#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pco h PRO 2 N 0.00 0.44 -4.56 7.34 0.13 -2.14 -3.40 132.00 129.80 1pco h PRO 2 Ca 0.00 -0.32 -0.68 0.00 -0.87 0.00 0.00 66.00 64.13 1pco h PRO 2 Cb 0.00 0.06 -0.37 0.00 0.13 0.00 0.00 31.00 30.82 1pco h PRO 2 CO 0.00 0.95 -0.63 0.34 -0.23 0.00 0.00 178.00 178.43 1pco s ASP 3 N -6.95 5.02 0.15 1.44 2.15 -1.26 -5.12 116.67 112.10 1pco s ASP 3 Ca -0.06 -2.11 -0.31 0.00 0.43 0.00 0.00 52.55 50.49 1pco s ASP 3 Cb 0.11 -1.74 -0.10 0.00 -0.30 0.00 0.00 42.92 40.89 1pco s ASP 3 CO 0.84 -0.46 1.62 -2.84 -0.17 0.00 0.00 175.17 174.15 1pco s PRO 4 N 1.00 4.20 0.00 4.34 0.02 -1.26 -4.94 135.00 138.35 1pco s PRO 4 Ca 0.10 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1pco s PRO 4 Cb -0.21 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1pco s PRO 4 CO -0.06 -0.66 1.25 2.89 -0.33 0.00 0.00 177.00 180.09 1pco n ARG 5 N 4.38 0.89 -3.91 5.54 0.00 -1.26 -4.85 116.66 117.45 1pco n ARG 5 Ca 0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.70 1pco n ARG 5 Cb 0.38 -1.06 0.03 0.00 -0.00 0.00 0.00 32.46 31.81 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 0.97 -0.48 1.96 2.89 0.00 -1.26 -3.62 105.19 105.64 1pco n GLY 6 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1pco n GLY 6 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pco n ILE 7 N -4.66 0.00 -3.53 -0.61 3.06 -1.26 -4.36 119.36 108.00 1pco n ILE 7 Ca 0.02 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.89 1pco n ILE 7 Cb 0.54 -0.52 0.03 0.00 0.54 0.00 0.00 39.64 40.23 1pco n ILE 7 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1pco n ILE 8 N -1.08 -3.70 -3.37 9.51 -5.35 -1.24 -4.96 119.36 109.18 1pco n ILE 8 Ca -0.04 0.06 -0.38 0.00 -0.27 0.00 0.00 62.75 62.12 1pco n ILE 8 Cb 0.21 -3.37 -0.06 0.00 -1.74 0.00 0.00 39.64 34.68 1pco n ILE 8 CO 0.00 0.00 0.00 0.27 -1.76 0.00 0.00 176.55 175.06 1pco s ILE 9 N -1.64 4.98 -0.43 7.28 -4.36 -1.26 -5.04 121.20 120.74 1pco s ILE 9 Ca 0.33 1.01 0.07 0.00 -0.26 0.00 0.00 60.65 61.80 1pco s ILE 9 Cb -0.03 -3.81 0.24 0.00 1.25 0.00 0.00 42.46 40.11 1pco s ILE 9 CO 0.87 0.49 0.63 0.59 0.24 0.00 0.00 174.94 177.76 1pco n ASN 10 N 2.36 -0.90 -4.03 4.36 3.02 -1.25 -4.73 115.26 114.07 1pco n ASN 10 Ca -0.11 -2.87 -0.21 0.00 -0.03 0.00 0.00 54.58 51.37 1pco n ASN 10 Cb 0.52 0.18 -0.15 0.00 -0.61 0.00 0.00 39.78 39.72 1pco n ASN 10 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pco s LEU 11 N -0.91 1.85 0.76 3.41 1.02 -1.22 -4.93 118.68 118.66 1pco s LEU 11 Ca 0.34 -0.22 -0.08 0.00 0.02 0.00 0.00 54.13 54.19 1pco s LEU 11 Cb 0.18 -0.63 0.10 0.00 0.02 0.00 0.00 46.19 45.85 1pco s LEU 11 CO -0.16 0.09 1.08 -1.81 0.02 0.00 0.00 176.35 175.57 1pco s ASP 12 N 0.09 4.44 -0.33 2.29 1.01 -1.26 -0.64 116.67 122.27 1pco s ASP 12 Ca -0.02 0.34 -0.29 0.00 0.71 0.00 0.00 52.55 53.29 1pco s ASP 12 Cb -0.08 -0.83 0.01 0.00 1.01 0.00 0.00 42.92 43.02 1pco s ASP 12 CO 0.01 -1.85 1.25 -1.61 0.21 0.00 0.00 175.17 173.17 1pco s GLU 13 N -5.37 3.91 0.00 8.23 8.01 -1.26 -3.45 118.70 128.77 1pco s GLU 13 Ca 0.63 1.13 0.00 0.00 0.01 0.00 0.00 54.97 56.74 1pco s GLU 13 Cb -0.09 -3.86 0.00 0.00 -4.31 0.00 0.00 34.13 25.87 1pco s GLU 13 CO 0.46 -1.13 0.00 0.41 0.01 0.00 0.00 175.26 175.02 1pco n GLY 14 N 4.32 0.61 3.56 -1.39 0.00 0.19 -4.90 105.19 107.57 1pco n GLY 14 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 2.03 0.36 1.61 0.41 -1.22 -4.85 118.70 117.04 1pco s GLU 15 Ca 0.00 -1.29 -0.21 0.00 -0.41 0.00 0.00 54.97 53.06 1pco s GLU 15 Cb 0.00 -2.14 -0.10 0.00 -1.78 0.00 0.00 34.13 30.11 1pco s GLU 15 CO 0.00 0.43 0.88 -0.51 -0.49 0.00 0.00 175.26 175.57 1pco s LEU 16 N -2.85 4.11 0.00 1.80 1.02 -1.26 -1.68 118.68 119.81 1pco s LEU 16 Ca 0.25 1.61 0.06 0.00 0.02 0.00 0.00 54.13 56.07 1pco s LEU 16 Cb -0.09 -4.21 -0.02 0.00 0.02 0.00 0.00 46.19 41.89 1pco s LEU 16 CO 0.15 -0.21 0.23 0.00 0.02 0.00 0.00 176.35 176.54 1pco n LEU 18 N 0.00 0.04 0.00 0.00 7.94 -1.26 -4.80 117.00 118.92 1pco n LEU 18 Ca 0.04 0.01 -0.07 0.00 -1.11 0.00 0.00 56.01 54.88 1pco n LEU 18 Cb 0.57 -0.29 0.03 0.00 0.53 0.00 0.00 43.42 44.26 1pco n LEU 18 CO 0.29 -0.29 0.16 0.59 -1.11 0.00 0.00 177.39 177.03 1pco n ASN 19 N -2.06 0.52 0.08 1.96 3.02 -1.26 -4.73 115.26 112.78 1pco n ASN 19 Ca 0.00 -1.41 -0.09 0.00 -0.03 0.00 0.00 54.58 53.05 1pco n ASN 19 Cb 0.00 -0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 38.92 1pco n ASN 19 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1pco h SER 20 N -0.12 0.17 0.00 6.41 0.02 -1.62 -3.38 113.55 115.03 1pco h SER 20 Ca -0.10 -0.16 -0.69 0.00 -0.84 0.00 0.00 61.79 60.00 1pco h SER 20 Cb 0.40 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1pco h SER 20 CO 0.12 1.04 3.45 0.00 -1.14 0.00 0.00 176.83 180.31 1pco n ALA 21 N -2.43 6.43 0.00 3.77 0.00 -1.26 -3.84 120.51 123.19 1pco n ALA 21 Ca -0.03 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.71 1pco n ALA 21 Cb 0.89 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.87 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 4.96 0.00 -2.83 0.00 1.13 -1.26 -4.99 117.38 114.40 1pco n GLN 22 Ca 0.64 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 55.31 1pco n GLN 22 Cb 0.32 -0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.60 1pco n GLN 22 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pco h LYS 24 N 4.03 0.03 0.00 0.00 1.57 -1.17 -3.23 116.57 117.79 1pco h LYS 24 Ca -0.46 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1pco h LYS 24 Cb 1.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1pco h LYS 24 CO 0.67 0.02 0.00 0.45 -0.57 0.00 0.00 179.45 180.02 1pco n SER 25 N -4.35 0.00 0.00 0.86 2.88 -1.26 -5.07 113.62 106.68 1pco n SER 25 Ca 0.13 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1pco n SER 25 Cb 0.73 -0.17 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1pco n SER 25 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1pco n ASN 26 N -1.00 0.00 -4.48 -3.46 2.85 -1.22 -5.10 115.26 102.85 1pco n ASN 26 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 1pco n ASN 26 Cb 0.00 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 40.93 1pco n ASN 26 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pco s GLN 29 N 2.12 3.39 0.49 0.00 -0.44 -0.59 -1.00 119.66 123.62 1pco s GLN 29 Ca 0.15 -0.72 -0.13 0.00 -2.50 0.00 0.00 55.36 52.16 1pco s GLN 29 Cb -0.16 -3.84 -0.07 0.00 -1.64 0.00 0.00 33.01 27.30 1pco s GLN 29 CO 0.10 -0.51 0.91 -1.58 0.50 0.00 0.00 175.29 174.71 1pco s HIS 30 N 1.72 3.49 -0.06 1.67 5.65 0.89 -1.20 115.29 127.44 1pco s HIS 30 Ca 0.06 1.26 -0.00 0.00 0.25 0.00 0.00 55.06 56.63 1pco s HIS 30 Cb -0.18 -2.64 0.04 0.00 -1.18 0.00 0.00 32.58 28.63 1pco s HIS 30 CO 0.10 -0.31 2.03 -0.40 -0.65 0.00 0.00 174.74 175.51 1pco n ASP 31 N -1.66 5.57 -2.50 9.88 5.68 -0.06 -4.53 116.55 128.93 1pco n ASP 31 Ca 0.05 -2.54 -0.00 0.00 -0.50 0.00 0.00 54.79 51.80 1pco n ASP 31 Cb 0.54 -1.12 -0.00 0.00 -1.14 0.00 0.00 41.12 39.40 1pco n ASP 31 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1pco n THR 32 N 1.29-10.34 0.00 2.12 -2.24 -1.26 -4.39 114.28 99.46 1pco n THR 32 Ca 0.06 1.54 0.00 0.00 -2.27 0.00 0.00 64.05 63.39 1pco n THR 32 Cb 0.52 -6.44 0.00 0.00 -2.10 0.00 0.00 70.33 62.31 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 0.59 0.00 0.00 2.28 -0.00 -1.26 -4.35 119.36 116.61 1pco n ILE 33 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1pco n ILE 33 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1pco n ILE 33 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1pco n LEU 34 N 0.00 0.43 0.00 1.39 4.77 -1.26 -5.10 117.00 117.23 1pco n LEU 34 Ca 0.00 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1pco n LEU 34 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1pco n LEU 34 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.52 1pco n SER 35 N -0.13 0.49 -3.51 -1.43 3.41 -1.26 -5.01 113.62 106.18 1pco n SER 35 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.33 1pco n SER 35 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 1pco n SER 35 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1pco n LEU 36 N 0.00 -3.17 -4.35 1.04 7.94 -1.26 -0.88 117.00 116.32 1pco n LEU 36 Ca 0.00 -0.36 -0.46 0.00 -1.11 0.00 0.00 56.01 54.08 1pco n LEU 36 Cb 0.00 -1.92 -0.01 0.00 0.53 0.00 0.00 43.42 42.01 1pco n LEU 36 CO 0.00 -0.20 0.62 -0.44 -1.11 0.00 0.00 177.39 176.26 1pco s SER 37 N -2.22 6.94 -0.12 1.96 0.01 -1.26 -3.01 113.70 116.00 1pco s SER 37 Ca 0.21 -2.94 0.03 0.00 1.31 0.00 0.00 55.95 54.56 1pco s SER 37 Cb -0.03 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1pco s SER 37 CO 0.86 -0.53 -0.23 -0.60 0.41 0.00 0.00 173.24 173.16 1pco s ARG 38 N -0.04 2.98 0.34 12.44 3.00 -0.34 -1.38 118.95 135.95 1pco s ARG 38 Ca 0.24 -0.85 -0.28 0.00 -1.00 0.00 0.00 55.73 53.84 1pco s ARG 38 Cb -0.09 -2.33 -0.10 0.00 0.00 0.00 0.00 34.95 32.43 1pco s ARG 38 CO -0.08 0.08 1.31 0.00 0.00 0.00 0.00 175.30 176.61 1pco s ALA 40 N -1.16 1.12 0.63 0.00 0.00 -1.13 -0.64 121.76 120.58 1pco s ALA 40 Ca 0.50 -1.67 -0.07 0.00 0.00 0.00 0.00 51.96 50.72 1pco s ALA 40 Cb -0.40 1.35 0.02 0.00 0.00 0.00 0.00 23.12 24.09 1pco s ALA 40 CO 0.53 -0.66 0.96 -0.48 0.00 0.00 0.00 175.76 176.10 1pco s LEU 41 N -3.20 3.10 0.42 0.00 0.05 -1.26 -4.70 118.68 113.10 1pco s LEU 41 Ca 0.36 0.76 -0.23 0.00 0.05 0.00 0.00 54.13 55.07 1pco s LEU 41 Cb 0.04 -3.55 -0.09 0.00 -2.05 0.00 0.00 46.19 40.55 1pco s LEU 41 CO 0.16 -1.20 1.07 -0.54 -0.55 0.00 0.00 176.35 175.29 1pco s LYS 42 N -5.10 4.04 0.74 1.48 -0.14 -1.26 -4.72 119.74 114.78 1pco s LYS 42 Ca 0.56 1.53 -0.11 0.00 -1.36 0.00 0.00 55.97 56.58 1pco s LYS 42 Cb -0.11 -2.45 0.04 0.00 -1.68 0.00 0.00 37.83 33.63 1pco s LYS 42 CO 0.46 -0.25 1.09 0.00 -0.76 0.00 0.00 175.35 175.89 1pco s ALA 43 N -1.69 2.61 0.25 5.17 0.00 -0.17 -4.59 121.76 123.34 1pco s ALA 43 Ca 0.60 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.37 1pco s ALA 43 Cb -0.22 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1pco s ALA 43 CO 0.27 -1.38 -0.03 1.03 0.00 0.00 0.00 175.76 175.66 1pco s ARG 44 N -5.24 1.43 -0.11 0.00 0.52 -1.26 -1.51 118.95 112.78 1pco s ARG 44 Ca 0.59 -1.72 -0.41 0.00 -0.52 0.00 0.00 55.73 53.67 1pco s ARG 44 Cb -0.13 -0.84 -0.19 0.00 0.52 0.00 0.00 34.95 34.32 1pco s ARG 44 CO 0.53 -0.04 1.33 -1.91 0.02 0.00 0.00 175.30 175.23 1pco n GLU 45 N -0.49 0.44 -1.18 3.54 2.13 -1.26 -1.81 120.64 122.01 1pco n GLU 45 Ca -0.05 0.16 -0.06 0.00 0.66 0.00 0.00 57.16 57.86 1pco n GLU 45 Cb 0.64 -1.72 -0.03 0.00 0.27 0.00 0.00 31.44 30.60 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 2.75 -4.00 -4.45 4.31 3.02 0.01 -4.98 115.26 111.92 1pco n ASN 46 Ca 0.23 0.16 -0.29 0.00 -0.03 0.00 0.00 54.58 54.64 1pco n ASN 46 Cb 0.09 -2.06 -0.12 0.00 -0.61 0.00 0.00 39.78 37.08 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 -2.73 3.67 0.01 6.41 0.15 -0.75 -4.89 113.70 115.56 1pco s SER 47 Ca 0.00 -0.64 -0.30 0.00 0.70 0.00 0.00 55.95 55.71 1pco s SER 47 Cb 0.00 -0.42 -0.07 0.00 -1.71 0.00 0.00 66.02 63.82 1pco s SER 47 CO 0.00 0.17 1.69 -1.83 1.20 0.00 0.00 173.24 174.47 1pco s GLU 48 N -2.16 4.19 -0.08 5.44 -1.05 -1.26 -0.41 118.70 123.37 1pco s GLU 48 Ca 0.17 2.29 0.02 0.00 -0.15 0.00 0.00 54.97 57.30 1pco s GLU 48 Cb -0.10 -3.86 -0.02 0.00 -0.44 0.00 0.00 34.13 29.71 1pco s GLU 48 CO 0.09 -0.81 -0.12 0.00 0.95 0.00 0.00 175.26 175.37 1pco s SER 50 N -0.46 6.07 0.38 0.00 0.15 -0.44 -0.36 113.70 119.04 1pco s SER 50 Ca 0.06 -0.37 0.20 0.00 0.70 0.00 0.00 55.95 56.54 1pco s SER 50 Cb -0.12 -2.14 0.29 0.00 -1.71 0.00 0.00 66.02 62.34 1pco s SER 50 CO 0.02 -0.23 1.57 0.00 1.20 0.00 0.00 173.24 175.79 1pco h ALA 51 N 8.48 0.86 -2.90 5.45 0.00 -1.87 -3.40 119.26 125.89 1pco h ALA 51 Ca -0.31 -0.20 -0.42 0.00 0.00 0.00 0.00 54.91 53.98 1pco h ALA 51 Cb 1.16 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 1pco h ALA 51 CO 0.63 0.28 -0.76 -0.06 0.00 0.00 0.00 179.25 179.34 1pco s PHE 52 N -3.15 1.41 -2.87 0.00 0.08 -1.26 -5.02 117.98 107.18 1pco s PHE 52 Ca 0.05 -0.55 0.00 0.00 0.12 0.00 0.00 56.93 56.55 1pco s PHE 52 Cb 0.06 -0.73 0.00 0.00 -0.57 0.00 0.00 43.02 41.78 1pco s PHE 52 CO 0.70 0.15 0.00 -2.37 -0.10 0.00 0.00 175.22 173.59 1pco n THR 53 N 0.53 0.00 0.00 0.64 5.66 -1.26 -4.74 114.28 115.11 1pco n THR 53 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1pco n THR 53 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 1pco n THR 53 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1pco n LEU 54 N 0.00 0.00 0.12 1.09 4.77 -1.26 -4.81 117.00 116.92 1pco n LEU 54 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1pco n LEU 54 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1pco n LEU 54 CO 0.00 0.00 0.40 1.88 -1.33 0.00 0.00 177.39 178.34 1pco h TYR 55 N 0.00 0.00 -4.14 -1.77 0.05 -1.99 -3.43 116.97 105.69 1pco h TYR 55 Ca 0.00 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.28 1pco h TYR 55 Cb 0.00 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.79 1pco h TYR 55 CO 0.00 0.64 0.33 0.20 -1.05 0.00 0.00 178.16 178.28 1pco s GLY 56 N -4.52 1.63 0.21 3.88 0.00 -1.26 -1.93 107.32 105.34 1pco s GLY 56 Ca 0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 44.72 44.25 1pco s GLY 56 CO 0.76 0.05 1.25 0.14 0.00 0.00 0.00 173.10 175.30 1pco s VAL 57 N -3.04 3.31 0.03 1.40 1.01 -1.26 -4.54 120.40 117.31 1pco s VAL 57 Ca 0.53 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 63.34 1pco s VAL 57 Cb -0.11 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1pco s VAL 57 CO 0.51 0.19 1.59 -0.31 0.00 0.00 0.00 175.10 177.07 1pco s TYR 58 N -0.18 2.46 0.14 5.22 2.02 -0.17 -4.60 117.35 122.23 1pco s TYR 58 Ca 0.53 0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 57.55 1pco s TYR 58 Cb -0.35 -3.88 -0.04 0.00 -0.40 0.00 0.00 41.96 37.29 1pco s TYR 58 CO 0.39 -3.49 1.48 1.88 -1.57 0.00 0.00 175.55 174.25 1pco h TYR 59 N 8.40 1.07 -1.95 2.71 0.05 -1.85 0.25 116.97 125.65 1pco h TYR 59 Ca -0.41 -0.30 -0.23 0.00 0.05 0.00 0.00 58.73 57.84 1pco h TYR 59 Cb 1.19 -0.23 -0.31 0.00 1.01 0.00 0.00 36.73 38.39 1pco h TYR 59 CO 0.79 1.11 -0.55 0.15 -1.05 0.00 0.00 178.16 178.61 1pco s LYS 60 N -4.47 0.35 -0.12 4.88 -0.14 -1.26 -3.98 119.74 114.99 1pco s LYS 60 Ca -0.11 0.18 -0.41 0.00 -1.36 0.00 0.00 55.97 54.26 1pco s LYS 60 Cb 0.11 -0.53 -0.20 0.00 -1.68 0.00 0.00 37.83 35.53 1pco s LYS 60 CO 0.87 -0.89 1.19 0.00 -0.76 0.00 0.00 175.35 175.76 1pco n PRO 62 N 2.09 -0.74 -2.17 0.00 -0.02 -1.26 -3.32 135.00 129.58 1pco n PRO 62 Ca 0.23 -0.20 -0.37 0.00 -2.02 0.00 0.00 63.50 61.13 1pco n PRO 62 Cb 0.05 -1.48 -0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1pco n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pco n GLU 64 N -0.52 -2.99 -1.66 0.00 -0.00 -0.57 -4.76 120.64 110.15 1pco n GLU 64 Ca 0.07 -1.54 -0.43 0.00 -0.00 0.00 0.00 57.16 55.26 1pco n GLU 64 Cb 0.47 -1.47 -0.03 0.00 -0.00 0.00 0.00 31.44 30.42 1pco n GLU 64 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1pco s ARG 65 N -5.19 3.38 0.00 3.44 3.00 -1.26 -1.99 118.95 120.33 1pco s ARG 65 Ca 0.63 2.12 0.00 0.00 0.00 0.00 0.00 55.73 58.48 1pco s ARG 65 Cb -0.06 -4.31 0.00 0.00 0.00 0.00 0.00 34.95 30.58 1pco s ARG 65 CO 0.48 -1.82 0.00 0.41 0.00 0.00 0.00 175.30 174.38 1pco n GLY 66 N 5.44 3.05 3.76 -3.53 0.00 -1.26 -4.95 105.19 107.70 1pco n GLY 66 Ca 0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 1pco n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pco s LEU 67 N 0.00 3.72 0.23 0.99 1.02 -0.84 -4.03 118.68 119.77 1pco s LEU 67 Ca 0.00 -0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.13 1pco s LEU 67 Cb 0.00 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.78 1pco s LEU 67 CO 0.00 0.13 0.09 0.28 0.02 0.00 0.00 176.35 176.87 1pco s THR 68 N -1.52 4.01 -0.26 5.49 -1.32 0.20 -4.55 115.64 117.70 1pco s THR 68 Ca 0.29 -1.52 -0.19 0.00 -1.21 0.00 0.00 61.69 59.06 1pco s THR 68 Cb -0.11 -3.12 -0.02 0.00 -1.51 0.00 0.00 72.50 67.74 1pco s THR 68 CO 0.22 -0.28 0.58 0.00 -2.21 0.00 0.00 174.62 172.93 1pco n GLU 70 N 5.64 1.61 -2.68 0.00 2.13 -0.56 -4.91 120.64 121.86 1pco n GLU 70 Ca -0.02 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.75 1pco n GLU 70 Cb 0.49 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.28 1pco n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pco n GLY 71 N 5.00 -1.33 1.46 8.31 0.00 -1.26 -4.24 105.19 113.13 1pco n GLY 71 Ca 0.00 0.80 -0.07 0.00 0.00 0.00 0.00 46.02 46.75 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 1.41 3.22 0.00 1.61 8.00 -1.21 -4.93 116.55 124.66 1pco n ASP 72 Ca 0.02 -3.57 0.00 0.00 0.71 0.00 0.00 54.79 51.95 1pco n ASP 72 Cb 0.70 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1pco n ASP 72 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pco n LYS 73 N -0.94 0.00 -3.25 -1.24 5.02 -0.57 -4.70 118.16 112.48 1pco n LYS 73 Ca 0.39 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.53 1pco n LYS 73 Cb 1.20 -0.19 0.08 0.00 -0.02 0.00 0.00 35.03 36.10 1pco n LYS 73 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1pco n SER 74 N 0.91 -2.18 0.14 4.39 7.64 -1.26 -3.98 113.62 119.29 1pco n SER 74 Ca 0.00 -0.55 0.02 0.00 1.01 0.00 0.00 58.87 59.35 1pco n SER 74 Cb 0.00 -4.58 0.13 0.00 -1.01 0.00 0.00 64.21 58.76 1pco n SER 74 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1pco h LEU 75 N -1.65 0.00 -6.96 -3.43 5.85 -1.91 -3.38 115.31 103.84 1pco h LEU 75 Ca -0.52 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.62 1pco h LEU 75 Cb 1.30 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1pco h LEU 75 CO 0.44 0.55 2.09 0.55 -0.34 0.00 0.00 178.44 181.73 1pco n VAL 76 N -3.41 2.34 0.00 1.05 3.14 -1.26 -2.99 118.33 117.20 1pco n VAL 76 Ca 0.01 -2.20 0.00 0.00 -2.96 0.00 0.00 64.34 59.19 1pco n VAL 76 Cb 0.67 -2.33 0.00 0.00 -1.06 0.00 0.00 33.84 31.13 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 4.89 1.43 3.30 7.55 0.00 -1.26 -5.08 105.19 116.02 1pco n GLY 77 Ca 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 1pco n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pco s SER 78 N -1.43 -0.37 -0.04 1.61 0.15 -1.16 -5.10 113.70 107.36 1pco s SER 78 Ca 0.00 0.58 -0.04 0.00 0.70 0.00 0.00 55.95 57.18 1pco s SER 78 Cb 0.00 0.65 -0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1pco s SER 78 CO 0.00 -0.28 0.25 -0.29 1.20 0.00 0.00 173.24 174.12 1pco h ILE 79 N 4.18 0.00 -3.14 6.45 6.09 -1.89 -3.47 117.51 125.72 1pco h ILE 79 Ca -0.28 -0.49 -0.46 0.00 -1.37 0.00 0.00 64.86 62.27 1pco h ILE 79 Cb 1.18 0.00 0.05 0.00 0.47 0.00 0.00 36.82 38.51 1pco h ILE 79 CO 0.31 0.00 0.05 0.42 -3.07 0.00 0.00 178.15 175.85 1pco s THR 80 N -1.97 3.48 -0.36 2.19 -4.23 -1.26 -5.10 115.64 108.39 1pco s THR 80 Ca -0.02 -0.32 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 1pco s THR 80 Cb 0.00 -3.34 0.15 0.00 1.34 0.00 0.00 72.50 70.65 1pco s THR 80 CO 0.07 -0.30 0.33 0.21 -0.54 0.00 0.00 174.62 174.39 1pco s ASN 81 N -4.31 1.63 0.00 3.99 2.47 -1.26 -4.94 114.94 112.52 1pco s ASN 81 Ca 0.53 -1.60 0.00 0.00 0.42 0.00 0.00 52.86 52.21 1pco s ASN 81 Cb -0.10 0.35 0.00 0.00 -1.45 0.00 0.00 41.25 40.04 1pco s ASN 81 CO 0.41 -0.29 0.00 0.35 -3.72 0.00 0.00 177.10 173.86 1pco n THR 82 N 4.34 0.00 -3.29 -5.21 -2.24 -1.26 -4.99 114.28 101.62 1pco n THR 82 Ca 0.09 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.65 1pco n THR 82 Cb 0.44 -0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 67.72 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 -1.00 1.10 0.31 3.42 3.84 -1.26 -5.03 114.94 116.32 1pco s ASN 83 Ca 0.00 -2.55 0.09 0.00 0.21 0.00 0.00 52.86 50.61 1pco s ASN 83 Cb 0.00 0.08 -0.04 0.00 -0.55 0.00 0.00 41.25 40.74 1pco s ASN 83 CO 0.00 -0.18 0.05 -0.36 -2.79 0.00 0.00 177.10 173.82 1pco s PHE 84 N 0.50 2.67 0.00 0.43 0.08 -1.26 -4.12 117.98 116.28 1pco s PHE 84 Ca 0.29 -0.32 0.00 0.00 0.12 0.00 0.00 56.93 57.02 1pco s PHE 84 Cb -0.03 -1.40 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 1pco s PHE 84 CO -0.13 0.50 0.00 0.41 -0.10 0.00 0.00 175.22 175.90 1pco n GLY 85 N -0.99 5.34 3.14 4.36 0.00 0.52 -1.51 105.19 116.04 1pco n GLY 85 Ca -0.05 -1.32 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 1pco n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pco s ILE 86 N -0.09 1.17 0.08 -0.61 -1.09 -1.26 -1.84 121.20 117.57 1pco s ILE 86 Ca 0.00 -0.81 -0.31 0.00 -2.23 0.00 0.00 60.65 57.30 1pco s ILE 86 Cb 0.00 -1.02 -0.07 0.00 -1.58 0.00 0.00 42.46 39.80 1pco s ILE 86 CO 0.00 0.19 1.33 0.00 -1.23 0.00 0.00 174.94 175.23 1pco s HIS 88 N 1.24 0.39 -0.17 0.00 3.76 -0.83 -0.81 115.29 118.87 1pco s HIS 88 Ca 0.63 -0.81 -0.15 0.00 -0.15 0.00 0.00 55.06 54.58 1pco s HIS 88 Cb -0.34 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.02 1pco s HIS 88 CO 0.29 -0.31 0.34 1.21 -0.85 0.00 0.00 174.74 175.42 1pco s ASN 89 N -2.30 6.45 -0.61 1.40 3.84 -1.26 -0.63 114.94 121.83 1pco s ASN 89 Ca -0.03 0.53 -0.00 0.00 0.21 0.00 0.00 52.86 53.57 1pco s ASN 89 Cb 0.00 -2.20 0.45 0.00 -0.55 0.00 0.00 41.25 38.95 1pco s ASN 89 CO -0.06 0.04 1.90 1.33 -2.79 0.00 0.00 177.10 177.51 1pco n VAL 90 N 3.83 3.45 0.00 -5.21 0.24 -1.26 -4.99 118.33 114.39 1pco n VAL 90 Ca -0.10 -3.20 0.00 0.00 -2.04 0.00 0.00 64.34 58.99 1pco n VAL 90 Cb 0.52 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 1pco n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pco n GLY 91 N -0.87 2.16 3.49 7.63 0.00 -1.26 -4.83 105.19 111.51 1pco n GLY 91 Ca 0.59 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 46.10 1pco n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pco s ARG 92 N 0.00 4.01 0.00 1.61 3.52 -1.26 -5.19 118.95 121.63 1pco s ARG 92 Ca 0.00 -2.32 0.04 0.00 -0.13 0.00 0.00 55.73 53.32 1pco s ARG 92 Cb 0.00 -5.18 0.03 0.00 -1.56 0.00 0.00 34.95 28.24 1pco s ARG 92 CO 0.00 -1.90 0.62 0.45 -0.81 0.00 0.00 175.30 173.65