#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 4.81 -0.24 3.34 2.01 -1.23 -4.85 115.64 119.49 1o8r s THR 2 Ca 0.00 0.65 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 1o8r s THR 2 Cb 0.00 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1o8r s THR 2 CO 0.00 -0.21 0.42 -0.69 -0.69 0.00 0.00 174.62 173.45 1o8r s VAL 3 N -2.00 5.15 -0.08 3.82 1.01 -0.44 -1.93 120.40 125.94 1o8r s VAL 3 Ca 0.50 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 1o8r s VAL 3 Cb -0.11 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1o8r s VAL 3 CO 0.22 0.17 -0.05 -1.10 0.00 0.00 0.00 175.10 174.34 1o8r s GLN 4 N 1.86 2.88 -0.03 2.72 -0.21 -0.82 -0.23 119.66 125.83 1o8r s GLN 4 Ca 0.18 -0.52 0.11 0.00 0.02 0.00 0.00 55.36 55.15 1o8r s GLN 4 Cb -0.15 -2.66 0.31 0.00 1.00 0.00 0.00 33.01 31.51 1o8r s GLN 4 CO 0.09 0.63 1.26 -0.25 -2.12 0.00 0.00 175.29 174.90 1o8r n ASP 5 N 2.33 2.99 0.00 5.90 8.00 -1.25 -4.81 116.55 129.70 1o8r n ASP 5 Ca -0.18 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.16 1o8r n ASP 5 Cb 0.53 -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 0.27 -0.61 0.56 0.44 0.00 -1.26 -4.94 105.19 99.64 1o8r n GLY 6 Ca 0.12 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.42 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 1.63 -4.43 1.61 3.02 -1.26 -4.87 115.26 110.97 1o8r n ASN 7 Ca 0.00 -1.91 -0.23 0.00 -0.03 0.00 0.00 54.58 52.41 1o8r n ASN 7 Cb 0.00 -0.18 -0.10 0.00 -0.61 0.00 0.00 39.78 38.89 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 -1.64 2.14 -0.23 3.10 0.08 -1.26 -5.12 117.98 115.05 1o8r s PHE 8 Ca 0.24 -0.39 -0.07 0.00 0.12 0.00 0.00 56.93 56.83 1o8r s PHE 8 Cb 0.13 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 1o8r s PHE 8 CO 0.17 0.59 0.07 0.45 -0.10 0.00 0.00 175.22 176.40 1o8r s SER 9 N -3.29 5.28 -0.10 1.36 0.15 -1.26 -3.79 113.70 112.05 1o8r s SER 9 Ca 0.26 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.83 1o8r s SER 9 Cb -0.05 -1.93 -0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1o8r s SER 9 CO 0.12 0.04 -0.23 -0.36 1.20 0.00 0.00 173.24 174.01 1o8r s PHE 10 N 1.20 2.58 0.89 3.44 0.08 0.68 -4.97 117.98 121.89 1o8r s PHE 10 Ca 0.04 -0.97 -0.14 0.00 0.12 0.00 0.00 56.93 55.99 1o8r s PHE 10 Cb -0.14 -1.72 0.14 0.00 -0.57 0.00 0.00 43.02 40.72 1o8r s PHE 10 CO 0.03 -0.37 1.21 -1.12 -0.10 0.00 0.00 175.22 174.87 1o8r s SER 11 N 0.30 3.75 0.00 1.36 0.01 -1.26 -1.33 113.70 116.53 1o8r s SER 11 Ca -0.17 0.65 0.23 0.00 1.31 0.00 0.00 55.95 57.98 1o8r s SER 11 Cb -0.17 -1.02 0.18 0.00 0.21 0.00 0.00 66.02 65.22 1o8r s SER 11 CO 0.08 -2.37 1.20 0.18 0.41 0.00 0.00 173.24 172.74 1o8r n LEU 12 N -3.60 1.68 0.00 2.44 4.77 -1.26 -4.40 117.00 116.63 1o8r n LEU 12 Ca 0.10 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1o8r n LEU 12 Cb 0.60 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1o8r n LEU 12 CO 0.53 0.32 0.12 -0.62 -1.33 0.00 0.00 177.39 176.41 1o8r n GLU 13 N -0.30 0.00 -0.37 3.23 1.02 -1.26 -1.29 120.64 121.67 1o8r n GLU 13 Ca 0.10 0.34 0.04 0.00 -0.02 0.00 0.00 57.16 57.61 1o8r n GLU 13 Cb 0.43 -0.98 0.11 0.00 -0.02 0.00 0.00 31.44 30.97 1o8r n GLU 13 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1o8r n SER 14 N -1.52 -0.46 -0.11 1.62 7.64 -1.26 0.35 113.62 119.88 1o8r n SER 14 Ca 0.00 1.72 -0.10 0.00 1.01 0.00 0.00 58.87 61.50 1o8r n SER 14 Cb 0.00 -0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 62.70 1o8r n SER 14 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1o8r h VAL 15 N 0.00 1.20 0.29 0.44 -1.51 -1.77 1.14 116.25 116.04 1o8r h VAL 15 Ca 0.43 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1o8r h VAL 15 Cb 0.68 1.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 1o8r h VAL 15 CO -1.01 0.22 -0.37 0.50 -1.23 0.00 0.00 177.57 175.68 1o8r h LYS 16 N 0.38 -0.69 -0.01 5.19 3.64 0.13 0.10 116.57 125.31 1o8r h LYS 16 Ca 0.11 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1o8r h LYS 16 Cb 0.24 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1o8r h LYS 16 CO -0.00 -0.46 0.00 1.63 -2.27 0.00 0.00 179.45 178.35 1o8r n LYS 17 N -5.47 1.02 -0.18 1.90 5.02 0.78 -3.91 118.16 117.32 1o8r n LYS 17 Ca -0.09 -0.03 0.14 0.00 -2.02 0.00 0.00 58.31 56.31 1o8r n LYS 17 Cb 0.37 -1.09 0.47 0.00 -0.02 0.00 0.00 35.03 34.76 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 0.05 0.45 -0.83 -0.35 5.85 0.40 -0.64 115.31 120.24 1o8r h LEU 18 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1o8r h LEU 18 Cb 0.01 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1o8r h LEU 18 CO 0.00 0.24 0.52 0.50 -0.34 0.00 0.00 178.44 179.36 1o8r h LYS 19 N 0.48 1.11 -4.56 1.25 1.63 -1.73 -3.34 116.57 111.40 1o8r h LYS 19 Ca 0.38 -0.09 -0.72 0.00 -0.85 0.00 0.00 60.65 59.37 1o8r h LYS 19 Cb 0.77 -0.24 -0.21 0.00 -0.60 0.00 0.00 32.23 31.96 1o8r h LYS 19 CO -0.13 0.76 0.14 0.34 -3.45 0.00 0.00 179.45 177.11 1o8r s ASP 20 N -6.01 6.29 0.21 4.20 2.15 -0.25 -4.89 116.67 118.37 1o8r s ASP 20 Ca -0.13 -1.67 -0.03 0.00 0.43 0.00 0.00 52.55 51.16 1o8r s ASP 20 Cb 0.16 -2.29 0.16 0.00 -0.30 0.00 0.00 42.92 40.65 1o8r s ASP 20 CO 0.80 -1.03 1.56 0.25 -0.17 0.00 0.00 175.17 176.58 1o8r h LEU 21 N 9.66 0.64 0.00 -1.34 5.85 -1.74 -3.44 115.31 124.93 1o8r h LEU 21 Ca -0.21 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1o8r h LEU 21 Cb 1.08 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1o8r h LEU 21 CO 1.06 0.99 0.00 0.00 -0.34 0.00 0.00 178.44 180.15 1o8r n GLN 22 N -4.01 -0.54 -1.46 1.25 6.02 -1.26 -4.82 117.38 112.55 1o8r n GLN 22 Ca -0.02 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.15 1o8r n GLN 22 Cb 0.54 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.72 1o8r n GLN 22 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1o8r n GLU 23 N -1.23 -3.27 -0.94 -1.09 -0.58 -1.26 -4.80 120.64 107.46 1o8r n GLU 23 Ca 0.00 2.61 -0.33 0.00 -0.42 0.00 0.00 57.16 59.02 1o8r n GLU 23 Cb 0.00 -3.87 0.14 0.00 -0.57 0.00 0.00 31.44 27.14 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1o8r n PRO 24 N -4.35 -0.07 0.15 3.49 -0.01 -1.26 -4.90 135.00 128.05 1o8r n PRO 24 Ca -0.08 0.05 0.01 0.00 -0.01 0.00 0.00 63.50 63.47 1o8r n PRO 24 Cb 0.69 -2.32 0.30 0.00 -0.01 0.00 0.00 33.50 32.17 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 -1.26 0.10 -2.09 -0.52 4.20 -1.90 -3.32 115.11 110.31 1o8r h GLN 25 Ca -0.45 -0.04 -0.57 0.00 0.06 0.00 0.00 58.65 57.65 1o8r h GLN 25 Cb 1.29 -0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.66 1o8r h GLN 25 CO 0.43 0.47 -0.89 0.39 -0.67 0.00 0.00 178.83 178.55 1o8r n GLU 26 N -4.07 1.61 -0.98 1.46 4.71 -1.26 -4.67 120.64 117.43 1o8r n GLU 26 Ca -0.02 -3.90 -0.32 0.00 -0.01 0.00 0.00 57.16 52.92 1o8r n GLU 26 Cb 0.43 -1.73 0.13 0.00 -1.01 0.00 0.00 31.44 29.27 1o8r n GLU 26 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1o8r s PRO 27 N -1.97 1.55 0.26 3.49 0.05 -1.25 -4.89 135.00 132.24 1o8r s PRO 27 Ca 0.38 1.50 -0.30 0.00 0.05 0.00 0.00 61.00 62.64 1o8r s PRO 27 Cb 0.19 -1.79 -0.14 0.00 0.05 0.00 0.00 34.50 32.81 1o8r s PRO 27 CO -0.07 -2.23 1.16 0.54 0.05 0.00 0.00 177.00 176.44 1o8r n ARG 28 N -3.76 1.55 -4.33 4.56 5.12 -1.26 -4.98 116.66 113.56 1o8r n ARG 28 Ca 0.11 0.55 -0.21 0.00 -1.93 0.00 0.00 57.85 56.38 1o8r n ARG 28 Cb 0.52 -2.03 -0.13 0.00 -1.16 0.00 0.00 32.46 29.66 1o8r n ARG 28 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1o8r s VAL 29 N -0.70 1.26 0.51 1.55 0.11 -1.26 -5.15 120.40 116.72 1o8r s VAL 29 Ca 0.63 -1.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.42 1o8r s VAL 29 Cb -0.70 -1.15 0.12 0.00 -1.53 0.00 0.00 36.38 33.11 1o8r s VAL 29 CO 0.57 -0.04 0.69 0.61 -3.33 0.00 0.00 175.10 173.60 1o8r n GLY 30 N 1.63 -1.31 0.22 6.54 0.00 -1.26 -4.93 105.19 106.08 1o8r n GLY 30 Ca -0.19 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.20 1o8r n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1o8r h LYS 31 N 0.00 0.00 -5.91 1.61 1.57 -2.06 -3.42 116.57 108.36 1o8r h LYS 31 Ca -0.22 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.88 1o8r h LYS 31 Cb 0.61 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.80 1o8r h LYS 31 CO 0.16 0.20 -0.59 -0.51 -0.57 0.00 0.00 179.45 178.14 1o8r s LEU 32 N -8.37 3.78 -0.25 2.94 1.43 -1.26 -5.09 118.68 111.86 1o8r s LEU 32 Ca -0.04 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 1o8r s LEU 32 Cb 0.15 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 44.53 1o8r s LEU 32 CO 0.68 0.37 0.03 0.00 0.23 0.00 0.00 176.35 177.67 1o8r s ARG 33 N -1.02 0.97 0.20 1.70 1.70 -1.26 -5.08 118.95 116.17 1o8r s ARG 33 Ca 0.15 -0.87 0.01 0.00 -0.47 0.00 0.00 55.73 54.54 1o8r s ARG 33 Cb -0.12 -2.25 -0.05 0.00 -0.57 0.00 0.00 34.95 31.97 1o8r s ARG 33 CO 0.04 -0.76 0.07 0.54 -1.08 0.00 0.00 175.30 174.11 1o8r s ASN 34 N 1.60 0.84 -0.13 -2.89 4.22 -1.25 -4.35 114.94 112.99 1o8r s ASN 34 Ca 0.02 -1.30 -0.01 0.00 -2.14 0.00 0.00 52.86 49.43 1o8r s ASN 34 Cb -0.18 0.22 -0.02 0.00 1.28 0.00 0.00 41.25 42.55 1o8r s ASN 34 CO -0.14 -0.71 -0.10 0.12 -2.04 0.00 0.00 177.10 174.23 1o8r s PHE 35 N -3.86 2.87 0.03 1.54 5.36 -1.18 -4.90 117.98 117.84 1o8r s PHE 35 Ca 0.32 -0.51 -0.27 0.00 -0.96 0.00 0.00 56.93 55.51 1o8r s PHE 35 Cb 0.07 -1.87 -0.17 0.00 -0.34 0.00 0.00 43.02 40.71 1o8r s PHE 35 CO 0.09 -0.14 1.36 0.00 -1.46 0.00 0.00 175.22 175.07 1o8r h ALA 36 N 6.63 -0.50 -3.00 11.12 0.00 -1.95 -3.44 119.26 128.11 1o8r h ALA 36 Ca -0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1o8r h ALA 36 Cb 1.20 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1o8r h ALA 36 CO 0.58 -0.66 0.00 -2.30 0.00 0.00 0.00 179.25 176.86 1o8r n PRO 37 N -5.21 2.01 -3.77 0.00 -0.02 -1.26 -5.07 135.00 121.68 1o8r n PRO 37 Ca -0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.25 1o8r n PRO 37 Cb 0.27 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.67 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 0.07 0.97 4.25 1.09 -1.26 -5.12 121.20 121.20 1o8r s ILE 38 Ca 0.00 -0.54 -0.12 0.00 -1.10 0.00 0.00 60.65 58.89 1o8r s ILE 38 Cb 0.00 -0.67 0.13 0.00 -1.06 0.00 0.00 42.46 40.86 1o8r s ILE 38 CO 0.00 -0.30 0.87 -2.65 -0.10 0.00 0.00 174.94 172.76 1o8r n PRO 39 N 1.14 -0.74 0.00 2.79 -0.01 -1.26 -4.66 135.00 132.26 1o8r n PRO 39 Ca -0.21 -0.16 0.00 0.00 -0.01 0.00 0.00 63.50 63.12 1o8r n PRO 39 Cb 0.57 -2.17 0.00 0.00 -0.01 0.00 0.00 33.50 31.88 1o8r n PRO 39 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1o8r n GLY 40 N 0.80 1.12 3.46 -1.23 0.00 -1.26 -5.05 105.19 103.02 1o8r n GLY 40 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 3.51 -0.47 1.61 2.02 -1.26 -5.02 118.70 119.09 1o8r s GLU 41 Ca 0.00 -0.60 -0.26 0.00 0.02 0.00 0.00 54.97 54.13 1o8r s GLU 41 Cb 0.00 -3.51 -0.07 0.00 0.10 0.00 0.00 34.13 30.66 1o8r s GLU 41 CO 0.00 -0.32 2.39 -2.14 0.02 0.00 0.00 175.26 175.21 1o8r s PRO 42 N 1.63 2.20 0.31 0.39 0.01 -1.26 -4.79 135.00 133.50 1o8r s PRO 42 Ca 0.05 1.46 0.03 0.00 0.01 0.00 0.00 61.00 62.55 1o8r s PRO 42 Cb -0.16 -4.56 -0.05 0.00 0.01 0.00 0.00 34.50 29.74 1o8r s PRO 42 CO 0.06 -3.17 0.10 0.08 0.01 0.00 0.00 177.00 174.09 1o8r s VAL 43 N 11.83 0.70 -0.27 3.83 1.01 -1.26 -4.88 120.40 131.35 1o8r s VAL 43 Ca 0.98 -2.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 1o8r s VAL 43 Cb -0.19 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1o8r s VAL 43 CO 0.27 0.00 0.20 0.55 0.00 0.00 0.00 175.10 176.12 1o8r n VAL 44 N -0.63 -0.54 -0.47 2.92 3.14 -1.26 -4.60 118.33 116.89 1o8r n VAL 44 Ca -0.01 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.08 1o8r n VAL 44 Cb 0.66 -1.87 0.26 0.00 -1.06 0.00 0.00 33.84 31.83 1o8r n VAL 44 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1o8r n PRO 45 N -1.38 -2.58 -0.33 1.45 -0.04 -1.26 -4.52 135.00 126.34 1o8r n PRO 45 Ca -0.00 -0.72 0.23 0.00 -0.04 0.00 0.00 63.50 62.96 1o8r n PRO 45 Cb 0.51 -2.15 0.45 0.00 -0.04 0.00 0.00 33.50 32.28 1o8r n PRO 45 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1o8r h ILE 46 N -2.73 0.25 -0.69 0.52 2.04 -1.96 2.11 117.51 117.05 1o8r h ILE 46 Ca -0.63 -0.09 -0.28 0.00 1.00 0.00 0.00 64.86 64.86 1o8r h ILE 46 Cb 1.34 -0.02 -0.17 0.00 -0.74 0.00 0.00 36.82 37.23 1o8r h ILE 46 CO 0.49 0.05 0.36 0.18 0.00 0.00 0.00 178.15 179.23 1o8r n LEU 47 N -5.13 5.62 -1.17 1.44 4.77 -1.26 -4.94 117.00 116.33 1o8r n LEU 47 Ca 0.31 -2.95 0.12 0.00 -0.03 0.00 0.00 56.01 53.46 1o8r n LEU 47 Cb 0.97 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1o8r n LEU 47 CO 0.07 0.82 -0.42 0.00 -1.33 0.00 0.00 177.39 176.53 1o8r n SER 49 N -4.04 0.00 -4.61 0.00 2.88 -1.26 -4.39 113.62 102.21 1o8r n SER 49 Ca -0.06 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.05 1o8r n SER 49 Cb 0.52 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 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 -4.10 6.66 0.00 -3.46 -0.87 -1.26 -4.86 114.94 107.05 1o8r s ASN 50 Ca 0.00 0.66 0.07 0.00 -1.57 0.00 0.00 52.86 52.01 1o8r s ASN 50 Cb 0.00 -2.55 0.29 0.00 -0.02 0.00 0.00 41.25 38.97 1o8r s ASN 50 CO 0.00 -1.20 1.18 -0.81 -2.57 0.00 0.00 177.10 173.70 1o8r n PRO 51 N 7.67 0.02 -1.12 -0.60 -0.05 -1.26 -1.91 135.00 137.75 1o8r n PRO 51 Ca 0.13 0.36 0.01 0.00 -0.05 0.00 0.00 63.50 63.94 1o8r n PRO 51 Cb 0.48 -1.50 0.13 0.00 -0.05 0.00 0.00 33.50 32.57 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 -1.46 1.98 -4.13 3.54 3.02 -1.26 -5.01 115.26 111.94 1o8r n ASN 52 Ca 0.02 -3.35 -0.30 0.00 -0.03 0.00 0.00 54.58 50.92 1o8r n ASN 52 Cb 0.07 -0.45 0.19 0.00 -0.61 0.00 0.00 39.78 38.98 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 -2.57 1.58 -0.58 3.10 -0.71 -0.80 -4.79 117.98 113.20 1o8r s PHE 53 Ca 0.38 0.32 -0.26 0.00 -1.04 0.00 0.00 56.93 56.34 1o8r s PHE 53 Cb 0.38 -4.12 -0.26 0.00 -1.21 0.00 0.00 43.02 37.81 1o8r s PHE 53 CO -0.08 -2.67 1.79 -2.30 -1.34 0.00 0.00 175.22 170.62 1o8r n PRO 54 N -3.78 0.05 -0.44 1.99 -0.01 -1.26 -4.65 135.00 126.89 1o8r n PRO 54 Ca 0.15 -1.27 0.39 0.00 -0.01 0.00 0.00 63.50 62.76 1o8r n PRO 54 Cb 0.59 -3.12 0.60 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 7.66 0.01 0.28 -0.52 2.13 -1.26 0.24 120.64 129.17 1o8r n GLU 55 Ca 0.39 1.02 0.12 0.00 0.66 0.00 0.00 57.16 59.34 1o8r n GLU 55 Cb 0.44 -2.44 0.63 0.00 0.27 0.00 0.00 31.44 30.34 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 -0.33 5.31 5.08 -1.97 1.95 114.58 124.62 1o8r h GLU 56 Ca 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1o8r h GLU 56 Cb 3.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.50 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 -2.60 1.76 -0.36 1.33 4.77 0.66 -4.42 117.00 118.13 1o8r n LEU 57 Ca -0.02 -0.88 0.04 0.00 -0.03 0.00 0.00 56.01 55.12 1o8r n LEU 57 Cb 0.39 -0.22 0.11 0.00 -2.33 0.00 0.00 43.42 41.37 1o8r n LEU 57 CO 0.10 0.44 0.63 0.29 -1.33 0.00 0.00 177.39 177.52 1o8r n LYS 58 N 0.46 -0.13 -0.26 3.23 4.76 0.66 0.16 118.16 127.04 1o8r n LYS 58 Ca 0.11 1.52 0.02 0.00 -2.87 0.00 0.00 58.31 57.09 1o8r n LYS 58 Cb 0.28 -2.27 0.15 0.00 -1.84 0.00 0.00 35.03 31.34 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1o8r h PRO 59 N 0.00 0.64 -0.87 1.97 0.10 -1.82 -0.36 132.00 131.67 1o8r h PRO 59 Ca 0.43 -0.04 0.13 0.00 0.10 0.00 0.00 66.00 66.62 1o8r h PRO 59 Cb 0.68 -0.14 -0.09 0.00 0.10 0.00 0.00 31.00 31.55 1o8r h PRO 59 CO -1.00 0.42 0.48 1.25 0.10 0.00 0.00 178.00 179.26 1o8r h LEU 60 N 0.66 0.64 -1.66 2.35 5.85 0.12 0.26 115.31 123.53 1o8r h LEU 60 Ca 0.36 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 59.11 1o8r h LEU 60 Cb 0.36 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1o8r h LEU 60 CO -0.26 0.31 -0.20 0.00 -0.34 0.00 0.00 178.44 177.96 1o8r n LYS 62 N -4.02 1.76 -5.00 0.00 5.02 0.84 -4.76 118.16 112.01 1o8r n LYS 62 Ca -0.02 -1.13 -0.30 0.00 -2.02 0.00 0.00 58.31 54.84 1o8r n LYS 62 Cb 0.27 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.86 1.83 0.52 1.97 -1.05 -0.69 -5.00 118.70 114.41 1o8r s GLU 63 Ca 0.35 -1.02 0.35 0.00 -0.15 0.00 0.00 54.97 54.50 1o8r s GLU 63 Cb 0.19 -1.91 1.72 0.00 -0.44 0.00 0.00 34.13 33.69 1o8r s GLU 63 CO 0.29 0.51 2.05 -1.00 0.95 0.00 0.00 175.26 178.06 1o8r h PRO 64 N 5.05 0.00 0.00 -4.83 0.14 -1.89 -1.75 132.00 128.71 1o8r h PRO 64 Ca -0.45 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.69 1o8r h PRO 64 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.28 1o8r h PRO 64 CO 0.45 0.00 0.00 0.09 0.14 0.00 0.00 178.00 178.68 1o8r n ASN 65 N -2.81 0.39 -0.33 1.44 3.02 -1.26 -3.77 115.26 111.94 1o8r n ASN 65 Ca -0.01 0.54 0.17 0.00 -0.03 0.00 0.00 54.58 55.25 1o8r n ASN 65 Cb 0.15 -0.64 0.37 0.00 -0.61 0.00 0.00 39.78 39.04 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 2.76 1.67 -0.82 5.41 0.00 -1.44 0.27 119.26 127.11 1o8r h ALA 66 Ca 0.00 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1o8r h ALA 66 Cb 0.61 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1o8r h ALA 66 CO 0.00 -0.36 0.49 1.96 0.00 0.00 0.00 179.25 181.34 1o8r h GLN 67 N 0.45 0.86 0.11 0.00 4.20 -1.81 0.34 115.11 119.26 1o8r h GLN 67 Ca 0.63 -0.05 -0.27 0.00 0.06 0.00 0.00 58.65 59.02 1o8r h GLN 67 Cb 1.25 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1o8r h GLN 67 CO -0.53 0.57 -1.21 0.93 -0.67 0.00 0.00 178.83 177.92 1o8r h GLU 68 N 0.89 0.24 -0.13 1.46 5.08 -0.87 -3.30 114.58 117.94 1o8r h GLU 68 Ca 0.37 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1o8r h GLU 68 Cb 0.21 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1o8r h GLU 68 CO -0.19 1.19 -0.09 0.82 -1.00 0.00 0.00 179.01 179.74 1o8r h ILE 69 N 0.07 1.33 -0.17 3.13 2.04 -0.21 -2.99 117.51 120.71 1o8r h ILE 69 Ca -0.12 -1.18 0.03 0.00 1.00 0.00 0.00 64.86 64.59 1o8r h ILE 69 Cb 1.94 1.82 -0.05 0.00 -0.74 0.00 0.00 36.82 39.79 1o8r h ILE 69 CO 0.19 0.34 -0.41 0.25 0.00 0.00 0.00 178.15 178.52 1o8r h LEU 70 N -0.06 -1.34 -0.32 1.44 7.12 -0.46 0.84 115.31 122.53 1o8r h LEU 70 Ca 0.03 0.16 0.07 0.00 0.13 0.00 0.00 57.88 58.27 1o8r h LEU 70 Cb 0.58 0.53 -0.08 0.00 -0.53 0.00 0.00 40.66 41.16 1o8r h LEU 70 CO 0.02 -0.35 -0.30 -0.61 -0.13 0.00 0.00 178.44 177.08 1o8r h GLN 71 N -0.40 -0.26 -0.13 1.25 4.15 -1.64 -1.46 115.11 116.62 1o8r h GLN 71 Ca 0.03 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.52 1o8r h GLN 71 Cb 0.49 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.18 1o8r h GLN 71 CO -0.37 -0.17 -0.25 0.00 -1.93 0.00 0.00 178.83 176.11 1o8r h ARG 72 N -0.27 -0.30 -0.51 1.69 3.08 -1.25 -1.67 114.38 115.15 1o8r h ARG 72 Ca 0.15 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.33 1o8r h ARG 72 Cb 0.52 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 1o8r h ARG 72 CO -0.47 -0.20 -0.03 1.25 -1.07 0.00 0.00 179.97 179.45 1o8r h LEU 73 N -0.31 -0.27 -0.92 3.04 5.85 -0.17 0.24 115.31 122.77 1o8r h LEU 73 Ca 0.10 0.13 0.09 0.00 0.84 0.00 0.00 57.88 59.04 1o8r h LEU 73 Cb 0.46 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 1o8r h LEU 73 CO -0.31 -0.10 0.56 -0.33 -0.34 0.00 0.00 178.44 177.92 1o8r h GLU 74 N 0.09 0.92 0.42 1.25 5.08 -0.51 0.36 114.58 122.19 1o8r h GLU 74 Ca 0.26 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 1o8r h GLU 74 Cb 0.39 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1o8r h GLU 74 CO -0.45 0.61 -0.20 1.49 -1.00 0.00 0.00 179.01 179.46 1o8r h GLU 75 N 0.95 -0.54 -0.94 2.33 4.81 -0.13 -0.38 114.58 120.69 1o8r h GLU 75 Ca 0.43 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.73 1o8r h GLU 75 Cb 0.34 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.79 1o8r h GLU 75 CO -0.23 -0.23 0.61 0.82 -0.73 0.00 0.00 179.01 179.25 1o8r h ILE 76 N -0.87 1.16 0.00 2.32 1.08 -0.96 0.81 117.51 121.05 1o8r h ILE 76 Ca -0.06 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 1o8r h ILE 76 Cb 0.56 -0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.18 1o8r h ILE 76 CO 0.09 0.22 -0.12 0.00 -0.69 0.00 0.00 178.15 177.65 1o8r h ALA 77 N 1.38 1.65 -0.43 1.87 0.00 -0.22 -1.99 119.26 121.53 1o8r h ALA 77 Ca 0.37 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1o8r h ALA 77 Cb -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1o8r h ALA 77 CO -0.12 0.15 -0.04 1.49 0.00 0.00 0.00 179.25 180.73 1o8r h GLU 78 N 0.00 0.72 -3.56 0.00 4.81 0.96 -3.38 114.58 114.13 1o8r h GLU 78 Ca -0.00 -0.20 -0.08 0.00 -0.13 0.00 0.00 59.36 58.95 1o8r h GLU 78 Cb 0.23 -0.08 -0.15 0.00 0.63 0.00 0.00 28.75 29.38 1o8r h GLU 78 CO 0.02 0.76 -0.28 -0.51 -0.73 0.00 0.00 179.01 178.27 1o8r s ASP 79 N -6.68 -0.03 0.00 1.04 1.01 -0.75 -3.12 116.67 108.14 1o8r s ASP 79 Ca -0.09 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.75 1o8r s ASP 79 Cb 0.15 0.37 0.00 0.00 1.01 0.00 0.00 42.92 44.44 1o8r s ASP 79 CO 0.80 -0.71 0.86 -2.65 0.21 0.00 0.00 175.17 173.68 1o8r n PRO 80 N 0.16 0.00 0.00 8.23 -0.02 -1.26 -4.64 135.00 137.47 1o8r n PRO 80 Ca -0.17 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1o8r n PRO 80 Cb 0.61 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1o8r n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1o8r n GLY 81 N -0.68 0.61 0.16 -1.23 0.00 -1.26 -3.29 105.19 99.50 1o8r n GLY 81 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 0.73 -0.10 2.61 1.35 -1.95 -3.31 112.91 112.23 1o8r h THR 82 Ca 0.00 -1.96 0.04 0.00 -0.55 0.00 0.00 66.41 63.95 1o8r h THR 82 Cb 0.00 2.30 -0.05 0.00 -1.73 0.00 0.00 68.15 68.67 1o8r h THR 82 CO 0.00 0.40 -0.24 0.00 -0.25 0.00 0.00 175.52 175.43 1o8r h GLU 84 N -0.32 0.27 -0.68 0.00 4.81 -1.68 -0.62 114.58 116.36 1o8r h GLU 84 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1o8r h GLU 84 Cb 0.46 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1o8r h GLU 84 CO -0.29 0.18 0.00 0.44 -0.73 0.00 0.00 179.01 178.61 1o8r n ILE 85 N -4.48 1.11 -1.10 2.32 -5.35 -0.38 -4.90 119.36 106.57 1o8r n ILE 85 Ca 0.04 -0.97 -0.04 0.00 -0.27 0.00 0.00 62.75 61.51 1o8r n ILE 85 Cb 0.21 0.37 -0.02 0.00 -1.74 0.00 0.00 39.64 38.47 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 0.01 1.00 -2.38 0.00 0.00 -1.11 -3.44 119.26 113.35 1o8r h ALA 87 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 1o8r h ALA 87 Cb 1.05 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1o8r h ALA 87 CO 0.13 0.00 -0.64 -0.47 0.00 0.00 0.00 179.25 178.27 1o8r s TYR 88 N -3.57 1.15 -2.00 0.00 5.04 -1.24 -4.99 117.35 111.75 1o8r s TYR 88 Ca 0.00 -1.17 0.16 0.00 -2.44 0.00 0.00 57.07 53.62 1o8r s TYR 88 Cb 0.09 -0.64 0.94 0.00 0.35 0.00 0.00 41.96 42.69 1o8r s TYR 88 CO 0.34 -0.40 1.41 0.00 -1.34 0.00 0.00 175.55 175.56 1o8r n ALA 89 N -0.24 2.29 -0.25 3.97 0.00 -1.26 -3.46 120.51 121.55 1o8r n ALA 89 Ca -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 1o8r n ALA 89 Cb 0.64 -1.26 0.13 0.00 0.00 0.00 0.00 19.45 18.97 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 3.10 1.19 -2.91 0.00 0.00 -1.93 -3.40 119.26 115.32 1o8r h ALA 90 Ca 0.00 -0.16 -0.66 0.00 0.00 0.00 0.00 54.91 54.10 1o8r h ALA 90 Cb 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 17.79 17.27 1o8r h ALA 90 CO 0.00 0.61 -0.58 0.00 0.00 0.00 0.00 179.25 179.28 1o8r s THR 92 N 1.65 3.53 0.00 0.00 -4.23 -0.81 -4.47 115.64 111.30 1o8r s THR 92 Ca 0.06 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 1o8r s THR 92 Cb -0.16 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1o8r s THR 92 CO 0.06 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1o8r n GLY 93 N -1.57 0.94 0.89 3.99 0.00 -1.26 -3.47 105.19 104.70 1o8r n GLY 93 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32