#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pco n PRO 2 N 0.00 3.08 -3.54 5.55 -0.04 -1.26 -4.96 135.00 133.84 1pco n PRO 2 Ca 0.00 -3.03 -0.42 0.00 -0.04 0.00 0.00 63.50 60.01 1pco n PRO 2 Cb 0.00 -3.34 -0.10 0.00 -0.04 0.00 0.00 33.50 30.01 1pco n PRO 2 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pco s ASP 3 N 3.47 5.88 0.08 3.54 -1.08 -1.26 -5.00 116.67 122.30 1pco s ASP 3 Ca 0.49 -1.04 0.20 0.00 -0.52 0.00 0.00 52.55 51.68 1pco s ASP 3 Cb 0.08 -2.08 0.82 0.00 -1.46 0.00 0.00 42.92 40.28 1pco s ASP 3 CO -0.00 -0.44 1.62 -0.81 0.52 0.00 0.00 175.17 176.05 1pco n PRO 4 N 5.06 0.07 0.00 4.34 -0.04 -1.26 -4.96 135.00 138.20 1pco n PRO 4 Ca -0.11 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1pco n PRO 4 Cb 0.46 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 1pco n PRO 4 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1pco n ARG 5 N -1.73 0.00 -0.21 0.54 1.74 -1.26 -4.42 116.66 111.31 1pco n ARG 5 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1pco n ARG 5 Cb 0.23 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.67 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pco n GLY 6 N 0.00 0.75 3.11 -0.13 0.00 -1.26 -5.04 105.19 102.63 1pco n GLY 6 Ca 0.00 -0.50 -0.43 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.16 3.84 0.00 -0.61 0.13 -1.26 -4.74 119.36 116.55 1pco n ILE 7 Ca 0.00 -3.77 0.00 0.00 -1.10 0.00 0.00 62.75 57.88 1pco n ILE 7 Cb 0.06 -2.47 0.00 0.00 -0.84 0.00 0.00 39.64 36.39 1pco n ILE 7 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1pco n ILE 8 N 5.21 -0.99 -3.49 9.51 2.08 -1.26 -5.04 119.36 125.38 1pco n ILE 8 Ca 0.48 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 63.43 1pco n ILE 8 Cb 0.41 -0.12 -0.06 0.00 -0.75 0.00 0.00 39.64 39.13 1pco n ILE 8 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1pco s ILE 9 N -1.87 5.00 -0.25 1.39 -4.36 -1.26 -5.09 121.20 114.75 1pco s ILE 9 Ca 0.00 0.65 -0.02 0.00 -0.26 0.00 0.00 60.65 61.01 1pco s ILE 9 Cb 0.00 -3.69 0.12 0.00 1.25 0.00 0.00 42.46 40.14 1pco s ILE 9 CO 0.00 0.32 0.31 0.20 0.24 0.00 0.00 174.94 176.00 1pco s ASN 10 N -1.64 1.02 -0.23 4.36 0.01 -1.03 -4.42 114.94 113.01 1pco s ASN 10 Ca 0.33 -0.25 -0.07 0.00 -0.71 0.00 0.00 52.86 52.16 1pco s ASN 10 Cb -0.15 0.71 0.11 0.00 0.41 0.00 0.00 41.25 42.33 1pco s ASN 10 CO 0.18 -0.34 0.47 -0.22 -1.51 0.00 0.00 177.10 175.68 1pco s LEU 11 N 2.42 -0.78 0.82 0.60 2.96 -1.11 -4.84 118.68 118.75 1pco s LEU 11 Ca 0.10 1.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.93 1pco s LEU 11 Cb -0.15 1.56 0.08 0.00 0.50 0.00 0.00 46.19 48.19 1pco s LEU 11 CO -0.21 -0.24 1.10 -1.81 -1.32 0.00 0.00 176.35 173.87 1pco s ASP 12 N 2.68 4.31 0.16 3.68 1.01 -1.26 -2.71 116.67 124.54 1pco s ASP 12 Ca -0.00 1.34 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 1pco s ASP 12 Cb -0.12 -2.06 -0.08 0.00 1.01 0.00 0.00 42.92 41.66 1pco s ASP 12 CO -0.15 -2.09 1.32 -1.61 0.21 0.00 0.00 175.17 172.85 1pco s GLU 13 N -5.12 4.37 0.00 8.23 8.01 -1.26 -3.38 118.70 129.56 1pco s GLU 13 Ca 0.61 2.04 0.00 0.00 0.01 0.00 0.00 54.97 57.63 1pco s GLU 13 Cb -0.15 -3.22 0.00 0.00 -4.31 0.00 0.00 34.13 26.45 1pco s GLU 13 CO 0.55 -0.30 0.00 0.41 0.01 0.00 0.00 175.26 175.93 1pco n GLY 14 N 2.74 0.39 3.89 -1.39 0.00 0.18 -4.94 105.19 106.07 1pco n GLY 14 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.80 3.48 0.25 1.61 0.41 -1.22 -4.80 118.70 117.65 1pco s GLU 15 Ca 0.00 -0.20 -0.30 0.00 -0.41 0.00 0.00 54.97 54.07 1pco s GLU 15 Cb 0.00 -3.12 -0.10 0.00 -1.78 0.00 0.00 34.13 29.14 1pco s GLU 15 CO 0.00 0.69 1.36 -0.51 -0.49 0.00 0.00 175.26 176.31 1pco s LEU 16 N -1.65 4.41 0.01 1.80 1.02 -1.26 -1.53 118.68 121.48 1pco s LEU 16 Ca 0.24 2.58 0.01 0.00 0.02 0.00 0.00 54.13 56.98 1pco s LEU 16 Cb -0.13 -3.63 -0.01 0.00 0.02 0.00 0.00 46.19 42.45 1pco s LEU 16 CO 0.14 -0.59 -0.04 0.00 0.02 0.00 0.00 176.35 175.88 1pco h LEU 18 N 5.39 0.00-10.33 0.00 3.38 -1.97 -3.43 115.31 108.35 1pco h LEU 18 Ca -0.30 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.23 1pco h LEU 18 Cb 1.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.96 1pco h LEU 18 CO 0.46 0.22 -0.29 0.20 0.09 0.00 0.00 178.44 179.12 1pco s ASN 19 N -4.11 5.93 0.17 -0.43 -0.87 -1.26 -4.59 114.94 109.78 1pco s ASN 19 Ca -0.02 -0.11 0.24 0.00 -1.57 0.00 0.00 52.86 51.40 1pco s ASN 19 Cb 0.00 -1.26 0.91 0.00 -0.02 0.00 0.00 41.25 40.88 1pco s ASN 19 CO 0.03 -0.50 1.73 -0.24 -2.57 0.00 0.00 177.10 175.55 1pco n SER 20 N -1.73 0.54 -1.19 -1.22 2.88 -1.21 -3.56 113.62 108.12 1pco n SER 20 Ca 0.00 0.59 -0.03 0.00 -1.33 0.00 0.00 58.87 58.10 1pco n SER 20 Cb 0.58 -0.72 0.02 0.00 -0.75 0.00 0.00 64.21 63.34 1pco n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pco n ALA 21 N -1.70 3.01 0.00 -1.46 0.00 -1.26 -3.37 120.51 115.72 1pco n ALA 21 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1pco n ALA 21 Cb 0.31 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.36 2.39 0.00 0.00 6.02 -1.23 -4.98 117.38 119.94 1pco n GLN 22 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1pco n GLN 22 Cb 0.64 -0.80 0.00 0.00 1.02 0.00 0.00 30.24 31.10 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 0.00 0.00 0.00 0.00 1.57 -1.72 -2.69 116.57 113.73 1pco h LYS 24 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pco h LYS 24 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pco h LYS 24 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1pco n SER 25 N -2.71 0.00 -2.69 0.86 3.41 -1.26 -4.56 113.62 106.67 1pco n SER 25 Ca -0.01 0.22 -0.04 0.00 -0.26 0.00 0.00 58.87 58.79 1pco n SER 25 Cb 0.02 -0.29 0.04 0.00 -0.26 0.00 0.00 64.21 63.72 1pco n SER 25 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pco n ASN 26 N -1.53 -1.85 -3.16 4.04 5.15 -1.26 -4.97 115.26 111.67 1pco n ASN 26 Ca 0.00 -1.55 0.03 0.00 -0.60 0.00 0.00 54.58 52.47 1pco n ASN 26 Cb 0.00 0.96 -0.00 0.00 -0.53 0.00 0.00 39.78 40.21 1pco n ASN 26 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pco s GLN 29 N 1.71 3.43 0.09 0.00 2.00 0.13 -1.13 119.66 125.90 1pco s GLN 29 Ca 0.06 -0.40 -0.28 0.00 -2.00 0.00 0.00 55.36 52.75 1pco s GLN 29 Cb -0.17 -3.87 -0.06 0.00 0.80 0.00 0.00 33.01 29.72 1pco s GLN 29 CO 0.10 -0.72 0.88 -1.58 -0.50 0.00 0.00 175.29 173.47 1pco s HIS 30 N 2.31 3.80 0.00 1.67 5.65 0.19 -2.41 115.29 126.49 1pco s HIS 30 Ca 0.16 1.68 0.00 0.00 0.25 0.00 0.00 55.06 57.15 1pco s HIS 30 Cb -0.16 -2.96 0.00 0.00 -1.18 0.00 0.00 32.58 28.28 1pco s HIS 30 CO 0.14 0.25 0.25 -0.40 -0.65 0.00 0.00 174.74 174.33 1pco n ASP 31 N 2.70 0.00 -3.00 9.88 5.75 -1.26 -4.46 116.55 126.16 1pco n ASP 31 Ca 0.00 0.40 0.02 0.00 -0.01 0.00 0.00 54.79 55.20 1pco n ASP 31 Cb 0.49 -0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.36 1pco n ASP 31 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1pco s THR 32 N -0.95 -0.53 0.00 2.12 -1.32 -1.26 -5.03 115.64 108.68 1pco s THR 32 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1pco s THR 32 Cb 0.00 -0.14 0.00 0.00 -1.51 0.00 0.00 72.50 70.85 1pco s THR 32 CO 0.00 0.00 0.00 -0.38 -2.21 0.00 0.00 174.62 172.03 1pco n ILE 33 N 4.30 0.00 -2.05 5.08 -0.00 -1.26 -4.81 119.36 120.62 1pco n ILE 33 Ca 0.08 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.40 1pco n ILE 33 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.21 1pco n ILE 33 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1pco s LEU 34 N 0.00 3.51 -1.12 1.39 1.02 -1.26 -4.93 118.68 117.30 1pco s LEU 34 Ca 0.00 1.20 -0.22 0.00 0.02 0.00 0.00 54.13 55.13 1pco s LEU 34 Cb 0.00 -3.48 -0.04 0.00 0.02 0.00 0.00 46.19 42.68 1pco s LEU 34 CO 0.00 -1.69 1.87 -0.94 0.02 0.00 0.00 176.35 175.61 1pco s SER 35 N 5.82 5.46 -0.99 2.29 1.04 -1.26 -4.77 113.70 121.29 1pco s SER 35 Ca 0.77 -1.51 -0.06 0.00 0.48 0.00 0.00 55.95 55.62 1pco s SER 35 Cb -0.21 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.58 1pco s SER 35 CO 0.33 -2.57 0.93 -0.22 0.98 0.00 0.00 173.24 172.69 1pco s LEU 36 N 9.23 5.99 -0.24 2.42 2.96 -1.26 -5.05 118.68 132.72 1pco s LEU 36 Ca 0.65 -3.58 -0.10 0.00 -0.22 0.00 0.00 54.13 50.87 1pco s LEU 36 Cb -0.01 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1pco s LEU 36 CO 0.07 -0.26 0.15 -0.44 -1.32 0.00 0.00 176.35 174.55 1pco s SER 37 N 0.71 6.01 0.38 3.68 0.01 -1.26 -4.19 113.70 119.04 1pco s SER 37 Ca 0.28 0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.69 1pco s SER 37 Cb -0.09 -2.09 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 1pco s SER 37 CO -0.10 0.05 0.12 -0.13 0.41 0.00 0.00 173.24 173.59 1pco s ARG 38 N 1.17 2.20 0.39 12.44 0.52 -1.01 -1.50 118.95 133.15 1pco s ARG 38 Ca 0.07 -1.78 -0.23 0.00 -0.52 0.00 0.00 55.73 53.27 1pco s ARG 38 Cb -0.14 -1.99 -0.11 0.00 0.52 0.00 0.00 34.95 33.24 1pco s ARG 38 CO 0.05 -0.01 0.95 0.00 0.02 0.00 0.00 175.30 176.31 1pco s ALA 40 N -1.96 1.12 0.38 0.00 0.00 -1.21 -0.64 121.76 119.45 1pco s ALA 40 Ca 0.58 -1.67 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1pco s ALA 40 Cb -0.13 1.36 -0.08 0.00 0.00 0.00 0.00 23.12 24.27 1pco s ALA 40 CO 0.17 -0.65 0.78 -0.51 0.00 0.00 0.00 175.76 175.55 1pco s LEU 41 N -3.19 3.91 0.50 0.00 1.43 -1.26 -4.87 118.68 115.20 1pco s LEU 41 Ca 0.37 1.25 -0.22 0.00 -1.03 0.00 0.00 54.13 54.50 1pco s LEU 41 Cb 0.05 -4.10 -0.06 0.00 0.03 0.00 0.00 46.19 42.10 1pco s LEU 41 CO 0.15 -0.34 1.27 -0.54 0.23 0.00 0.00 176.35 177.13 1pco s LYS 42 N -3.50 3.44 0.57 1.70 -0.14 -1.26 -4.65 119.74 115.89 1pco s LYS 42 Ca 0.53 2.02 -0.16 0.00 -1.36 0.00 0.00 55.97 57.01 1pco s LYS 42 Cb -0.10 -2.33 -0.05 0.00 -1.68 0.00 0.00 37.83 33.66 1pco s LYS 42 CO 0.25 -0.89 1.03 0.00 -0.76 0.00 0.00 175.35 174.98 1pco s ALA 43 N -1.41 2.89 0.46 5.17 0.00 -0.58 -4.80 121.76 123.48 1pco s ALA 43 Ca 0.68 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1pco s ALA 43 Cb -0.35 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 1pco s ALA 43 CO 0.42 -0.59 0.38 1.03 0.00 0.00 0.00 175.76 177.00 1pco s ARG 44 N -4.17 2.40 0.04 0.00 3.00 -1.26 -3.97 118.95 114.98 1pco s ARG 44 Ca 0.61 -1.71 -0.35 0.00 0.00 0.00 0.00 55.73 54.27 1pco s ARG 44 Cb -0.13 -2.26 -0.14 0.00 0.00 0.00 0.00 34.95 32.42 1pco s ARG 44 CO 0.36 -0.33 1.60 -1.91 0.00 0.00 0.00 175.30 175.03 1pco n GLU 45 N -1.59 1.80 -1.18 3.54 2.13 -1.26 -1.72 120.64 122.36 1pco n GLU 45 Ca 0.02 0.65 -0.06 0.00 0.66 0.00 0.00 57.16 58.43 1pco n GLU 45 Cb 0.63 -2.40 -0.02 0.00 0.27 0.00 0.00 31.44 29.92 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 4.12 -3.68 -4.54 4.31 3.02 -0.11 -5.00 115.26 113.39 1pco n ASN 46 Ca 0.20 0.14 -0.27 0.00 -0.03 0.00 0.00 54.58 54.61 1pco n ASN 46 Cb 0.25 -1.70 -0.10 0.00 -0.61 0.00 0.00 39.78 37.61 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 -2.94 4.08 0.29 6.41 0.15 -0.70 -4.91 113.70 116.10 1pco s SER 47 Ca 0.00 -0.60 -0.29 0.00 0.70 0.00 0.00 55.95 55.75 1pco s SER 47 Cb 0.00 -0.63 -0.10 0.00 -1.71 0.00 0.00 66.02 63.57 1pco s SER 47 CO 0.00 0.12 1.43 -1.61 1.20 0.00 0.00 173.24 174.39 1pco s GLU 48 N -2.65 4.25 -0.00 5.44 2.02 -1.26 -1.35 118.70 125.14 1pco s GLU 48 Ca 0.23 2.35 0.01 0.00 0.02 0.00 0.00 54.97 57.58 1pco s GLU 48 Cb -0.09 -3.07 -0.00 0.00 0.10 0.00 0.00 34.13 31.07 1pco s GLU 48 CO 0.13 -0.41 -0.02 0.00 0.02 0.00 0.00 175.26 174.98 1pco s SER 50 N -0.05 5.85 -0.10 0.00 0.15 -1.15 -2.43 113.70 115.97 1pco s SER 50 Ca 0.01 -1.04 -0.26 0.00 0.70 0.00 0.00 55.95 55.36 1pco s SER 50 Cb -0.01 -2.56 -0.22 0.00 -1.71 0.00 0.00 66.02 61.52 1pco s SER 50 CO -0.00 -2.10 0.87 0.00 1.20 0.00 0.00 173.24 173.21 1pco h ALA 51 N 10.58 -0.02 0.15 5.45 0.00 -1.93 -3.39 119.26 130.10 1pco h ALA 51 Ca 0.14 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.38 1pco h ALA 51 Cb 1.01 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1pco h ALA 51 CO 1.32 -0.10 -1.29 0.27 0.00 0.00 0.00 179.25 179.46 1pco h PHE 52 N -0.85 0.73 -3.42 0.00 -5.15 -1.96 -3.51 116.94 102.78 1pco h PHE 52 Ca -0.00 -0.51 0.00 0.00 -0.20 0.00 0.00 57.97 57.26 1pco h PHE 52 Cb 0.76 -0.04 0.00 0.00 0.22 0.00 0.00 35.95 36.89 1pco h PHE 52 CO 0.20 1.38 -0.86 0.25 -2.00 0.00 0.00 178.31 177.28 1pco n THR 53 N -3.65 -4.08 -2.90 0.88 -2.24 -1.26 -5.08 114.28 95.95 1pco n THR 53 Ca -0.12 1.88 0.00 0.00 -2.27 0.00 0.00 64.05 63.54 1pco n THR 53 Cb 1.02 -2.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.52 1pco n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pco n LEU 54 N -1.54 0.00 -4.06 3.22 -0.00 -1.26 -5.04 117.00 108.33 1pco n LEU 54 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 1pco n LEU 54 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.58 1pco n LEU 54 CO 0.00 -0.39 0.83 0.00 -0.00 0.00 0.00 177.39 177.82 1pco n TYR 55 N -0.78 3.53 -3.68 1.47 9.36 -1.26 -4.96 117.16 120.84 1pco n TYR 55 Ca 0.00 -3.33 0.00 0.00 3.32 0.00 0.00 57.90 57.89 1pco n TYR 55 Cb 0.00 -1.30 0.00 0.00 -0.63 0.00 0.00 39.34 37.41 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 1.79 -0.53 3.80 2.98 0.00 -1.26 -4.95 105.19 107.03 1pco n GLY 56 Ca 0.25 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.00 4.44 -0.11 1.61 1.01 -1.26 -3.31 120.40 119.78 1pco s VAL 57 Ca 0.00 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.45 1pco s VAL 57 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1pco s VAL 57 CO 0.00 0.22 -0.04 -0.31 0.00 0.00 0.00 175.10 174.97 1pco s TYR 58 N -1.51 3.02 -0.34 5.22 2.02 -0.28 -4.83 117.35 120.64 1pco s TYR 58 Ca 0.44 -0.11 0.27 0.00 -0.37 0.00 0.00 57.07 57.31 1pco s TYR 58 Cb -0.18 -1.84 0.91 0.00 -0.40 0.00 0.00 41.96 40.46 1pco s TYR 58 CO 0.22 0.18 1.79 1.88 -1.57 0.00 0.00 175.55 178.05 1pco h TYR 59 N 5.93 0.00 -2.76 2.71 -1.99 -1.85 0.56 116.97 119.57 1pco h TYR 59 Ca -0.40 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.12 1pco h TYR 59 Cb 1.19 0.00 -0.32 0.00 2.00 0.00 0.00 36.73 39.60 1pco h TYR 59 CO 0.56 0.00 -0.51 0.15 -0.00 0.00 0.00 178.16 178.36 1pco s LYS 60 N -3.35 0.18 0.65 4.88 -0.14 -1.26 -4.76 119.74 115.94 1pco s LYS 60 Ca 0.05 0.76 -0.17 0.00 -1.36 0.00 0.00 55.97 55.25 1pco s LYS 60 Cb 0.09 -0.05 -0.03 0.00 -1.68 0.00 0.00 37.83 36.16 1pco s LYS 60 CO 0.55 -0.31 0.95 0.00 -0.76 0.00 0.00 175.35 175.78 1pco s PRO 62 N -2.98 -0.78 0.59 0.00 0.04 -1.26 -3.75 135.00 126.86 1pco s PRO 62 Ca 0.75 0.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.02 1pco s PRO 62 Cb -0.39 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1pco s PRO 62 CO 0.48 -3.51 1.05 0.00 0.04 0.00 0.00 177.00 175.06 1pco s GLU 64 N -4.08 0.49 -0.47 0.00 1.03 -1.25 -4.86 118.70 109.56 1pco s GLU 64 Ca 0.63 -0.51 -0.27 0.00 0.03 0.00 0.00 54.97 54.85 1pco s GLU 64 Cb -0.16 -1.85 -0.04 0.00 -0.80 0.00 0.00 34.13 31.29 1pco s GLU 64 CO 0.36 -2.50 2.03 0.50 -1.33 0.00 0.00 175.26 174.32 1pco s ARG 65 N -5.91 2.71 0.00 -4.83 6.06 -1.26 -2.62 118.95 113.10 1pco s ARG 65 Ca 0.75 1.17 0.00 0.00 -2.50 0.00 0.00 55.73 55.15 1pco s ARG 65 Cb -0.03 -4.39 0.00 0.00 0.06 0.00 0.00 34.95 30.59 1pco s ARG 65 CO 0.53 -2.60 0.00 0.41 -2.50 0.00 0.00 175.30 171.14 1pco n GLY 66 N 5.72 3.79 3.83 8.12 0.00 -1.26 -5.08 105.19 120.31 1pco n GLY 66 Ca 0.26 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 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 4.46 0.09 0.99 1.02 -1.08 -2.71 118.68 121.46 1pco s LEU 67 Ca 0.00 0.92 -0.00 0.00 0.02 0.00 0.00 54.13 55.07 1pco s LEU 67 Cb 0.00 -2.55 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 1pco s LEU 67 CO 0.00 0.32 0.25 0.28 0.02 0.00 0.00 176.35 177.22 1pco s THR 68 N -0.98 5.34 -0.20 5.49 -1.32 0.04 -4.37 115.64 119.64 1pco s THR 68 Ca 0.23 -0.40 -0.18 0.00 -1.21 0.00 0.00 61.69 60.13 1pco s THR 68 Cb -0.16 -3.66 -0.03 0.00 -1.51 0.00 0.00 72.50 67.14 1pco s THR 68 CO 0.12 0.06 0.50 0.00 -2.21 0.00 0.00 174.62 173.10 1pco s GLU 70 N 1.58 3.24 0.00 0.00 0.41 0.26 -4.82 118.70 119.37 1pco s GLU 70 Ca 0.23 -1.43 0.00 0.00 -0.41 0.00 0.00 54.97 53.36 1pco s GLU 70 Cb -0.15 -4.42 0.00 0.00 -1.78 0.00 0.00 34.13 27.78 1pco s GLU 70 CO 0.09 -1.63 0.39 0.41 -0.49 0.00 0.00 175.26 174.03 1pco n GLY 71 N 5.21 0.87 3.46 -1.39 0.00 -1.26 -2.50 105.19 109.59 1pco n GLY 71 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 1pco n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pco s ASP 72 N 1.94 6.21 -0.87 1.61 1.01 -1.26 -4.90 116.67 120.41 1pco s ASP 72 Ca 0.00 -0.89 -0.25 0.00 0.71 0.00 0.00 52.55 52.12 1pco s ASP 72 Cb 0.00 -2.41 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 1pco s ASP 72 CO 0.00 -1.35 2.05 -1.59 0.21 0.00 0.00 175.17 174.49 1pco s LYS 73 N 3.88 2.35 -1.65 8.23 -2.85 -1.26 -4.13 119.74 124.31 1pco s LYS 73 Ca 0.23 -0.10 -0.13 0.00 -1.00 0.00 0.00 55.97 54.96 1pco s LYS 73 Cb -0.17 -4.99 0.12 0.00 -2.06 0.00 0.00 37.83 30.74 1pco s LYS 73 CO 0.12 -3.59 0.59 -1.13 0.10 0.00 0.00 175.35 171.44 1pco n SER 74 N 14.96 -1.97 0.17 0.03 3.41 -0.41 -4.54 113.62 125.28 1pco n SER 74 Ca 0.41 -1.08 0.04 0.00 -0.26 0.00 0.00 58.87 57.98 1pco n SER 74 Cb 0.46 -2.51 0.28 0.00 -0.26 0.00 0.00 64.21 62.18 1pco n SER 74 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1pco h LEU 75 N -1.51 0.00 -0.64 1.04 3.38 -1.88 -3.12 115.31 112.58 1pco h LEU 75 Ca -0.61 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.25 1pco h LEU 75 Cb 1.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1pco h LEU 75 CO 0.76 0.44 -0.51 0.58 0.09 0.00 0.00 178.44 179.80 1pco h VAL 76 N 0.00 1.08 -1.41 1.22 2.07 -1.93 -3.41 116.25 113.87 1pco h VAL 76 Ca -0.00 -1.97 -0.38 0.00 0.82 0.00 0.00 66.70 65.17 1pco h VAL 76 Cb 0.97 2.16 -0.27 0.00 -1.52 0.00 0.00 31.29 32.63 1pco h VAL 76 CO 0.06 0.50 -0.76 0.61 0.02 0.00 0.00 177.57 178.00 1pco n GLY 77 N 0.53 1.04 3.50 2.17 0.00 -1.21 -5.10 105.19 106.12 1pco n GLY 77 Ca -0.00 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1pco n GLY 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pco s SER 78 N -0.29 6.52 0.02 1.61 1.04 -1.18 -4.67 113.70 116.76 1pco s SER 78 Ca 0.32 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1pco s SER 78 Cb 0.09 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.73 1pco s SER 78 CO -0.15 -1.31 0.00 0.00 0.98 0.00 0.00 173.24 172.77 1pco n ILE 79 N 6.14 0.01 -1.27 -1.02 3.06 -1.26 -5.12 119.36 119.90 1pco n ILE 79 Ca 0.25 0.00 -0.30 0.00 -2.50 0.00 0.00 62.75 60.20 1pco n ILE 79 Cb 0.50 -0.19 0.12 0.00 0.54 0.00 0.00 39.64 40.61 1pco n ILE 79 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 1pco s THR 80 N -1.08 2.91 -1.27 9.51 -4.23 -1.26 -4.94 115.64 115.28 1pco s THR 80 Ca 0.00 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 60.73 1pco s THR 80 Cb 0.00 -2.82 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 1pco s THR 80 CO 0.00 -0.39 2.66 -3.20 -0.54 0.00 0.00 174.62 173.15 1pco n ASN 81 N -3.72 7.12 -3.31 3.99 5.15 -1.26 -4.62 115.26 118.62 1pco n ASN 81 Ca 0.08 -2.46 -0.26 0.00 -0.60 0.00 0.00 54.58 51.34 1pco n ASN 81 Cb 0.55 -1.37 -0.09 0.00 -0.53 0.00 0.00 39.78 38.34 1pco n ASN 81 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1pco n THR 82 N 3.75 -0.84 -2.56 -0.44 -2.24 -1.26 -4.88 114.28 105.81 1pco n THR 82 Ca 0.64 -3.77 -0.43 0.00 -2.27 0.00 0.00 64.05 58.22 1pco n THR 82 Cb 0.22 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 1pco n THR 82 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1pco n ASN 83 N 2.12 4.92 -4.19 3.42 6.94 -1.26 -4.60 115.26 122.60 1pco n ASN 83 Ca 0.26 -2.95 -0.11 0.00 -0.02 0.00 0.00 54.58 51.75 1pco n ASN 83 Cb 0.50 -1.64 -0.10 0.00 -2.36 0.00 0.00 39.78 36.18 1pco n ASN 83 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 1pco s PHE 84 N 2.66 0.99 0.87 -2.53 0.08 -1.26 -4.69 117.98 114.09 1pco s PHE 84 Ca 0.47 -0.88 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 1pco s PHE 84 Cb 0.04 -0.55 0.19 0.00 -0.57 0.00 0.00 43.02 42.13 1pco s PHE 84 CO 0.02 -0.10 1.18 0.41 -0.10 0.00 0.00 175.22 176.64 1pco n GLY 85 N -0.08 -0.95 3.41 4.36 0.00 -1.02 -1.28 105.19 109.62 1pco n GLY 85 Ca -0.12 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.55 2.81 0.05 -0.61 -1.09 -1.04 -0.60 121.20 117.17 1pco s ILE 86 Ca 0.69 -0.80 -0.31 0.00 -2.23 0.00 0.00 60.65 58.01 1pco s ILE 86 Cb -0.02 -2.10 -0.07 0.00 -1.58 0.00 0.00 42.46 38.69 1pco s ILE 86 CO 0.48 0.57 1.42 0.00 -1.23 0.00 0.00 174.94 176.18 1pco s HIS 88 N 1.98 0.35 -1.18 0.00 3.76 -0.08 -0.93 115.29 119.18 1pco s HIS 88 Ca 0.65 -0.76 -0.10 0.00 -0.15 0.00 0.00 55.06 54.70 1pco s HIS 88 Cb -0.34 -0.26 0.22 0.00 1.11 0.00 0.00 32.58 33.31 1pco s HIS 88 CO 0.28 -0.33 1.43 -1.71 -0.85 0.00 0.00 174.74 173.56 1pco n ASN 89 N 0.66 5.43 0.00 1.40 5.15 -1.26 -0.78 115.26 125.85 1pco n ASN 89 Ca -0.18 -3.07 0.00 0.00 -0.60 0.00 0.00 54.58 50.73 1pco n ASN 89 Cb 0.59 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.37 1pco n ASN 89 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pco n VAL 90 N 3.46 0.00 0.00 3.44 0.31 -1.26 -5.03 118.33 119.25 1pco n VAL 90 Ca 0.33 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 1pco n VAL 90 Cb 0.39 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 1pco n VAL 90 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pco n GLY 91 N 3.38 -1.01 0.35 2.92 0.00 -1.25 -5.02 105.19 104.57 1pco n GLY 91 Ca 0.00 0.88 0.31 0.00 0.00 0.00 0.00 46.02 47.21 1pco n GLY 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1pco h ARG 92 N 0.00 0.11 -0.00 1.61 0.11 -1.71 -3.43 114.38 111.06 1pco h ARG 92 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1pco h ARG 92 Cb 0.00 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.06 1pco h ARG 92 CO 0.00 0.07 0.00 0.45 0.10 0.00 0.00 179.97 180.59