#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 1.60 -0.31 1.55 2.01 -1.14 -4.88 115.64 114.48 1o8r s THR 2 Ca 0.00 -1.87 -0.20 0.00 0.31 0.00 0.00 61.69 59.93 1o8r s THR 2 Cb 0.00 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1o8r s THR 2 CO 0.00 -0.39 0.60 -0.69 -0.69 0.00 0.00 174.62 173.44 1o8r s VAL 3 N -2.21 4.96 0.40 3.82 1.01 -0.42 -1.91 120.40 126.05 1o8r s VAL 3 Ca 0.14 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.91 1o8r s VAL 3 Cb -0.05 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1o8r s VAL 3 CO 0.05 -0.13 0.08 0.00 0.00 0.00 0.00 175.10 175.09 1o8r s GLN 4 N 2.55 1.90 0.23 2.72 -2.07 -0.89 0.22 119.66 124.30 1o8r s GLN 4 Ca 0.24 -2.14 0.00 0.00 -1.82 0.00 0.00 55.36 51.64 1o8r s GLN 4 Cb -0.15 -0.93 0.00 0.00 -1.09 0.00 0.00 33.01 30.84 1o8r s GLN 4 CO 0.12 -0.34 0.00 -0.25 -1.32 0.00 0.00 175.29 173.50 1o8r n ASP 5 N -1.09 0.01 -0.00 12.60 8.00 -1.23 -4.82 116.55 130.02 1o8r n ASP 5 Ca -0.07 0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.81 1o8r n ASP 5 Cb 0.66 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 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 1.79 1.88 0.00 0.44 0.00 -1.26 -4.91 105.19 103.13 1o8r n GLY 6 Ca 0.00 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1o8r n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1o8r n ASN 7 N 0.00 0.00 -4.65 1.61 0.23 -1.26 -4.79 115.26 106.39 1o8r n ASN 7 Ca 0.00 -1.18 -0.28 0.00 -0.53 0.00 0.00 54.58 52.59 1o8r n ASN 7 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.62 1o8r n ASN 7 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1o8r s PHE 8 N -2.00 2.86 -0.08 -2.53 0.08 -1.26 -5.12 117.98 109.92 1o8r s PHE 8 Ca 0.38 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.32 1o8r s PHE 8 Cb 0.17 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 1o8r s PHE 8 CO 0.29 0.49 -0.10 -1.12 -0.10 0.00 0.00 175.22 174.69 1o8r s SER 9 N -2.67 4.37 -0.13 1.36 0.01 -1.26 -3.50 113.70 111.88 1o8r s SER 9 Ca 0.26 -0.14 0.01 0.00 1.31 0.00 0.00 55.95 57.40 1o8r s SER 9 Cb -0.10 -1.23 -0.00 0.00 0.21 0.00 0.00 66.02 64.90 1o8r s SER 9 CO 0.18 0.30 -0.18 -0.36 0.41 0.00 0.00 173.24 173.59 1o8r s PHE 10 N -0.44 2.72 0.84 2.43 0.08 0.13 -4.94 117.98 118.81 1o8r s PHE 10 Ca 0.06 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 56.02 1o8r s PHE 10 Cb -0.12 -1.82 0.10 0.00 -0.57 0.00 0.00 43.02 40.61 1o8r s PHE 10 CO 0.02 -0.41 1.09 -1.12 -0.10 0.00 0.00 175.22 174.71 1o8r s SER 11 N 0.57 4.00 0.20 1.36 0.01 -1.26 -1.30 113.70 117.27 1o8r s SER 11 Ca -0.11 1.42 0.17 0.00 1.31 0.00 0.00 55.95 58.74 1o8r s SER 11 Cb -0.16 -2.13 -0.00 0.00 0.21 0.00 0.00 66.02 63.94 1o8r s SER 11 CO 0.04 -2.29 1.16 -0.07 0.41 0.00 0.00 173.24 172.49 1o8r h LEU 12 N -1.31 0.00 0.07 2.44 3.38 -1.91 -3.32 115.31 114.65 1o8r h LEU 12 Ca -0.48 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1o8r h LEU 12 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1o8r h LEU 12 CO 0.57 0.43 -0.03 -0.08 0.09 0.00 0.00 178.44 179.41 1o8r h GLU 13 N 0.00 -0.09 -0.78 1.13 4.81 -1.93 0.34 114.58 118.07 1o8r h GLU 13 Ca -0.06 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1o8r h GLU 13 Cb 1.38 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.64 1o8r h GLU 13 CO 0.04 -0.06 -0.25 0.77 -0.73 0.00 0.00 179.01 178.78 1o8r h SER 14 N -0.11 -0.92 -0.14 1.04 0.02 -1.94 0.44 113.55 111.94 1o8r h SER 14 Ca -0.01 0.25 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1o8r h SER 14 Cb 0.07 0.55 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1o8r h SER 14 CO 0.02 -0.28 0.05 0.58 -1.14 0.00 0.00 176.83 176.06 1o8r h VAL 15 N -0.04 0.98 0.10 2.27 2.07 -1.66 1.54 116.25 121.52 1o8r h VAL 15 Ca 0.35 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.85 1o8r h VAL 15 Cb 0.58 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1o8r h VAL 15 CO -0.82 0.02 -0.37 0.50 0.02 0.00 0.00 177.57 176.93 1o8r h LYS 16 N 0.13 -0.56 -0.39 1.57 1.63 0.31 0.26 116.57 119.52 1o8r h LYS 16 Ca 0.06 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1o8r h LYS 16 Cb 0.02 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1o8r h LYS 16 CO -0.05 -0.37 0.00 1.63 -3.45 0.00 0.00 179.45 177.21 1o8r n LYS 17 N -5.44 1.11 -0.05 1.90 5.02 0.12 -3.99 118.16 116.82 1o8r n LYS 17 Ca -0.07 -0.12 -0.11 0.00 -2.02 0.00 0.00 58.31 55.99 1o8r n LYS 17 Cb 0.35 -1.22 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1o8r n LYS 17 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1o8r h LEU 18 N 0.18 0.28 -0.31 -0.35 6.46 0.59 -3.11 115.31 119.05 1o8r h LEU 18 Ca 0.00 -0.28 0.01 0.00 -0.12 0.00 0.00 57.88 57.49 1o8r h LEU 18 Cb 0.24 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1o8r h LEU 18 CO 0.01 0.49 0.18 0.50 -0.62 0.00 0.00 178.44 179.01 1o8r h LYS 19 N 0.06 0.36 -5.01 1.25 3.64 -1.70 -3.40 116.57 111.77 1o8r h LYS 19 Ca 0.05 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.77 1o8r h LYS 19 Cb 0.34 -0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 31.89 1o8r h LYS 19 CO 0.01 0.24 -0.57 -0.51 -2.27 0.00 0.00 179.45 176.35 1o8r s ASP 20 N -5.44 5.60 -0.18 4.20 1.01 -1.18 -4.98 116.67 115.70 1o8r s ASP 20 Ca -0.13 -0.06 -0.09 0.00 0.71 0.00 0.00 52.55 52.98 1o8r s ASP 20 Cb 0.10 -2.01 -0.05 0.00 1.01 0.00 0.00 42.92 41.98 1o8r s ASP 20 CO 0.71 0.01 0.12 -0.22 0.21 0.00 0.00 175.17 176.00 1o8r s LEU 21 N 1.35 4.16 0.26 1.23 2.96 -1.26 -4.73 118.68 122.66 1o8r s LEU 21 Ca 0.06 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.24 1o8r s LEU 21 Cb -0.15 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.45 1o8r s LEU 21 CO 0.05 0.23 0.22 0.00 -1.32 0.00 0.00 176.35 175.53 1o8r s GLN 22 N 0.07 1.48 -0.83 1.98 -2.07 -1.26 -5.03 119.66 114.00 1o8r s GLN 22 Ca 0.09 -1.79 -0.22 0.00 -1.82 0.00 0.00 55.36 51.61 1o8r s GLN 22 Cb -0.11 0.31 -0.20 0.00 -1.09 0.00 0.00 33.01 31.91 1o8r s GLN 22 CO -0.00 -0.53 2.14 -1.91 -1.32 0.00 0.00 175.29 173.67 1o8r n GLU 23 N -0.44 0.00 -1.88 9.60 4.07 -1.26 -4.77 120.64 125.96 1o8r n GLU 23 Ca 0.04 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.73 1o8r n GLU 23 Cb 0.64 -1.16 -0.01 0.00 -0.06 0.00 0.00 31.44 30.85 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1o8r s PRO 24 N 7.12 4.18 0.00 5.31 0.02 -1.26 -4.85 135.00 145.51 1o8r s PRO 24 Ca 1.12 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.62 1o8r s PRO 24 Cb -0.97 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 30.53 1o8r s PRO 24 CO 0.42 -0.48 0.00 1.04 -0.33 0.00 0.00 177.00 177.65 1o8r n GLN 25 N 1.08 0.00 -3.95 5.54 6.02 -1.26 -5.05 117.38 119.76 1o8r n GLN 25 Ca 0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.70 1o8r n GLN 25 Cb 0.39 -0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.65 1o8r n GLN 25 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1o8r n GLU 26 N -2.49 -1.77 0.07 -1.09 2.13 -1.26 -4.86 120.64 111.37 1o8r n GLU 26 Ca 0.00 0.31 -0.13 0.00 0.66 0.00 0.00 57.16 58.00 1o8r n GLU 26 Cb 0.00 -3.88 -0.08 0.00 0.27 0.00 0.00 31.44 27.75 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1o8r h PRO 27 N -2.01 -0.11 -3.68 5.31 0.13 -2.01 -3.47 132.00 126.17 1o8r h PRO 27 Ca -0.66 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.38 1o8r h PRO 27 Cb 1.38 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.46 1o8r h PRO 27 CO 0.57 0.02 -0.09 1.03 -0.23 0.00 0.00 178.00 179.30 1o8r s ARG 28 N -5.78 1.68 0.12 0.86 0.52 -1.26 -5.11 118.95 109.97 1o8r s ARG 28 Ca -0.14 -1.36 -0.34 0.00 -0.52 0.00 0.00 55.73 53.37 1o8r s ARG 28 Cb 0.05 0.48 -0.14 0.00 0.52 0.00 0.00 34.95 35.86 1o8r s ARG 28 CO 0.65 -0.71 1.58 0.28 0.02 0.00 0.00 175.30 177.13 1o8r n VAL 29 N -0.43 0.07 -2.54 3.52 0.31 -1.26 -4.88 118.33 113.12 1o8r n VAL 29 Ca -0.02 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1o8r n VAL 29 Cb 0.62 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 32.04 1o8r n VAL 29 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1o8r s GLY 30 N 1.23 1.22 0.43 2.92 0.00 -1.26 -4.87 107.32 106.99 1o8r s GLY 30 Ca 0.81 -0.45 0.12 0.00 0.00 0.00 0.00 44.72 45.20 1o8r s GLY 30 CO 0.41 2.52 2.00 0.50 0.00 0.00 0.00 173.10 178.52 1o8r h LYS 31 N 9.65 0.14 -5.47 2.90 1.57 -2.06 -3.41 116.57 119.89 1o8r h LYS 31 Ca -0.24 -0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 57.90 1o8r h LYS 31 Cb 1.07 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.26 1o8r h LYS 31 CO 1.13 0.24 -0.43 -0.51 -0.57 0.00 0.00 179.45 179.31 1o8r s LEU 32 N -8.85 4.28 -0.32 2.94 1.43 -1.26 -4.95 118.68 111.95 1o8r s LEU 32 Ca -0.05 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 1o8r s LEU 32 Cb 0.16 -2.18 0.18 0.00 0.03 0.00 0.00 46.19 44.38 1o8r s LEU 32 CO 0.71 0.24 1.22 -2.11 0.23 0.00 0.00 176.35 176.63 1o8r n ARG 33 N 2.99 0.17 0.00 1.70 1.85 -1.26 -5.05 116.66 117.06 1o8r n ARG 33 Ca -0.16 -0.71 0.00 0.00 -1.00 0.00 0.00 57.85 55.98 1o8r n ARG 33 Cb 0.53 -0.08 0.00 0.00 -1.05 0.00 0.00 32.46 31.86 1o8r n ARG 33 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1o8r n ASN 34 N -0.05 0.00 -4.51 2.89 3.02 -1.25 -4.42 115.26 110.94 1o8r n ASN 34 Ca -0.18 0.10 -0.12 0.00 -0.03 0.00 0.00 54.58 54.35 1o8r n ASN 34 Cb 0.70 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 39.29 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 -2.34 0.79 -1.90 3.10 3.72 -1.26 -4.17 117.46 115.40 1o8r n PHE 35 Ca 0.00 -0.14 -0.30 0.00 -0.05 0.00 0.00 57.45 56.96 1o8r n PHE 35 Cb 0.00 -2.34 0.04 0.00 -0.94 0.00 0.00 39.48 36.24 1o8r n PHE 35 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1o8r s ALA 36 N 15.24 2.93 -1.64 4.37 0.00 -1.26 -4.90 121.76 136.50 1o8r s ALA 36 Ca 0.72 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1o8r s ALA 36 Cb -0.05 -3.02 0.28 0.00 0.00 0.00 0.00 23.12 20.34 1o8r s ALA 36 CO 0.16 -1.08 0.92 -0.35 0.00 0.00 0.00 175.76 175.42 1o8r n PRO 37 N -2.97 0.11 -1.58 0.00 -0.05 -1.26 -4.94 135.00 124.31 1o8r n PRO 37 Ca 0.07 0.15 0.00 0.00 -0.05 0.00 0.00 63.50 63.67 1o8r n PRO 37 Cb 0.57 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.52 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 -1.18 -5.10 -0.70 0.52 5.41 -1.26 -4.90 119.36 112.14 1o8r n ILE 38 Ca 0.03 2.29 -0.30 0.00 1.00 0.00 0.00 62.75 65.76 1o8r n ILE 38 Cb 0.03 -3.12 0.18 0.00 -0.71 0.00 0.00 39.64 36.02 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1o8r s PRO 39 N -2.90 0.66 0.00 0.38 0.02 -1.26 -4.71 135.00 127.19 1o8r s PRO 39 Ca 0.00 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.38 1o8r s PRO 39 Cb 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.82 1o8r s PRO 39 CO 0.00 -2.81 0.00 0.41 -0.33 0.00 0.00 177.00 174.27 1o8r n GLY 40 N 0.23 0.09 2.65 0.52 0.00 -1.26 -5.06 105.19 102.36 1o8r n GLY 40 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1o8r n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1o8r n GLU 41 N 0.00 2.22 -1.72 1.61 -0.58 -1.26 -5.06 120.64 115.85 1o8r n GLU 41 Ca 0.00 -4.59 -0.42 0.00 -0.42 0.00 0.00 57.16 51.72 1o8r n GLU 41 Cb 0.00 -2.28 -0.03 0.00 -0.57 0.00 0.00 31.44 28.56 1o8r n GLU 41 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1o8r s PRO 42 N -2.01 3.72 0.00 3.49 0.05 -1.26 -4.96 135.00 134.03 1o8r s PRO 42 Ca 0.33 2.25 0.02 0.00 0.05 0.00 0.00 61.00 63.64 1o8r s PRO 42 Cb 0.06 -4.22 -0.01 0.00 0.05 0.00 0.00 34.50 30.38 1o8r s PRO 42 CO -0.09 -1.43 -0.05 0.08 0.05 0.00 0.00 177.00 175.56 1o8r s VAL 43 N 5.99 0.39 0.00 -0.36 1.01 -1.26 -4.95 120.40 121.21 1o8r s VAL 43 Ca 0.90 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.54 1o8r s VAL 43 Cb -0.36 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.66 1o8r s VAL 43 CO 0.37 0.02 0.00 0.52 0.00 0.00 0.00 175.10 176.01 1o8r n VAL 44 N 2.71 0.00 0.31 2.92 0.31 -1.26 -4.82 118.33 118.51 1o8r n VAL 44 Ca -0.14 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.38 1o8r n VAL 44 Cb 0.58 0.00 1.03 0.00 -0.91 0.00 0.00 33.84 34.53 1o8r n VAL 44 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1o8r h PRO 45 N 0.00 0.00 0.00 5.55 0.10 -1.93 -3.25 132.00 132.47 1o8r h PRO 45 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.10 1o8r h PRO 45 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.10 1o8r h PRO 45 CO 0.00 0.00 0.00 -0.89 0.10 0.00 0.00 178.00 177.21 1o8r n ILE 46 N -2.90 0.00 0.00 4.15 5.41 -1.26 -5.02 119.36 119.74 1o8r n ILE 46 Ca -0.03 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.95 1o8r n ILE 46 Cb 0.14 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 1o8r n ILE 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1o8r n LEU 47 N -1.54 0.00 -2.84 1.39 7.94 -1.23 -5.06 117.00 115.67 1o8r n LEU 47 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1o8r n LEU 47 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1o8r n LEU 47 CO 0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 177.39 175.96 1o8r h SER 49 N 3.70 0.51 -3.67 0.00 4.64 -1.95 -3.37 113.55 113.40 1o8r h SER 49 Ca 0.00 0.08 -0.56 0.00 -0.47 0.00 0.00 61.79 60.84 1o8r h SER 49 Cb 0.64 -0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.65 1o8r h SER 49 CO 0.00 0.24 0.90 0.20 -0.87 0.00 0.00 176.83 177.30 1o8r s ASN 50 N -5.45 6.65 0.04 4.97 0.02 -1.26 -4.86 114.94 115.05 1o8r s ASN 50 Ca -0.12 0.50 0.03 0.00 -1.02 0.00 0.00 52.86 52.25 1o8r s ASN 50 Cb 0.21 -2.54 0.14 0.00 0.02 0.00 0.00 41.25 39.07 1o8r s ASN 50 CO 0.78 -1.21 1.04 -2.65 0.02 0.00 0.00 177.10 175.08 1o8r n PRO 51 N 7.72 0.02 -2.77 -0.60 -0.01 -1.26 -2.13 135.00 135.96 1o8r n PRO 51 Ca 0.12 0.48 -0.03 0.00 -0.01 0.00 0.00 63.50 64.05 1o8r n PRO 51 Cb 0.49 -1.60 0.04 0.00 -0.01 0.00 0.00 33.50 32.42 1o8r n PRO 51 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 1o8r n ASN 52 N -1.55 1.60 -4.16 2.55 3.02 -1.26 -5.08 115.26 110.38 1o8r n ASN 52 Ca -0.00 -2.26 -0.30 0.00 -0.03 0.00 0.00 54.58 51.99 1o8r n ASN 52 Cb 0.05 -0.49 0.18 0.00 -0.61 0.00 0.00 39.78 38.91 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1o8r s PHE 53 N -3.61 1.58 -0.64 3.10 -0.71 -0.91 -4.77 117.98 112.02 1o8r s PHE 53 Ca 0.28 0.38 -0.25 0.00 -1.04 0.00 0.00 56.93 56.30 1o8r s PHE 53 Cb 0.36 -3.98 -0.25 0.00 -1.21 0.00 0.00 43.02 37.95 1o8r s PHE 53 CO -0.02 -2.73 1.81 -2.30 -1.34 0.00 0.00 175.22 170.64 1o8r n PRO 54 N -3.86 0.05 -0.53 1.99 -0.01 -1.26 -4.64 135.00 126.74 1o8r n PRO 54 Ca 0.14 -1.30 0.43 0.00 -0.01 0.00 0.00 63.50 62.77 1o8r n PRO 54 Cb 0.60 -3.18 0.66 0.00 -0.01 0.00 0.00 33.50 31.57 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 7.61 0.00 0.27 -0.52 2.13 -1.26 0.25 120.64 129.12 1o8r n GLU 55 Ca 0.38 1.01 0.11 0.00 0.66 0.00 0.00 57.16 59.31 1o8r n GLU 55 Cb 0.45 -2.39 0.59 0.00 0.27 0.00 0.00 31.44 30.36 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 -0.08 5.31 5.08 -1.93 1.97 114.58 124.93 1o8r h GLU 56 Ca 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1o8r h GLU 56 Cb 3.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.59 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 -2.56 1.11 -0.36 1.33 4.77 0.68 -4.31 117.00 117.67 1o8r n LEU 57 Ca -0.01 -0.44 0.07 0.00 -0.03 0.00 0.00 56.01 55.60 1o8r n LEU 57 Cb 0.41 -0.05 0.16 0.00 -2.33 0.00 0.00 43.42 41.61 1o8r n LEU 57 CO 0.10 0.22 0.68 1.17 -1.33 0.00 0.00 177.39 178.22 1o8r n LYS 58 N -0.07 -0.09 -0.33 3.23 3.00 0.67 0.14 118.16 124.70 1o8r n LYS 58 Ca 0.17 1.55 0.04 0.00 -0.00 0.00 0.00 58.31 60.07 1o8r n LYS 58 Cb 0.26 -2.34 0.18 0.00 0.00 0.00 0.00 35.03 33.14 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 0.94 -0.72 1.64 0.10 -1.81 -1.12 132.00 131.03 1o8r h PRO 59 Ca 0.49 -0.06 -0.01 0.00 0.10 0.00 0.00 66.00 66.53 1o8r h PRO 59 Cb 0.79 -0.21 -0.03 0.00 0.10 0.00 0.00 31.00 31.64 1o8r h PRO 59 CO -1.02 0.62 0.41 -0.07 0.10 0.00 0.00 178.00 178.04 1o8r h LEU 60 N 0.97 0.87 -2.14 2.35 4.07 0.92 -1.18 115.31 121.16 1o8r h LEU 60 Ca 0.43 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 58.31 1o8r h LEU 60 Cb 0.32 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 1o8r h LEU 60 CO -0.22 0.69 -0.07 0.00 -1.08 0.00 0.00 178.44 177.75 1o8r n LYS 62 N -3.76 2.83 -4.17 0.00 5.02 -0.47 -4.52 118.16 113.08 1o8r n LYS 62 Ca -0.02 -2.58 -0.16 0.00 -2.02 0.00 0.00 58.31 53.52 1o8r n LYS 62 Cb 0.17 -1.61 -0.13 0.00 -0.02 0.00 0.00 35.03 33.44 1o8r n LYS 62 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1o8r s GLU 63 N -1.21 0.66 0.07 1.97 -1.05 -0.68 -5.00 118.70 113.46 1o8r s GLU 63 Ca 0.48 -0.69 0.09 0.00 -0.15 0.00 0.00 54.97 54.70 1o8r s GLU 63 Cb 0.26 -0.56 0.42 0.00 -0.44 0.00 0.00 34.13 33.81 1o8r s GLU 63 CO 0.31 0.13 1.28 -0.35 0.95 0.00 0.00 175.26 177.57 1o8r n PRO 64 N 1.81 0.04 0.17 -4.83 -0.05 -1.26 -1.89 135.00 128.99 1o8r n PRO 64 Ca -0.20 0.46 0.06 0.00 -0.05 0.00 0.00 63.50 63.77 1o8r n PRO 64 Cb 0.55 -1.61 0.11 0.00 -0.05 0.00 0.00 33.50 32.51 1o8r n PRO 64 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 175.50 174.54 1o8r h ASN 65 N 0.00 0.00 -1.01 3.54 2.35 -1.95 -3.26 115.58 115.25 1o8r h ASN 65 Ca 0.00 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.99 1o8r h ASN 65 Cb 0.09 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.35 1o8r h ASN 65 CO 0.00 0.35 0.61 0.00 -1.65 0.00 0.00 177.43 176.74 1o8r h ALA 66 N 1.65 1.85 -0.58 -0.83 0.00 -1.46 0.29 119.26 120.18 1o8r h ALA 66 Ca -0.00 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1o8r h ALA 66 Cb 1.22 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1o8r h ALA 66 CO 0.05 -0.29 0.31 1.96 0.00 0.00 0.00 179.25 181.27 1o8r h GLN 67 N 0.58 0.58 0.04 0.00 4.20 -1.79 1.08 115.11 119.80 1o8r h GLN 67 Ca 0.62 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 59.07 1o8r h GLN 67 Cb 1.21 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.85 1o8r h GLN 67 CO -0.42 0.38 -1.04 0.93 -0.67 0.00 0.00 178.83 178.01 1o8r h GLU 68 N 0.59 0.11 0.06 1.46 4.39 -1.00 -3.24 114.58 116.95 1o8r h GLU 68 Ca 0.26 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1o8r h GLU 68 Cb 0.14 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1o8r h GLU 68 CO -0.16 1.05 -0.03 0.82 -1.16 0.00 0.00 179.01 179.52 1o8r h ILE 69 N 0.04 1.08 -0.24 3.13 2.04 -0.04 -3.00 117.51 120.51 1o8r h ILE 69 Ca -0.05 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.29 1o8r h ILE 69 Cb 1.77 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 39.75 1o8r h ILE 69 CO 0.15 0.33 -0.26 0.25 0.00 0.00 0.00 178.15 178.62 1o8r h LEU 70 N -0.90 -0.88 -0.33 1.44 7.12 0.11 0.62 115.31 122.48 1o8r h LEU 70 Ca -0.01 0.12 0.07 0.00 0.13 0.00 0.00 57.88 58.19 1o8r h LEU 70 Cb 0.60 0.37 -0.08 0.00 -0.53 0.00 0.00 40.66 41.02 1o8r h LEU 70 CO 0.01 -0.17 -0.33 -0.61 -0.13 0.00 0.00 178.44 177.21 1o8r h GLN 71 N -0.15 -0.29 0.15 1.25 4.15 -1.71 -0.78 115.11 117.74 1o8r h GLN 71 Ca 0.04 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.50 1o8r h GLN 71 Cb 0.26 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1o8r h GLN 71 CO -0.30 -0.19 -0.30 0.00 -1.93 0.00 0.00 178.83 176.10 1o8r h ARG 72 N -0.30 -0.53 -0.60 1.69 3.08 -1.20 -1.40 114.38 115.13 1o8r h ARG 72 Ca 0.15 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.35 1o8r h ARG 72 Cb 0.54 0.12 -0.12 0.00 0.08 0.00 0.00 29.97 30.60 1o8r h ARG 72 CO -0.49 -0.35 -0.19 -0.07 -1.07 0.00 0.00 179.97 177.80 1o8r h LEU 73 N -0.55 -0.68 -0.34 3.04 3.38 0.87 0.06 115.31 121.10 1o8r h LEU 73 Ca 0.02 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.23 1o8r h LEU 73 Cb 0.56 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 1o8r h LEU 73 CO -0.16 -0.23 0.08 -0.33 0.09 0.00 0.00 178.44 177.90 1o8r h GLU 74 N -0.04 0.20 -0.10 1.13 5.08 -0.63 0.11 114.58 120.33 1o8r h GLU 74 Ca 0.28 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1o8r h GLU 74 Cb 0.47 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 1o8r h GLU 74 CO -0.64 0.13 -0.21 1.49 -1.00 0.00 0.00 179.01 178.79 1o8r h GLU 75 N 0.20 -0.27 -0.44 2.33 4.81 0.06 0.32 114.58 121.59 1o8r h GLU 75 Ca 0.16 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1o8r h GLU 75 Cb 0.17 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1o8r h GLU 75 CO -0.20 -0.18 0.29 0.82 -0.73 0.00 0.00 179.01 179.02 1o8r h ILE 76 N -0.28 1.11 -0.56 2.32 2.04 -0.83 0.17 117.51 121.48 1o8r h ILE 76 Ca 0.09 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.86 1o8r h ILE 76 Cb 0.41 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1o8r h ILE 76 CO -0.27 0.11 0.38 0.00 0.00 0.00 0.00 178.15 178.37 1o8r h ALA 77 N 1.73 2.11 -0.48 1.87 0.00 0.13 -0.46 119.26 124.16 1o8r h ALA 77 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1o8r h ALA 77 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1o8r h ALA 77 CO -0.04 -0.24 0.14 1.49 0.00 0.00 0.00 179.25 180.61 1o8r h GLU 78 N 0.31 0.76 -3.61 0.00 4.81 -0.28 -3.41 114.58 113.16 1o8r h GLU 78 Ca 0.26 -0.17 -0.16 0.00 -0.13 0.00 0.00 59.36 59.16 1o8r h GLU 78 Cb 0.61 -0.11 -0.22 0.00 0.63 0.00 0.00 28.75 29.66 1o8r h GLU 78 CO -0.06 0.72 -0.57 0.34 -0.73 0.00 0.00 179.01 178.72 1o8r s ASP 79 N -6.07 0.04 0.09 1.04 -1.08 -0.18 -3.82 116.67 106.70 1o8r s ASP 79 Ca -0.13 -0.18 -0.30 0.00 -0.52 0.00 0.00 52.55 51.42 1o8r s ASP 79 Cb 0.11 0.19 -0.13 0.00 -1.46 0.00 0.00 42.92 41.63 1o8r s ASP 79 CO 0.78 -0.27 1.62 -0.65 0.52 0.00 0.00 175.17 177.17 1o8r h PRO 80 N 4.77 -0.67 0.00 4.34 0.10 -1.87 -3.41 132.00 135.26 1o8r h PRO 80 Ca -0.30 0.05 0.00 0.00 0.10 0.00 0.00 66.00 65.85 1o8r h PRO 80 Cb 1.20 0.15 0.00 0.00 0.10 0.00 0.00 31.00 32.45 1o8r h PRO 80 CO 0.41 -0.45 0.00 0.41 0.10 0.00 0.00 178.00 178.48 1o8r n GLY 81 N -1.44 1.01 0.16 -0.55 0.00 -1.26 -3.24 105.19 99.86 1o8r n GLY 81 Ca -0.10 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.25 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 0.47 0.18 2.61 1.35 -1.96 -3.35 112.91 112.21 1o8r h THR 82 Ca 0.00 -1.70 0.01 0.00 -0.55 0.00 0.00 66.41 64.17 1o8r h THR 82 Cb 0.00 2.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 1o8r h THR 82 CO 0.00 0.27 -0.25 0.00 -0.25 0.00 0.00 175.52 175.29 1o8r h GLU 84 N -0.49 0.00 -0.63 0.00 4.81 -1.69 0.06 114.58 116.64 1o8r h GLU 84 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1o8r h GLU 84 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1o8r h GLU 84 CO -0.10 0.00 0.00 0.44 -0.73 0.00 0.00 179.01 178.62 1o8r n ILE 85 N -4.09 1.84 -1.19 2.32 -5.35 -0.57 -4.91 119.36 107.41 1o8r n ILE 85 Ca 0.01 -1.22 -0.10 0.00 -0.27 0.00 0.00 62.75 61.16 1o8r n ILE 85 Cb 0.25 0.12 -0.04 0.00 -1.74 0.00 0.00 39.64 38.23 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 0.75 1.37 -2.78 0.00 0.00 0.24 -4.76 120.51 115.33 1o8r n ALA 87 Ca -0.10 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1o8r n ALA 87 Cb 0.46 -1.24 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.21 0.95 -2.00 0.00 1.51 -1.25 -5.00 117.35 108.35 1o8r s TYR 88 Ca 0.03 -1.19 0.15 0.00 -1.01 0.00 0.00 57.07 55.06 1o8r s TYR 88 Cb 0.07 -0.15 0.92 0.00 -0.11 0.00 0.00 41.96 42.69 1o8r s TYR 88 CO 0.22 -0.98 1.45 0.00 -1.11 0.00 0.00 175.55 175.14 1o8r n ALA 89 N -0.46 2.38 -0.23 3.71 0.00 -1.26 -3.64 120.51 121.01 1o8r n ALA 89 Ca 0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 1o8r n ALA 89 Cb 0.63 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.87 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 3.20 0.84 -3.11 0.00 0.00 -1.92 -3.41 119.26 114.86 1o8r h ALA 90 Ca 0.00 -0.10 -0.64 0.00 0.00 0.00 0.00 54.91 54.17 1o8r h ALA 90 Cb 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 17.79 17.32 1o8r h ALA 90 CO 0.00 0.35 -0.62 0.00 0.00 0.00 0.00 179.25 178.98 1o8r s THR 92 N 1.04 3.47 0.00 0.00 -4.23 -0.80 -4.63 115.64 110.49 1o8r s THR 92 Ca 0.03 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1o8r s THR 92 Cb -0.14 -3.07 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1o8r s THR 92 CO 0.03 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1o8r n GLY 93 N -1.16 0.72 0.00 3.99 0.00 -1.26 -2.86 105.19 104.61 1o8r n GLY 93 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32