#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 1.46 -0.24 2.52 2.01 -1.22 -4.82 115.64 115.35 1o8r s THR 2 Ca 0.00 -0.96 -0.27 0.00 0.31 0.00 0.00 61.69 60.77 1o8r s THR 2 Cb 0.00 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1o8r s THR 2 CO 0.00 0.27 0.95 -0.69 -0.69 0.00 0.00 174.62 174.46 1o8r s VAL 3 N -0.62 4.74 -0.11 3.82 1.01 0.25 -2.00 120.40 127.48 1o8r s VAL 3 Ca 0.06 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.84 1o8r s VAL 3 Cb -0.08 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 1o8r s VAL 3 CO 0.01 -0.16 -0.12 -1.58 0.00 0.00 0.00 175.10 173.24 1o8r s GLN 4 N 3.08 3.15 0.00 2.72 0.74 0.02 0.30 119.66 129.67 1o8r s GLN 4 Ca 0.40 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1o8r s GLN 4 Cb -0.15 -2.59 0.00 0.00 1.10 0.00 0.00 33.01 31.38 1o8r s GLN 4 CO 0.07 0.35 0.00 -0.25 -0.55 0.00 0.00 175.29 174.91 1o8r n ASP 5 N 3.14 0.00 0.00 6.67 8.00 -1.10 -4.61 116.55 128.65 1o8r n ASP 5 Ca -0.18 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1o8r n ASP 5 Cb 0.53 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 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 2.41 0.45 0.36 0.44 0.00 -1.26 -4.87 105.19 102.72 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 0.70 0.00 0.00 0.00 173.32 174.02 1o8r n ASN 7 N 0.00 1.04 -4.24 1.61 3.02 -1.26 -4.80 115.26 110.63 1o8r n ASN 7 Ca 0.00 -2.00 -0.29 0.00 -0.03 0.00 0.00 54.58 52.26 1o8r n ASN 7 Cb 0.00 -0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 38.88 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 -1.74 2.09 -0.12 3.10 0.08 -1.26 -5.11 117.98 115.01 1o8r s PHE 8 Ca 0.13 -0.50 -0.20 0.00 0.12 0.00 0.00 56.93 56.48 1o8r s PHE 8 Cb 0.07 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 1o8r s PHE 8 CO 0.09 -0.11 0.58 -1.54 -0.10 0.00 0.00 175.22 174.14 1o8r s SER 9 N -0.33 6.77 -0.14 1.36 1.04 -1.26 -2.71 113.70 118.43 1o8r s SER 9 Ca 0.03 0.93 0.01 0.00 0.48 0.00 0.00 55.95 57.40 1o8r s SER 9 Cb -0.11 -2.34 -0.00 0.00 0.10 0.00 0.00 66.02 63.67 1o8r s SER 9 CO 0.01 -0.10 -0.17 -0.36 0.98 0.00 0.00 173.24 173.59 1o8r s PHE 10 N 0.99 2.73 0.84 5.02 0.08 0.89 -4.90 117.98 123.64 1o8r s PHE 10 Ca 0.30 -1.01 -0.12 0.00 0.12 0.00 0.00 56.93 56.22 1o8r s PHE 10 Cb -0.16 -1.84 0.10 0.00 -0.57 0.00 0.00 43.02 40.55 1o8r s PHE 10 CO 0.13 -0.44 1.17 0.45 -0.10 0.00 0.00 175.22 176.43 1o8r s SER 11 N 0.65 3.43 -0.12 1.36 0.15 -1.26 -0.58 113.70 117.34 1o8r s SER 11 Ca -0.09 2.24 0.19 0.00 0.70 0.00 0.00 55.95 58.99 1o8r s SER 11 Cb -0.16 -2.57 -0.28 0.00 -1.71 0.00 0.00 66.02 61.29 1o8r s SER 11 CO 0.02 -2.77 0.26 0.00 1.20 0.00 0.00 173.24 171.95 1o8r n LEU 12 N -3.67 0.00 0.15 3.45 -0.00 -1.26 -4.25 117.00 111.42 1o8r n LEU 12 Ca 0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 56.05 1o8r n LEU 12 Cb 0.51 0.26 -0.04 0.00 -0.00 0.00 0.00 43.42 44.15 1o8r n LEU 12 CO 0.49 0.26 0.51 -0.33 -0.00 0.00 0.00 177.39 178.32 1o8r h GLU 13 N 0.00 -0.44 -0.98 1.47 5.08 -1.92 -0.94 114.58 116.85 1o8r h GLU 13 Ca -0.28 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.27 1o8r h GLU 13 Cb 1.63 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.90 1o8r h GLU 13 CO 0.02 -0.30 0.61 0.77 -1.00 0.00 0.00 179.01 179.11 1o8r h SER 14 N -0.46 0.75 -0.42 1.42 0.02 -1.88 -0.36 113.55 112.62 1o8r h SER 14 Ca -0.03 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1o8r h SER 14 Cb 0.38 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1o8r h SER 14 CO 0.00 0.32 0.22 0.58 -1.14 0.00 0.00 176.83 176.82 1o8r h VAL 15 N 0.76 0.99 0.23 2.27 2.07 -1.65 1.43 116.25 122.36 1o8r h VAL 15 Ca 0.53 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.89 1o8r h VAL 15 Cb 0.81 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1o8r h VAL 15 CO -0.30 0.08 -0.21 0.50 0.02 0.00 0.00 177.57 177.66 1o8r h LYS 16 N 0.45 -0.45 -0.21 1.57 3.64 0.32 0.43 116.57 122.32 1o8r h LYS 16 Ca 0.18 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1o8r h LYS 16 Cb 0.07 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1o8r h LYS 16 CO -0.11 -0.30 0.00 1.63 -2.27 0.00 0.00 179.45 178.40 1o8r n LYS 17 N -5.34 1.04 -0.32 1.90 5.02 -0.87 -3.93 118.16 115.66 1o8r n LYS 17 Ca -0.08 -0.05 -0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1o8r n LYS 17 Cb 0.25 -1.11 0.17 0.00 -0.02 0.00 0.00 35.03 34.31 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 0.07 1.04 -0.87 -0.35 6.46 0.43 -2.04 115.31 120.05 1o8r h LEU 18 Ca 0.00 -0.02 0.17 0.00 -0.12 0.00 0.00 57.88 57.91 1o8r h LEU 18 Cb 0.12 -0.25 -0.11 0.00 -0.73 0.00 0.00 40.66 39.69 1o8r h LEU 18 CO 0.00 0.74 0.42 0.50 -0.62 0.00 0.00 178.44 179.48 1o8r h LYS 19 N 1.22 0.53 -2.92 1.25 3.64 -1.74 -3.43 116.57 115.12 1o8r h LYS 19 Ca 0.35 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.58 1o8r h LYS 19 Cb -0.09 -0.12 -0.22 0.00 -0.41 0.00 0.00 32.23 31.40 1o8r h LYS 19 CO -0.09 0.35 -0.26 0.16 -2.27 0.00 0.00 179.45 177.35 1o8r s ASP 20 N -5.33 -0.28 -0.21 4.20 1.47 -0.76 -4.95 116.67 110.80 1o8r s ASP 20 Ca -0.12 0.35 -0.08 0.00 1.18 0.00 0.00 52.55 53.88 1o8r s ASP 20 Cb 0.23 0.48 -0.04 0.00 -0.34 0.00 0.00 42.92 43.25 1o8r s ASP 20 CO 0.78 -0.34 0.09 -0.22 0.68 0.00 0.00 175.17 176.16 1o8r s LEU 21 N -0.78 3.85 0.05 2.11 2.96 -1.25 -4.73 118.68 120.89 1o8r s LEU 21 Ca -0.09 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.83 1o8r s LEU 21 Cb -0.04 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1o8r s LEU 21 CO 0.03 0.11 0.06 -1.10 -1.32 0.00 0.00 176.35 174.13 1o8r s GLN 22 N 0.79 0.62 0.83 1.98 -0.21 -1.26 -5.11 119.66 117.30 1o8r s GLN 22 Ca 0.05 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.49 1o8r s GLN 22 Cb -0.13 0.24 0.00 0.00 1.00 0.00 0.00 33.01 34.11 1o8r s GLN 22 CO 0.02 -0.15 0.00 0.39 -2.12 0.00 0.00 175.29 173.43 1o8r n GLU 23 N 0.45 -1.32 -1.61 2.91 1.02 -1.26 -4.69 120.64 116.14 1o8r n GLU 23 Ca -0.17 0.87 -0.35 0.00 -0.02 0.00 0.00 57.16 57.49 1o8r n GLU 23 Cb 0.60 -1.61 0.08 0.00 -0.02 0.00 0.00 31.44 30.49 1o8r n GLU 23 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1o8r s PRO 24 N -1.12 2.39 0.37 3.49 0.02 -1.26 -4.89 135.00 134.01 1o8r s PRO 24 Ca 0.00 1.83 0.09 0.00 0.02 0.00 0.00 61.00 62.94 1o8r s PRO 24 Cb 0.00 -1.85 0.84 0.00 0.02 0.00 0.00 34.50 33.50 1o8r s PRO 24 CO 0.00 -1.66 1.91 1.96 -0.33 0.00 0.00 177.00 178.88 1o8r h GLN 25 N 0.11 0.64 -2.44 5.54 4.20 -2.01 -3.30 115.11 117.85 1o8r h GLN 25 Ca -0.49 -0.04 -0.59 0.00 0.06 0.00 0.00 58.65 57.59 1o8r h GLN 25 Cb 1.30 -0.14 -0.38 0.00 0.30 0.00 0.00 27.48 28.56 1o8r h GLN 25 CO 0.51 0.42 -0.93 -1.21 -0.67 0.00 0.00 178.83 176.95 1o8r s GLU 26 N -5.62 1.01 0.45 1.46 2.02 -1.26 -4.84 118.70 111.92 1o8r s GLU 26 Ca -0.09 -2.15 -0.25 0.00 0.02 0.00 0.00 54.97 52.49 1o8r s GLU 26 Cb 0.21 -1.58 -0.08 0.00 0.10 0.00 0.00 34.13 32.78 1o8r s GLU 26 CO 0.78 -1.37 1.35 -1.25 0.02 0.00 0.00 175.26 174.79 1o8r s PRO 27 N 0.01 3.69 0.42 0.39 0.05 -1.25 -5.01 135.00 133.31 1o8r s PRO 27 Ca 0.31 2.25 -0.07 0.00 0.05 0.00 0.00 61.00 63.54 1o8r s PRO 27 Cb 0.01 -2.60 -0.05 0.00 0.05 0.00 0.00 34.50 31.91 1o8r s PRO 27 CO -0.18 -0.75 0.73 1.03 0.05 0.00 0.00 177.00 177.88 1o8r s ARG 28 N -2.48 3.63 -0.13 4.56 0.52 -1.26 -4.59 118.95 119.20 1o8r s ARG 28 Ca 0.62 0.23 -0.11 0.00 -0.52 0.00 0.00 55.73 55.94 1o8r s ARG 28 Cb -0.40 -2.44 0.02 0.00 0.52 0.00 0.00 34.95 32.65 1o8r s ARG 28 CO 0.51 -0.07 0.19 1.55 0.02 0.00 0.00 175.30 177.50 1o8r n VAL 29 N -1.71 -1.90 -0.42 3.52 3.14 -1.26 -4.95 118.33 114.75 1o8r n VAL 29 Ca 0.00 0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.60 1o8r n VAL 29 Cb 0.55 -2.20 0.00 0.00 -1.06 0.00 0.00 33.84 31.12 1o8r n VAL 29 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1o8r n GLY 30 N 0.55 5.64 3.91 7.55 0.00 -1.26 -5.15 105.19 116.44 1o8r n GLY 30 Ca -0.03 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 4.38 3.08 0.11 1.61 -0.14 -1.26 -5.07 119.74 122.45 1o8r s LYS 31 Ca 0.00 0.08 -0.10 0.00 -1.36 0.00 0.00 55.97 54.59 1o8r s LYS 31 Cb 0.00 -2.28 -0.06 0.00 -1.68 0.00 0.00 37.83 33.81 1o8r s LYS 31 CO 0.00 -0.59 0.44 -0.51 -0.76 0.00 0.00 175.35 173.93 1o8r s LEU 32 N -4.95 4.32 -0.55 3.17 1.02 -1.26 -5.04 118.68 115.39 1o8r s LEU 32 Ca 0.53 0.83 -0.18 0.00 0.02 0.00 0.00 54.13 55.33 1o8r s LEU 32 Cb -0.10 -3.15 0.09 0.00 0.02 0.00 0.00 46.19 43.05 1o8r s LEU 32 CO 0.46 0.12 0.63 -0.13 0.02 0.00 0.00 176.35 177.45 1o8r s ARG 33 N -2.10 3.06 0.00 1.70 1.81 -1.26 -4.75 118.95 117.41 1o8r s ARG 33 Ca 0.36 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.16 1o8r s ARG 33 Cb -0.14 -4.20 0.00 0.00 -0.45 0.00 0.00 34.95 30.16 1o8r s ARG 33 CO 0.19 -1.37 0.00 0.27 -0.68 0.00 0.00 175.30 173.71 1o8r n ASN 34 N 6.08 0.00 -4.39 0.23 6.94 -1.25 -4.56 115.26 118.31 1o8r n ASN 34 Ca -0.09 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.23 1o8r n ASN 34 Cb 0.43 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.74 1o8r n ASN 34 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1o8r s PHE 35 N 0.00 2.09 -0.57 -2.53 0.08 0.69 -4.71 117.98 113.04 1o8r s PHE 35 Ca 0.00 -0.40 -0.36 0.00 0.12 0.00 0.00 56.93 56.28 1o8r s PHE 35 Cb 0.00 -1.01 -0.16 0.00 -0.57 0.00 0.00 43.02 41.28 1o8r s PHE 35 CO 0.00 0.46 2.32 0.00 -0.10 0.00 0.00 175.22 177.90 1o8r n ALA 36 N 0.11 0.58 -1.00 5.36 0.00 -1.25 -4.25 120.51 120.06 1o8r n ALA 36 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1o8r n ALA 36 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 8.12 0.56 -2.92 0.00 -0.05 -1.26 -5.05 135.00 134.41 1o8r n PRO 37 Ca 0.51 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.83 1o8r n PRO 37 Cb 0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 33.50 33.57 1o8r n PRO 37 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 175.50 175.89 1o8r n ILE 38 N -1.03 -0.29 -1.73 0.52 -0.00 -1.26 -5.08 119.36 110.49 1o8r n ILE 38 Ca 0.00 -2.19 -0.38 0.00 -0.00 0.00 0.00 62.75 60.19 1o8r n ILE 38 Cb 0.00 0.28 0.06 0.00 -0.00 0.00 0.00 39.64 39.98 1o8r n ILE 38 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1o8r n PRO 39 N 1.96 1.27 0.00 6.28 -0.01 -1.26 -4.45 135.00 138.79 1o8r n PRO 39 Ca 0.16 0.49 0.00 0.00 -0.01 0.00 0.00 63.50 64.13 1o8r n PRO 39 Cb 0.58 -2.52 0.00 0.00 -0.01 0.00 0.00 33.50 31.54 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 0.90 0.47 2.81 -1.23 0.00 -1.26 -5.07 105.19 101.80 1o8r n GLY 40 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 2.04 -1.75 1.61 0.28 -1.26 -5.08 120.64 116.48 1o8r n GLU 41 Ca 0.00 -4.54 -0.40 0.00 -0.16 0.00 0.00 57.16 52.07 1o8r n GLU 41 Cb 0.00 -2.29 0.02 0.00 1.43 0.00 0.00 31.44 30.60 1o8r n GLU 41 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1o8r n PRO 42 N 1.72 2.08 -1.38 3.44 -0.01 -1.26 -4.80 135.00 134.79 1o8r n PRO 42 Ca 0.22 0.74 0.00 0.00 -0.01 0.00 0.00 63.50 64.46 1o8r n PRO 42 Cb 0.36 -2.58 0.00 0.00 -0.01 0.00 0.00 33.50 31.27 1o8r n PRO 42 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 1o8r n VAL 43 N -0.40 0.00 -3.16 -1.45 0.24 -1.26 -4.89 118.33 107.41 1o8r n VAL 43 Ca 0.07 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.22 1o8r n VAL 43 Cb 0.42 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.86 1o8r n VAL 43 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1o8r n VAL 44 N 0.00 -6.34 0.27 3.34 0.31 -1.26 -4.69 118.33 109.96 1o8r n VAL 44 Ca 0.00 -0.72 0.11 0.00 -0.01 0.00 0.00 64.34 63.73 1o8r n VAL 44 Cb 0.00 -5.21 0.75 0.00 -0.91 0.00 0.00 33.84 28.47 1o8r n VAL 44 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1o8r h PRO 45 N -1.39 0.00 0.00 5.55 0.13 -1.91 -3.41 132.00 130.97 1o8r h PRO 45 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1o8r h PRO 45 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1o8r h PRO 45 CO 0.42 0.05 0.00 1.51 -0.23 0.00 0.00 178.00 179.75 1o8r n ILE 46 N -4.04 0.00 -3.22 -3.56 3.06 -1.26 -5.07 119.36 105.27 1o8r n ILE 46 Ca -0.03 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.21 1o8r n ILE 46 Cb 0.14 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.30 1o8r n ILE 46 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 1o8r s LEU 47 N -2.83 -1.39 0.00 9.51 2.96 -1.26 -5.08 118.68 120.60 1o8r s LEU 47 Ca 0.00 -0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 53.04 1o8r s LEU 47 Cb 0.00 1.83 0.00 0.00 0.50 0.00 0.00 46.19 48.52 1o8r s LEU 47 CO 0.00 -0.18 0.00 0.00 -1.32 0.00 0.00 176.35 174.86 1o8r n SER 49 N 1.96 0.00 -4.62 0.00 3.41 -1.26 -4.47 113.62 108.64 1o8r n SER 49 Ca -0.01 0.16 -0.43 0.00 -0.26 0.00 0.00 58.87 58.34 1o8r n SER 49 Cb 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1o8r n SER 49 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1o8r s ASN 50 N -2.01 6.04 0.00 4.04 -0.87 -1.26 -4.81 114.94 116.08 1o8r s ASN 50 Ca 0.00 1.70 0.09 0.00 -1.57 0.00 0.00 52.86 53.08 1o8r s ASN 50 Cb 0.00 -2.53 0.41 0.00 -0.02 0.00 0.00 41.25 39.11 1o8r s ASN 50 CO 0.00 -1.52 1.19 -0.81 -2.57 0.00 0.00 177.10 173.39 1o8r n PRO 51 N 8.11 0.08 -0.57 -0.60 -0.05 -1.26 -1.82 135.00 138.89 1o8r n PRO 51 Ca 0.22 0.25 0.06 0.00 -0.05 0.00 0.00 63.50 63.99 1o8r n PRO 51 Cb 0.45 -1.50 0.14 0.00 -0.05 0.00 0.00 33.50 32.54 1o8r n PRO 51 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 1o8r n ASN 52 N -1.36 1.63 -3.92 3.54 0.23 -1.26 -5.00 115.26 109.12 1o8r n ASN 52 Ca 0.03 -3.19 -0.30 0.00 -0.53 0.00 0.00 54.58 50.59 1o8r n ASN 52 Cb 0.08 -0.43 0.21 0.00 -2.08 0.00 0.00 39.78 37.56 1o8r n ASN 52 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 1o8r s PHE 53 N -2.33 1.18 -0.58 -2.53 -0.71 -0.76 -4.77 117.98 107.48 1o8r s PHE 53 Ca 0.32 0.23 -0.25 0.00 -1.04 0.00 0.00 56.93 56.18 1o8r s PHE 53 Cb 0.31 -4.21 -0.26 0.00 -1.21 0.00 0.00 43.02 37.65 1o8r s PHE 53 CO -0.05 -2.96 1.78 -2.30 -1.34 0.00 0.00 175.22 170.35 1o8r n PRO 54 N -3.96 0.05 -0.44 1.99 -0.01 -1.26 -4.64 135.00 126.72 1o8r n PRO 54 Ca 0.17 -1.26 0.39 0.00 -0.01 0.00 0.00 63.50 62.79 1o8r n PRO 54 Cb 0.59 -3.10 0.60 0.00 -0.01 0.00 0.00 33.50 31.58 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 7.63 0.01 0.27 -0.52 2.13 -1.26 0.22 120.64 129.12 1o8r n GLU 55 Ca 0.39 1.01 0.11 0.00 0.66 0.00 0.00 57.16 59.33 1o8r n GLU 55 Cb 0.44 -2.43 0.61 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 -0.30 5.31 5.08 -1.95 1.62 114.58 124.34 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 3.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.48 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 -2.54 1.82 -0.36 1.33 4.77 0.61 -4.42 117.00 118.21 1o8r n LEU 57 Ca -0.01 -0.87 0.05 0.00 -0.03 0.00 0.00 56.01 55.14 1o8r n LEU 57 Cb 0.37 -0.20 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1o8r n LEU 57 CO 0.10 0.44 0.64 1.17 -1.33 0.00 0.00 177.39 178.41 1o8r n LYS 58 N 0.47 -0.10 -0.33 3.23 4.81 0.55 0.17 118.16 126.96 1o8r n LYS 58 Ca 0.13 1.53 0.06 0.00 -0.87 0.00 0.00 58.31 59.16 1o8r n LYS 58 Cb 0.31 -2.28 0.21 0.00 0.02 0.00 0.00 35.03 33.28 1o8r n LYS 58 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1o8r h PRO 59 N 0.00 0.87 -0.87 1.64 0.10 -1.82 -0.66 132.00 131.26 1o8r h PRO 59 Ca 0.46 -0.05 0.01 0.00 0.10 0.00 0.00 66.00 66.52 1o8r h PRO 59 Cb 0.70 -0.20 -0.04 0.00 0.10 0.00 0.00 31.00 31.56 1o8r h PRO 59 CO -1.01 0.58 0.57 -0.07 0.10 0.00 0.00 178.00 178.17 1o8r h LEU 60 N 0.90 0.99 -1.02 2.35 3.38 0.14 -1.75 115.31 120.30 1o8r h LEU 60 Ca 0.46 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.31 1o8r h LEU 60 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1o8r h LEU 60 CO -0.27 0.71 -0.44 0.00 0.09 0.00 0.00 178.44 178.53 1o8r n LYS 62 N -4.01 1.00 -5.01 0.00 5.02 -0.58 -4.75 118.16 109.84 1o8r n LYS 62 Ca -0.02 -0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.00 1o8r n LYS 62 Cb 0.48 -1.27 -0.16 0.00 -0.02 0.00 0.00 35.03 34.06 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 -2.00 1.82 0.43 1.97 -1.05 -0.91 -4.99 118.70 113.97 1o8r s GLU 63 Ca 0.26 -0.73 0.29 0.00 -0.15 0.00 0.00 54.97 54.64 1o8r s GLU 63 Cb 0.12 -1.68 1.55 0.00 -0.44 0.00 0.00 34.13 33.68 1o8r s GLU 63 CO 0.20 0.39 1.89 -1.35 0.95 0.00 0.00 175.26 177.34 1o8r h PRO 64 N 5.84 0.00 -0.00 -4.83 0.11 -1.85 -0.14 132.00 131.13 1o8r h PRO 64 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1o8r h PRO 64 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1o8r h PRO 64 CO 0.48 0.00 -0.00 0.09 -0.21 0.00 0.00 178.00 178.35 1o8r n ASN 65 N -2.53 0.00 -0.26 -2.05 5.03 -1.26 -3.66 115.26 110.54 1o8r n ASN 65 Ca -0.02 0.23 0.22 0.00 0.87 0.00 0.00 54.58 55.88 1o8r n ASN 65 Cb 0.07 -0.41 0.55 0.00 -1.02 0.00 0.00 39.78 38.96 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 3.18 2.33 -0.72 5.41 0.00 -1.08 0.41 119.26 128.79 1o8r h ALA 66 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1o8r h ALA 66 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1o8r h ALA 66 CO 0.00 -0.64 0.30 1.96 0.00 0.00 0.00 179.25 180.86 1o8r h GLN 67 N 0.34 1.05 0.16 0.00 4.20 -1.81 0.52 115.11 119.57 1o8r h GLN 67 Ca 0.50 -0.17 -0.22 0.00 0.06 0.00 0.00 58.65 58.82 1o8r h GLN 67 Cb 1.36 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.99 1o8r h GLN 67 CO -0.18 0.85 -0.96 0.93 -0.67 0.00 0.00 178.83 178.80 1o8r h GLU 68 N 1.03 0.34 -0.83 1.46 5.08 -0.63 -3.31 114.58 117.72 1o8r h GLU 68 Ca 0.24 -0.58 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1o8r h GLU 68 Cb 0.18 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1o8r h GLU 68 CO -0.02 1.28 0.38 0.82 -1.00 0.00 0.00 179.01 180.46 1o8r h ILE 69 N -0.28 1.26 -0.12 3.13 2.04 -0.42 -3.14 117.51 119.98 1o8r h ILE 69 Ca -0.17 -0.77 0.02 0.00 1.00 0.00 0.00 64.86 64.94 1o8r h ILE 69 Cb 1.75 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1o8r h ILE 69 CO 0.17 0.32 -0.23 0.25 0.00 0.00 0.00 178.15 178.67 1o8r h LEU 70 N 1.20 -0.74 -0.56 1.44 7.12 -0.05 0.46 115.31 124.19 1o8r h LEU 70 Ca 0.28 0.09 0.10 0.00 0.13 0.00 0.00 57.88 58.49 1o8r h LEU 70 Cb 0.16 0.30 -0.11 0.00 -0.53 0.00 0.00 40.66 40.47 1o8r h LEU 70 CO -0.03 -0.18 -0.30 1.56 -0.13 0.00 0.00 178.44 179.36 1o8r h GLN 71 N -0.19 -0.15 0.13 1.25 4.20 -1.65 0.42 115.11 119.11 1o8r h GLN 71 Ca 0.02 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1o8r h GLN 71 Cb 0.26 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1o8r h GLN 71 CO -0.22 -0.10 -0.26 -0.09 -0.67 0.00 0.00 178.83 177.49 1o8r h ARG 72 N -0.16 -0.46 -0.31 1.46 9.65 -1.33 -1.49 114.38 121.75 1o8r h ARG 72 Ca 0.23 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.21 1o8r h ARG 72 Cb 0.54 0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 29.14 1o8r h ARG 72 CO -0.64 -0.30 -0.28 1.25 2.80 0.00 0.00 179.97 182.80 1o8r h LEU 73 N -0.47 -0.90 -0.72 3.80 5.85 0.11 -0.08 115.31 122.90 1o8r h LEU 73 Ca 0.03 0.16 0.14 0.00 0.84 0.00 0.00 57.88 59.05 1o8r h LEU 73 Cb 0.50 0.42 -0.10 0.00 0.37 0.00 0.00 40.66 41.85 1o8r h LEU 73 CO -0.14 -0.30 0.23 -0.33 -0.34 0.00 0.00 178.44 177.56 1o8r h GLU 74 N -0.25 0.34 -0.06 1.25 5.08 -0.57 0.21 114.58 120.59 1o8r h GLU 74 Ca 0.15 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1o8r h GLU 74 Cb 0.50 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1o8r h GLU 74 CO -0.45 0.22 -0.22 0.93 -1.00 0.00 0.00 179.01 178.49 1o8r h GLU 75 N 0.35 -0.31 -0.77 2.33 5.08 0.02 -0.77 114.58 120.52 1o8r h GLU 75 Ca 0.40 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1o8r h GLU 75 Cb 0.63 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1o8r h GLU 75 CO -0.44 -0.21 0.44 0.82 -1.00 0.00 0.00 179.01 178.62 1o8r h ILE 76 N -0.32 1.22 -0.73 3.13 2.04 -0.62 0.41 117.51 122.64 1o8r h ILE 76 Ca 0.08 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1o8r h ILE 76 Cb 0.43 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1o8r h ILE 76 CO -0.24 0.24 0.48 0.00 0.00 0.00 0.00 178.15 178.63 1o8r h ALA 77 N 1.42 1.50 -0.57 1.87 0.00 0.04 -1.45 119.26 122.06 1o8r h ALA 77 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1o8r h ALA 77 Cb -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1o8r h ALA 77 CO -0.05 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.05 1o8r n GLU 78 N -4.43 3.21 -3.15 0.00 1.02 -0.39 -4.14 120.64 112.76 1o8r n GLU 78 Ca 0.08 -2.65 0.04 0.00 -0.02 0.00 0.00 57.16 54.62 1o8r n GLU 78 Cb 0.05 -1.67 -0.01 0.00 -0.02 0.00 0.00 31.44 29.80 1o8r n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1o8r s ASP 79 N -1.05 -1.45 0.03 1.62 2.15 0.14 0.25 116.67 118.36 1o8r s ASP 79 Ca 0.44 0.65 -0.16 0.00 0.43 0.00 0.00 52.55 53.91 1o8r s ASP 79 Cb 0.27 2.11 -0.08 0.00 -0.30 0.00 0.00 42.92 44.92 1o8r s ASP 79 CO 0.24 -0.27 1.25 -0.65 -0.17 0.00 0.00 175.17 175.57 1o8r h PRO 80 N 8.00 -0.50 0.00 4.34 0.10 -1.81 -3.34 132.00 138.80 1o8r h PRO 80 Ca -0.16 0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.97 1o8r h PRO 80 Cb 1.17 0.11 0.00 0.00 0.10 0.00 0.00 31.00 32.38 1o8r h PRO 80 CO 0.22 -0.33 0.00 0.41 0.10 0.00 0.00 178.00 178.40 1o8r n GLY 81 N -1.27 0.33 0.18 -0.55 0.00 -1.26 -3.40 105.19 99.23 1o8r n GLY 81 Ca -0.06 -0.88 0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 0.49 -0.48 2.61 1.35 -1.96 -3.34 112.91 111.58 1o8r h THR 82 Ca 0.00 -1.59 0.07 0.00 -0.55 0.00 0.00 66.41 64.33 1o8r h THR 82 Cb 0.00 2.16 -0.09 0.00 -1.73 0.00 0.00 68.15 68.49 1o8r h THR 82 CO 0.00 0.27 -0.49 0.00 -0.25 0.00 0.00 175.52 175.05 1o8r h GLU 84 N -0.31 0.85 -0.48 0.00 5.08 -1.77 -0.00 114.58 117.94 1o8r h GLU 84 Ca 0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1o8r h GLU 84 Cb 0.58 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1o8r h GLU 84 CO -0.63 0.57 0.00 0.44 -1.00 0.00 0.00 179.01 178.38 1o8r n ILE 85 N -4.50 0.71 -1.33 3.13 -5.35 -0.05 -4.87 119.36 107.10 1o8r n ILE 85 Ca 0.13 -0.52 -0.12 0.00 -0.27 0.00 0.00 62.75 61.97 1o8r n ILE 85 Cb 0.25 0.04 -0.05 0.00 -1.74 0.00 0.00 39.64 38.14 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 0.37 2.24 -3.19 0.00 0.00 -0.78 -4.81 120.51 114.34 1o8r n ALA 87 Ca -0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 53.44 53.10 1o8r n ALA 87 Cb 0.39 -1.36 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.29 0.43 -2.00 0.00 1.51 -1.26 -5.01 117.35 108.73 1o8r s TYR 88 Ca 0.27 -0.79 0.13 0.00 -1.01 0.00 0.00 57.07 55.67 1o8r s TYR 88 Cb 0.15 0.20 0.76 0.00 -0.11 0.00 0.00 41.96 42.96 1o8r s TYR 88 CO 0.30 -1.05 1.32 0.00 -1.11 0.00 0.00 175.55 175.02 1o8r n ALA 89 N -0.41 2.36 0.16 3.71 0.00 -1.26 -3.54 120.51 121.52 1o8r n ALA 89 Ca -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1o8r n ALA 89 Cb 0.62 -1.21 0.43 0.00 0.00 0.00 0.00 19.45 19.29 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 3.07 1.57 -3.20 0.00 0.00 -1.93 -3.41 119.26 115.37 1o8r h ALA 90 Ca 0.00 -0.20 -0.66 0.00 0.00 0.00 0.00 54.91 54.05 1o8r h ALA 90 Cb 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 17.44 1o8r h ALA 90 CO 0.00 0.31 -0.78 0.00 0.00 0.00 0.00 179.25 178.79 1o8r s THR 92 N 0.79 3.17 0.00 0.00 -4.23 -0.85 -4.57 115.64 109.95 1o8r s THR 92 Ca -0.05 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 1o8r s THR 92 Cb -0.15 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1o8r s THR 92 CO 0.01 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1o8r n GLY 93 N 0.39 3.39 0.00 3.99 0.00 -1.26 -3.41 105.19 108.28 1o8r n GLY 93 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1o8r n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32