#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 1.73 -3.32 7.34 -0.02 -1.26 -4.69 135.00 134.78 1pco n PRO 2 Ca 0.00 -1.00 -0.26 0.00 -2.02 0.00 0.00 63.50 60.22 1pco n PRO 2 Cb 0.00 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.32 1pco n PRO 2 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1pco n ASP 3 N 3.12 0.01 0.10 2.55 5.68 -1.26 -5.04 116.55 121.71 1pco n ASP 3 Ca 0.37 -2.56 -0.04 0.00 -0.50 0.00 0.00 54.79 52.06 1pco n ASP 3 Cb 0.47 -0.60 -0.02 0.00 -1.14 0.00 0.00 41.12 39.83 1pco n ASP 3 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1pco h PRO 4 N 4.89 -0.27 -3.30 0.11 0.13 -2.08 -3.38 132.00 128.11 1pco h PRO 4 Ca 0.18 0.02 -0.80 0.00 -0.87 0.00 0.00 66.00 64.52 1pco h PRO 4 Cb 0.89 0.06 -0.28 0.00 0.13 0.00 0.00 31.00 31.80 1pco h PRO 4 CO 0.43 -0.18 0.62 -2.13 -0.23 0.00 0.00 178.00 176.51 1pco n ARG 5 N -3.55 3.95 -2.74 0.86 0.63 -1.26 -4.87 116.66 109.69 1pco n ARG 5 Ca -0.03 -4.49 -0.01 0.00 -0.92 0.00 0.00 57.85 52.39 1pco n ARG 5 Cb 0.11 -2.54 0.02 0.00 0.45 0.00 0.00 32.46 30.50 1pco n ARG 5 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1pco s GLY 6 N -0.01 -1.71 -1.05 5.14 0.00 -1.26 -5.07 107.32 103.36 1pco s GLY 6 Ca 0.31 0.78 -0.12 0.00 0.00 0.00 0.00 44.72 45.69 1pco s GLY 6 CO 0.00 4.24 1.10 -0.42 0.00 0.00 0.00 173.10 178.02 1pco s ILE 7 N 1.38 5.63 -0.19 0.90 1.09 -1.26 -4.92 121.20 123.83 1pco s ILE 7 Ca 0.20 -2.91 -0.24 0.00 -1.10 0.00 0.00 60.65 56.60 1pco s ILE 7 Cb 0.08 -4.65 -0.01 0.00 -1.06 0.00 0.00 42.46 36.81 1pco s ILE 7 CO -0.12 -1.26 0.79 0.27 -0.10 0.00 0.00 174.94 174.52 1pco s ILE 8 N -0.09 4.90 0.27 2.92 -4.36 -1.26 -5.07 121.20 118.51 1pco s ILE 8 Ca 0.30 1.52 0.04 0.00 -0.26 0.00 0.00 60.65 62.26 1pco s ILE 8 Cb -0.08 -4.09 0.04 0.00 1.25 0.00 0.00 42.46 39.58 1pco s ILE 8 CO -0.07 0.02 0.37 2.30 0.24 0.00 0.00 174.94 177.80 1pco n ILE 9 N 4.86 0.00 -0.38 8.37 -5.35 -1.26 -5.04 119.36 120.56 1pco n ILE 9 Ca 0.03 -0.91 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 1pco n ILE 9 Cb 0.49 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 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 -2.68 -0.50 -4.09 7.28 3.02 0.26 -5.03 115.26 113.52 1pco n ASN 10 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 1pco n ASN 10 Cb 0.28 -0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.08 2.43 0.79 3.41 2.34 -1.21 -4.75 118.68 121.62 1pco s LEU 11 Ca 0.00 -0.88 -0.12 0.00 0.06 0.00 0.00 54.13 53.20 1pco s LEU 11 Cb 0.00 0.07 0.07 0.00 -0.56 0.00 0.00 46.19 45.77 1pco s LEU 11 CO 0.00 -0.47 1.13 -1.81 -1.06 0.00 0.00 176.35 174.14 1pco s ASP 12 N -2.59 4.63 0.45 1.48 1.11 -1.26 -0.76 116.67 119.74 1pco s ASP 12 Ca 0.03 1.03 -0.22 0.00 0.18 0.00 0.00 52.55 53.57 1pco s ASP 12 Cb 0.03 -1.68 -0.09 0.00 1.07 0.00 0.00 42.92 42.25 1pco s ASP 12 CO -0.06 -1.85 1.05 -1.83 1.18 0.00 0.00 175.17 173.66 1pco s GLU 13 N -5.37 3.94 0.00 8.23 1.03 -1.26 -4.18 118.70 121.09 1pco s GLU 13 Ca 0.61 1.44 0.00 0.00 0.03 0.00 0.00 54.97 57.05 1pco s GLU 13 Cb -0.12 -2.28 0.00 0.00 -0.80 0.00 0.00 34.13 30.93 1pco s GLU 13 CO 0.52 -0.33 0.00 0.41 -1.33 0.00 0.00 175.26 174.53 1pco n GLY 14 N 0.01 1.42 2.95 -3.83 0.00 0.56 -4.94 105.19 101.36 1pco n GLY 14 Ca 0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.59 0.24 -0.11 1.61 0.41 -1.26 -4.96 118.70 113.03 1pco s GLU 15 Ca 0.00 -0.40 -0.29 0.00 -0.41 0.00 0.00 54.97 53.86 1pco s GLU 15 Cb 0.00 0.01 -0.04 0.00 -1.78 0.00 0.00 34.13 32.32 1pco s GLU 15 CO 0.00 -0.02 1.54 -1.17 -0.49 0.00 0.00 175.26 175.12 1pco s LEU 16 N -0.93 4.21 0.25 1.80 0.20 -1.26 -1.46 118.68 121.49 1pco s LEU 16 Ca -0.09 1.99 0.11 0.00 0.69 0.00 0.00 54.13 56.83 1pco s LEU 16 Cb -0.06 -3.53 -0.05 0.00 -0.43 0.00 0.00 46.19 42.11 1pco s LEU 16 CO -0.00 -0.93 -0.20 0.00 -0.29 0.00 0.00 176.35 174.92 1pco n LEU 18 N -0.35 0.89 -4.98 0.00 4.77 -1.26 -4.70 117.00 111.37 1pco n LEU 18 Ca -0.07 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.70 1pco n LEU 18 Cb 0.59 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 1pco n LEU 18 CO 0.35 0.00 0.34 0.54 -1.33 0.00 0.00 177.39 177.29 1pco s ASN 19 N -1.00 5.34 0.45 -1.43 2.20 -1.26 -4.75 114.94 114.49 1pco s ASN 19 Ca 0.00 -0.05 0.25 0.00 -0.94 0.00 0.00 52.86 52.12 1pco s ASN 19 Cb 0.00 -0.87 0.93 0.00 -2.00 0.00 0.00 41.25 39.32 1pco s ASN 19 CO 0.00 -1.09 1.83 0.28 -2.94 0.00 0.00 177.10 175.18 1pco h SER 20 N 0.15 0.00 0.00 3.54 0.02 -1.52 -3.19 113.55 112.55 1pco h SER 20 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1pco h SER 20 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1pco h SER 20 CO 0.51 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 176.39 1pco n ALA 21 N -2.19 2.24 -0.10 3.77 0.00 -1.26 -3.64 120.51 119.33 1pco n ALA 21 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1pco n ALA 21 Cb 0.43 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.37 0.61 -1.99 0.00 1.13 -1.21 -4.80 117.38 110.75 1pco n GLN 22 Ca 0.00 0.42 -0.33 0.00 -1.94 0.00 0.00 57.00 55.15 1pco n GLN 22 Cb 0.04 -1.66 0.02 0.00 0.11 0.00 0.00 30.24 28.75 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 0.41 -0.70 -6.17 0.00 1.57 -1.24 -3.29 116.57 107.14 1pco h LYS 24 Ca -0.47 0.05 -0.59 0.00 -1.87 0.00 0.00 60.65 57.77 1pco h LYS 24 Cb 1.23 0.16 -0.10 0.00 0.08 0.00 0.00 32.23 33.60 1pco h LYS 24 CO 0.56 -0.47 0.73 -1.12 -0.57 0.00 0.00 179.45 178.58 1pco s SER 25 N -4.62 6.40 -1.04 0.86 0.01 -1.26 -4.96 113.70 109.09 1pco s SER 25 Ca -0.17 -0.13 -0.24 0.00 1.31 0.00 0.00 55.95 56.73 1pco s SER 25 Cb 0.06 -2.48 -0.08 0.00 0.21 0.00 0.00 66.02 63.73 1pco s SER 25 CO 0.63 -1.31 1.97 0.20 0.41 0.00 0.00 173.24 175.14 1pco s ASN 26 N 2.84 4.95 -0.46 2.44 0.02 -1.24 -4.74 114.94 118.74 1pco s ASN 26 Ca 0.36 -1.12 0.06 0.00 -1.02 0.00 0.00 52.86 51.14 1pco s ASN 26 Cb -0.10 -2.57 0.22 0.00 0.02 0.00 0.00 41.25 38.82 1pco s ASN 26 CO 0.22 -3.05 0.68 0.00 0.02 0.00 0.00 177.10 174.97 1pco s GLN 29 N 4.04 3.24 0.28 0.00 -0.44 -0.49 -0.61 119.66 125.70 1pco s GLN 29 Ca 0.48 -0.83 -0.23 0.00 -2.50 0.00 0.00 55.36 52.28 1pco s GLN 29 Cb -0.11 -3.88 -0.09 0.00 -1.64 0.00 0.00 33.01 27.29 1pco s GLN 29 CO 0.23 -0.59 0.85 -1.58 0.50 0.00 0.00 175.29 174.70 1pco s HIS 30 N 1.70 3.66 -1.33 1.67 5.65 0.86 -2.28 115.29 125.22 1pco s HIS 30 Ca 0.06 1.61 -0.15 0.00 0.25 0.00 0.00 55.06 56.82 1pco s HIS 30 Cb -0.18 -2.79 0.09 0.00 -1.18 0.00 0.00 32.58 28.52 1pco s HIS 30 CO 0.10 0.25 1.86 -0.40 -0.65 0.00 0.00 174.74 175.90 1pco n ASP 31 N 0.58 4.68 0.00 9.88 5.75 -1.25 -4.10 116.55 132.09 1pco n ASP 31 Ca 0.00 -2.93 0.00 0.00 -0.01 0.00 0.00 54.79 51.85 1pco n ASP 31 Cb 0.51 -1.66 0.00 0.00 -1.03 0.00 0.00 41.12 38.94 1pco n ASP 31 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1pco n THR 32 N 5.28 0.00 0.15 2.12 5.66 -1.26 -2.42 114.28 123.81 1pco n THR 32 Ca 0.47 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.56 1pco n THR 32 Cb 0.42 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.06 1pco n THR 32 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1pco n ILE 33 N 0.00 0.00 -2.31 1.09 -0.00 -1.26 -4.74 119.36 112.14 1pco n ILE 33 Ca 0.00 -0.36 -0.43 0.00 -0.00 0.00 0.00 62.75 61.97 1pco n ILE 33 Cb 0.00 0.25 -0.02 0.00 -0.00 0.00 0.00 39.64 39.87 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 -4.00 4.25 -0.69 7.28 2.96 -1.02 -4.98 118.68 122.48 1pco s LEU 34 Ca -0.04 1.90 -0.25 0.00 -0.22 0.00 0.00 54.13 55.52 1pco s LEU 34 Cb 0.12 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.31 1pco s LEU 34 CO 0.76 -0.76 1.12 -0.94 -1.32 0.00 0.00 176.35 175.21 1pco s SER 35 N 2.16 6.18 -0.40 3.68 1.04 -1.26 -3.75 113.70 121.35 1pco s SER 35 Ca 0.60 -0.66 0.04 0.00 0.48 0.00 0.00 55.95 56.41 1pco s SER 35 Cb -0.26 -2.49 0.16 0.00 0.10 0.00 0.00 66.02 63.53 1pco s SER 35 CO 0.21 -1.62 0.44 -0.22 0.98 0.00 0.00 173.24 173.02 1pco s LEU 36 N 4.89 -0.12 -0.26 2.42 2.96 -1.26 -5.05 118.68 122.26 1pco s LEU 36 Ca 0.29 -1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 52.31 1pco s LEU 36 Cb -0.12 0.68 -0.05 0.00 0.50 0.00 0.00 46.19 47.20 1pco s LEU 36 CO 0.13 -0.21 0.17 -0.44 -1.32 0.00 0.00 176.35 174.69 1pco s SER 37 N 1.16 6.02 -0.02 3.68 0.01 -1.26 -4.11 113.70 119.18 1pco s SER 37 Ca 0.21 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.52 1pco s SER 37 Cb -0.10 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1pco s SER 37 CO -0.06 0.00 -0.08 -0.60 0.41 0.00 0.00 173.24 172.92 1pco s ARG 38 N 1.45 0.76 0.40 12.44 3.52 -0.96 -2.67 118.95 133.89 1pco s ARG 38 Ca 0.07 -0.26 -0.26 0.00 -0.13 0.00 0.00 55.73 55.15 1pco s ARG 38 Cb -0.15 -0.73 -0.09 0.00 -1.56 0.00 0.00 34.95 32.42 1pco s ARG 38 CO 0.08 0.12 1.29 0.00 -0.81 0.00 0.00 175.30 175.98 1pco n ALA 40 N 0.15 0.21 -2.42 0.00 0.00 -0.84 -0.33 120.51 117.28 1pco n ALA 40 Ca 0.04 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 1pco n ALA 40 Cb 0.44 0.47 -0.05 0.00 0.00 0.00 0.00 19.45 20.30 1pco n ALA 40 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pco s LEU 41 N 0.00 4.14 0.66 0.00 2.96 -1.26 -4.75 118.68 120.42 1pco s LEU 41 Ca 0.11 0.90 -0.15 0.00 -0.22 0.00 0.00 54.13 54.77 1pco s LEU 41 Cb 0.01 -3.67 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 1pco s LEU 41 CO 0.08 -0.10 1.10 -1.59 -1.32 0.00 0.00 176.35 174.52 1pco s LYS 42 N -2.95 2.84 0.48 1.98 -2.85 -1.26 -4.64 119.74 113.34 1pco s LYS 42 Ca 0.47 1.35 -0.20 0.00 -1.00 0.00 0.00 55.97 56.59 1pco s LYS 42 Cb -0.11 -1.96 -0.09 0.00 -2.06 0.00 0.00 37.83 33.61 1pco s LYS 42 CO 0.23 -1.21 1.01 0.00 0.10 0.00 0.00 175.35 175.48 1pco s ALA 43 N -2.39 2.91 0.34 0.59 0.00 -0.40 -4.86 121.76 117.95 1pco s ALA 43 Ca 0.66 0.51 0.06 0.00 0.00 0.00 0.00 51.96 53.19 1pco s ALA 43 Cb -0.20 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 1pco s ALA 43 CO 0.42 -0.24 0.00 1.03 0.00 0.00 0.00 175.76 176.97 1pco s ARG 44 N -3.33 1.72 0.22 0.00 0.52 -1.26 -1.77 118.95 115.05 1pco s ARG 44 Ca 0.65 -1.93 -0.32 0.00 -0.52 0.00 0.00 55.73 53.61 1pco s ARG 44 Cb -0.14 -1.22 -0.14 0.00 0.52 0.00 0.00 34.95 33.97 1pco s ARG 44 CO 0.20 -0.06 1.42 -1.91 0.02 0.00 0.00 175.30 174.97 1pco n GLU 45 N -0.74 1.99 -1.28 3.54 2.13 -1.26 -1.27 120.64 123.76 1pco n GLU 45 Ca -0.04 0.71 -0.10 0.00 0.66 0.00 0.00 57.16 58.39 1pco n GLU 45 Cb 0.66 -2.38 -0.04 0.00 0.27 0.00 0.00 31.44 29.95 1pco n GLU 45 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1pco n ASN 46 N 2.33 -4.62 -4.46 4.31 0.23 -0.68 -4.99 115.26 107.38 1pco n ASN 46 Ca 0.13 0.24 -0.27 0.00 -0.53 0.00 0.00 54.58 54.14 1pco n ASN 46 Cb 0.30 -2.96 -0.11 0.00 -2.08 0.00 0.00 39.78 34.93 1pco n ASN 46 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1pco s SER 47 N -2.64 3.68 0.09 0.53 0.15 -0.39 -4.92 113.70 110.19 1pco s SER 47 Ca 0.00 -0.74 -0.31 0.00 0.70 0.00 0.00 55.95 55.60 1pco s SER 47 Cb 0.00 -0.40 -0.10 0.00 -1.71 0.00 0.00 66.02 63.81 1pco s SER 47 CO 0.00 0.13 1.91 -1.83 1.20 0.00 0.00 173.24 174.65 1pco s GLU 48 N -2.58 4.13 -0.05 5.44 -1.05 -1.26 -0.62 118.70 122.72 1pco s GLU 48 Ca 0.21 2.63 -0.03 0.00 -0.15 0.00 0.00 54.97 57.63 1pco s GLU 48 Cb -0.09 -3.88 0.03 0.00 -0.44 0.00 0.00 34.13 29.76 1pco s GLU 48 CO 0.11 -0.91 0.12 0.00 0.95 0.00 0.00 175.26 175.53 1pco s SER 50 N 0.88 0.51 -0.13 0.00 0.15 -1.26 -2.62 113.70 111.22 1pco s SER 50 Ca -0.07 -0.94 0.02 0.00 0.70 0.00 0.00 55.95 55.67 1pco s SER 50 Cb -0.09 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1pco s SER 50 CO -0.04 -0.55 -0.21 0.00 1.20 0.00 0.00 173.24 173.64 1pco s ALA 51 N -3.59 2.29 0.00 5.45 0.00 -1.26 -4.87 121.76 119.77 1pco s ALA 51 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1pco s ALA 51 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1pco s ALA 51 CO -0.09 0.05 0.00 1.97 0.00 0.00 0.00 175.76 177.69 1pco n PHE 52 N 3.93 0.00 -1.81 0.00 -1.74 -1.26 -4.81 117.46 111.77 1pco n PHE 52 Ca -0.20 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.27 1pco n PHE 52 Cb 0.52 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.49 1pco n PHE 52 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1pco s THR 53 N 1.14 3.25 -0.48 1.97 2.01 -1.26 -4.92 115.64 117.35 1pco s THR 53 Ca 0.00 0.26 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1pco s THR 53 Cb 0.00 -3.31 0.44 0.00 0.01 0.00 0.00 72.50 69.64 1pco s THR 53 CO 0.00 -0.18 1.51 0.18 -0.69 0.00 0.00 174.62 175.45 1pco n LEU 54 N 10.51 5.99 -1.15 4.42 4.77 -1.26 -4.27 117.00 136.01 1pco n LEU 54 Ca 0.25 -4.68 -0.03 0.00 -0.03 0.00 0.00 56.01 51.52 1pco n LEU 54 Cb 0.45 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1pco n LEU 54 CO 0.67 1.90 0.26 -1.22 -1.33 0.00 0.00 177.39 177.67 1pco n TYR 55 N -0.73 0.00 0.00 -1.77 4.01 -1.26 -5.11 117.16 112.30 1pco n TYR 55 Ca 0.50 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1pco n TYR 55 Cb 0.77 0.29 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 1pco n TYR 55 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pco n GLY 56 N 0.16 3.04 3.85 2.72 0.00 -1.26 -4.71 105.19 108.98 1pco n GLY 56 Ca -0.17 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 3.94 5.15 -0.07 1.61 1.01 -1.26 -1.40 120.40 129.38 1pco s VAL 57 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1pco s VAL 57 Cb 0.00 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1pco s VAL 57 CO 0.00 0.42 -0.14 -0.31 0.00 0.00 0.00 175.10 175.07 1pco s TYR 58 N -1.19 2.73 -0.01 5.22 2.02 0.23 -4.78 117.35 121.57 1pco s TYR 58 Ca 0.22 -0.31 -0.24 0.00 -0.37 0.00 0.00 57.07 56.37 1pco s TYR 58 Cb -0.12 -1.69 -0.19 0.00 -0.40 0.00 0.00 41.96 39.56 1pco s TYR 58 CO 0.13 0.06 1.27 1.88 -1.57 0.00 0.00 175.55 177.32 1pco h TYR 59 N 5.76 0.16 -3.21 2.71 0.05 -1.85 0.24 116.97 120.83 1pco h TYR 59 Ca -0.40 -0.05 -0.46 0.00 0.05 0.00 0.00 58.73 57.87 1pco h TYR 59 Cb 1.17 -0.03 -0.40 0.00 1.01 0.00 0.00 36.73 38.48 1pco h TYR 59 CO 0.50 0.61 -0.76 -1.59 -1.05 0.00 0.00 178.16 175.87 1pco s LYS 60 N -4.16 0.37 0.57 4.88 0.00 -1.26 -4.57 119.74 115.57 1pco s LYS 60 Ca -0.15 -0.09 -0.19 0.00 0.00 0.00 0.00 55.97 55.53 1pco s LYS 60 Cb 0.03 -1.56 -0.06 0.00 0.00 0.00 0.00 37.83 36.24 1pco s LYS 60 CO 0.71 -0.53 0.95 0.00 0.00 0.00 0.00 175.35 176.47 1pco s PRO 62 N -2.58 -0.32 0.66 0.00 0.04 -1.26 -3.24 135.00 128.30 1pco s PRO 62 Ca 0.73 0.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.34 1pco s PRO 62 Cb -0.44 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1pco s PRO 62 CO 0.49 -3.29 1.14 0.00 0.04 0.00 0.00 177.00 175.38 1pco s GLU 64 N -3.93 -1.34 -0.31 0.00 -1.05 -0.73 -4.83 118.70 106.52 1pco s GLU 64 Ca 0.70 0.37 -0.28 0.00 -0.15 0.00 0.00 54.97 55.61 1pco s GLU 64 Cb -0.23 -1.54 -0.04 0.00 -0.44 0.00 0.00 34.13 31.87 1pco s GLU 64 CO 0.40 -3.88 2.12 0.50 0.95 0.00 0.00 175.26 175.35 1pco s ARG 65 N -4.93 3.01 0.00 -4.83 3.00 -1.26 -2.10 118.95 111.84 1pco s ARG 65 Ca 0.68 1.71 0.00 0.00 -1.00 0.00 0.00 55.73 57.13 1pco s ARG 65 Cb -0.17 -4.36 0.00 0.00 0.00 0.00 0.00 34.95 30.42 1pco s ARG 65 CO 0.60 -2.24 0.00 0.41 0.00 0.00 0.00 175.30 174.06 1pco n GLY 66 N 5.71 2.40 3.93 8.12 0.00 -1.26 -5.12 105.19 118.96 1pco n GLY 66 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 4.32 0.23 0.99 1.02 -0.89 -4.72 118.68 119.63 1pco s LEU 67 Ca 0.00 0.30 0.05 0.00 0.02 0.00 0.00 54.13 54.50 1pco s LEU 67 Cb 0.00 -3.02 -0.03 0.00 0.02 0.00 0.00 46.19 43.15 1pco s LEU 67 CO 0.00 0.08 0.32 0.28 0.02 0.00 0.00 176.35 177.05 1pco s THR 68 N -1.66 5.08 -0.74 5.49 -1.32 -0.16 -4.65 115.64 117.68 1pco s THR 68 Ca 0.36 -1.05 -0.21 0.00 -1.21 0.00 0.00 61.69 59.58 1pco s THR 68 Cb -0.12 -3.75 0.10 0.00 -1.51 0.00 0.00 72.50 67.22 1pco s THR 68 CO 0.28 -0.31 0.99 0.00 -2.21 0.00 0.00 174.62 173.37 1pco s GLU 70 N 3.41 4.08 -0.03 0.00 2.12 -0.52 -4.55 118.70 123.21 1pco s GLU 70 Ca 0.24 -0.01 -0.00 0.00 0.36 0.00 0.00 54.97 55.56 1pco s GLU 70 Cb -0.14 -3.59 -0.00 0.00 0.26 0.00 0.00 34.13 30.67 1pco s GLU 70 CO 0.03 -0.10 0.03 0.41 -0.54 0.00 0.00 175.26 175.08 1pco n GLY 71 N 4.36 0.71 3.54 -1.50 0.00 -1.26 -1.31 105.19 109.73 1pco n GLY 71 Ca -0.11 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.89 6.79 -0.05 1.61 1.01 -1.26 -2.88 116.67 119.00 1pco s ASP 72 Ca 0.01 -2.29 0.16 0.00 0.71 0.00 0.00 52.55 51.14 1pco s ASP 72 Cb -0.00 -2.52 0.54 0.00 1.01 0.00 0.00 42.92 41.95 1pco s ASP 72 CO 0.02 -1.15 1.44 0.29 0.21 0.00 0.00 175.17 175.98 1pco n LYS 73 N 7.74 2.76 -2.39 8.23 4.76 -1.26 -4.81 118.16 133.19 1pco n LYS 73 Ca 0.40 -2.18 -0.37 0.00 -2.87 0.00 0.00 58.31 53.29 1pco n LYS 73 Cb 0.47 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 32.02 1pco n LYS 73 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1pco s SER 74 N -0.90 6.12 -1.31 4.39 1.04 -0.61 -4.53 113.70 117.90 1pco s SER 74 Ca 0.40 -1.81 -0.17 0.00 0.48 0.00 0.00 55.95 54.85 1pco s SER 74 Cb 0.23 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.80 1pco s SER 74 CO 0.23 -1.90 1.98 0.18 0.98 0.00 0.00 173.24 174.72 1pco n LEU 75 N 10.62 5.53 -0.19 2.42 4.77 -1.09 -4.82 117.00 134.24 1pco n LEU 75 Ca 0.43 -3.85 0.03 0.00 -0.03 0.00 0.00 56.01 52.59 1pco n LEU 75 Cb 0.47 -1.65 0.30 0.00 -2.33 0.00 0.00 43.42 40.22 1pco n LEU 75 CO 0.70 0.35 1.22 1.62 -1.33 0.00 0.00 177.39 179.95 1pco h VAL 76 N 4.84 1.11 -1.78 4.08 3.04 -1.91 -3.20 116.25 122.43 1pco h VAL 76 Ca 0.48 -0.30 -0.58 0.00 -1.01 0.00 0.00 66.70 65.29 1pco h VAL 76 Cb 0.76 0.16 -0.42 0.00 -2.01 0.00 0.00 31.29 29.78 1pco h VAL 76 CO 1.67 0.16 -0.73 0.61 -1.01 0.00 0.00 177.57 178.28 1pco n GLY 77 N -1.43 5.64 2.19 3.17 0.00 -1.26 -4.89 105.19 108.61 1pco n GLY 77 Ca 0.09 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.36 -3.47 0.00 1.61 2.88 -1.24 -5.12 113.62 107.93 1pco n SER 78 Ca 0.35 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1pco n SER 78 Cb 0.57 3.26 0.00 0.00 -0.75 0.00 0.00 64.21 67.29 1pco n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pco n ILE 79 N -3.49 0.00 -3.90 2.46 0.00 -1.24 -5.15 119.36 108.03 1pco n ILE 79 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 62.75 62.64 1pco n ILE 79 Cb 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 39.64 39.40 1pco n ILE 79 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1pco s THR 80 N -0.10 0.03 0.35 9.51 -4.23 -1.21 -5.00 115.64 114.98 1pco s THR 80 Ca 0.00 -0.27 0.37 0.00 -1.18 0.00 0.00 61.69 60.61 1pco s THR 80 Cb 0.00 -0.10 0.40 0.00 1.34 0.00 0.00 72.50 74.14 1pco s THR 80 CO 0.00 -0.15 2.13 0.78 -0.54 0.00 0.00 174.62 176.85 1pco h ASN 81 N 5.68 0.00 -2.34 3.99 2.35 -1.89 -2.88 115.58 120.49 1pco h ASN 81 Ca -0.26 0.00 -0.79 0.00 -0.55 0.00 0.00 56.30 54.70 1pco h ASN 81 Cb 1.21 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.35 1pco h ASN 81 CO 0.47 0.02 1.25 0.35 -1.65 0.00 0.00 177.43 177.88 1pco n THR 82 N -3.16 5.00 -3.31 2.81 -2.24 -1.26 -4.48 114.28 107.64 1pco n THR 82 Ca -0.01 -5.38 -0.09 0.00 -2.27 0.00 0.00 64.05 56.30 1pco n THR 82 Cb 0.22 -2.17 -0.06 0.00 -2.10 0.00 0.00 70.33 66.22 1pco n THR 82 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1pco s ASN 83 N -0.84 0.42 0.19 3.42 -0.87 -1.26 -5.08 114.94 110.91 1pco s ASN 83 Ca 0.34 -0.36 0.11 0.00 -1.57 0.00 0.00 52.86 51.38 1pco s ASN 83 Cb 0.07 1.09 -0.04 0.00 -0.02 0.00 0.00 41.25 42.34 1pco s ASN 83 CO 0.07 -0.35 -0.21 -0.36 -2.57 0.00 0.00 177.10 173.68 1pco s PHE 84 N 2.54 2.38 0.00 2.20 0.08 -1.26 -1.57 117.98 122.35 1pco s PHE 84 Ca 0.10 -0.33 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1pco s PHE 84 Cb -0.13 -1.18 0.00 0.00 -0.57 0.00 0.00 43.02 41.15 1pco s PHE 84 CO -0.29 0.50 0.00 0.41 -0.10 0.00 0.00 175.22 175.74 1pco n GLY 85 N 0.21 1.12 3.00 4.36 0.00 -1.08 -4.80 105.19 108.00 1pco n GLY 85 Ca -0.12 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 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 1.15 0.49 0.10 -0.61 -1.09 -0.43 -1.63 121.20 119.19 1pco s ILE 86 Ca 0.00 -0.48 -0.31 0.00 -2.23 0.00 0.00 60.65 57.63 1pco s ILE 86 Cb 0.00 -0.46 -0.07 0.00 -1.58 0.00 0.00 42.46 40.35 1pco s ILE 86 CO 0.00 -0.01 1.32 0.00 -1.23 0.00 0.00 174.94 175.02 1pco s HIS 88 N 1.02 0.23 -1.13 0.00 3.76 -0.95 -1.68 115.29 116.54 1pco s HIS 88 Ca 0.62 -0.55 -0.07 0.00 -0.15 0.00 0.00 55.06 54.91 1pco s HIS 88 Cb -0.34 -0.16 0.27 0.00 1.11 0.00 0.00 32.58 33.46 1pco s HIS 88 CO 0.30 -0.36 1.41 -1.71 -0.85 0.00 0.00 174.74 173.54 1pco n ASN 89 N 0.75 5.90 -0.04 1.40 5.15 -1.26 -0.99 115.26 126.16 1pco n ASN 89 Ca -0.19 -3.23 -0.09 0.00 -0.60 0.00 0.00 54.58 50.48 1pco n ASN 89 Cb 0.59 -1.35 -0.08 0.00 -0.53 0.00 0.00 39.78 38.41 1pco n ASN 89 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1pco h VAL 90 N 3.62 1.04 0.00 3.44 3.04 -1.96 -3.49 116.25 121.95 1pco h VAL 90 Ca 0.23 -1.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.22 1pco h VAL 90 Cb 0.72 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1pco h VAL 90 CO 1.26 0.34 0.00 0.61 -1.01 0.00 0.00 177.57 178.77 1pco n GLY 91 N 1.51 1.78 3.45 3.17 0.00 -1.26 -4.70 105.19 109.14 1pco n GLY 91 Ca -0.06 0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 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 3.83 0.00 1.61 6.06 -1.26 -5.18 118.95 124.01 1pco s ARG 92 Ca 0.00 -2.18 0.28 0.00 -2.50 0.00 0.00 55.73 51.33 1pco s ARG 92 Cb 0.00 -4.95 1.67 0.00 0.06 0.00 0.00 34.95 31.72 1pco s ARG 92 CO 0.00 -1.74 2.01 0.45 -2.50 0.00 0.00 175.30 173.52