#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 0.92 -0.27 2.52 2.01 0.16 -4.83 115.64 116.15 1o8r s THR 2 Ca 0.00 -1.23 -0.17 0.00 0.31 0.00 0.00 61.69 60.59 1o8r s THR 2 Cb 0.00 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1o8r s THR 2 CO 0.00 -0.28 0.49 0.54 -0.69 0.00 0.00 174.62 174.69 1o8r s VAL 3 N -1.32 5.08 0.09 3.82 0.11 -0.48 0.26 120.40 127.96 1o8r s VAL 3 Ca -0.05 0.77 0.08 0.00 -2.93 0.00 0.00 61.98 59.86 1o8r s VAL 3 Cb -0.10 -3.83 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1o8r s VAL 3 CO 0.02 0.06 -0.18 0.00 -3.33 0.00 0.00 175.10 171.66 1o8r s GLN 4 N 2.29 1.88 0.00 1.54 -2.07 -0.82 0.23 119.66 122.71 1o8r s GLN 4 Ca 0.20 -1.11 0.00 0.00 -1.82 0.00 0.00 55.36 52.63 1o8r s GLN 4 Cb -0.16 -2.14 0.00 0.00 -1.09 0.00 0.00 33.01 29.63 1o8r s GLN 4 CO 0.10 0.50 0.00 -0.25 -1.32 0.00 0.00 175.29 174.32 1o8r n ASP 5 N 1.06 0.00 0.00 12.60 8.00 -0.97 -4.84 116.55 132.41 1o8r n ASP 5 Ca -0.16 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1o8r n ASP 5 Cb 0.52 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 2.03 0.45 0.62 0.44 0.00 -1.26 -4.86 105.19 102.61 1o8r n GLY 6 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1o8r n GLY 6 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1o8r n ASN 7 N 0.00 1.67 -4.26 1.61 5.15 -1.26 -4.82 115.26 113.35 1o8r n ASN 7 Ca 0.00 -2.12 -0.23 0.00 -0.60 0.00 0.00 54.58 51.63 1o8r n ASN 7 Cb 0.00 -0.33 -0.13 0.00 -0.53 0.00 0.00 39.78 38.80 1o8r n ASN 7 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1o8r s PHE 8 N -1.62 1.70 -0.10 1.20 2.19 -1.26 -5.14 117.98 114.95 1o8r s PHE 8 Ca 0.15 -0.41 -0.02 0.00 0.33 0.00 0.00 56.93 56.97 1o8r s PHE 8 Cb 0.09 -0.95 -0.03 0.00 -1.31 0.00 0.00 43.02 40.82 1o8r s PHE 8 CO 0.07 0.16 -0.01 0.45 1.83 0.00 0.00 175.22 177.72 1o8r s SER 9 N -1.69 5.15 -0.09 6.13 0.15 -1.26 -2.29 113.70 119.81 1o8r s SER 9 Ca 0.05 0.09 0.05 0.00 0.70 0.00 0.00 55.95 56.84 1o8r s SER 9 Cb -0.10 -1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 62.68 1o8r s SER 9 CO 0.03 0.33 -0.24 -0.36 1.20 0.00 0.00 173.24 174.21 1o8r s PHE 10 N -0.60 2.53 0.92 3.44 0.08 0.64 -4.88 117.98 120.11 1o8r s PHE 10 Ca 0.10 -0.89 -0.11 0.00 0.12 0.00 0.00 56.93 56.14 1o8r s PHE 10 Cb -0.12 -1.68 0.14 0.00 -0.57 0.00 0.00 43.02 40.80 1o8r s PHE 10 CO 0.02 -0.32 1.09 0.45 -0.10 0.00 0.00 175.22 176.36 1o8r s SER 11 N 0.14 3.18 0.00 1.36 0.15 -1.26 -1.38 113.70 115.88 1o8r s SER 11 Ca -0.12 1.64 0.21 0.00 0.70 0.00 0.00 55.95 58.38 1o8r s SER 11 Cb -0.16 -2.29 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 1o8r s SER 11 CO 0.07 -2.85 1.01 0.18 1.20 0.00 0.00 173.24 172.85 1o8r n LEU 12 N -4.03 1.86 0.00 3.45 4.77 -1.26 -4.48 117.00 117.30 1o8r n LEU 12 Ca 0.07 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1o8r n LEU 12 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1o8r n LEU 12 CO 0.54 0.35 0.23 1.21 -1.33 0.00 0.00 177.39 178.40 1o8r n GLU 13 N -0.16 0.00 -0.31 3.23 2.13 -1.26 -1.79 120.64 122.48 1o8r n GLU 13 Ca 0.08 0.35 -0.05 0.00 0.66 0.00 0.00 57.16 58.20 1o8r n GLU 13 Cb 0.43 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 31.01 1o8r n GLU 13 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 1o8r h SER 14 N 0.00 -1.47 -0.77 4.31 0.02 -1.90 0.43 113.55 114.17 1o8r h SER 14 Ca 0.00 0.28 0.14 0.00 -0.84 0.00 0.00 61.79 61.37 1o8r h SER 14 Cb 0.00 0.72 -0.09 0.00 0.14 0.00 0.00 62.40 63.17 1o8r h SER 14 CO 0.00 -0.30 0.33 -0.37 -1.14 0.00 0.00 176.83 175.36 1o8r h VAL 15 N -0.09 0.68 0.54 2.27 -1.51 -1.79 1.37 116.25 117.73 1o8r h VAL 15 Ca 0.27 -0.17 -0.02 0.00 -1.23 0.00 0.00 66.70 65.55 1o8r h VAL 15 Cb 0.56 0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 29.85 1o8r h VAL 15 CO -0.85 0.09 -0.45 0.50 -1.23 0.00 0.00 177.57 175.63 1o8r h LYS 16 N 0.49 -0.94 -0.77 5.19 3.64 0.63 0.38 116.57 125.19 1o8r h LYS 16 Ca 0.42 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1o8r h LYS 16 Cb 0.62 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1o8r h LYS 16 CO -0.39 -0.63 0.00 1.63 -2.27 0.00 0.00 179.45 177.80 1o8r n LYS 17 N -5.55 1.11 -0.20 1.90 4.76 -0.61 -3.89 118.16 115.67 1o8r n LYS 17 Ca -0.12 -0.10 -0.09 0.00 -2.87 0.00 0.00 58.31 55.13 1o8r n LYS 17 Cb 0.44 -1.41 0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1o8r h LEU 18 N 0.13 0.95 -0.87 -0.35 6.46 0.41 -1.96 115.31 120.07 1o8r h LEU 18 Ca 0.00 -0.29 0.13 0.00 -0.12 0.00 0.00 57.88 57.61 1o8r h LEU 18 Cb 0.43 -0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 40.02 1o8r h LEU 18 CO 0.01 1.00 0.48 0.50 -0.62 0.00 0.00 178.44 179.82 1o8r h LYS 19 N 0.87 0.70 -2.35 1.25 3.64 -1.73 -3.32 116.57 115.63 1o8r h LYS 19 Ca 0.17 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.92 1o8r h LYS 19 Cb 0.49 -0.16 -0.38 0.00 -0.41 0.00 0.00 32.23 31.77 1o8r h LYS 19 CO 0.02 0.46 -0.97 0.34 -2.27 0.00 0.00 179.45 177.04 1o8r s ASP 20 N -5.50 1.41 -0.18 4.20 2.15 -1.09 -5.02 116.67 112.63 1o8r s ASP 20 Ca -0.12 -3.02 -0.07 0.00 0.43 0.00 0.00 52.55 49.77 1o8r s ASP 20 Cb 0.21 -0.40 -0.04 0.00 -0.30 0.00 0.00 42.92 42.40 1o8r s ASP 20 CO 0.79 -0.17 0.05 -0.22 -0.17 0.00 0.00 175.17 175.44 1o8r s LEU 21 N 0.10 3.75 0.00 -1.34 0.20 -0.76 -4.93 118.68 115.70 1o8r s LEU 21 Ca 0.32 0.06 0.05 0.00 0.69 0.00 0.00 54.13 55.25 1o8r s LEU 21 Cb 0.03 -1.94 0.05 0.00 -0.43 0.00 0.00 46.19 43.89 1o8r s LEU 21 CO -0.19 0.18 0.37 0.00 -0.29 0.00 0.00 176.35 176.42 1o8r n GLN 22 N 3.50 0.86 -0.27 1.98 6.02 -1.26 -4.67 117.38 123.54 1o8r n GLN 22 Ca -0.17 -1.76 -0.03 0.00 -0.01 0.00 0.00 57.00 55.04 1o8r n GLN 22 Cb 0.52 -0.03 0.03 0.00 1.02 0.00 0.00 30.24 31.78 1o8r n GLN 22 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1o8r h GLU 23 N 0.00 -0.08 -6.90 -1.09 5.08 -1.99 -3.40 114.58 106.20 1o8r h GLU 23 Ca -0.16 0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.66 1o8r h GLU 23 Cb 0.69 0.02 0.11 0.00 0.50 0.00 0.00 28.75 30.06 1o8r h GLU 23 CO 0.24 -0.06 0.76 -2.30 -1.00 0.00 0.00 179.01 176.65 1o8r n PRO 24 N -5.46 2.62 -0.23 2.33 -0.01 -1.26 -4.88 135.00 128.11 1o8r n PRO 24 Ca 0.07 0.92 0.06 0.00 -0.01 0.00 0.00 63.50 64.54 1o8r n PRO 24 Cb 0.38 -2.64 0.31 0.00 -0.01 0.00 0.00 33.50 31.54 1o8r n PRO 24 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 175.50 177.45 1o8r h GLN 25 N 3.09 0.82 -0.80 -0.52 4.20 -1.97 -3.40 115.11 116.53 1o8r h GLN 25 Ca -0.50 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.25 1o8r h GLN 25 Cb 1.25 -0.19 -0.20 0.00 0.30 0.00 0.00 27.48 28.63 1o8r h GLN 25 CO 0.65 0.54 -0.26 -1.21 -0.67 0.00 0.00 178.83 177.89 1o8r s GLU 26 N -5.75 0.45 0.57 1.46 0.41 -1.26 -4.88 118.70 109.69 1o8r s GLU 26 Ca -0.10 0.50 0.30 0.00 -0.41 0.00 0.00 54.97 55.25 1o8r s GLU 26 Cb 0.20 0.24 1.72 0.00 -1.78 0.00 0.00 34.13 34.50 1o8r s GLU 26 CO 0.78 -0.79 2.19 -1.00 -0.49 0.00 0.00 175.26 175.96 1o8r h PRO 27 N 7.83 0.00 -5.48 0.39 0.14 -1.96 -3.41 132.00 129.50 1o8r h PRO 27 Ca -0.06 0.00 -0.50 0.00 0.14 0.00 0.00 66.00 65.58 1o8r h PRO 27 Cb 1.18 0.00 -0.28 0.00 0.14 0.00 0.00 31.00 32.04 1o8r h PRO 27 CO 0.09 0.05 -0.82 1.03 0.14 0.00 0.00 178.00 178.49 1o8r s ARG 28 N -4.41 1.21 0.00 0.86 0.52 -1.26 -5.14 118.95 110.73 1o8r s ARG 28 Ca -0.04 -0.63 0.05 0.00 -0.52 0.00 0.00 55.73 54.59 1o8r s ARG 28 Cb 0.14 -1.19 -0.02 0.00 0.52 0.00 0.00 34.95 34.40 1o8r s ARG 28 CO 0.55 0.32 -0.17 0.08 0.02 0.00 0.00 175.30 176.10 1o8r s VAL 29 N -0.49 1.33 0.07 3.52 1.01 -1.26 -5.14 120.40 119.44 1o8r s VAL 29 Ca 0.05 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1o8r s VAL 29 Cb -0.07 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1o8r s VAL 29 CO -0.00 0.30 -0.07 -0.83 0.00 0.00 0.00 175.10 174.50 1o8r s GLY 30 N -0.59 0.62 0.15 4.51 0.00 -1.26 -5.05 107.32 105.70 1o8r s GLY 30 Ca 0.06 -1.07 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 1o8r s GLY 30 CO -0.00 -1.15 1.79 0.50 0.00 0.00 0.00 173.10 174.23 1o8r h LYS 31 N 3.68 0.38 -5.72 2.90 1.57 -2.09 -3.42 116.57 113.87 1o8r h LYS 31 Ca -0.35 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.81 1o8r h LYS 31 Cb 1.18 -0.09 -0.30 0.00 0.08 0.00 0.00 32.23 33.10 1o8r h LYS 31 CO 0.54 0.25 -0.85 -1.17 -0.57 0.00 0.00 179.45 177.65 1o8r s LEU 32 N -10.21 2.00 -0.38 2.94 2.96 -1.26 -5.10 118.68 109.62 1o8r s LEU 32 Ca -0.13 -0.38 -0.21 0.00 -0.22 0.00 0.00 54.13 53.19 1o8r s LEU 32 Cb 0.11 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.74 1o8r s LEU 32 CO 0.71 0.21 0.64 -0.13 -1.32 0.00 0.00 176.35 176.46 1o8r s ARG 33 N -0.23 3.55 0.00 1.98 0.52 -1.26 -4.82 118.95 118.69 1o8r s ARG 33 Ca 0.02 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 1o8r s ARG 33 Cb -0.10 -3.86 0.00 0.00 0.52 0.00 0.00 34.95 31.51 1o8r s ARG 33 CO 0.01 -0.83 0.31 0.09 0.02 0.00 0.00 175.30 174.90 1o8r n ASN 34 N 6.13 0.00 -2.21 0.23 3.02 -1.25 -4.41 115.26 116.76 1o8r n ASN 34 Ca -0.01 -1.00 -0.30 0.00 -0.03 0.00 0.00 54.58 53.23 1o8r n ASN 34 Cb 0.48 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.00 3.04 -1.32 3.10 3.72 -1.26 -4.51 117.46 120.23 1o8r n PHE 35 Ca 0.00 -2.68 -0.37 0.00 -0.05 0.00 0.00 57.45 54.35 1o8r n PHE 35 Cb 0.41 -1.19 0.05 0.00 -0.94 0.00 0.00 39.48 37.81 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 -0.94 -1.72 0.56 4.37 0.00 -1.26 -4.74 120.51 116.78 1o8r n ALA 36 Ca 0.59 -0.16 0.03 0.00 0.00 0.00 0.00 53.44 53.89 1o8r n ALA 36 Cb 0.88 -1.76 0.16 0.00 0.00 0.00 0.00 19.45 18.73 1o8r n ALA 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1o8r n PRO 37 N -0.10 0.28 -0.66 0.00 -0.05 -1.25 -4.88 135.00 128.34 1o8r n PRO 37 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.55 1o8r n PRO 37 Cb 0.49 -1.31 0.00 0.00 -0.05 0.00 0.00 33.50 32.63 1o8r n PRO 37 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1o8r n ILE 38 N -0.81 -2.75 -0.67 0.52 5.41 -1.26 -4.96 119.36 114.85 1o8r n ILE 38 Ca 0.04 0.97 -0.29 0.00 1.00 0.00 0.00 62.75 64.48 1o8r n ILE 38 Cb 0.02 -1.60 0.25 0.00 -0.71 0.00 0.00 39.64 37.59 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1o8r s PRO 39 N -4.26 -1.15 0.00 0.38 0.05 -1.26 -4.31 135.00 124.45 1o8r s PRO 39 Ca 0.00 0.55 0.00 0.00 0.05 0.00 0.00 61.00 61.60 1o8r s PRO 39 Cb 0.00 -1.55 0.00 0.00 0.05 0.00 0.00 34.50 33.00 1o8r s PRO 39 CO 0.00 -3.81 0.00 0.41 0.05 0.00 0.00 177.00 173.65 1o8r n GLY 40 N 0.43 0.79 2.48 0.56 0.00 -1.26 -5.02 105.19 103.17 1o8r n GLY 40 Ca 0.05 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 1o8r n GLY 40 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1o8r n GLU 41 N -2.35 0.59 -1.79 1.61 0.28 -1.26 -5.10 120.64 112.62 1o8r n GLU 41 Ca 0.00 -3.47 -0.42 0.00 -0.16 0.00 0.00 57.16 53.11 1o8r n GLU 41 Cb 0.00 -1.78 -0.03 0.00 1.43 0.00 0.00 31.44 31.06 1o8r n GLU 41 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 1o8r s PRO 42 N -0.37 4.14 -0.48 3.44 0.01 -1.26 -4.90 135.00 135.58 1o8r s PRO 42 Ca 0.32 2.55 0.05 0.00 0.01 0.00 0.00 61.00 63.92 1o8r s PRO 42 Cb 0.03 -3.07 0.39 0.00 0.01 0.00 0.00 34.50 31.86 1o8r s PRO 42 CO -0.19 -0.68 1.06 1.33 0.01 0.00 0.00 177.00 178.53 1o8r n VAL 43 N 3.43 2.59 -2.70 3.83 0.24 -1.26 -4.77 118.33 119.69 1o8r n VAL 43 Ca 0.13 -5.14 -0.07 0.00 -2.04 0.00 0.00 64.34 57.22 1o8r n VAL 43 Cb 0.36 -1.31 0.09 0.00 -1.47 0.00 0.00 33.84 31.52 1o8r n VAL 43 CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1o8r n VAL 44 N -0.41 0.00 -0.10 3.34 3.14 -1.26 0.58 118.33 123.63 1o8r n VAL 44 Ca 0.36 -1.31 0.01 0.00 -2.96 0.00 0.00 64.34 60.45 1o8r n VAL 44 Cb 0.57 1.10 0.30 0.00 -1.06 0.00 0.00 33.84 34.75 1o8r n VAL 44 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1o8r h PRO 45 N 2.20 0.74 0.00 1.45 0.13 -1.95 -3.36 132.00 131.21 1o8r h PRO 45 Ca -0.27 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1o8r h PRO 45 Cb 1.22 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1o8r h PRO 45 CO -0.02 0.56 -0.32 0.44 -0.23 0.00 0.00 178.00 178.43 1o8r n ILE 46 N -4.39 0.00 0.00 -3.56 -5.35 -1.26 -5.05 119.36 99.76 1o8r n ILE 46 Ca 0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1o8r n ILE 46 Cb 0.11 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 1o8r n ILE 46 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1o8r n LEU 47 N -0.74 0.00 -3.01 7.28 4.77 -1.26 -5.04 117.00 119.00 1o8r n LEU 47 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1o8r n LEU 47 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1o8r n LEU 47 CO 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 177.39 175.86 1o8r h SER 49 N 4.35 -0.37 -2.93 0.00 0.02 -0.21 -3.38 113.55 111.04 1o8r h SER 49 Ca 0.00 0.09 -0.57 0.00 -0.84 0.00 0.00 61.79 60.47 1o8r h SER 49 Cb 0.40 0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1o8r h SER 49 CO 0.00 -0.14 1.13 0.20 -1.14 0.00 0.00 176.83 176.88 1o8r s ASN 50 N -5.15 6.27 0.03 3.07 -0.87 -1.26 -4.83 114.94 112.20 1o8r s ASN 50 Ca -0.14 1.26 0.06 0.00 -1.57 0.00 0.00 52.86 52.48 1o8r s ASN 50 Cb 0.12 -2.53 0.29 0.00 -0.02 0.00 0.00 41.25 39.10 1o8r s ASN 50 CO 0.69 -1.41 1.20 -2.65 -2.57 0.00 0.00 177.10 172.36 1o8r n PRO 51 N 7.94 0.02 -1.60 -0.60 -0.02 -1.26 -2.01 135.00 137.47 1o8r n PRO 51 Ca 0.19 0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 1o8r n PRO 51 Cb 0.47 -1.55 0.08 0.00 -0.02 0.00 0.00 33.50 32.48 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1o8r n ASN 52 N -1.58 2.08 -3.94 2.55 5.03 -1.26 -5.04 115.26 113.10 1o8r n ASN 52 Ca 0.01 -2.91 -0.30 0.00 0.87 0.00 0.00 54.58 52.25 1o8r n ASN 52 Cb 0.06 -0.41 0.21 0.00 -1.02 0.00 0.00 39.78 38.61 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1o8r s PHE 53 N -2.42 1.21 -0.47 3.10 -0.71 -0.85 -4.78 117.98 113.07 1o8r s PHE 53 Ca 0.37 0.24 -0.27 0.00 -1.04 0.00 0.00 56.93 56.24 1o8r s PHE 53 Cb 0.37 -4.18 -0.29 0.00 -1.21 0.00 0.00 43.02 37.71 1o8r s PHE 53 CO -0.07 -2.94 1.75 -2.30 -1.34 0.00 0.00 175.22 170.31 1o8r n PRO 54 N -3.95 0.04 -0.37 1.99 -0.01 -1.26 -4.65 135.00 126.78 1o8r n PRO 54 Ca 0.17 -1.22 0.36 0.00 -0.01 0.00 0.00 63.50 62.79 1o8r n PRO 54 Cb 0.59 -3.00 0.55 0.00 -0.01 0.00 0.00 33.50 31.63 1o8r n PRO 54 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1o8r n GLU 55 N 7.73 0.01 0.19 -0.52 2.13 -1.26 0.27 120.64 129.19 1o8r n GLU 55 Ca 0.41 1.02 0.11 0.00 0.66 0.00 0.00 57.16 59.35 1o8r n GLU 55 Cb 0.44 -2.47 0.59 0.00 0.27 0.00 0.00 31.44 30.26 1o8r n GLU 55 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1o8r h GLU 56 N 0.00 0.00 -0.58 5.31 5.08 -2.02 0.75 114.58 123.13 1o8r h GLU 56 Ca 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1o8r h GLU 56 Cb 3.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.40 1o8r h GLU 56 CO -0.01 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.28 1o8r n LEU 57 N -2.31 3.03 -0.36 1.33 4.77 0.77 -4.49 117.00 119.75 1o8r n LEU 57 Ca -0.01 -1.53 0.07 0.00 -0.03 0.00 0.00 56.01 54.51 1o8r n LEU 57 Cb 0.16 -0.43 0.16 0.00 -2.33 0.00 0.00 43.42 40.98 1o8r n LEU 57 CO 0.10 0.55 0.67 1.17 -1.33 0.00 0.00 177.39 178.55 1o8r n LYS 58 N 0.64 -0.09 -0.11 3.23 0.00 0.26 0.12 118.16 122.22 1o8r n LYS 58 Ca 0.16 1.54 -0.06 0.00 0.00 0.00 0.00 58.31 59.95 1o8r n LYS 58 Cb 0.57 -2.32 0.02 0.00 0.00 0.00 0.00 35.03 33.30 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1o8r h PRO 59 N 0.00 0.26 -0.58 1.64 0.10 -1.84 -0.36 132.00 131.21 1o8r h PRO 59 Ca 0.49 -0.02 0.11 0.00 0.10 0.00 0.00 66.00 66.69 1o8r h PRO 59 Cb 0.80 -0.06 -0.11 0.00 0.10 0.00 0.00 31.00 31.73 1o8r h PRO 59 CO -1.01 0.17 -0.27 1.25 0.10 0.00 0.00 178.00 178.24 1o8r h LEU 60 N 0.26 -0.95 -1.26 2.35 5.85 0.63 0.38 115.31 122.58 1o8r h LEU 60 Ca 0.17 0.21 -0.08 0.00 0.84 0.00 0.00 57.88 59.03 1o8r h LEU 60 Cb 0.16 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1o8r h LEU 60 CO -0.18 -0.28 -0.34 0.00 -0.34 0.00 0.00 178.44 177.30 1o8r n LYS 62 N -4.12 1.00 -4.53 0.00 4.81 0.12 -4.73 118.16 110.70 1o8r n LYS 62 Ca -0.02 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.20 1o8r n LYS 62 Cb 0.39 -1.33 -0.14 0.00 0.02 0.00 0.00 35.03 33.97 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1o8r s GLU 63 N -2.00 1.15 0.46 1.64 -1.05 -0.26 -5.00 118.70 113.64 1o8r s GLU 63 Ca 0.31 -0.76 0.32 0.00 -0.15 0.00 0.00 54.97 54.69 1o8r s GLU 63 Cb 0.14 -1.18 1.63 0.00 -0.44 0.00 0.00 34.13 34.28 1o8r s GLU 63 CO 0.24 0.30 1.96 -1.35 0.95 0.00 0.00 175.26 177.37 1o8r h PRO 64 N 5.12 0.00 0.00 -4.83 0.11 -1.86 -1.15 132.00 129.39 1o8r h PRO 64 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1o8r h PRO 64 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1o8r h PRO 64 CO 0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.33 1o8r n ASN 65 N -2.64 0.00 -0.31 -2.05 5.03 -1.26 -3.78 115.26 110.25 1o8r n ASN 65 Ca -0.01 0.42 0.14 0.00 0.87 0.00 0.00 54.58 56.00 1o8r n ASN 65 Cb 0.10 -0.47 0.32 0.00 -1.02 0.00 0.00 39.78 38.71 1o8r n ASN 65 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1o8r h ALA 66 N 3.04 1.48 -0.68 5.41 0.00 -1.22 0.91 119.26 128.21 1o8r h ALA 66 Ca 0.00 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1o8r h ALA 66 Cb 0.47 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1o8r h ALA 66 CO 0.00 -0.34 0.44 0.37 0.00 0.00 0.00 179.25 179.72 1o8r h GLN 67 N 0.41 0.87 0.21 0.00 4.15 -1.81 0.82 115.11 119.75 1o8r h GLN 67 Ca 0.57 -0.05 -0.32 0.00 0.77 0.00 0.00 58.65 59.62 1o8r h GLN 67 Cb 1.09 -0.20 0.03 0.00 0.21 0.00 0.00 27.48 28.62 1o8r h GLN 67 CO -0.53 0.57 -1.40 0.93 -1.93 0.00 0.00 178.83 176.48 1o8r h GLU 68 N 0.89 0.56 -0.12 1.69 5.08 -0.87 -3.14 114.58 118.69 1o8r h GLU 68 Ca 0.25 -0.88 -0.03 0.00 -1.00 0.00 0.00 59.36 57.70 1o8r h GLU 68 Cb -0.07 0.32 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1o8r h GLU 68 CO -0.07 1.42 -0.03 0.82 -1.00 0.00 0.00 179.01 180.15 1o8r h ILE 69 N 0.19 1.29 -0.17 3.13 2.04 0.87 -3.00 117.51 121.86 1o8r h ILE 69 Ca -0.23 -0.97 0.05 0.00 1.00 0.00 0.00 64.86 64.71 1o8r h ILE 69 Cb 2.08 1.70 -0.07 0.00 -0.74 0.00 0.00 36.82 39.80 1o8r h ILE 69 CO 0.26 0.28 -0.35 0.25 0.00 0.00 0.00 178.15 178.59 1o8r h LEU 70 N -0.10 -1.11 -0.56 1.44 7.12 0.54 -0.93 115.31 121.72 1o8r h LEU 70 Ca 0.03 0.16 0.11 0.00 0.13 0.00 0.00 57.88 58.31 1o8r h LEU 70 Cb 0.45 0.47 -0.11 0.00 -0.53 0.00 0.00 40.66 40.94 1o8r h LEU 70 CO 0.01 -0.37 -0.25 -0.61 -0.13 0.00 0.00 178.44 177.09 1o8r h GLN 71 N -0.40 -0.10 -0.15 1.25 4.15 -1.55 0.06 115.11 118.36 1o8r h GLN 71 Ca 0.10 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.57 1o8r h GLN 71 Cb 0.57 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.24 1o8r h GLN 71 CO -0.40 -0.07 -0.13 0.00 -1.93 0.00 0.00 178.83 176.30 1o8r h ARG 72 N -0.11 -0.14 -0.17 1.69 3.08 -1.16 -0.96 114.38 116.60 1o8r h ARG 72 Ca 0.25 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.36 1o8r h ARG 72 Cb 0.50 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 1o8r h ARG 72 CO -0.62 -0.10 -0.18 -0.07 -1.07 0.00 0.00 179.97 177.93 1o8r h LEU 73 N -0.15 -0.56 -1.22 3.04 3.38 0.17 -0.77 115.31 119.21 1o8r h LEU 73 Ca 0.10 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1o8r h LEU 73 Cb 0.29 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1o8r h LEU 73 CO -0.24 -0.22 0.58 -0.33 0.09 0.00 0.00 178.44 178.31 1o8r h GLU 74 N -0.20 0.80 0.27 1.13 5.08 -0.56 0.08 114.58 121.19 1o8r h GLU 74 Ca 0.11 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1o8r h GLU 74 Cb 0.37 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1o8r h GLU 74 CO -0.29 0.53 -0.13 1.49 -1.00 0.00 0.00 179.01 179.61 1o8r h GLU 75 N 0.83 -0.35 -0.84 2.33 4.81 0.19 -1.68 114.58 119.87 1o8r h GLU 75 Ca 0.43 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1o8r h GLU 75 Cb 0.51 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1o8r h GLU 75 CO -0.19 -0.06 0.47 0.82 -0.73 0.00 0.00 179.01 179.32 1o8r h ILE 76 N -0.63 1.24 0.00 2.32 1.08 -0.95 -0.58 117.51 120.00 1o8r h ILE 76 Ca -0.04 -0.59 -0.01 0.00 -0.39 0.00 0.00 64.86 63.83 1o8r h ILE 76 Cb 0.45 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.28 1o8r h ILE 76 CO 0.06 0.27 -0.07 0.00 -0.69 0.00 0.00 178.15 177.72 1o8r h ALA 77 N 1.34 1.57 -0.31 1.87 0.00 -0.89 -2.10 119.26 120.75 1o8r h ALA 77 Ca 0.30 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1o8r h ALA 77 Cb 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1o8r h ALA 77 CO -0.05 0.09 -0.16 1.49 0.00 0.00 0.00 179.25 180.62 1o8r h GLU 78 N 0.00 0.56 -0.89 0.00 4.81 -0.12 -3.32 114.58 115.61 1o8r h GLU 78 Ca -0.00 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1o8r h GLU 78 Cb 0.16 -0.05 -0.20 0.00 0.63 0.00 0.00 28.75 29.29 1o8r h GLU 78 CO 0.01 0.70 -0.36 0.34 -0.73 0.00 0.00 179.01 178.97 1o8r s ASP 79 N -6.77 -1.43 0.00 1.04 2.15 -0.80 -4.04 116.67 106.82 1o8r s ASP 79 Ca -0.08 -0.17 -0.01 0.00 0.43 0.00 0.00 52.55 52.73 1o8r s ASP 79 Cb 0.14 1.87 -0.05 0.00 -0.30 0.00 0.00 42.92 44.58 1o8r s ASP 79 CO 0.79 -0.22 1.23 -0.81 -0.17 0.00 0.00 175.17 175.98 1o8r n PRO 80 N 4.97 0.58 0.00 4.34 -0.05 -1.18 -4.57 135.00 139.08 1o8r n PRO 80 Ca 0.07 -0.18 0.00 0.00 -0.05 0.00 0.00 63.50 63.34 1o8r n PRO 80 Cb 0.56 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 32.52 1o8r n PRO 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1o8r n GLY 81 N 2.28 -2.97 0.28 0.55 0.00 -1.26 -0.65 105.19 103.41 1o8r n GLY 81 Ca 0.08 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 0.16 -0.96 2.61 1.35 -1.96 -3.12 112.91 110.99 1o8r h THR 82 Ca 0.00 -0.54 0.26 0.00 -0.55 0.00 0.00 66.41 65.57 1o8r h THR 82 Cb 0.00 0.25 -0.18 0.00 -1.73 0.00 0.00 68.15 66.49 1o8r h THR 82 CO 0.00 0.03 -0.00 0.00 -0.25 0.00 0.00 175.52 175.30 1o8r h GLU 84 N 0.00 0.00 -0.39 0.00 4.81 -0.90 -1.92 114.58 116.18 1o8r h GLU 84 Ca 0.57 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.80 1o8r h GLU 84 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1o8r h GLU 84 CO -0.91 0.10 0.00 0.44 -0.73 0.00 0.00 179.01 177.91 1o8r n ILE 85 N -3.71 2.22 -1.31 2.32 -5.35 0.79 -4.92 119.36 109.40 1o8r n ILE 85 Ca -0.02 -1.60 -0.11 0.00 -0.27 0.00 0.00 62.75 60.74 1o8r n ILE 85 Cb 0.20 -0.14 -0.05 0.00 -1.74 0.00 0.00 39.64 37.92 1o8r n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o8r h ALA 87 N 0.05 1.41 -2.60 0.00 0.00 -1.64 -3.44 119.26 113.04 1o8r h ALA 87 Ca -0.23 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1o8r h ALA 87 Cb 1.16 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.81 1o8r h ALA 87 CO 0.34 -0.02 -0.55 0.71 0.00 0.00 0.00 179.25 179.73 1o8r s TYR 88 N -4.51 0.99 -2.00 0.00 2.02 -1.26 -4.97 117.35 107.63 1o8r s TYR 88 Ca -0.05 -1.26 0.14 0.00 -0.37 0.00 0.00 57.07 55.54 1o8r s TYR 88 Cb 0.15 -0.44 0.86 0.00 -0.40 0.00 0.00 41.96 42.13 1o8r s TYR 88 CO 0.51 -0.67 1.50 0.00 -1.57 0.00 0.00 175.55 175.32 1o8r n ALA 89 N -0.26 2.51 -0.18 3.71 0.00 -1.26 -3.74 120.51 121.29 1o8r n ALA 89 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.27 1o8r n ALA 89 Cb 0.65 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.88 1o8r n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o8r h ALA 90 N 3.34 0.66 -2.91 0.00 0.00 -1.93 -3.42 119.26 115.01 1o8r h ALA 90 Ca 0.00 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.12 1o8r h ALA 90 Cb 0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 1o8r h ALA 90 CO 0.00 0.32 -0.26 0.00 0.00 0.00 0.00 179.25 179.31 1o8r s THR 92 N -0.04 2.93 0.00 0.00 -4.23 0.73 -4.62 115.64 110.40 1o8r s THR 92 Ca 0.21 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1o8r s THR 92 Cb -0.14 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.26 1o8r s THR 92 CO 0.08 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1o8r n GLY 93 N 0.10 0.19 0.00 3.99 0.00 -1.26 0.39 105.19 108.60 1o8r n GLY 93 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32