#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8r s THR 2 N 0.00 1.12 -0.26 1.55 2.01 -1.26 -4.80 115.64 114.00 1o8r s THR 2 Ca 0.00 -1.26 -0.18 0.00 0.31 0.00 0.00 61.69 60.56 1o8r s THR 2 Cb 0.00 -1.07 -0.03 0.00 0.01 0.00 0.00 72.50 71.42 1o8r s THR 2 CO 0.00 -0.19 0.52 0.54 -0.69 0.00 0.00 174.62 174.79 1o8r s VAL 3 N -1.21 5.07 -0.21 3.82 0.11 -0.07 0.37 120.40 128.27 1o8r s VAL 3 Ca -0.01 0.88 -0.04 0.00 -2.93 0.00 0.00 61.98 59.87 1o8r s VAL 3 Cb -0.10 -3.83 -0.01 0.00 -1.53 0.00 0.00 36.38 30.91 1o8r s VAL 3 CO 0.02 0.08 -0.05 -1.58 -3.33 0.00 0.00 175.10 170.25 1o8r s GLN 4 N 2.31 3.40 0.00 1.54 0.74 -0.24 0.16 119.66 127.58 1o8r s GLN 4 Ca 0.21 -0.62 0.20 0.00 0.05 0.00 0.00 55.36 55.21 1o8r s GLN 4 Cb -0.16 -2.99 0.56 0.00 1.10 0.00 0.00 33.01 31.53 1o8r s GLN 4 CO 0.09 -0.14 1.47 -0.25 -0.55 0.00 0.00 175.29 175.91 1o8r n ASP 5 N 4.63 3.39 0.00 6.67 8.00 -1.25 -4.62 116.55 133.37 1o8r n ASP 5 Ca -0.18 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.33 1o8r n ASP 5 Cb 0.51 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1o8r n ASP 5 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o8r n GLY 6 N 1.51 0.85 0.14 0.44 0.00 -1.26 -4.95 105.19 101.92 1o8r n GLY 6 Ca 0.21 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.45 1o8r n GLY 6 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o8r n ASN 7 N 0.00 0.41 -4.20 1.61 3.02 -1.26 -4.75 115.26 110.09 1o8r n ASN 7 Ca 0.00 -1.52 -0.30 0.00 -0.03 0.00 0.00 54.58 52.73 1o8r n ASN 7 Cb 0.00 -0.03 -0.17 0.00 -0.61 0.00 0.00 39.78 38.98 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1o8r s PHE 8 N -1.95 2.27 -0.06 3.10 0.40 -1.26 -5.11 117.98 115.37 1o8r s PHE 8 Ca 0.28 -0.80 -0.29 0.00 -0.60 0.00 0.00 56.93 55.52 1o8r s PHE 8 Cb 0.13 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 42.13 1o8r s PHE 8 CO 0.22 -0.30 0.96 -1.54 0.70 0.00 0.00 175.22 175.26 1o8r s SER 9 N 0.16 7.26 -0.15 1.36 1.04 -1.26 -3.75 113.70 118.36 1o8r s SER 9 Ca -0.11 1.54 -0.01 0.00 0.48 0.00 0.00 55.95 57.86 1o8r s SER 9 Cb -0.15 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.41 1o8r s SER 9 CO 0.06 -0.34 -0.13 -0.36 0.98 0.00 0.00 173.24 173.45 1o8r s PHE 10 N 1.50 2.83 0.90 5.02 0.08 0.43 -4.93 117.98 123.81 1o8r s PHE 10 Ca 0.49 -0.84 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 1o8r s PHE 10 Cb -0.19 -1.90 0.13 0.00 -0.57 0.00 0.00 43.02 40.49 1o8r s PHE 10 CO 0.22 -0.36 1.10 -1.12 -0.10 0.00 0.00 175.22 174.96 1o8r s SER 11 N 0.70 3.47 0.00 1.36 0.01 -1.26 -0.89 113.70 117.08 1o8r s SER 11 Ca -0.06 1.30 0.23 0.00 1.31 0.00 0.00 55.95 58.73 1o8r s SER 11 Cb -0.15 -1.98 0.05 0.00 0.21 0.00 0.00 66.02 64.15 1o8r s SER 11 CO 0.02 -2.62 1.10 0.18 0.41 0.00 0.00 173.24 172.33 1o8r n LEU 12 N -3.85 1.05 0.08 2.44 4.77 -1.26 -4.44 117.00 115.79 1o8r n LEU 12 Ca 0.06 -0.41 -0.03 0.00 -0.03 0.00 0.00 56.01 55.61 1o8r n LEU 12 Cb 0.56 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1o8r n LEU 12 CO 0.56 0.24 0.41 -0.33 -1.33 0.00 0.00 177.39 176.94 1o8r h GLU 13 N 0.47 -0.21 -0.72 3.23 5.08 -1.94 -1.46 114.58 119.04 1o8r h GLU 13 Ca 0.00 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1o8r h GLU 13 Cb 0.54 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.70 1o8r h GLU 13 CO 0.00 -0.14 -0.21 0.77 -1.00 0.00 0.00 179.01 178.43 1o8r h SER 14 N -0.25 -0.77 -0.26 1.42 0.02 -1.96 -0.07 113.55 111.67 1o8r h SER 14 Ca -0.02 0.22 0.03 0.00 -0.84 0.00 0.00 61.79 61.18 1o8r h SER 14 Cb 0.16 0.48 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1o8r h SER 14 CO 0.04 -0.25 0.08 -0.37 -1.14 0.00 0.00 176.83 175.18 1o8r h VAL 15 N -0.02 0.91 -0.41 2.27 -1.51 -1.77 2.12 116.25 117.84 1o8r h VAL 15 Ca 0.34 -0.06 0.09 0.00 -1.23 0.00 0.00 66.70 65.83 1o8r h VAL 15 Cb 0.54 0.71 -0.09 0.00 -2.13 0.00 0.00 31.29 30.33 1o8r h VAL 15 CO -0.75 0.03 -0.17 0.50 -1.23 0.00 0.00 177.57 175.95 1o8r h LYS 16 N 0.19 -0.09 0.45 5.19 3.64 0.09 -2.30 116.57 123.74 1o8r h LYS 16 Ca 0.12 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1o8r h LYS 16 Cb 0.10 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1o8r h LYS 16 CO -0.13 -0.06 -0.22 0.87 -2.27 0.00 0.00 179.45 177.64 1o8r h LYS 17 N -0.09 -0.58 0.00 1.90 1.57 -0.68 -3.37 116.57 115.32 1o8r h LYS 17 Ca 0.20 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1o8r h LYS 17 Cb 0.40 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1o8r h LYS 17 CO -0.47 -0.28 0.00 -0.11 -0.57 0.00 0.00 179.45 178.02 1o8r n LEU 18 N -5.21 0.00 0.02 2.94 0.00 0.71 0.35 117.00 115.81 1o8r n LEU 18 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.77 1o8r n LEU 18 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.62 1o8r n LEU 18 CO 0.27 0.00 0.53 0.50 0.00 0.00 0.00 177.39 178.69 1o8r h LYS 19 N 0.00 -0.58 -4.16 1.96 3.64 -1.72 -3.30 116.57 112.41 1o8r h LYS 19 Ca 0.00 0.04 -0.72 0.00 -1.27 0.00 0.00 60.65 58.70 1o8r h LYS 19 Cb 0.00 0.13 -0.32 0.00 -0.41 0.00 0.00 32.23 31.63 1o8r h LYS 19 CO 0.00 -0.39 -0.39 0.34 -2.27 0.00 0.00 179.45 176.75 1o8r s ASP 20 N -4.82 5.57 -0.05 4.20 2.15 1.06 -5.04 116.67 119.75 1o8r s ASP 20 Ca -0.16 -2.20 -0.13 0.00 0.43 0.00 0.00 52.55 50.49 1o8r s ASP 20 Cb 0.07 -1.95 -0.05 0.00 -0.30 0.00 0.00 42.92 40.70 1o8r s ASP 20 CO 0.62 -0.58 0.33 -0.22 -0.17 0.00 0.00 175.17 175.15 1o8r s LEU 21 N 0.91 4.42 0.00 -1.34 2.96 -1.23 -4.60 118.68 119.80 1o8r s LEU 21 Ca 0.10 0.78 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1o8r s LEU 21 Cb -0.23 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.03 1o8r s LEU 21 CO -0.03 0.31 0.01 0.00 -1.32 0.00 0.00 176.35 175.33 1o8r n GLN 22 N 2.11 1.56 -0.96 1.98 6.02 -1.26 -5.08 117.38 121.75 1o8r n GLN 22 Ca -0.15 -0.14 -0.35 0.00 -0.01 0.00 0.00 57.00 56.35 1o8r n GLN 22 Cb 0.53 0.02 0.07 0.00 1.02 0.00 0.00 30.24 31.88 1o8r n GLN 22 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1o8r n GLU 23 N -0.46 -0.08 -0.65 -1.09 0.28 -1.26 -4.87 120.64 112.51 1o8r n GLU 23 Ca -0.00 -0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 1o8r n GLU 23 Cb 0.03 -1.40 0.18 0.00 1.43 0.00 0.00 31.44 31.68 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1o8r n PRO 24 N 0.57 -0.76 -2.53 3.44 -0.01 -1.26 -4.43 135.00 130.03 1o8r n PRO 24 Ca 0.03 -0.16 -0.03 0.00 -0.01 0.00 0.00 63.50 63.33 1o8r n PRO 24 Cb 0.54 -2.33 0.00 0.00 -0.01 0.00 0.00 33.50 31.70 1o8r n PRO 24 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 1o8r n GLN 25 N -4.28 -2.34 -1.23 -0.52 7.27 -1.26 -4.56 117.38 110.47 1o8r n GLN 25 Ca 0.10 2.06 -0.29 0.00 0.07 0.00 0.00 57.00 58.95 1o8r n GLN 25 Cb 0.52 -4.69 -0.14 0.00 2.41 0.00 0.00 30.24 28.34 1o8r n GLN 25 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1o8r n GLU 26 N 0.09 0.00 0.25 3.69 4.71 -1.26 -4.68 120.64 123.43 1o8r n GLU 26 Ca 0.05 0.00 0.10 0.00 -0.01 0.00 0.00 57.16 57.30 1o8r n GLU 26 Cb 0.19 -1.10 0.64 0.00 -1.01 0.00 0.00 31.44 30.16 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1o8r h PRO 27 N 9.58 0.00 -6.94 3.49 0.14 -1.84 -3.43 132.00 133.00 1o8r h PRO 27 Ca -0.02 0.00 -0.48 0.00 0.14 0.00 0.00 66.00 65.65 1o8r h PRO 27 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.17 1o8r h PRO 27 CO 1.20 0.16 0.39 1.03 0.14 0.00 0.00 178.00 180.92 1o8r s ARG 28 N -4.23 4.32 -0.01 0.86 0.52 -1.26 -5.06 118.95 114.09 1o8r s ARG 28 Ca -0.03 1.45 0.01 0.00 -0.52 0.00 0.00 55.73 56.64 1o8r s ARG 28 Cb 0.13 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.98 1o8r s ARG 28 CO 0.62 0.01 -0.03 0.54 0.02 0.00 0.00 175.30 176.46 1o8r s VAL 29 N -1.65 0.26 -0.02 3.52 0.11 -1.26 -5.14 120.40 116.22 1o8r s VAL 29 Ca 0.55 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.43 1o8r s VAL 29 Cb -0.21 -0.25 0.02 0.00 -1.53 0.00 0.00 36.38 34.42 1o8r s VAL 29 CO 0.26 0.09 0.30 0.61 -3.33 0.00 0.00 175.10 173.03 1o8r n GLY 30 N 3.21 0.32 3.55 6.54 0.00 -1.26 -5.17 105.19 112.39 1o8r n GLY 30 Ca -0.15 -0.85 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 1o8r n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o8r s LYS 31 N -2.00 1.98 -0.09 1.61 1.02 -1.26 -4.94 119.74 116.06 1o8r s LYS 31 Ca 0.07 -1.51 -0.07 0.00 0.02 0.00 0.00 55.97 54.48 1o8r s LYS 31 Cb -0.00 -2.01 0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1o8r s LYS 31 CO -0.01 0.37 0.13 1.28 -0.92 0.00 0.00 175.35 176.21 1o8r n LEU 32 N -0.51 -5.50 -3.59 3.17 4.32 -1.26 -4.85 117.00 108.78 1o8r n LEU 32 Ca -0.07 2.10 -0.39 0.00 -0.02 0.00 0.00 56.01 57.62 1o8r n LEU 32 Cb 0.58 -2.82 0.01 0.00 -1.62 0.00 0.00 43.42 39.57 1o8r n LEU 32 CO 0.38 -3.41 1.19 0.54 -1.22 0.00 0.00 177.39 174.86 1o8r n ARG 33 N 1.94 4.96 -0.32 3.23 1.74 -1.26 -4.72 116.66 122.21 1o8r n ARG 33 Ca -0.22 -4.68 0.04 0.00 -0.77 0.00 0.00 57.85 52.21 1o8r n ARG 33 Cb 0.35 -2.44 0.17 0.00 -1.02 0.00 0.00 32.46 29.52 1o8r n ARG 33 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1o8r n ASN 34 N 0.13 2.67 -0.86 0.55 3.02 -1.26 -4.07 115.26 115.45 1o8r n ASN 34 Ca 0.42 -2.27 0.03 0.00 -0.03 0.00 0.00 54.58 52.73 1o8r n ASN 34 Cb 0.29 -0.45 0.13 0.00 -0.61 0.00 0.00 39.78 39.14 1o8r n ASN 34 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1o8r n PHE 35 N 0.37 0.63 -1.56 3.10 3.72 -1.26 -4.62 117.46 117.84 1o8r n PHE 35 Ca 0.12 -0.23 -0.39 0.00 -0.05 0.00 0.00 57.45 56.90 1o8r n PHE 35 Cb 0.54 -0.19 0.04 0.00 -0.94 0.00 0.00 39.48 38.93 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o8r n ALA 36 N 0.22 -0.30 -1.00 4.37 0.00 -1.26 -4.98 120.51 117.57 1o8r n ALA 36 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1o8r n ALA 36 Cb 0.49 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1o8r n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1o8r n PRO 37 N -0.36 2.19 -4.79 0.00 -0.02 -1.26 -4.72 135.00 126.05 1o8r n PRO 37 Ca 0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.34 1o8r n PRO 37 Cb 0.45 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.78 1o8r n PRO 37 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1o8r s ILE 38 N 0.00 1.58 0.99 4.25 -1.09 -1.26 -4.83 121.20 120.84 1o8r s ILE 38 Ca 0.00 -1.00 -0.11 0.00 -2.23 0.00 0.00 60.65 57.31 1o8r s ILE 38 Cb 0.00 -1.34 0.19 0.00 -1.58 0.00 0.00 42.46 39.72 1o8r s ILE 38 CO 0.00 0.31 1.10 -2.16 -1.23 0.00 0.00 174.94 172.96 1o8r s PRO 39 N -0.81 0.43 0.00 2.79 0.05 -1.26 -4.11 135.00 132.09 1o8r s PRO 39 Ca 0.07 1.22 0.00 0.00 0.05 0.00 0.00 61.00 62.34 1o8r s PRO 39 Cb -0.08 -1.68 0.00 0.00 0.05 0.00 0.00 34.50 32.79 1o8r s PRO 39 CO 0.00 -2.93 0.00 0.41 0.05 0.00 0.00 177.00 174.54 1o8r n GLY 40 N 0.21 0.75 2.89 0.56 0.00 -1.26 -5.03 105.19 103.32 1o8r n GLY 40 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1o8r n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o8r s GLU 41 N -0.87 2.23 0.38 1.61 0.41 -1.26 -5.08 118.70 116.11 1o8r s GLU 41 Ca 0.00 -3.05 -0.28 0.00 -0.41 0.00 0.00 54.97 51.24 1o8r s GLU 41 Cb 0.00 -3.29 -0.10 0.00 -1.78 0.00 0.00 34.13 28.95 1o8r s GLU 41 CO 0.00 -1.23 1.45 -1.25 -0.49 0.00 0.00 175.26 173.74 1o8r s PRO 42 N -1.00 4.10 -0.42 0.39 0.05 -1.26 -4.97 135.00 131.89 1o8r s PRO 42 Ca 0.22 2.49 0.09 0.00 0.05 0.00 0.00 61.00 63.85 1o8r s PRO 42 Cb -0.12 -2.94 0.30 0.00 0.05 0.00 0.00 34.50 31.79 1o8r s PRO 42 CO -0.11 -0.51 0.79 1.55 0.05 0.00 0.00 177.00 178.77 1o8r n VAL 43 N 0.43 -0.24 -3.09 -0.36 3.14 -1.26 -4.99 118.33 111.96 1o8r n VAL 43 Ca 0.01 -3.18 -0.22 0.00 -2.96 0.00 0.00 64.34 57.99 1o8r n VAL 43 Cb 0.40 0.01 -0.03 0.00 -1.06 0.00 0.00 33.84 33.16 1o8r n VAL 43 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1o8r n VAL 44 N 0.83 1.19 -0.51 1.55 0.31 -1.26 -4.10 118.33 116.33 1o8r n VAL 44 Ca 0.17 -5.00 -0.29 0.00 -0.01 0.00 0.00 64.34 59.21 1o8r n VAL 44 Cb 0.63 -0.75 0.25 0.00 -0.91 0.00 0.00 33.84 33.06 1o8r n VAL 44 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1o8r s PRO 45 N -2.86 -0.83 0.29 5.55 0.04 -1.26 -4.72 135.00 131.22 1o8r s PRO 45 Ca 0.44 0.95 0.05 0.00 0.04 0.00 0.00 61.00 62.47 1o8r s PRO 45 Cb 0.32 -1.56 0.72 0.00 0.04 0.00 0.00 34.50 34.02 1o8r s PRO 45 CO -0.10 -3.70 1.75 0.82 0.04 0.00 0.00 177.00 175.81 1o8r h ILE 46 N -2.61 0.64 -0.68 0.56 2.04 -1.99 0.20 117.51 115.67 1o8r h ILE 46 Ca -0.60 -0.22 -0.28 0.00 1.00 0.00 0.00 64.86 64.77 1o8r h ILE 46 Cb 1.33 -0.05 -0.17 0.00 -0.74 0.00 0.00 36.82 37.19 1o8r h ILE 46 CO 0.49 0.12 0.28 0.18 0.00 0.00 0.00 178.15 179.21 1o8r n LEU 47 N -4.86 5.61 -1.63 1.44 4.77 -1.26 -5.05 117.00 116.02 1o8r n LEU 47 Ca 0.22 -3.45 0.00 0.00 -0.03 0.00 0.00 56.01 52.75 1o8r n LEU 47 Cb 0.59 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1o8r n LEU 47 CO 0.19 0.97 -0.45 0.00 -1.33 0.00 0.00 177.39 176.77 1o8r n SER 49 N -1.51 0.00 -4.63 0.00 2.88 -1.26 -4.63 113.62 104.46 1o8r n SER 49 Ca 0.00 0.45 -0.43 0.00 -1.33 0.00 0.00 58.87 57.56 1o8r n SER 49 Cb 0.16 -0.19 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1o8r n SER 49 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1o8r s ASN 50 N -1.88 6.88 0.00 -3.46 0.02 -1.26 -4.87 114.94 110.37 1o8r s ASN 50 Ca 0.00 0.97 0.06 0.00 -1.02 0.00 0.00 52.86 52.87 1o8r s ASN 50 Cb 0.00 -2.53 0.36 0.00 0.02 0.00 0.00 41.25 39.10 1o8r s ASN 50 CO 0.00 -0.90 0.78 -0.81 0.02 0.00 0.00 177.10 176.19 1o8r n PRO 51 N 6.91 0.23 -1.46 -0.60 -0.05 -1.26 -1.95 135.00 136.82 1o8r n PRO 51 Ca 0.11 0.00 0.02 0.00 -0.05 0.00 0.00 63.50 63.59 1o8r n PRO 51 Cb 0.47 -1.41 0.07 0.00 -0.05 0.00 0.00 33.50 32.59 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1o8r n ASN 52 N -0.91 1.46 -3.28 3.54 3.02 -1.26 -5.04 115.26 112.80 1o8r n ASN 52 Ca 0.05 -2.58 -0.20 0.00 -0.03 0.00 0.00 54.58 51.81 1o8r n ASN 52 Cb 0.02 -0.38 0.15 0.00 -0.61 0.00 0.00 39.78 38.96 1o8r n ASN 52 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1o8r n PHE 53 N -0.11 -3.86 -0.89 3.10 -1.74 -0.83 -4.74 117.46 108.40 1o8r n PHE 53 Ca 0.11 -0.76 -0.28 0.00 -0.56 0.00 0.00 57.45 55.96 1o8r n PHE 53 Cb 0.98 -0.74 -0.10 0.00 1.52 0.00 0.00 39.48 41.15 1o8r n PHE 53 CO 0.00 0.00 0.00 -2.30 -0.56 0.00 0.00 176.76 173.90 1o8r n PRO 54 N -3.26 0.03 -0.46 3.97 -0.01 -1.26 -4.65 135.00 129.35 1o8r n PRO 54 Ca 0.11 -1.02 0.38 0.00 -0.01 0.00 0.00 63.50 62.96 1o8r n PRO 54 Cb 0.40 -2.64 0.67 0.00 -0.01 0.00 0.00 33.50 31.93 1o8r n PRO 54 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1o8r h GLU 55 N 10.05 0.09 0.00 -0.52 4.81 -1.96 2.41 114.58 129.45 1o8r h GLU 55 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1o8r h GLU 55 Cb 0.78 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1o8r h GLU 55 CO 1.51 0.06 0.22 0.93 -0.73 0.00 0.00 179.01 181.00 1o8r h GLU 56 N 0.09 0.00 -0.66 1.92 5.08 -1.95 1.59 114.58 120.65 1o8r h GLU 56 Ca 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.16 1o8r h GLU 56 Cb 2.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.90 1o8r h GLU 56 CO -0.32 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 178.97 1o8r n LEU 57 N -2.53 3.85 -0.37 1.33 4.32 0.81 -4.57 117.00 119.84 1o8r n LEU 57 Ca -0.02 -1.93 0.02 0.00 -0.02 0.00 0.00 56.01 54.07 1o8r n LEU 57 Cb 0.26 -0.48 0.09 0.00 -1.62 0.00 0.00 43.42 41.67 1o8r n LEU 57 CO 0.11 0.84 0.62 0.29 -1.22 0.00 0.00 177.39 178.03 1o8r n LYS 58 N 1.31 -0.16 -0.28 3.23 5.02 0.54 0.98 118.16 128.80 1o8r n LYS 58 Ca 0.23 1.54 0.05 0.00 -2.02 0.00 0.00 58.31 58.11 1o8r n LYS 58 Cb 0.65 -2.29 0.20 0.00 -0.02 0.00 0.00 35.03 33.57 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1o8r h PRO 59 N 0.00 0.62 -0.54 1.97 0.10 -1.81 0.12 132.00 132.46 1o8r h PRO 59 Ca 0.41 -0.04 -0.01 0.00 0.10 0.00 0.00 66.00 66.47 1o8r h PRO 59 Cb 0.66 -0.14 -0.03 0.00 0.10 0.00 0.00 31.00 31.59 1o8r h PRO 59 CO -1.00 0.41 0.31 -0.07 0.10 0.00 0.00 178.00 177.74 1o8r h LEU 60 N 0.64 0.64 -1.39 2.35 4.07 0.28 -0.91 115.31 120.98 1o8r h LEU 60 Ca 0.43 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.29 1o8r h LEU 60 Cb 0.55 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1o8r h LEU 60 CO -0.33 0.50 -0.30 0.00 -1.08 0.00 0.00 178.44 177.23 1o8r n LYS 62 N -4.03 3.29 -5.00 0.00 5.02 -0.45 -4.91 118.16 112.08 1o8r n LYS 62 Ca -0.02 -3.06 -0.32 0.00 -2.02 0.00 0.00 58.31 52.89 1o8r n LYS 62 Cb 0.36 -2.09 -0.14 0.00 -0.02 0.00 0.00 35.03 33.14 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1o8r s GLU 63 N -3.00 2.30 0.43 1.97 8.01 -0.61 -5.00 118.70 122.80 1o8r s GLU 63 Ca 0.51 -0.82 0.13 0.00 0.01 0.00 0.00 54.97 54.81 1o8r s GLU 63 Cb 0.42 -2.24 0.95 0.00 -4.31 0.00 0.00 34.13 28.95 1o8r s GLU 63 CO 0.11 0.59 1.97 -1.00 0.01 0.00 0.00 175.26 176.94 1o8r h PRO 64 N 5.27 0.05 -0.00 0.39 0.14 -1.91 -1.39 132.00 134.55 1o8r h PRO 64 Ca -0.46 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 65.68 1o8r h PRO 64 Cb 1.14 -0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.28 1o8r h PRO 64 CO 0.49 0.23 -0.00 0.09 0.14 0.00 0.00 178.00 178.94 1o8r n ASN 65 N -4.31 0.00 -0.34 1.44 3.02 -1.26 -3.85 115.26 109.97 1o8r n ASN 65 Ca -0.02 0.12 0.22 0.00 -0.03 0.00 0.00 54.58 54.87 1o8r n ASN 65 Cb 0.25 -0.37 0.46 0.00 -0.61 0.00 0.00 39.78 39.51 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o8r h ALA 66 N 3.25 1.95 -0.88 5.41 0.00 -1.39 0.56 119.26 128.16 1o8r h ALA 66 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1o8r h ALA 66 Cb 0.37 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1o8r h ALA 66 CO 0.00 -0.51 0.56 1.96 0.00 0.00 0.00 179.25 181.26 1o8r h GLN 67 N 0.40 1.17 0.20 0.00 4.20 -1.79 0.27 115.11 119.55 1o8r h GLN 67 Ca 0.70 -0.08 -0.31 0.00 0.06 0.00 0.00 58.65 59.02 1o8r h GLN 67 Cb 1.56 -0.26 0.02 0.00 0.30 0.00 0.00 27.48 29.11 1o8r h GLN 67 CO -0.54 0.79 -1.38 1.49 -0.67 0.00 0.00 178.83 178.52 1o8r h GLU 68 N 1.20 0.42 -0.50 1.46 4.81 -0.38 -3.25 114.58 118.33 1o8r h GLU 68 Ca 0.32 -0.71 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 1o8r h GLU 68 Cb -0.10 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1o8r h GLU 68 CO -0.07 1.34 0.01 0.82 -0.73 0.00 0.00 179.01 180.38 1o8r h ILE 69 N 0.11 1.26 0.49 2.32 2.04 -0.12 -3.22 117.51 120.39 1o8r h ILE 69 Ca -0.20 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.58 1o8r h ILE 69 Cb 2.08 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.10 1o8r h ILE 69 CO 0.24 0.38 -0.41 0.25 0.00 0.00 0.00 178.15 178.61 1o8r h LEU 70 N 0.75 -1.09 -0.85 1.44 5.85 -0.57 0.87 115.31 121.71 1o8r h LEU 70 Ca 0.14 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1o8r h LEU 70 Cb 0.50 0.35 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1o8r h LEU 70 CO 0.02 -0.58 0.55 1.56 -0.34 0.00 0.00 178.44 179.65 1o8r h GLN 71 N -0.89 0.00 0.00 1.25 4.20 -1.58 0.24 115.11 118.32 1o8r h GLN 71 Ca -0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1o8r h GLN 71 Cb 0.77 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1o8r h GLN 71 CO -0.02 0.00 -0.44 -0.09 -0.67 0.00 0.00 178.83 177.60 1o8r h ARG 72 N 0.00 0.00 -0.39 1.46 2.43 -0.89 -2.50 114.38 114.50 1o8r h ARG 72 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1o8r h ARG 72 Cb 1.10 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.58 1o8r h ARG 72 CO 0.00 0.19 -0.14 -0.07 -1.51 0.00 0.00 179.97 178.44 1o8r h LEU 73 N -1.00 -0.50 0.15 3.80 3.38 0.39 1.53 115.31 123.06 1o8r h LEU 73 Ca -0.05 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1o8r h LEU 73 Cb 0.51 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1o8r h LEU 73 CO -0.03 -0.18 -0.28 -0.33 0.09 0.00 0.00 178.44 177.72 1o8r h GLU 74 N -0.06 -0.50 0.38 1.13 5.08 -0.82 2.55 114.58 122.34 1o8r h GLU 74 Ca 0.19 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1o8r h GLU 74 Cb 0.35 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1o8r h GLU 74 CO -0.43 -0.33 -0.18 1.49 -1.00 0.00 0.00 179.01 178.56 1o8r h GLU 75 N -0.51 -0.49 -0.33 2.33 4.81 -0.78 -2.22 114.58 117.38 1o8r h GLU 75 Ca 0.02 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1o8r h GLU 75 Cb 0.53 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1o8r h GLU 75 CO -0.14 -0.29 0.10 0.82 -0.73 0.00 0.00 179.01 178.77 1o8r h ILE 76 N -0.57 1.15 -0.50 2.32 1.08 0.23 -1.47 117.51 119.76 1o8r h ILE 76 Ca -0.05 -0.50 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1o8r h ILE 76 Cb 0.43 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 1o8r h ILE 76 CO 0.09 0.19 0.33 0.00 -0.69 0.00 0.00 178.15 178.06 1o8r h ALA 77 N 1.64 1.75 -0.97 1.87 0.00 0.48 -1.53 119.26 122.50 1o8r h ALA 77 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1o8r h ALA 77 Cb 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 1o8r h ALA 77 CO -0.01 0.20 0.64 1.49 0.00 0.00 0.00 179.25 181.57 1o8r h GLU 78 N 0.57 1.19 -3.65 0.00 4.81 -0.66 -3.39 114.58 113.45 1o8r h GLU 78 Ca 0.20 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 1o8r h GLU 78 Cb 0.08 -0.27 -0.18 0.00 0.63 0.00 0.00 28.75 29.01 1o8r h GLU 78 CO -0.05 0.79 -0.47 0.16 -0.73 0.00 0.00 179.01 178.71 1o8r s ASP 79 N -6.05 0.09 0.09 1.04 -4.77 -0.58 -3.98 116.67 102.51 1o8r s ASP 79 Ca -0.12 -0.40 -0.29 0.00 -3.30 0.00 0.00 52.55 48.44 1o8r s ASP 79 Cb 0.19 0.24 -0.15 0.00 -1.09 0.00 0.00 42.92 42.11 1o8r s ASP 79 CO 0.81 -0.50 1.66 -0.65 0.70 0.00 0.00 175.17 177.20 1o8r h PRO 80 N 3.72 -0.53 0.00 2.11 0.10 -1.86 -3.43 132.00 132.12 1o8r h PRO 80 Ca -0.32 0.04 0.00 0.00 0.10 0.00 0.00 66.00 65.82 1o8r h PRO 80 Cb 1.19 0.12 0.00 0.00 0.10 0.00 0.00 31.00 32.41 1o8r h PRO 80 CO 0.47 -0.35 0.00 0.41 0.10 0.00 0.00 178.00 178.63 1o8r n GLY 81 N -1.35 0.87 0.21 -0.55 0.00 -1.26 -3.18 105.19 99.93 1o8r n GLY 81 Ca -0.10 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.21 1o8r n GLY 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1o8r h THR 82 N 0.00 0.13 0.11 2.61 1.35 -1.97 -3.33 112.91 111.81 1o8r h THR 82 Ca 0.00 -1.18 0.02 0.00 -0.55 0.00 0.00 66.41 64.69 1o8r h THR 82 Cb 0.00 2.06 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 1o8r h THR 82 CO 0.00 0.07 -0.25 0.00 -0.25 0.00 0.00 175.52 175.09 1o8r h GLU 84 N -0.45 0.04 -0.65 0.00 4.81 -1.69 0.78 114.58 117.43 1o8r h GLU 84 Ca 0.03 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1o8r h GLU 84 Cb 0.48 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1o8r h GLU 84 CO -0.15 0.03 0.00 0.44 -0.73 0.00 0.00 179.01 178.60 1o8r n ILE 85 N -4.43 1.85 -1.72 2.32 -5.35 -0.53 -4.90 119.36 106.60 1o8r n ILE 85 Ca 0.07 -1.15 -0.11 0.00 -0.27 0.00 0.00 62.75 61.29 1o8r n ILE 85 Cb 0.46 0.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r n ALA 87 N -0.59 1.77 -3.08 0.00 0.00 -0.11 -4.82 120.51 113.68 1o8r n ALA 87 Ca -0.12 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1o8r n ALA 87 Cb 0.46 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.55 1o8r n ALA 87 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1o8r s TYR 88 N -3.07 0.52 -2.00 0.00 1.51 -1.26 -5.01 117.35 108.04 1o8r s TYR 88 Ca 0.07 -0.87 0.23 0.00 -1.01 0.00 0.00 57.07 55.50 1o8r s TYR 88 Cb 0.11 0.11 1.37 0.00 -0.11 0.00 0.00 41.96 43.44 1o8r s TYR 88 CO 0.34 -1.01 1.82 0.00 -1.11 0.00 0.00 175.55 175.59 1o8r n ALA 89 N -0.40 2.53 0.26 3.71 0.00 -1.26 -3.47 120.51 121.88 1o8r n ALA 89 Ca -0.01 -0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.35 1o8r n ALA 89 Cb 0.62 -1.37 0.29 0.00 0.00 0.00 0.00 19.45 18.99 1o8r n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o8r n ALA 90 N -0.90 1.35 -3.51 0.00 0.00 -1.26 -4.58 120.51 111.60 1o8r n ALA 90 Ca 0.17 0.03 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 1o8r n ALA 90 Cb 0.08 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1o8r n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o8r n THR 92 N -0.91 0.00 0.26 0.00 -1.04 0.16 -4.25 114.28 108.50 1o8r n THR 92 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 1o8r n THR 92 Cb 0.16 0.20 0.69 0.00 -1.82 0.00 0.00 70.33 69.56 1o8r n THR 92 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1o8r h GLY 93 N 0.00 0.00 0.00 3.41 0.00 -1.87 -3.45 103.07 101.16 1o8r h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o8r h GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54