00 0.00 54.97 54.73 2dud s GLU 47 Cb -0.14 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 2dud s GLU 47 CO 0.04 -0.15 -0.26 -1.64 -0.54 0.00 0.00 175.26 172.71 2dud s MET 48 N 1.31 1.98 0.00 4.30 -1.94 -1.26 -1.05 119.30 122.63 2dud s MET 48 Ca 0.04 -1.01 0.00 0.00 -1.71 0.00 0.00 55.69 53.01 2dud s MET 48 Cb -0.14 -2.02 0.00 0.00 2.01 0.00 0.00 34.83 34.67 2dud s MET 48 CO -0.04 0.54 0.91 -2.67 -0.01 0.00 0.00 175.02 173.75 2dud n TRP 49 N 2.12 0.00 -4.10 -0.03 2.14 -1.26 -5.00 117.44 111.30 2dud n TRP 49 Ca -0.16 -0.43 -0.35 0.00 2.07 0.00 0.00 57.50 58.63 2dud n TRP 49 Cb 0.51 0.47 -0.13 0.00 -0.81 0.00 0.00 31.31 31.35 2dud n TRP 49 CO 0.00 0.00 0.00 0.54 2.07 0.00 0.00 177.69 180.30 2dud s VAL 62 N 0.00 3.88 0.24 -1.67 0.11 -1.26 -4.86 120.40 116.85 2dud s VAL 62 Ca 0.00 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 58.76 2dud s VAL 62 Cb 0.00 -2.75 -0.03 0.00 -1.53 0.00 0.00 36.38 32.07 2dud s VAL 62 CO 0.00 0.43 0.36 -0.44 -3.33 0.00 0.00 175.10 172.13 2dud s SER 63 N 0.97 6.32 0.01 3.54 0.01 -1.26 -5.13 113.70 118.16 2dud s SER 63 Ca 0.01 0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.33 2dud s SER 63 Cb -0.14 -1.86 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 2dud s SER 63 CO 0.02 -0.07 0.01 -1.58 0.41 0.00 0.00 173.24 172.02 2dud s GLN 64 N -3.98 0.31 -0.13 12.44 0.74 -1.26 -4.40 119.66 123.37 2dud s GLN 64 Ca 0.34 -0.49 -0.06 0.00 0.05 0.00 0.00 55.36 55.20 2dud s GLN 64 Cb -0.09 0.12 0.06 0.00 1.10 0.00 0.00 33.01 34.20 2dud s GLN 64 CO 0.29 -0.06 0.30 0.21 -0.55 0.00 0.00 175.29 175.49 2dud s LYS 65 N -1.26 0.24 -0.10 1.67 2.20 -0.22 -4.95 119.74 117.32 2dud s LYS 65 Ca -0.14 0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 56.16 2dud s LYS 65 Cb -0.08 -0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 2dud s LYS 65 CO -0.00 -0.20 -0.04 -0.08 -0.36 0.00 0.00 175.35 174.67 2dud s THR 66 N 1.73 3.96 -0.11 3.43 -1.32 -1.26 -0.07 115.64 121.99 2dud s THR 66 Ca -0.06 -0.37 0.02 0.00 -1.21 0.00 0.00 61.69 60.07 2dud s THR 66 Cb -0.11 -2.66 0.01 0.00 -1.51 0.00 0.00 72.50 68.23 2dud s THR 66 CO -0.10 0.57 -0.17 -0.89 -2.21 0.00 0.00 174.62 171.82 2dud s THR 67 N -0.52 1.64 -0.27 5.08 2.01 0.80 -4.91 115.64 119.46 2dud s THR 67 Ca 0.08 -0.73 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 2dud s THR 67 Cb -0.12 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 2dud s THR 67 CO 0.02 0.47 0.18 0.26 -0.69 0.00 0.00 174.62 174.85 2dud s TRP 68 N 0.91 3.21 -0.05 4.92 0.52 -1.26 -0.67 118.94 126.53 2dud s TRP 68 Ca -0.07 0.07 -0.01 0.00 0.02 0.00 0.00 56.10 56.11 2dud s TRP 68 Cb -0.15 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.78 2dud s TRP 68 CO -0.01 -0.16 0.01 -1.01 0.02 0.00 0.00 176.95 175.80 2dud s HIS 69 N 1.69 3.15 -0.52 -1.98 3.76 0.31 -4.97 115.29 116.74 2dud s HIS 69 Ca 0.07 0.16 -0.20 0.00 -0.15 0.00 0.00 55.06 54.94 2dud s HIS 69 Cb -0.16 -1.75 0.06 0.00 1.11 0.00 0.00 32.58 31.84 2dud s HIS 69 CO 0.10 0.48 0.70 0.50 -0.85 0.00 0.00 174.74 175.67 2dud s ARG 70 N -1.18 3.16 -0.07 1.40 3.52 -1.26 -0.99 118.95 123.53 2dud s ARG 70 Ca 0.16 -0.78 -0.14 0.00 -0.13 0.00 0.00 55.73 54.83 2dud s ARG 70 Cb -0.11 -4.10 -0.05 0.00 -1.56 0.00 0.00 34.95 29.13 2dud s ARG 70 CO 0.06 -1.30 0.37 0.42 -0.81 0.00 0.00 175.30 174.03 2dud s ILE 71 N 2.93 5.17 -0.02 4.11 -1.09 -0.43 0.13 121.20 131.99 2dud s ILE 71 Ca 0.18 0.73 -0.00 0.00 -2.23 0.00 0.00 60.65 59.33 2dud s ILE 71 Cb -0.18 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.05 2dud s ILE 71 CO 0.13 0.50 0.03 -0.94 -1.23 0.00 0.00 174.94 173.43 2dud s SER 72 N -0.42 0.27 -0.19 3.58 1.04 -0.38 -1.19 113.70 116.40 2dud s SER 72 Ca 0.22 0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.62 2dud s SER 72 Cb -0.15 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 2dud s SER 72 CO 0.10 -0.15 0.06 -0.69 0.98 0.00 0.00 173.24 173.53 2dud s VAL 73 N 1.26 4.62 0.00 5.02 1.01 -0.14 -2.05 120.40 130.11 2dud s VAL 73 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.82 2dud s VAL 73 Cb -0.13 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2dud s VAL 73 CO -0.03 0.44 0.00 0.49 0.00 0.00 0.00 175.10 176.00 2dud n PHE 74 N 3.81 0.00 0.00 5.22 3.72 -1.26 -2.85 117.46 126.10 2dud n PHE 74 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 2dud n PHE 74 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 2dud n PHE 74 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2dud n ARG 75 N -2.37 0.00 0.13 -1.08 1.74 -1.26 -4.46 116.66 109.36 2dud n ARG 75 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 2dud n ARG 75 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 2dud n ARG 75 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2dud h PRO 76 N 0.00 0.49 0.15 5.56 0.11 -1.98 -1.60 132.00 134.72 2dud h PRO 76 Ca 0.00 -0.84 -0.01 0.00 0.11 0.00 0.00 66.00 65.27 2dud h PRO 76 Cb 0.00 0.31 0.00 0.00 0.11 0.00 0.00 31.00 31.42 2dud h PRO 76 CO 0.00 1.40 -0.07 0.78 -0.21 0.00 0.00 178.00 179.90 2dud h GLY 77 N 0.44 -0.21 -0.71 -0.55 0.00 -2.03 -3.32 103.07 96.69 2dud h GLY 77 Ca -0.25 0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.28 2dud h GLY 77 CO 0.26 -0.08 -0.38 -2.00 0.00 0.00 0.00 176.54 174.34 2dud h LEU 78 N -0.74 -1.38 -0.96 3.11 6.46 -1.92 0.02 115.31 119.90 2dud h LEU 78 Ca -0.02 0.27 0.39 0.00 -0.12 0.00 0.00 57.88 58.40 2dud h LEU 78 Cb 0.52 0.69 -0.17 0.00 -0.73 0.00 0.00 40.66 40.97 2dud h LEU 78 CO 0.03 -0.30 0.48 -1.14 -0.62 0.00 0.00 178.44 176.90 2dud n ARG 79 N -5.44 -0.06 -0.10 1.25 0.00 -0.60 0.18 116.66 111.88 2dud n ARG 79 Ca 0.06 1.33 -0.11 0.00 -0.00 0.00 0.00 57.85 59.14 2dud n ARG 79 Cb 0.37 -2.37 -0.15 0.00 0.00 0.00 0.00 32.46 30.31 2dud n ARG 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2dud n ASP 80 N -5.19 0.41 -0.18 6.15 8.00 -0.11 -2.43 116.55 123.21 2dud n ASP 80 Ca 0.35 -0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.83 2dud n ASP 80 Cb 1.20 0.82 0.08 0.00 -0.02 0.00 0.00 41.12 43.20 2dud n ASP 80 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dud h VAL 81 N 0.00 0.62 -0.39 2.53 2.07 -1.08 0.63 116.25 120.63 2dud h VAL 81 Ca -0.53 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 2dud h VAL 81 Cb 2.16 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 2dud h VAL 81 CO 0.01 0.03 -0.26 0.00 0.02 0.00 0.00 177.57 177.38 2dud h ALA 82 N 1.46 0.81 -0.27 1.67 0.00 0.18 -0.57 119.26 122.54 2dud h ALA 82 Ca 0.28 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2dud h ALA 82 Cb 0.42 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dud h ALA 82 CO -0.41 0.64 -0.48 -0.92 0.00 0.00 0.00 179.25 178.08 2dud h TYR 83 N 0.69 1.01 0.00 0.00 -0.00 -1.08 -0.46 116.97 117.12 2dud h TYR 83 Ca 0.09 -0.36 0.00 0.00 -0.00 0.00 0.00 58.73 58.46 2dud h TYR 83 Cb 0.79 -0.19 0.00 0.00 -0.00 0.00 0.00 36.73 37.33 2dud h TYR 83 CO 0.04 1.16 0.00 0.37 -0.00 0.00 0.00 178.16 179.74 2dud h GLN 84 N 0.57 0.00 0.00 1.82 -0.00 0.46 -3.36 115.11 114.59 2dud h GLN 84 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 2dud h GLN 84 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.57 2dud h GLN 84 CO 0.11 0.00 -0.82 0.66 0.00 0.00 0.00 178.83 178.78 2dud n TYR 85 N -2.93 0.00 -2.16 3.99 4.01 -0.24 -4.97 117.16 114.86 2dud n TYR 85 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2dud n TYR 85 Cb 0.25 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.25 2dud n TYR 85 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2dud s VAL 86 N -1.82 3.70 0.01 -0.72 1.01 -0.20 -4.98 120.40 117.39 2dud s VAL 86 Ca 0.00 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 62.96 2dud s VAL 86 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2dud s VAL 86 CO 0.00 -0.04 0.00 -0.75 0.00 0.00 0.00 175.10 174.31 2dud s LYS 87 N 3.11 0.18 -0.08 2.72 2.47 -1.26 -4.48 119.74 122.39 2dud s LYS 87 Ca 0.66 -0.29 -0.19 0.00 -1.56 0.00 0.00 55.97 54.60 2dud s LYS 87 Cb -0.31 0.06 -0.09 0.00 -1.46 0.00 0.00 37.83 36.04 2dud s LYS 87 CO 0.26 -0.03 0.55 1.17 0.16 0.00 0.00 175.35 177.46 2dud n LYS 88 N 2.32 0.00 -0.12 4.03 4.81 -1.26 -1.57 118.16 126.37 2dud n LYS 88 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2dud n LYS 88 Cb 0.57 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 34.97 2dud n LYS 88 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2dud n GLY 89 N 1.07 1.85 3.77 3.14 0.00 -0.60 -4.91 105.19 109.51 2dud n GLY 89 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 2dud n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dud s SER 90 N -3.31 7.13 -0.11 1.61 0.01 -0.61 -4.63 113.70 113.79 2dud s SER 90 Ca 0.00 2.14 -0.19 0.00 1.31 0.00 0.00 55.95 59.21 2dud s SER 90 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 2dud s SER 90 CO 0.00 -0.23 0.50 -0.60 0.41 0.00 0.00 173.24 173.32 2dud s ARG 91 N -1.82 4.34 -0.16 12.44 3.52 -1.25 -1.49 118.95 134.53 2dud s ARG 91 Ca 0.49 0.50 -0.14 0.00 -0.13 0.00 0.00 55.73 56.45 2dud s ARG 91 Cb -0.27 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.73 2dud s ARG 91 CO 0.35 0.16 0.42 0.42 -0.81 0.00 0.00 175.30 175.84 2dud s ILE 92 N 0.60 -0.00 -0.07 4.11 -1.09 -0.43 -1.62 121.20 122.70 2dud s ILE 92 Ca 0.27 0.02 -0.06 0.00 -2.23 0.00 0.00 60.65 58.65 2dud s ILE 92 Cb -0.15 -0.59 -0.04 0.00 -1.58 0.00 0.00 42.46 40.09 2dud s ILE 92 CO 0.11 0.01 0.18 -0.47 -1.23 0.00 0.00 174.94 173.54 2dud s TYR 93 N 0.44 3.59 0.38 3.97 5.04 -0.92 -1.95 117.35 127.90 2dud s TYR 93 Ca -0.02 0.50 -0.12 0.00 -2.44 0.00 0.00 57.07 54.99 2dud s TYR 93 Cb -0.04 -1.93 0.04 0.00 0.35 0.00 0.00 41.96 40.39 2dud s TYR 93 CO -0.02 0.69 0.71 -0.48 -1.34 0.00 0.00 175.55 175.12 2dud s LEU 94 N -1.39 0.27 0.06 6.97 0.05 -0.40 -1.17 118.68 123.06 2dud s LEU 94 Ca 0.21 -1.24 -0.14 0.00 0.05 0.00 0.00 54.13 53.00 2dud s LEU 94 Cb -0.13 2.51 0.02 0.00 -2.05 0.00 0.00 46.19 46.54 2dud s LEU 94 CO 0.10 -1.60 0.31 -1.61 -0.55 0.00 0.00 176.35 173.00 2dud s GLU 95 N -2.47 0.86 0.00 1.48 2.02 -1.03 -2.64 118.70 116.92 2dud s GLU 95 Ca 0.19 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2dud s GLU 95 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.56 2dud s GLU 95 CO 0.14 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.54 2dud n GLY 96 N 0.37 -0.68 3.38 -1.39 0.00 -0.38 -1.20 105.19 105.30 2dud n GLY 96 Ca -0.18 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 2dud n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dud s LYS 97 N -0.83 1.44 0.19 1.61 -2.85 0.16 0.99 119.74 120.45 2dud s LYS 97 Ca 0.00 -1.63 -0.30 0.00 -1.00 0.00 0.00 55.97 53.04 2dud s LYS 97 Cb 0.00 -1.36 -0.08 0.00 -2.06 0.00 0.00 37.83 34.33 2dud s LYS 97 CO 0.00 0.24 1.24 0.42 0.10 0.00 0.00 175.35 177.35 2dud s ILE 98 N -2.71 3.44 -0.11 3.79 -1.09 -1.26 -0.92 121.20 122.36 2dud s ILE 98 Ca 0.24 1.20 -0.02 0.00 -2.23 0.00 0.00 60.65 59.84 2dud s ILE 98 Cb -0.03 -3.77 0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2dud s ILE 98 CO 0.09 0.19 0.03 -0.62 -1.23 0.00 0.00 174.94 173.40 2dud s ASP 99 N 0.20 1.89 -0.82 3.58 2.15 0.32 -4.92 116.67 119.07 2dud s ASP 99 Ca 0.54 -0.28 -0.25 0.00 0.43 0.00 0.00 52.55 52.99 2dud s ASP 99 Cb -0.34 -0.39 -0.00 0.00 -0.30 0.00 0.00 42.92 41.89 2dud s ASP 99 CO 0.37 -0.25 1.69 -0.31 -0.17 0.00 0.00 175.17 176.50 2dud s TYR 100 N 2.01 2.01 -0.08 -5.34 2.02 -1.26 0.81 117.35 117.52 2dud s TYR 100 Ca 0.03 0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.66 2dud s TYR 100 Cb -0.14 -4.31 -0.06 0.00 -0.40 0.00 0.00 41.96 37.05 2dud s TYR 100 CO -0.06 -2.01 1.84 0.20 -1.57 0.00 0.00 175.55 173.95 2dud s GLY 101 N 6.57 1.30 -0.19 0.71 0.00 1.84 -4.75 107.32 112.80 2dud s GLY 101 Ca 0.57 0.96 -0.19 0.00 0.00 0.00 0.00 44.72 46.06 2dud s GLY 101 CO 0.06 3.29 0.55 1.85 0.00 0.00 0.00 173.10 178.85 2dud s GLU 102 N 4.64 4.21 0.36 2.90 2.12 -1.26 -1.07 118.70 130.60 2dud s GLU 102 Ca 0.82 0.48 0.05 0.00 0.36 0.00 0.00 54.97 56.68 2dud s GLU 102 Cb -0.35 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 2dud s GLU 102 CO 0.34 -0.14 0.18 1.52 -0.54 0.00 0.00 175.26 176.62 2dud s TYR 103 N 1.61 1.73 0.10 5.30 1.13 -1.14 -4.99 117.35 121.09 2dud s TYR 103 Ca 0.26 -1.42 0.06 0.00 -1.41 0.00 0.00 57.07 54.55 2dud s TYR 103 Cb -0.16 -0.95 -0.03 0.00 -1.10 0.00 0.00 41.96 39.72 2dud s TYR 103 CO 0.10 -0.52 -0.14 -1.64 -2.51 0.00 0.00 175.55 170.84 2dud s MET 104 N -3.66 0.94 0.00 -3.49 -1.94 -1.26 -1.36 119.30 108.53 2dud s MET 104 Ca 0.32 -1.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 2dud s MET 104 Cb 0.03 -0.87 0.00 0.00 2.01 0.00 0.00 34.83 36.00 2dud s MET 104 CO 0.19 0.18 0.00 -0.40 -0.01 0.00 0.00 175.02 174.98 2dud n ASP 105 N 0.83 0.00 -2.73 3.03 3.85 -1.10 -4.81 116.55 115.62 2dud n ASP 105 Ca -0.18 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.90 2dud n ASP 105 Cb 0.56 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.33 2dud n ASP 105 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 2dud n LYS 106 N 0.00 0.00 -2.67 0.11 2.85 -1.26 -4.19 118.16 113.01 2dud n LYS 106 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 2dud n LYS 106 Cb 0.00 -1.02 0.01 0.00 -0.65 0.00 0.00 35.03 33.37 2dud n LYS 106 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2dud n ASN 107 N 2.25 -5.87 -4.29 -5.58 4.13 -1.26 -5.03 115.26 99.62 2dud n ASN 107 Ca 0.00 -0.12 -0.32 0.00 1.68 0.00 0.00 54.58 55.82 2dud n ASN 107 Cb 0.00 -4.83 -0.16 0.00 -1.54 0.00 0.00 39.78 33.25 2dud n ASN 107 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2dud s ASN 108 N -2.32 3.37 -0.08 6.41 2.20 -1.26 -5.08 114.94 118.18 2dud s ASN 108 Ca 0.13 -0.46 -0.30 0.00 -0.94 0.00 0.00 52.86 51.29 2dud s ASN 108 Cb -0.06 -1.25 -0.02 0.00 -2.00 0.00 0.00 41.25 37.92 2dud s ASN 108 CO 0.16 0.20 1.11 0.68 -2.94 0.00 0.00 177.10 176.31 2dud s VAL 109 N 0.11 4.51 0.00 3.54 -7.23 -1.26 -2.71 120.40 117.36 2dud s VAL 109 Ca -0.10 1.81 0.00 0.00 -1.81 0.00 0.00 61.98 61.87 2dud s VAL 109 Cb -0.16 -4.16 0.00 0.00 0.56 0.00 0.00 36.38 32.62 2dud s VAL 109 CO 0.06 -0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.39 2dud n ARG 110 N 5.15 2.45 -3.83 4.82 5.12 -0.46 -5.00 116.66 124.91 2dud n ARG 110 Ca 0.10 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.90 2dud n ARG 110 Cb 0.47 0.00 -0.13 0.00 -1.16 0.00 0.00 32.46 31.64 2dud n ARG 110 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2dud s ARG 111 N 0.25 0.10 -0.16 5.56 1.70 -1.26 -2.88 118.95 122.26 2dud s ARG 111 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.41 2dud s ARG 111 Cb 0.00 0.02 0.03 0.00 -0.57 0.00 0.00 34.95 34.44 2dud s ARG 111 CO 0.00 -0.03 -0.10 -0.65 -1.08 0.00 0.00 175.30 173.44 2dud s GLN 112 N 0.17 1.93 0.07 3.89 -0.21 -0.24 -4.88 119.66 120.40 2dud s GLN 112 Ca -0.01 -0.58 -0.29 0.00 0.02 0.00 0.00 55.36 54.51 2dud s GLN 112 Cb -0.02 -2.08 -0.05 0.00 1.00 0.00 0.00 33.01 31.85 2dud s GLN 112 CO -0.00 -0.33 0.91 0.00 -2.12 0.00 0.00 175.29 173.75 2dud s ALA 113 N 1.53 3.26 0.08 6.09 0.00 -1.26 0.50 121.76 131.96 2dud s ALA 113 Ca 0.02 0.49 0.06 0.00 0.00 0.00 0.00 51.96 52.53 2dud s ALA 113 Cb -0.14 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2dud s ALA 113 CO -0.09 -0.04 -0.16 -0.08 0.00 0.00 0.00 175.76 175.39 2dud s THR 114 N 0.17 1.28 -0.36 0.00 -1.32 0.24 -4.44 115.64 111.21 2dud s THR 114 Ca 0.46 -1.41 -0.10 0.00 -1.21 0.00 0.00 61.69 59.43 2dud s THR 114 Cb -0.22 -1.24 0.03 0.00 -1.51 0.00 0.00 72.50 69.56 2dud s THR 114 CO 0.28 -0.21 0.17 -0.89 -2.21 0.00 0.00 174.62 171.76 2dud s THR 115 N -1.34 4.35 -0.34 5.08 2.01 0.34 -0.52 115.64 125.21 2dud s THR 115 Ca 0.01 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 61.00 2dud s THR 115 Cb -0.09 -3.41 -0.01 0.00 0.01 0.00 0.00 72.50 68.99 2dud s THR 115 CO 0.03 -0.18 0.27 -0.63 -0.69 0.00 0.00 174.62 173.42 2dud s ILE 116 N 1.52 5.26 -0.19 1.82 1.01 -0.09 -1.25 121.20 129.28 2dud s ILE 116 Ca 0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 2dud s ILE 116 Cb -0.19 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 2dud s ILE 116 CO 0.05 -0.05 0.22 -0.51 0.00 0.00 0.00 174.94 174.66 2dud s ILE 117 N 1.79 5.34 -0.21 2.92 2.07 -0.87 0.38 121.20 132.61 2dud s ILE 117 Ca 0.07 0.39 0.22 0.00 -1.41 0.00 0.00 60.65 59.92 2dud s ILE 117 Cb -0.17 -3.56 -0.13 0.00 0.13 0.00 0.00 42.46 38.72 2dud s ILE 117 CO 0.11 0.40 0.85 0.00 -1.91 0.00 0.00 174.94 174.39 2dud n ALA 118 N 3.67 2.73 -3.63 1.50 0.00 -0.34 -4.64 120.51 119.81 2dud n ALA 118 Ca -0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 53.44 52.91 2dud n ALA 118 Cb 0.52 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 2dud n ALA 118 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2dud s ASP 119 N -4.89 -0.12 0.03 0.00 2.15 -1.21 -4.99 116.67 107.64 2dud s ASP 119 Ca -0.02 0.13 -0.03 0.00 0.43 0.00 0.00 52.55 53.05 2dud s ASP 119 Cb 0.12 0.10 -0.02 0.00 -0.30 0.00 0.00 42.92 42.81 2dud s ASP 119 CO 0.83 -0.11 0.04 0.20 -0.17 0.00 0.00 175.17 175.96 2dud s ASN 120 N -1.05 0.25 -0.04 -0.34 0.02 -1.26 -2.47 114.94 110.05 2dud s ASN 120 Ca 0.06 -0.59 0.01 0.00 -1.02 0.00 0.00 52.86 51.32 2dud s ASN 120 Cb -0.01 0.18 0.02 0.00 0.02 0.00 0.00 41.25 41.46 2dud s ASN 120 CO -0.06 -0.45 -0.04 -0.63 0.02 0.00 0.00 177.10 175.93 2dud s ILE 121 N -2.44 0.50 0.19 0.60 1.01 -0.32 -5.00 121.20 115.74 2dud s ILE 121 Ca -0.07 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.30 2dud s ILE 121 Cb -0.02 -0.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.86 2dud s ILE 121 CO -0.04 0.20 0.60 -0.63 0.00 0.00 0.00 174.94 175.08 2dud s ILE 122 N 0.72 4.79 -1.59 2.92 -1.09 -1.26 -2.16 121.20 123.52 2dud s ILE 122 Ca -0.09 0.89 0.13 0.00 -2.23 0.00 0.00 60.65 59.34 2dud s ILE 122 Cb -0.12 -3.73 0.10 0.00 -1.58 0.00 0.00 42.46 37.12 2dud s ILE 122 CO 0.00 0.15 0.90 0.49 -1.23 0.00 0.00 174.94 175.25