#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pco s PRO 2 N 0.00 3.51 -0.12 1.45 0.04 -1.26 -4.84 135.00 133.78 1pco s PRO 2 Ca 0.00 -1.54 -0.18 0.00 0.04 0.00 0.00 61.00 59.31 1pco s PRO 2 Cb 0.00 -5.41 -0.04 0.00 0.04 0.00 0.00 34.50 29.09 1pco s PRO 2 CO 0.00 -2.68 0.49 0.34 0.04 0.00 0.00 177.00 175.19 1pco s ASP 3 N 5.10 6.69 0.53 6.66 2.15 -1.26 -5.02 116.67 131.51 1pco s ASP 3 Ca 0.56 0.82 0.40 0.00 0.43 0.00 0.00 52.55 54.76 1pco s ASP 3 Cb 0.02 -2.29 1.58 0.00 -0.30 0.00 0.00 42.92 41.92 1pco s ASP 3 CO 0.05 -0.02 1.70 -0.65 -0.17 0.00 0.00 175.17 176.08 1pco h PRO 4 N 6.79 0.03 0.00 4.34 0.11 -2.03 -2.49 132.00 138.75 1pco h PRO 4 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1pco h PRO 4 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pco h PRO 4 CO 0.75 0.02 0.00 2.89 -0.21 0.00 0.00 178.00 181.46 1pco n ARG 5 N -4.17 0.08 0.00 1.05 0.00 -1.26 -4.83 116.66 107.53 1pco n ARG 5 Ca 0.33 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.62 1pco n ARG 5 Cb 1.52 -1.70 0.00 0.00 -0.00 0.00 0.00 32.46 32.28 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pco n GLY 6 N -0.61 1.62 5.10 2.89 0.00 -0.94 -4.25 105.19 109.00 1pco n GLY 6 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1pco n GLY 6 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pco n ILE 7 N -1.21 0.00 -3.69 -0.61 5.41 -1.25 -4.34 119.36 113.66 1pco n ILE 7 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.46 1pco n ILE 7 Cb 0.00 0.00 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 1pco n ILE 7 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1pco s ILE 8 N 0.00 0.60 0.00 1.39 1.01 -1.26 -5.08 121.20 117.86 1pco s ILE 8 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1pco s ILE 8 Cb 0.00 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1pco s ILE 8 CO 0.00 -0.60 0.00 2.30 0.00 0.00 0.00 174.94 176.64 1pco n ILE 9 N 4.97 0.00 -1.07 2.92 -5.35 -1.26 -5.13 119.36 114.44 1pco n ILE 9 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1pco n ILE 9 Cb 0.43 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 1pco n ILE 9 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pco n ASN 10 N 0.00 -1.43 -4.07 7.28 3.02 -0.97 -5.03 115.26 114.06 1pco n ASN 10 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 1pco n ASN 10 Cb 0.00 -0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 38.35 1pco n ASN 10 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 1pco s LEU 11 N -0.18 2.38 0.73 3.41 0.05 -1.20 -4.78 118.68 119.08 1pco s LEU 11 Ca 0.00 -0.77 -0.11 0.00 0.05 0.00 0.00 54.13 53.30 1pco s LEU 11 Cb 0.00 0.03 0.03 0.00 -2.05 0.00 0.00 46.19 44.19 1pco s LEU 11 CO 0.00 -0.40 1.09 -1.81 -0.55 0.00 0.00 176.35 174.68 1pco s ASP 12 N -2.26 5.18 0.50 1.48 1.01 -1.26 -0.19 116.67 121.13 1pco s ASP 12 Ca -0.02 1.23 -0.20 0.00 0.71 0.00 0.00 52.55 54.27 1pco s ASP 12 Cb -0.02 -2.03 -0.08 0.00 1.01 0.00 0.00 42.92 41.81 1pco s ASP 12 CO -0.04 -1.52 1.06 -1.83 0.21 0.00 0.00 175.17 173.04 1pco s GLU 13 N -5.27 3.70 0.00 8.23 1.03 -1.26 -3.98 118.70 121.15 1pco s GLU 13 Ca 0.59 1.40 0.00 0.00 0.03 0.00 0.00 54.97 56.99 1pco s GLU 13 Cb -0.12 -2.07 0.00 0.00 -0.80 0.00 0.00 34.13 31.13 1pco s GLU 13 CO 0.53 -0.53 0.00 0.41 -1.33 0.00 0.00 175.26 174.34 1pco n GLY 14 N -0.20 0.79 3.06 -3.83 0.00 0.37 -4.95 105.19 100.43 1pco n GLY 14 Ca 0.10 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.32 1pco n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pco s GLU 15 N -2.01 0.73 0.18 1.61 2.02 -1.26 -4.95 118.70 115.02 1pco s GLU 15 Ca 0.00 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.17 1pco s GLU 15 Cb 0.00 -0.68 -0.08 0.00 0.10 0.00 0.00 34.13 33.47 1pco s GLU 15 CO 0.00 0.17 1.27 -0.51 0.02 0.00 0.00 175.26 176.21 1pco s LEU 16 N -0.73 4.42 0.03 1.80 1.43 -1.26 -1.81 118.68 122.55 1pco s LEU 16 Ca 0.00 2.32 -0.01 0.00 -1.03 0.00 0.00 54.13 55.41 1pco s LEU 16 Cb -0.06 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 1pco s LEU 16 CO 0.00 -0.48 -0.01 0.00 0.23 0.00 0.00 176.35 176.09 1pco n LEU 18 N 1.19 1.72 -4.99 0.00 -0.00 -1.26 -4.48 117.00 109.18 1pco n LEU 18 Ca -0.21 0.08 -0.19 0.00 -0.00 0.00 0.00 56.01 55.68 1pco n LEU 18 Cb 0.57 -0.11 0.03 0.00 -0.00 0.00 0.00 43.42 43.91 1pco n LEU 18 CO 0.22 -0.11 0.28 0.20 -0.00 0.00 0.00 177.39 177.99 1pco s ASN 19 N -1.48 5.38 0.04 1.45 0.01 -1.26 -4.64 114.94 114.44 1pco s ASN 19 Ca 0.00 -0.24 0.15 0.00 -0.71 0.00 0.00 52.86 52.06 1pco s ASN 19 Cb 0.00 -0.69 0.64 0.00 0.41 0.00 0.00 41.25 41.62 1pco s ASN 19 CO 0.00 -1.03 1.48 -1.20 -1.51 0.00 0.00 177.10 174.84 1pco n SER 20 N -2.15 0.10 -2.57 -1.22 7.64 -1.21 -4.10 113.62 110.10 1pco n SER 20 Ca 0.09 0.53 -0.25 0.00 1.01 0.00 0.00 58.87 60.24 1pco n SER 20 Cb 0.60 -0.55 -0.09 0.00 -1.01 0.00 0.00 64.21 63.16 1pco n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pco n ALA 21 N -1.54 6.64 0.00 -0.43 0.00 -1.26 -4.04 120.51 119.87 1pco n ALA 21 Ca 0.03 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1pco n ALA 21 Cb 0.17 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.15 1pco n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1pco n GLN 22 N 1.94 0.00 -2.29 0.00 6.02 -1.26 -4.35 117.38 117.43 1pco n GLN 22 Ca 0.53 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 57.23 1pco n GLN 22 Cb 0.59 -0.02 0.01 0.00 1.02 0.00 0.00 30.24 31.84 1pco n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pco h LYS 24 N -0.07 -0.55 -5.87 0.00 1.57 -0.88 -3.21 116.57 107.56 1pco h LYS 24 Ca -0.46 0.04 -0.61 0.00 -1.87 0.00 0.00 60.65 57.75 1pco h LYS 24 Cb 1.21 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.53 1pco h LYS 24 CO 0.62 -0.35 1.22 0.45 -0.57 0.00 0.00 179.45 180.82 1pco s SER 25 N -4.71 6.45 -0.94 0.86 0.15 -1.26 -4.94 113.70 109.31 1pco s SER 25 Ca -0.16 -1.39 -0.19 0.00 0.70 0.00 0.00 55.95 54.91 1pco s SER 25 Cb 0.04 -2.52 -0.11 0.00 -1.71 0.00 0.00 66.02 61.72 1pco s SER 25 CO 0.63 -1.46 2.02 -0.46 1.20 0.00 0.00 173.24 175.17 1pco n ASN 26 N 8.37 3.05 -3.42 5.45 6.94 -1.21 -4.65 115.26 129.79 1pco n ASN 26 Ca 0.24 -2.69 -0.20 0.00 -0.02 0.00 0.00 54.58 51.91 1pco n ASN 26 Cb 0.50 -1.23 -0.10 0.00 -2.36 0.00 0.00 39.78 36.58 1pco n ASN 26 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1pco s GLN 29 N 3.98 4.06 -0.31 0.00 -0.44 -0.57 -1.25 119.66 125.12 1pco s GLN 29 Ca 0.51 -0.19 -0.23 0.00 -2.50 0.00 0.00 55.36 52.95 1pco s GLN 29 Cb -0.14 -3.57 0.00 0.00 -1.64 0.00 0.00 33.01 27.66 1pco s GLN 29 CO 0.21 -0.03 0.77 -1.58 0.50 0.00 0.00 175.29 175.16 1pco s HIS 30 N 1.31 3.19 -1.02 1.67 5.65 -0.18 -2.34 115.29 123.57 1pco s HIS 30 Ca 0.10 0.74 -0.07 0.00 0.25 0.00 0.00 55.06 56.08 1pco s HIS 30 Cb -0.14 -3.22 -0.07 0.00 -1.18 0.00 0.00 32.58 27.97 1pco s HIS 30 CO 0.07 -0.58 2.99 -0.40 -0.65 0.00 0.00 174.74 176.16 1pco n ASP 31 N 6.19 7.48 -1.21 9.88 5.75 -1.26 -4.56 116.55 138.83 1pco n ASP 31 Ca 0.03 -2.74 -0.00 0.00 -0.01 0.00 0.00 54.79 52.07 1pco n ASP 31 Cb 0.48 -1.44 -0.00 0.00 -1.03 0.00 0.00 41.12 39.13 1pco n ASP 31 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1pco n THR 32 N 2.60 -3.67 0.00 2.12 -2.24 -1.26 -4.70 114.28 107.13 1pco n THR 32 Ca 0.63 0.45 0.00 0.00 -2.27 0.00 0.00 64.05 62.86 1pco n THR 32 Cb 0.44 -3.46 0.00 0.00 -2.10 0.00 0.00 70.33 65.21 1pco n THR 32 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1pco n ILE 33 N 0.26 0.00 -3.43 2.28 -0.00 -1.26 -3.90 119.36 113.30 1pco n ILE 33 Ca -0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 62.75 62.31 1pco n ILE 33 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.61 1pco n ILE 33 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1pco s LEU 34 N 0.00 6.31 0.04 1.39 2.96 -1.26 -5.04 118.68 123.08 1pco s LEU 34 Ca 0.00 -2.93 0.02 0.00 -0.22 0.00 0.00 54.13 51.00 1pco s LEU 34 Cb 0.00 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1pco s LEU 34 CO 0.00 -0.46 -0.07 -0.94 -1.32 0.00 0.00 176.35 173.55 1pco s SER 35 N 1.57 0.84 -0.30 3.68 1.04 -1.25 -5.07 113.70 114.20 1pco s SER 35 Ca 0.20 -0.57 -0.29 0.00 0.48 0.00 0.00 55.95 55.77 1pco s SER 35 Cb -0.12 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.06 1pco s SER 35 CO -0.08 -0.22 1.05 -0.22 0.98 0.00 0.00 173.24 174.75 1pco s LEU 36 N -1.65 3.97 -0.03 2.42 2.96 -1.26 -4.85 118.68 120.25 1pco s LEU 36 Ca -0.09 1.09 -0.16 0.00 -0.22 0.00 0.00 54.13 54.74 1pco s LEU 36 Cb -0.09 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 1pco s LEU 36 CO 0.00 -0.83 0.44 -0.44 -1.32 0.00 0.00 176.35 174.20 1pco s SER 37 N 1.57 6.80 -0.02 3.68 0.01 -1.26 -4.58 113.70 119.90 1pco s SER 37 Ca 0.44 0.95 0.02 0.00 1.31 0.00 0.00 55.95 58.67 1pco s SER 37 Cb -0.13 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1pco s SER 37 CO 0.14 0.23 -0.06 -0.60 0.41 0.00 0.00 173.24 173.35 1pco s ARG 38 N -0.61 0.64 0.54 12.44 3.52 -0.99 -2.23 118.95 132.25 1pco s ARG 38 Ca 0.25 -0.21 -0.21 0.00 -0.13 0.00 0.00 55.73 55.43 1pco s ARG 38 Cb -0.16 -0.62 -0.05 0.00 -1.56 0.00 0.00 34.95 32.55 1pco s ARG 38 CO 0.13 0.09 1.22 0.00 -0.81 0.00 0.00 175.30 175.93 1pco n ALA 40 N -1.13 0.70 -1.94 0.00 0.00 -0.97 -0.48 120.51 116.69 1pco n ALA 40 Ca 0.11 -1.90 -0.40 0.00 0.00 0.00 0.00 53.44 51.25 1pco n ALA 40 Cb 0.48 1.53 -0.06 0.00 0.00 0.00 0.00 19.45 21.41 1pco n ALA 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pco s LEU 41 N 0.00 4.60 0.19 0.00 1.43 -1.26 -4.62 118.68 119.02 1pco s LEU 41 Ca 0.38 1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 1pco s LEU 41 Cb 0.02 -3.48 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 1pco s LEU 41 CO 0.27 0.14 1.27 -1.59 0.23 0.00 0.00 176.35 176.67 1pco s LYS 42 N -0.94 4.42 0.59 1.70 -2.85 -1.26 -4.70 119.74 116.70 1pco s LYS 42 Ca 0.40 1.99 -0.16 0.00 -1.00 0.00 0.00 55.97 57.20 1pco s LYS 42 Cb -0.24 -3.21 -0.04 0.00 -2.06 0.00 0.00 37.83 32.28 1pco s LYS 42 CO 0.29 -0.20 1.06 0.00 0.10 0.00 0.00 175.35 176.60 1pco s ALA 43 N 0.08 2.75 0.44 0.59 0.00 -1.26 -4.59 121.76 119.78 1pco s ALA 43 Ca 0.55 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.96 1pco s ALA 43 Cb -0.35 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1pco s ALA 43 CO 0.38 -0.80 0.22 1.03 0.00 0.00 0.00 175.76 176.59 1pco s ARG 44 N -4.08 2.26 0.11 0.00 1.81 -1.26 -1.28 118.95 116.50 1pco s ARG 44 Ca 0.63 -1.88 -0.32 0.00 -1.72 0.00 0.00 55.73 52.45 1pco s ARG 44 Cb -0.16 -2.00 -0.11 0.00 -0.45 0.00 0.00 34.95 32.23 1pco s ARG 44 CO 0.37 -0.21 1.83 -1.91 -0.68 0.00 0.00 175.30 174.70 1pco n GLU 45 N -1.34 2.69 -0.72 3.54 2.13 -1.26 -1.88 120.64 123.79 1pco n GLU 45 Ca -0.02 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1pco n GLU 45 Cb 0.64 -2.86 0.00 0.00 0.27 0.00 0.00 31.44 29.49 1pco n GLU 45 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pco n ASN 46 N 5.61 -2.17 -4.41 4.31 3.02 -0.57 -5.00 115.26 116.04 1pco n ASN 46 Ca 0.18 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.45 1pco n ASN 46 Cb 0.36 -0.36 -0.12 0.00 -0.61 0.00 0.00 39.78 39.04 1pco n ASN 46 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1pco s SER 47 N -2.60 3.40 -0.14 6.41 0.15 -0.79 -4.90 113.70 115.24 1pco s SER 47 Ca 0.00 -0.79 -0.29 0.00 0.70 0.00 0.00 55.95 55.57 1pco s SER 47 Cb 0.00 -0.25 -0.02 0.00 -1.71 0.00 0.00 66.02 64.04 1pco s SER 47 CO 0.00 0.15 1.29 -1.61 1.20 0.00 0.00 173.24 174.27 1pco s GLU 48 N -2.33 4.24 0.15 5.44 2.02 -1.26 -1.19 118.70 125.78 1pco s GLU 48 Ca 0.17 1.71 0.10 0.00 0.02 0.00 0.00 54.97 56.97 1pco s GLU 48 Cb -0.09 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.34 1pco s GLU 48 CO 0.08 -0.69 -0.22 0.00 0.02 0.00 0.00 175.26 174.45 1pco s SER 50 N -2.34 7.02 -0.06 0.00 0.01 -0.02 -2.47 113.70 115.84 1pco s SER 50 Ca 0.14 1.76 -0.26 0.00 1.31 0.00 0.00 55.95 58.90 1pco s SER 50 Cb -0.08 -2.55 -0.22 0.00 0.21 0.00 0.00 66.02 63.37 1pco s SER 50 CO 0.07 -0.64 1.08 0.00 0.41 0.00 0.00 173.24 174.16 1pco h ALA 51 N 7.70 0.02 -2.51 1.44 0.00 -1.90 -3.39 119.26 120.61 1pco h ALA 51 Ca -0.31 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 53.70 1pco h ALA 51 Cb 1.14 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1pco h ALA 51 CO 0.91 -0.10 -0.15 -0.59 0.00 0.00 0.00 179.25 179.32 1pco s PHE 52 N -3.46 3.45 0.08 0.00 -0.12 -1.26 -4.87 117.98 111.79 1pco s PHE 52 Ca -0.17 0.74 0.09 0.00 -0.05 0.00 0.00 56.93 57.55 1pco s PHE 52 Cb 0.00 -2.17 -0.03 0.00 -0.63 0.00 0.00 43.02 40.19 1pco s PHE 52 CO 0.70 0.25 -0.25 0.95 -0.05 0.00 0.00 175.22 176.81 1pco s THR 53 N -1.90 2.08 0.00 -4.49 -4.23 -1.26 -5.05 115.64 100.78 1pco s THR 53 Ca 0.45 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1pco s THR 53 Cb -0.11 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.92 1pco s THR 53 CO 0.25 0.23 0.00 0.00 -0.54 0.00 0.00 174.62 174.56 1pco n LEU 54 N 1.47 0.00 -3.00 4.79 -0.00 -1.26 -5.08 117.00 113.92 1pco n LEU 54 Ca -0.17 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.67 1pco n LEU 54 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 1pco n LEU 54 CO 0.23 0.00 -0.07 0.00 -0.00 0.00 0.00 177.39 177.54 1pco n TYR 55 N 0.00 -1.79 0.00 1.47 9.36 -1.26 -5.11 117.16 119.83 1pco n TYR 55 Ca 0.00 -2.70 0.00 0.00 3.32 0.00 0.00 57.90 58.52 1pco n TYR 55 Cb 0.00 0.55 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 1pco n TYR 55 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1pco n GLY 56 N 1.63 -0.78 3.78 2.98 0.00 -1.26 -4.90 105.19 106.64 1pco n GLY 56 Ca 0.16 0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1pco n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pco s VAL 57 N -2.31 4.18 -0.05 1.61 1.01 -1.26 -3.29 120.40 120.29 1pco s VAL 57 Ca 0.00 1.81 0.05 0.00 0.00 0.00 0.00 61.98 63.85 1pco s VAL 57 Cb 0.00 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 1pco s VAL 57 CO 0.00 0.15 -0.20 -0.31 0.00 0.00 0.00 175.10 174.74 1pco s TYR 58 N -1.60 1.99 0.08 5.22 2.02 -0.38 -4.91 117.35 119.78 1pco s TYR 58 Ca 0.50 -0.56 -0.25 0.00 -0.37 0.00 0.00 57.07 56.40 1pco s TYR 58 Cb -0.19 -1.32 -0.16 0.00 -0.40 0.00 0.00 41.96 39.89 1pco s TYR 58 CO 0.24 -0.17 1.70 1.88 -1.57 0.00 0.00 175.55 177.63 1pco h TYR 59 N 6.11 -0.13 -3.30 2.71 -1.99 -1.87 -0.45 116.97 118.05 1pco h TYR 59 Ca -0.33 -0.00 -0.43 0.00 2.00 0.00 0.00 58.73 59.97 1pco h TYR 59 Cb 1.17 0.04 -0.37 0.00 2.00 0.00 0.00 36.73 39.57 1pco h TYR 59 CO 0.43 -0.06 -0.77 0.15 -0.00 0.00 0.00 178.16 177.91 1pco s LYS 60 N -6.08 0.63 0.05 4.88 1.02 -1.26 -4.40 119.74 114.58 1pco s LYS 60 Ca -0.14 0.07 -0.38 0.00 0.02 0.00 0.00 55.97 55.55 1pco s LYS 60 Cb 0.05 -0.93 -0.18 0.00 -0.52 0.00 0.00 37.83 36.25 1pco s LYS 60 CO 0.65 -0.26 1.17 0.00 -0.92 0.00 0.00 175.35 175.99 1pco n PRO 62 N 1.91 3.22 -1.36 0.00 -0.04 -1.26 -3.90 135.00 133.57 1pco n PRO 62 Ca 0.19 -2.03 0.17 0.00 -0.04 0.00 0.00 63.50 61.79 1pco n PRO 62 Cb 0.14 -2.74 -0.08 0.00 -0.04 0.00 0.00 33.50 30.78 1pco n PRO 62 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pco s GLU 64 N -3.84 1.38 -0.30 0.00 4.04 -0.40 -4.40 118.70 115.19 1pco s GLU 64 Ca 0.00 -0.24 -0.28 0.00 0.04 0.00 0.00 54.97 54.49 1pco s GLU 64 Cb 0.00 -1.95 -0.04 0.00 0.02 0.00 0.00 34.13 32.16 1pco s GLU 64 CO 0.00 -1.91 2.09 0.50 -1.84 0.00 0.00 175.26 174.10 1pco s ARG 65 N -5.65 3.07 0.00 -4.83 3.00 -1.26 -2.47 118.95 110.82 1pco s ARG 65 Ca 0.67 1.72 0.00 0.00 -1.00 0.00 0.00 55.73 57.13 1pco s ARG 65 Cb -0.07 -4.34 0.00 0.00 0.00 0.00 0.00 34.95 30.54 1pco s ARG 65 CO 0.50 -2.17 0.00 0.41 0.00 0.00 0.00 175.30 174.04 1pco n GLY 66 N 5.68 1.29 2.89 8.12 0.00 -1.26 -5.12 105.19 116.79 1pco n GLY 66 Ca 0.28 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1pco n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pco s LEU 67 N 0.00 1.73 0.16 0.99 2.96 -1.03 -4.93 118.68 118.56 1pco s LEU 67 Ca 0.00 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1pco s LEU 67 Cb 0.00 0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.75 1pco s LEU 67 CO 0.00 -0.03 0.32 0.28 -1.32 0.00 0.00 176.35 175.60 1pco s THR 68 N 0.19 5.29 0.09 3.68 -1.32 -0.32 -4.57 115.64 118.68 1pco s THR 68 Ca -0.01 -0.52 -0.08 0.00 -1.21 0.00 0.00 61.69 59.87 1pco s THR 68 Cb -0.02 -3.72 -0.06 0.00 -1.51 0.00 0.00 72.50 67.19 1pco s THR 68 CO -0.01 -0.09 0.38 0.00 -2.21 0.00 0.00 174.62 172.70 1pco n GLU 70 N 0.66 0.00 0.00 0.00 -0.58 -0.37 -4.92 120.64 115.43 1pco n GLU 70 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1pco n GLU 70 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 1pco n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pco n GLY 71 N 5.00 -1.08 0.00 0.62 0.00 -1.26 -4.72 105.19 103.75 1pco n GLY 71 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1pco n GLY 71 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pco n ASP 72 N 0.00 0.00 -4.26 1.61 9.92 -1.26 -4.82 116.55 117.74 1pco n ASP 72 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1pco n ASP 72 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 1pco n ASP 72 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pco s LYS 73 N 0.00 1.09 0.00 -1.24 3.01 0.16 -4.94 119.74 117.82 1pco s LYS 73 Ca 0.00 -1.45 0.00 0.00 -1.01 0.00 0.00 55.97 53.51 1pco s LYS 73 Cb 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 37.83 36.12 1pco s LYS 73 CO 0.00 0.09 0.00 -1.13 0.51 0.00 0.00 175.35 174.82 1pco n SER 74 N -0.16 0.00 -1.86 2.83 3.41 -1.26 -4.01 113.62 112.57 1pco n SER 74 Ca -0.10 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.49 1pco n SER 74 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1pco n SER 74 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1pco n LEU 75 N -0.93 -3.40 0.00 1.04 -0.00 -1.26 -2.54 117.00 109.91 1pco n LEU 75 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1pco n LEU 75 Cb 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 43.42 41.82 1pco n LEU 75 CO 0.00 -0.48 0.00 0.55 -0.00 0.00 0.00 177.39 177.46 1pco n VAL 76 N -0.73 0.00 0.00 1.96 3.14 -1.26 -3.57 118.33 117.87 1pco n VAL 76 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 1pco n VAL 76 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 1pco n VAL 76 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pco n GLY 77 N 0.00 -0.12 0.06 7.55 0.00 -1.26 -5.03 105.19 106.38 1pco n GLY 77 Ca 0.00 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1pco n GLY 77 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pco n SER 78 N 0.00 0.37 0.00 1.61 2.88 -1.26 -4.45 113.62 112.77 1pco n SER 78 Ca 0.00 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1pco n SER 78 Cb 0.00 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 1pco n SER 78 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1pco n ILE 79 N -1.88 0.00 -0.99 2.46 2.08 -1.26 -4.94 119.36 114.84 1pco n ILE 79 Ca 0.05 0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.43 1pco n ILE 79 Cb 0.29 -0.90 0.00 0.00 -0.75 0.00 0.00 39.64 38.28 1pco n ILE 79 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1pco n THR 80 N -1.61 -2.47 -4.03 1.39 -2.24 -1.23 -4.88 114.28 99.21 1pco n THR 80 Ca 0.00 1.12 -0.34 0.00 -2.27 0.00 0.00 64.05 62.56 1pco n THR 80 Cb 0.00 -1.71 -0.15 0.00 -2.10 0.00 0.00 70.33 66.37 1pco n THR 80 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pco s ASN 81 N -3.94 3.88 -1.27 3.42 3.84 -1.05 -5.04 114.94 114.78 1pco s ASN 81 Ca 0.00 -0.79 -0.08 0.00 0.21 0.00 0.00 52.86 52.20 1pco s ASN 81 Cb 0.00 -1.59 0.18 0.00 -0.55 0.00 0.00 41.25 39.28 1pco s ASN 81 CO 0.00 -0.07 1.90 0.35 -2.79 0.00 0.00 177.10 176.48 1pco n THR 82 N 4.64 4.52 -3.31 -5.21 -2.24 -1.26 -4.19 114.28 107.23 1pco n THR 82 Ca -0.18 -4.52 -0.21 0.00 -2.27 0.00 0.00 64.05 56.87 1pco n THR 82 Cb 0.48 -2.30 -0.08 0.00 -2.10 0.00 0.00 70.33 66.33 1pco n THR 82 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1pco s ASN 83 N 0.56 1.22 0.49 3.42 3.84 -1.26 -5.12 114.94 118.08 1pco s ASN 83 Ca 0.40 -2.27 0.01 0.00 0.21 0.00 0.00 52.86 51.22 1pco s ASN 83 Cb 0.10 0.20 0.01 0.00 -0.55 0.00 0.00 41.25 41.02 1pco s ASN 83 CO 0.00 -0.21 0.70 -0.36 -2.79 0.00 0.00 177.10 174.45 1pco s PHE 84 N 0.78 3.04 0.97 0.43 0.40 -1.26 -0.66 117.98 121.68 1pco s PHE 84 Ca 0.25 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.55 1pco s PHE 84 Cb -0.08 -2.49 0.18 0.00 0.51 0.00 0.00 43.02 41.14 1pco s PHE 84 CO -0.09 -0.57 1.11 0.20 0.70 0.00 0.00 175.22 176.58 1pco s GLY 85 N -4.31 1.65 -0.08 4.36 0.00 -1.03 -4.41 107.32 103.50 1pco s GLY 85 Ca 0.52 0.39 -0.12 0.00 0.00 0.00 0.00 44.72 45.51 1pco s GLY 85 CO 0.38 0.88 0.30 -0.42 0.00 0.00 0.00 173.10 174.24 1pco s ILE 86 N -2.62 5.25 0.02 0.90 -1.09 -1.26 -0.07 121.20 122.32 1pco s ILE 86 Ca 0.67 0.58 -0.30 0.00 -2.23 0.00 0.00 60.65 59.37 1pco s ILE 86 Cb -0.23 -3.61 -0.07 0.00 -1.58 0.00 0.00 42.46 36.98 1pco s ILE 86 CO 0.59 0.53 1.54 0.00 -1.23 0.00 0.00 174.94 176.37 1pco s HIS 88 N 2.77 0.30 -0.17 0.00 3.76 0.38 -1.52 115.29 120.81 1pco s HIS 88 Ca 0.69 -0.77 -0.10 0.00 -0.15 0.00 0.00 55.06 54.73 1pco s HIS 88 Cb -0.35 -0.19 -0.05 0.00 1.11 0.00 0.00 32.58 33.10 1pco s HIS 88 CO 0.29 -0.47 0.16 1.21 -0.85 0.00 0.00 174.74 175.07 1pco s ASN 89 N -2.85 6.29 0.00 1.40 3.84 -1.26 -1.17 114.94 121.19 1pco s ASN 89 Ca 0.05 0.33 0.15 0.00 0.21 0.00 0.00 52.86 53.61 1pco s ASN 89 Cb 0.06 -2.10 0.30 0.00 -0.55 0.00 0.00 41.25 38.96 1pco s ASN 89 CO -0.10 0.23 1.20 0.52 -2.79 0.00 0.00 177.10 176.16 1pco n VAL 90 N 3.12 0.56 0.06 -5.21 0.31 -1.26 -4.76 118.33 111.15 1pco n VAL 90 Ca -0.16 -0.78 -0.12 0.00 -0.01 0.00 0.00 64.34 63.26 1pco n VAL 90 Cb 0.53 0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 34.24 1pco n VAL 90 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1pco h GLY 91 N 2.98 -0.07 -7.68 2.92 0.00 -1.96 -3.33 103.07 95.93 1pco h GLY 91 Ca 0.00 0.02 -0.70 0.00 0.00 0.00 0.00 47.33 46.65 1pco h GLY 91 CO 0.00 -0.02 1.56 -1.60 0.00 0.00 0.00 176.54 176.48 1pco s ARG 92 N -5.95 3.97 0.00 4.80 3.52 -1.26 -5.34 118.95 118.69 1pco s ARG 92 Ca -0.14 -2.21 0.00 0.00 -0.13 0.00 0.00 55.73 53.26 1pco s ARG 92 Cb 0.05 -5.21 0.00 0.00 -1.56 0.00 0.00 34.95 28.23 1pco s ARG 92 CO 0.66 -1.95 0.00 -1.13 -0.81 0.00 0.00 175.30 172.07