#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 2.04 -0.50 5.55 0.02 -1.26 -4.96 135.00 135.89 1pco s PRO 2 Ca 0.00 1.32 -0.03 0.00 0.02 0.00 0.00 61.00 62.31 1pco s PRO 2 Cb 0.00 -4.60 0.13 0.00 0.02 0.00 0.00 34.50 30.05 1pco s PRO 2 CO 0.00 -3.40 0.31 -0.51 -0.33 0.00 0.00 177.00 173.08 1pco s ASP 3 N 12.10 5.30 -1.42 2.53 1.11 -1.26 -5.05 116.67 129.98 1pco s ASP 3 Ca 0.97 -2.36 -0.14 0.00 0.18 0.00 0.00 52.55 51.20 1pco s ASP 3 Cb -0.17 -1.86 0.06 0.00 1.07 0.00 0.00 42.92 42.02 1pco s ASP 3 CO 0.24 -0.49 2.11 -0.81 1.18 0.00 0.00 175.17 177.40 1pco n PRO 4 N 4.17 2.98 -0.05 8.23 -0.04 -1.26 -4.77 135.00 144.25 1pco n PRO 4 Ca 0.01 -2.81 -0.01 0.00 -0.04 0.00 0.00 63.50 60.66 1pco n PRO 4 Cb 0.40 -3.29 -0.01 0.00 -0.04 0.00 0.00 33.50 30.56 1pco n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pco h ARG 5 N 6.26 0.00 -2.20 0.54 3.08 -2.02 -3.42 114.38 116.62 1pco h ARG 5 Ca 0.53 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 60.01 1pco h ARG 5 Cb 0.68 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.32 1pco h ARG 5 CO 1.79 0.07 -0.77 0.41 -1.07 0.00 0.00 179.97 180.40 1pco n GLY 6 N 1.76 4.94 1.08 0.04 0.00 -1.26 -4.87 105.19 106.87 1pco n GLY 6 Ca -0.01 -2.50 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 0.13 0.61 -2.99 -0.61 5.41 -1.26 -5.11 119.36 115.53 1pco n ILE 7 Ca 0.29 0.20 -0.04 0.00 1.00 0.00 0.00 62.75 64.20 1pco n ILE 7 Cb 0.45 -1.49 0.02 0.00 -0.71 0.00 0.00 39.64 37.91 1pco n ILE 7 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1pco n ILE 8 N -3.25 -9.16 -4.33 1.39 -0.00 -1.26 -5.08 119.36 97.68 1pco n ILE 8 Ca 0.00 -0.54 -0.17 0.00 -0.00 0.00 0.00 62.75 62.03 1pco n ILE 8 Cb 0.23 -6.53 -0.10 0.00 -0.00 0.00 0.00 39.64 33.24 1pco n ILE 8 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.55 176.82 1pco s ILE 9 N -3.11 0.52 0.00 1.39 -4.36 -1.26 -5.02 121.20 109.35 1pco s ILE 9 Ca 0.13 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 1pco s ILE 9 Cb -0.02 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.09 1pco s ILE 9 CO 0.69 0.00 0.00 0.59 0.24 0.00 0.00 174.94 176.46 1pco n ASN 10 N -0.61 -0.24 -4.09 4.36 3.02 0.02 -5.01 115.26 112.71 1pco n ASN 10 Ca -0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1pco n ASN 10 Cb 0.66 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.62 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 -0.01 1.71 0.76 3.41 2.34 -1.25 -4.74 118.68 120.89 1pco s LEU 11 Ca 0.00 -1.09 -0.12 0.00 0.06 0.00 0.00 54.13 52.99 1pco s LEU 11 Cb 0.00 0.49 0.05 0.00 -0.56 0.00 0.00 46.19 46.16 1pco s LEU 11 CO 0.00 -0.74 1.14 -1.81 -1.06 0.00 0.00 176.35 173.87 1pco s ASP 12 N -3.01 4.97 0.27 1.48 1.01 -1.26 -1.01 116.67 119.12 1pco s ASP 12 Ca 0.19 0.94 -0.29 0.00 0.71 0.00 0.00 52.55 54.10 1pco s ASP 12 Cb 0.07 -1.58 -0.09 0.00 1.01 0.00 0.00 42.92 42.32 1pco s ASP 12 CO -0.01 -1.63 1.18 -1.61 0.21 0.00 0.00 175.17 173.31 1pco s GLU 13 N -5.46 4.53 0.00 8.23 8.01 -1.26 -3.45 118.70 129.30 1pco s GLU 13 Ca 0.60 1.93 0.00 0.00 0.01 0.00 0.00 54.97 57.51 1pco s GLU 13 Cb -0.11 -3.17 0.00 0.00 -4.31 0.00 0.00 34.13 26.54 1pco s GLU 13 CO 0.50 0.04 0.00 0.41 0.01 0.00 0.00 175.26 176.23 1pco n GLY 14 N 1.31 0.76 3.65 -1.39 0.00 0.20 -4.90 105.19 104.82 1pco n GLY 14 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.64 2.69 -0.18 1.61 2.02 -1.22 -4.83 118.70 118.16 1pco s GLU 15 Ca 0.00 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 54.05 1pco s GLU 15 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 1pco s GLU 15 CO 0.00 0.62 1.72 -1.17 0.02 0.00 0.00 175.26 176.45 1pco s LEU 16 N -1.48 3.95 0.14 1.80 0.20 -1.26 -1.86 118.68 120.17 1pco s LEU 16 Ca 0.18 1.82 0.07 0.00 0.69 0.00 0.00 54.13 56.89 1pco s LEU 16 Cb -0.11 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.08 1pco s LEU 16 CO 0.09 -1.28 -0.02 0.00 -0.29 0.00 0.00 176.35 174.85 1pco n LEU 18 N 0.17 2.01 -5.01 0.00 4.77 -1.26 -4.60 117.00 113.08 1pco n LEU 18 Ca -0.11 0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.71 1pco n LEU 18 Cb 0.54 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1pco n LEU 18 CO 0.38 -0.07 0.44 0.54 -1.33 0.00 0.00 177.39 177.35 1pco s ASN 19 N -1.29 4.76 0.44 -1.43 2.20 -1.26 -4.60 114.94 113.75 1pco s ASN 19 Ca 0.00 -0.60 0.26 0.00 -0.94 0.00 0.00 52.86 51.58 1pco s ASN 19 Cb 0.00 0.11 0.65 0.00 -2.00 0.00 0.00 41.25 40.01 1pco s ASN 19 CO 0.00 -1.57 1.72 0.28 -2.94 0.00 0.00 177.10 174.58 1pco h SER 20 N -0.15 0.00 0.00 3.54 0.02 -1.43 -3.31 113.55 112.22 1pco h SER 20 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1pco h SER 20 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1pco h SER 20 CO 0.41 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.10 1pco n ALA 21 N -2.06 2.31 -0.12 3.77 0.00 -1.22 -3.68 120.51 119.51 1pco n ALA 21 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 1pco n ALA 21 Cb 0.46 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.06 0.59 -1.97 0.00 1.13 -1.25 -4.87 117.38 110.96 1pco n GLN 22 Ca 0.00 0.34 -0.28 0.00 -1.94 0.00 0.00 57.00 55.11 1pco n GLN 22 Cb 0.17 -1.57 0.09 0.00 0.11 0.00 0.00 30.24 29.04 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 -1.00 -0.65 -6.08 0.00 1.57 -1.37 -3.34 116.57 105.69 1pco h LYS 24 Ca -0.45 0.04 -0.57 0.00 -1.87 0.00 0.00 60.65 57.80 1pco h LYS 24 Cb 1.32 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 33.68 1pco h LYS 24 CO 0.63 -0.37 0.89 0.45 -0.57 0.00 0.00 179.45 180.48 1pco s SER 25 N -4.70 6.18 -0.98 0.86 0.15 -1.26 -4.95 113.70 109.00 1pco s SER 25 Ca -0.16 -0.59 -0.20 0.00 0.70 0.00 0.00 55.95 55.70 1pco s SER 25 Cb 0.03 -2.51 -0.10 0.00 -1.71 0.00 0.00 66.02 61.72 1pco s SER 25 CO 0.57 -1.69 1.97 -0.46 1.20 0.00 0.00 173.24 174.84 1pco n ASN 26 N 8.80 2.97 -3.28 5.45 6.94 -1.25 -4.63 115.26 130.26 1pco n ASN 26 Ca 0.01 -2.72 -0.17 0.00 -0.02 0.00 0.00 54.58 51.67 1pco n ASN 26 Cb 0.48 -1.33 -0.07 0.00 -2.36 0.00 0.00 39.78 36.50 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 3.21 3.64 0.90 0.00 2.00 0.91 -0.61 119.66 129.71 1pco s GLN 29 Ca 0.43 -0.53 -0.10 0.00 -2.00 0.00 0.00 55.36 53.16 1pco s GLN 29 Cb -0.15 -3.66 0.14 0.00 0.80 0.00 0.00 33.01 30.14 1pco s GLN 29 CO 0.07 -0.32 1.15 -1.01 -0.50 0.00 0.00 175.29 174.68 1pco s HIS 30 N 1.70 1.66 -1.33 1.67 3.76 -0.89 -2.36 115.29 119.51 1pco s HIS 30 Ca 0.06 1.78 -0.06 0.00 -0.15 0.00 0.00 55.06 56.69 1pco s HIS 30 Cb -0.17 -3.35 0.12 0.00 1.11 0.00 0.00 32.58 30.29 1pco s HIS 30 CO 0.09 -2.78 2.38 -0.40 -0.85 0.00 0.00 174.74 173.18 1pco n ASP 31 N -4.12 7.98 0.00 1.40 5.75 -1.15 -4.80 116.55 121.61 1pco n ASP 31 Ca 0.12 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 1pco n ASP 31 Cb 0.52 -1.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.24 1pco n ASP 31 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1pco n THR 32 N 1.83 0.00 0.00 2.12 -1.04 -1.26 -4.58 114.28 111.35 1pco n THR 32 Ca 0.62 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 1pco n THR 32 Cb 0.25 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1pco n THR 32 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1pco n ILE 33 N 0.00 0.00 0.00 12.58 5.41 -1.26 -4.88 119.36 131.21 1pco n ILE 33 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1pco n ILE 33 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 0.00 0.00 1.39 7.99 -1.26 -4.82 117.00 120.30 1pco n LEU 34 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1pco n LEU 34 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1pco n LEU 34 CO 0.00 0.00 0.00 -1.54 -1.51 0.00 0.00 177.39 174.34 1pco n SER 35 N 4.37 0.00 -3.68 -1.43 3.41 -1.26 -4.99 113.62 110.04 1pco n SER 35 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1pco n SER 35 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 -0.04 -4.58 1.04 7.94 -1.26 -2.92 117.00 117.18 1pco n LEU 36 Ca 0.00 -0.21 -0.39 0.00 -1.11 0.00 0.00 56.01 54.31 1pco n LEU 36 Cb 0.00 -0.26 -0.11 0.00 0.53 0.00 0.00 43.42 43.59 1pco n LEU 36 CO 0.00 0.13 -0.12 -0.44 -1.11 0.00 0.00 177.39 175.85 1pco s SER 37 N -4.51 6.07 0.36 1.96 0.01 -1.26 -4.08 113.70 112.25 1pco s SER 37 Ca 0.07 -0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.36 1pco s SER 37 Cb -0.04 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 1pco s SER 37 CO 0.16 -0.11 0.51 -0.13 0.41 0.00 0.00 173.24 174.07 1pco s ARG 38 N 1.82 3.08 0.46 12.44 1.81 -0.99 -1.25 118.95 136.32 1pco s ARG 38 Ca 0.08 -0.97 -0.18 0.00 -1.72 0.00 0.00 55.73 52.94 1pco s ARG 38 Cb -0.16 -2.78 -0.09 0.00 -0.45 0.00 0.00 34.95 31.46 1pco s ARG 38 CO 0.11 -0.02 0.95 0.00 -0.68 0.00 0.00 175.30 175.66 1pco n ALA 40 N -1.07 0.58 -2.36 0.00 0.00 -0.17 -0.63 120.51 116.86 1pco n ALA 40 Ca 0.06 -1.73 -0.39 0.00 0.00 0.00 0.00 53.44 51.38 1pco n ALA 40 Cb 0.54 1.40 -0.06 0.00 0.00 0.00 0.00 19.45 21.33 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 4.48 0.56 0.00 2.01 -1.26 -4.48 118.68 119.99 1pco s LEU 41 Ca 0.35 1.25 -0.15 0.00 0.01 0.00 0.00 54.13 55.59 1pco s LEU 41 Cb 0.02 -2.96 -0.06 0.00 0.01 0.00 0.00 46.19 43.20 1pco s LEU 41 CO 0.25 0.17 1.02 -1.59 1.01 0.00 0.00 176.35 177.21 1pco s LYS 42 N -0.62 3.66 0.56 1.70 0.00 -1.26 -4.75 119.74 119.04 1pco s LYS 42 Ca 0.31 1.01 -0.15 0.00 0.00 0.00 0.00 55.97 57.14 1pco s LYS 42 Cb -0.19 -2.09 -0.06 0.00 0.00 0.00 0.00 37.83 35.49 1pco s LYS 42 CO 0.19 -0.51 1.01 0.00 0.00 0.00 0.00 175.35 176.03 1pco s ALA 43 N -2.66 3.05 0.35 0.59 0.00 -0.35 -4.85 121.76 117.90 1pco s ALA 43 Ca 0.60 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.69 1pco s ALA 43 Cb -0.12 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 1pco s ALA 43 CO 0.37 -0.44 0.09 1.03 0.00 0.00 0.00 175.76 176.80 1pco s ARG 44 N -4.46 1.73 0.10 0.00 0.52 -1.26 -1.21 118.95 114.37 1pco s ARG 44 Ca 0.58 -2.00 -0.36 0.00 -0.52 0.00 0.00 55.73 53.43 1pco s ARG 44 Cb -0.11 -0.72 -0.16 0.00 0.52 0.00 0.00 34.95 34.47 1pco s ARG 44 CO 0.40 -0.30 1.34 -1.91 0.02 0.00 0.00 175.30 174.84 1pco n GLU 45 N -0.75 1.23 -1.00 3.54 2.13 -1.26 -1.80 120.64 122.72 1pco n GLU 45 Ca -0.04 0.44 -0.00 0.00 0.66 0.00 0.00 57.16 58.23 1pco n GLU 45 Cb 0.66 -2.08 -0.00 0.00 0.27 0.00 0.00 31.44 30.29 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 2.53 -3.42 -4.67 4.31 4.13 -0.30 -4.98 115.26 112.87 1pco n ASN 46 Ca 0.18 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.13 1pco n ASN 46 Cb 0.20 -0.93 -0.08 0.00 -1.54 0.00 0.00 39.78 37.43 1pco n ASN 46 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1pco s SER 47 N -2.02 4.94 -0.41 6.41 0.15 -0.75 -4.87 113.70 117.14 1pco s SER 47 Ca 0.00 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.19 1pco s SER 47 Cb 0.00 -1.17 0.02 0.00 -1.71 0.00 0.00 66.02 63.17 1pco s SER 47 CO 0.00 0.20 1.13 -0.70 1.20 0.00 0.00 173.24 175.07 1pco s GLU 48 N -2.12 3.85 0.59 5.44 2.12 -1.26 -1.22 118.70 126.10 1pco s GLU 48 Ca 0.24 0.78 0.07 0.00 0.36 0.00 0.00 54.97 56.42 1pco s GLU 48 Cb -0.12 -3.85 0.09 0.00 0.26 0.00 0.00 34.13 30.52 1pco s GLU 48 CO 0.16 -1.20 0.82 0.00 -0.54 0.00 0.00 175.26 174.49 1pco n SER 50 N -2.35 0.00 0.00 0.00 7.64 -0.74 -1.65 113.62 116.53 1pco n SER 50 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1pco n SER 50 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1pco n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pco n ALA 51 N -3.00 0.00 -0.00 -0.43 0.00 -1.22 -2.22 120.51 113.64 1pco n ALA 51 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1pco n ALA 51 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1pco n ALA 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pco h PHE 52 N 0.00 0.38 -3.63 0.00 -0.00 -1.98 -3.46 116.94 108.25 1pco h PHE 52 Ca 0.00 -0.23 0.13 0.00 -0.00 0.00 0.00 57.97 57.86 1pco h PHE 52 Cb 0.00 -0.03 -0.07 0.00 -0.00 0.00 0.00 35.95 35.85 1pco h PHE 52 CO 0.00 1.10 -1.08 0.25 -0.00 0.00 0.00 178.31 178.58 1pco n THR 53 N -4.35 -2.19 -2.91 0.88 -2.24 -1.26 -5.06 114.28 97.16 1pco n THR 53 Ca -0.11 1.27 -0.21 0.00 -2.27 0.00 0.00 64.05 62.73 1pco n THR 53 Cb 0.63 -2.06 0.08 0.00 -2.10 0.00 0.00 70.33 66.88 1pco n THR 53 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1pco s LEU 54 N -6.06 3.01 -0.02 3.22 2.34 -1.26 -5.03 118.68 114.89 1pco s LEU 54 Ca 0.00 -0.76 0.05 0.00 0.06 0.00 0.00 54.13 53.47 1pco s LEU 54 Cb 0.00 -1.60 0.17 0.00 -0.56 0.00 0.00 46.19 44.20 1pco s LEU 54 CO 0.00 -1.58 1.04 0.00 -1.06 0.00 0.00 176.35 174.75 1pco n TYR 55 N -2.47 0.31 -1.91 3.48 4.11 -1.26 -4.92 117.16 114.50 1pco n TYR 55 Ca 0.17 -0.13 0.00 0.00 -0.00 0.00 0.00 57.90 57.93 1pco n TYR 55 Cb 0.62 -0.06 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 1pco n TYR 55 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1pco n GLY 56 N 0.60 4.47 3.76 -7.48 0.00 -1.26 -1.96 105.19 103.33 1pco n GLY 56 Ca 0.06 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 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 2.09 3.97 0.18 1.61 1.01 -1.26 -3.53 120.40 124.48 1pco s VAL 57 Ca 0.00 1.82 0.11 0.00 0.00 0.00 0.00 61.98 63.91 1pco s VAL 57 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1pco s VAL 57 CO 0.00 0.30 -0.23 -0.31 0.00 0.00 0.00 175.10 174.86 1pco s TYR 58 N -1.37 2.33 -0.13 5.22 2.02 0.21 -4.92 117.35 120.71 1pco s TYR 58 Ca 0.46 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.69 1pco s TYR 58 Cb -0.24 -1.17 -0.10 0.00 -0.40 0.00 0.00 41.96 40.05 1pco s TYR 58 CO 0.30 0.48 0.20 1.88 -1.57 0.00 0.00 175.55 176.84 1pco h TYR 59 N 3.28 0.00 -3.28 2.71 -1.99 -1.90 -2.36 116.97 113.43 1pco h TYR 59 Ca -0.47 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 59.72 1pco h TYR 59 Cb 1.20 0.00 -0.40 0.00 2.00 0.00 0.00 36.73 39.54 1pco h TYR 59 CO 0.67 0.45 -0.77 0.15 -0.00 0.00 0.00 178.16 178.67 1pco s LYS 60 N -1.96 0.77 0.70 4.88 1.02 -1.26 -4.87 119.74 119.02 1pco s LYS 60 Ca -0.11 -0.61 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1pco s LYS 60 Cb 0.00 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1pco s LYS 60 CO 0.30 -0.71 0.63 0.00 -0.92 0.00 0.00 175.35 174.65 1pco s PRO 62 N -2.79 -0.06 0.68 0.00 0.04 -1.26 -3.80 135.00 127.80 1pco s PRO 62 Ca 0.68 0.30 -0.14 0.00 0.04 0.00 0.00 61.00 61.88 1pco s PRO 62 Cb -0.36 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1pco s PRO 62 CO 0.56 -3.01 1.09 0.00 0.04 0.00 0.00 177.00 175.68 1pco s GLU 64 N -4.33 -0.56 -0.20 0.00 4.04 -0.35 -4.80 118.70 112.49 1pco s GLU 64 Ca 0.65 0.84 -0.29 0.00 0.04 0.00 0.00 54.97 56.22 1pco s GLU 64 Cb -0.19 -1.59 -0.05 0.00 0.02 0.00 0.00 34.13 32.32 1pco s GLU 64 CO 0.45 -3.49 2.02 1.03 -1.84 0.00 0.00 175.26 173.43 1pco s ARG 65 N -4.56 3.41 0.00 -4.83 0.52 -1.26 -2.40 118.95 109.83 1pco s ARG 65 Ca 0.68 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.83 1pco s ARG 65 Cb -0.24 -4.26 0.00 0.00 0.52 0.00 0.00 34.95 30.97 1pco s ARG 65 CO 0.63 -1.78 0.00 0.41 0.02 0.00 0.00 175.30 174.58 1pco n GLY 66 N 5.37 2.17 3.89 -3.53 0.00 -1.26 -5.13 105.19 106.70 1pco n GLY 66 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 4.38 0.16 0.99 1.02 -1.01 -4.59 118.68 119.63 1pco s LEU 67 Ca 0.00 0.44 0.04 0.00 0.02 0.00 0.00 54.13 54.62 1pco s LEU 67 Cb 0.00 -2.45 -0.04 0.00 0.02 0.00 0.00 46.19 43.72 1pco s LEU 67 CO 0.00 0.31 0.23 0.28 0.02 0.00 0.00 176.35 177.19 1pco s THR 68 N -1.22 4.99 -1.06 5.49 -1.32 0.31 -4.74 115.64 118.09 1pco s THR 68 Ca 0.23 -0.87 -0.13 0.00 -1.21 0.00 0.00 61.69 59.71 1pco s THR 68 Cb -0.13 -3.58 0.21 0.00 -1.51 0.00 0.00 72.50 67.49 1pco s THR 68 CO 0.13 -0.12 1.16 0.00 -2.21 0.00 0.00 174.62 173.58 1pco s GLU 70 N 0.64 1.28 0.00 0.00 0.41 0.80 -4.49 118.70 117.35 1pco s GLU 70 Ca 0.33 -0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.72 1pco s GLU 70 Cb -0.07 -1.37 0.00 0.00 -1.78 0.00 0.00 34.13 30.91 1pco s GLU 70 CO -0.06 -0.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.89 1pco n GLY 71 N 4.82 -0.01 3.90 -1.39 0.00 -1.26 -3.49 105.19 107.77 1pco n GLY 71 Ca -0.13 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 4.71 -0.30 1.61 1.11 -1.26 -4.84 116.67 117.70 1pco s ASP 72 Ca 0.00 0.78 0.00 0.00 0.18 0.00 0.00 52.55 53.52 1pco s ASP 72 Cb 0.00 -1.35 0.19 0.00 1.07 0.00 0.00 42.92 42.83 1pco s ASP 72 CO 0.00 -1.76 0.64 -0.54 1.18 0.00 0.00 175.17 174.69 1pco s LYS 73 N -5.49 0.52 -1.08 8.23 -0.14 -1.13 -4.09 119.74 116.57 1pco s LYS 73 Ca 0.61 0.77 -0.14 0.00 -1.36 0.00 0.00 55.97 55.86 1pco s LYS 73 Cb -0.11 0.41 0.20 0.00 -1.68 0.00 0.00 37.83 36.65 1pco s LYS 73 CO 0.49 -0.73 1.20 -1.12 -0.76 0.00 0.00 175.35 174.43 1pco s SER 74 N 2.86 7.01 -1.40 2.83 0.01 -1.25 -4.91 113.70 118.85 1pco s SER 74 Ca 0.16 -2.93 -0.07 0.00 1.31 0.00 0.00 55.95 54.41 1pco s SER 74 Cb -0.12 -2.32 0.07 0.00 0.21 0.00 0.00 66.02 63.86 1pco s SER 74 CO -0.22 -0.66 2.44 0.18 0.41 0.00 0.00 173.24 175.39 1pco n LEU 75 N 4.80 7.97 -3.57 2.44 4.32 -1.26 -4.08 117.00 127.62 1pco n LEU 75 Ca 0.28 -4.70 -0.29 0.00 -0.02 0.00 0.00 56.01 51.28 1pco n LEU 75 Cb 0.44 -1.44 -0.13 0.00 -1.62 0.00 0.00 43.42 40.66 1pco n LEU 75 CO 0.52 1.92 -0.31 -0.69 -1.22 0.00 0.00 177.39 177.61 1pco s VAL 76 N 0.06 0.48 -1.52 4.08 1.01 -1.24 -5.06 120.40 118.20 1pco s VAL 76 Ca 0.55 -1.64 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1pco s VAL 76 Cb 0.17 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 1pco s VAL 76 CO -0.07 -0.87 2.51 0.61 0.00 0.00 0.00 175.10 177.28 1pco n GLY 77 N 4.32 4.35 0.00 4.51 0.00 -1.26 -4.44 105.19 112.67 1pco n GLY 77 Ca 0.05 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 5.16 0.00 -0.03 1.61 2.88 -1.26 -5.11 113.62 116.86 1pco n SER 78 Ca 0.62 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 58.14 1pco n SER 78 Cb 0.33 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.78 1pco n SER 78 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1pco h ILE 79 N 0.00 0.00 -5.36 2.46 3.07 -2.04 -3.50 117.51 112.14 1pco h ILE 79 Ca 0.00 -0.52 -0.55 0.00 1.55 0.00 0.00 64.86 65.34 1pco h ILE 79 Cb 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 36.82 36.48 1pco h ILE 79 CO 0.00 0.00 -0.32 0.35 -1.05 0.00 0.00 178.15 177.13 1pco n THR 80 N -3.47 0.00 -2.73 0.16 -2.24 -1.26 -4.89 114.28 99.84 1pco n THR 80 Ca -0.03 -2.04 -0.03 0.00 -2.27 0.00 0.00 64.05 59.69 1pco n THR 80 Cb 0.10 0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1pco n THR 80 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pco n ASN 81 N -1.61 -6.24 -0.10 3.42 5.15 -1.26 -4.90 115.26 109.72 1pco n ASN 81 Ca -0.09 -0.18 -0.14 0.00 -0.60 0.00 0.00 54.58 53.58 1pco n ASN 81 Cb 0.57 -4.27 -0.05 0.00 -0.53 0.00 0.00 39.78 35.50 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 -1.90 1.50 -2.91 -0.44 -2.24 -1.26 -3.64 114.28 103.39 1pco n THR 82 Ca -0.01 0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.73 1pco n THR 82 Cb 0.52 -2.24 -0.01 0.00 -2.10 0.00 0.00 70.33 66.51 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 -6.29 -1.09 0.28 3.42 3.84 -1.26 -4.65 114.94 109.20 1pco s ASN 83 Ca -0.30 -1.72 0.09 0.00 0.21 0.00 0.00 52.86 51.14 1pco s ASN 83 Cb 0.06 1.64 -0.04 0.00 -0.55 0.00 0.00 41.25 42.36 1pco s ASN 83 CO 0.43 -0.09 0.04 -0.36 -2.79 0.00 0.00 177.10 174.33 1pco s PHE 84 N 0.96 2.71 0.24 0.43 0.08 -1.26 -3.37 117.98 117.76 1pco s PHE 84 Ca 0.28 -0.26 -0.22 0.00 0.12 0.00 0.00 56.93 56.85 1pco s PHE 84 Cb -0.01 -1.31 0.04 0.00 -0.57 0.00 0.00 43.02 41.17 1pco s PHE 84 CO -0.07 0.55 0.71 0.20 -0.10 0.00 0.00 175.22 176.51 1pco s GLY 85 N -3.72 -0.24 -0.14 4.36 0.00 -0.66 -2.82 107.32 104.10 1pco s GLY 85 Ca 0.33 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.89 1pco s GLY 85 CO 0.21 -0.01 0.20 -0.42 0.00 0.00 0.00 173.10 173.08 1pco s ILE 86 N -3.82 5.38 0.07 0.90 -1.09 -1.23 -0.51 121.20 120.89 1pco s ILE 86 Ca 0.08 0.35 -0.31 0.00 -2.23 0.00 0.00 60.65 58.55 1pco s ILE 86 Cb -0.04 -3.51 -0.09 0.00 -1.58 0.00 0.00 42.46 37.24 1pco s ILE 86 CO 0.01 0.50 1.74 0.00 -1.23 0.00 0.00 174.94 175.97 1pco s HIS 88 N 3.08 0.19 -0.24 0.00 3.76 0.09 -1.15 115.29 121.02 1pco s HIS 88 Ca 0.78 -0.50 -0.14 0.00 -0.15 0.00 0.00 55.06 55.05 1pco s HIS 88 Cb -0.41 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.11 1pco s HIS 88 CO 0.34 -0.39 0.31 1.21 -0.85 0.00 0.00 174.74 175.36 1pco s ASN 89 N -2.21 6.26 -0.43 1.40 2.47 -1.26 -0.53 114.94 120.63 1pco s ASN 89 Ca -0.04 0.29 0.02 0.00 0.42 0.00 0.00 52.86 53.56 1pco s ASN 89 Cb -0.00 -2.18 0.15 0.00 -1.45 0.00 0.00 41.25 37.76 1pco s ASN 89 CO -0.05 -0.08 0.28 -0.69 -3.72 0.00 0.00 177.10 172.84 1pco s VAL 90 N 1.55 0.86 0.00 -5.21 1.01 -1.26 -4.97 120.40 112.38 1pco s VAL 90 Ca 0.14 -2.47 0.00 0.00 0.00 0.00 0.00 61.98 59.65 1pco s VAL 90 Cb -0.15 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1pco s VAL 90 CO 0.08 -1.03 0.00 0.61 0.00 0.00 0.00 175.10 174.77 1pco n GLY 91 N 3.37 1.81 1.92 4.51 0.00 -1.26 -4.83 105.19 110.71 1pco n GLY 91 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 1pco n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pco n ARG 92 N 0.00 -1.35 0.00 1.61 0.00 -1.26 -5.20 116.66 110.46 1pco n ARG 92 Ca 0.00 1.38 0.12 0.00 -0.00 0.00 0.00 57.85 59.35 1pco n ARG 92 Cb 0.00 -2.52 0.73 0.00 0.00 0.00 0.00 32.46 30.66 1pco n ARG 92 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50