#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 3.93 -0.02 1.45 0.04 -1.26 -4.48 135.00 134.67 1pco s PRO 2 Ca 0.00 -1.90 -0.00 0.00 0.04 0.00 0.00 61.00 59.13 1pco s PRO 2 Cb 0.00 -5.46 0.00 0.00 0.04 0.00 0.00 34.50 29.08 1pco s PRO 2 CO 0.00 -2.21 0.00 -0.25 0.04 0.00 0.00 177.00 174.59 1pco n ASP 3 N 8.23 -2.23 -0.27 6.66 9.92 -1.26 -5.00 116.55 132.60 1pco n ASP 3 Ca 0.45 0.08 0.03 0.00 -0.53 0.00 0.00 54.79 54.82 1pco n ASP 3 Cb 0.47 -1.23 0.17 0.00 -0.64 0.00 0.00 41.12 39.88 1pco n ASP 3 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1pco h PRO 4 N 0.17 0.66 -2.97 -0.24 0.11 -2.09 -3.36 132.00 124.28 1pco h PRO 4 Ca -0.01 -0.04 -0.60 0.00 0.11 0.00 0.00 66.00 65.46 1pco h PRO 4 Cb 0.02 -0.15 -0.40 0.00 0.11 0.00 0.00 31.00 30.58 1pco h PRO 4 CO 0.00 0.44 -0.76 1.03 -0.21 0.00 0.00 178.00 178.51 1pco s ARG 5 N -6.03 1.11 -0.46 1.05 0.52 -1.26 -5.06 118.95 108.82 1pco s ARG 5 Ca -0.12 -1.81 0.06 0.00 -0.52 0.00 0.00 55.73 53.33 1pco s ARG 5 Cb 0.19 -2.13 0.18 0.00 0.52 0.00 0.00 34.95 33.71 1pco s ARG 5 CO 0.77 -1.15 0.55 0.20 0.02 0.00 0.00 175.30 175.69 1pco s GLY 6 N 0.59 -0.21 -1.00 -3.53 0.00 -1.26 -5.06 107.32 96.85 1pco s GLY 6 Ca 0.17 -1.25 -0.13 0.00 0.00 0.00 0.00 44.72 43.51 1pco s GLY 6 CO -0.01 2.99 1.04 -0.42 0.00 0.00 0.00 173.10 176.70 1pco s ILE 7 N 0.60 5.57 0.00 0.90 1.01 -1.26 -4.98 121.20 123.04 1pco s ILE 7 Ca 0.30 -2.75 0.00 0.00 0.00 0.00 0.00 60.65 58.21 1pco s ILE 7 Cb 0.01 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1pco s ILE 7 CO -0.11 -1.23 0.00 2.30 0.00 0.00 0.00 174.94 175.90 1pco n ILE 8 N 3.77 0.00 -4.58 2.92 -5.35 -1.26 -4.79 119.36 110.07 1pco n ILE 8 Ca 0.22 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.44 1pco n ILE 8 Cb 0.44 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.24 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 0.00 1.29 -0.33 7.28 -0.00 -1.26 -5.16 121.20 123.02 1pco s ILE 9 Ca 0.00 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.65 1pco s ILE 9 Cb 0.00 -2.63 0.14 0.00 -0.00 0.00 0.00 42.46 39.97 1pco s ILE 9 CO 0.00 0.00 0.27 0.54 -0.00 0.00 0.00 174.94 175.75 1pco s ASN 10 N -3.66 2.23 -0.28 4.36 4.22 -1.21 -4.38 114.94 116.22 1pco s ASN 10 Ca 0.27 -1.51 -0.13 0.00 -2.14 0.00 0.00 52.86 49.35 1pco s ASN 10 Cb 0.06 0.11 0.10 0.00 1.28 0.00 0.00 41.25 42.81 1pco s ASN 10 CO 0.13 -0.34 0.65 -0.22 -2.04 0.00 0.00 177.10 175.29 1pco s LEU 11 N 1.67 -1.00 0.72 3.54 2.96 -1.20 -4.86 118.68 120.51 1pco s LEU 11 Ca 0.14 1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 55.44 1pco s LEU 11 Cb -0.17 2.28 0.03 0.00 0.50 0.00 0.00 46.19 48.82 1pco s LEU 11 CO -0.15 -0.23 1.10 -1.81 -1.32 0.00 0.00 176.35 173.94 1pco s ASP 12 N 2.23 5.29 0.37 3.68 1.11 -1.26 -0.74 116.67 127.35 1pco s ASP 12 Ca -0.08 1.04 -0.26 0.00 0.18 0.00 0.00 52.55 53.43 1pco s ASP 12 Cb -0.09 -1.79 -0.09 0.00 1.07 0.00 0.00 42.92 42.02 1pco s ASP 12 CO -0.19 -1.42 1.08 -1.83 1.18 0.00 0.00 175.17 173.99 1pco s GLU 13 N -5.37 4.27 0.00 8.23 1.03 -1.26 -3.84 118.70 121.76 1pco s GLU 13 Ca 0.59 1.65 0.00 0.00 0.03 0.00 0.00 54.97 57.23 1pco s GLU 13 Cb -0.11 -2.74 0.00 0.00 -0.80 0.00 0.00 34.13 30.48 1pco s GLU 13 CO 0.51 -0.07 0.00 0.41 -1.33 0.00 0.00 175.26 174.77 1pco n GLY 14 N 0.63 0.99 3.04 -3.83 0.00 0.50 -4.94 105.19 101.58 1pco n GLY 14 Ca 0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.66 0.50 -0.14 1.61 2.02 -1.25 -4.97 118.70 114.81 1pco s GLU 15 Ca 0.00 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.04 1pco s GLU 15 Cb 0.00 -0.30 -0.04 0.00 0.10 0.00 0.00 34.13 33.90 1pco s GLU 15 CO 0.00 0.06 1.59 -1.17 0.02 0.00 0.00 175.26 175.76 1pco s LEU 16 N -1.34 4.11 0.17 1.80 0.20 -1.26 -1.50 118.68 120.85 1pco s LEU 16 Ca -0.08 1.90 0.10 0.00 0.69 0.00 0.00 54.13 56.74 1pco s LEU 16 Cb -0.09 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.10 1pco s LEU 16 CO 0.00 -1.06 -0.18 0.00 -0.29 0.00 0.00 176.35 174.82 1pco n LEU 18 N 0.38 1.32 -4.99 0.00 4.32 -1.26 -4.48 117.00 112.30 1pco n LEU 18 Ca -0.13 0.03 -0.20 0.00 -0.02 0.00 0.00 56.01 55.69 1pco n LEU 18 Cb 0.55 -0.06 0.02 0.00 -1.62 0.00 0.00 43.42 42.30 1pco n LEU 18 CO 0.30 -0.06 0.24 0.20 -1.22 0.00 0.00 177.39 176.85 1pco s ASN 19 N -1.32 5.55 0.51 -1.43 0.01 -1.26 -4.60 114.94 112.40 1pco s ASN 19 Ca 0.00 -0.15 0.29 0.00 -0.71 0.00 0.00 52.86 52.30 1pco s ASN 19 Cb 0.00 -0.90 1.20 0.00 0.41 0.00 0.00 41.25 41.96 1pco s ASN 19 CO 0.00 -0.88 1.93 -1.28 -1.51 0.00 0.00 177.10 175.36 1pco h SER 20 N 0.40 0.00 0.00 -1.22 0.87 -1.81 -3.26 113.55 108.54 1pco h SER 20 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1pco h SER 20 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1pco h SER 20 CO 0.50 0.10 0.00 0.00 -0.53 0.00 0.00 176.83 176.90 1pco n ALA 21 N -2.16 2.31 -0.10 6.23 0.00 -1.26 -3.69 120.51 121.84 1pco n ALA 21 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1pco n ALA 21 Cb 0.35 -1.00 -0.10 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 -0.12 0.54 -2.85 0.00 6.02 -1.23 -4.90 117.38 114.84 1pco n GLN 22 Ca 0.00 0.11 -0.34 0.00 -0.01 0.00 0.00 57.00 56.77 1pco n GLN 22 Cb 0.14 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 29.93 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 2.17 -0.51 -6.13 0.00 1.57 -1.13 -3.28 116.57 109.24 1pco h LYS 24 Ca -0.49 0.03 -0.57 0.00 -1.87 0.00 0.00 60.65 57.76 1pco h LYS 24 Cb 1.18 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.51 1pco h LYS 24 CO 0.62 -0.34 0.89 -1.54 -0.57 0.00 0.00 179.45 178.51 1pco s SER 25 N -4.75 6.22 -1.18 0.86 1.04 -1.26 -4.95 113.70 109.68 1pco s SER 25 Ca -0.16 -0.50 -0.23 0.00 0.48 0.00 0.00 55.95 55.55 1pco s SER 25 Cb 0.06 -2.52 -0.09 0.00 0.10 0.00 0.00 66.02 63.58 1pco s SER 25 CO 0.64 -1.65 1.94 0.54 0.98 0.00 0.00 173.24 175.70 1pco s ASN 26 N 3.55 4.96 -0.48 7.02 4.22 -1.24 -4.72 114.94 128.26 1pco s ASN 26 Ca 0.33 -1.62 0.07 0.00 -2.14 0.00 0.00 52.86 49.49 1pco s ASN 26 Cb -0.10 -2.59 0.18 0.00 1.28 0.00 0.00 41.25 40.02 1pco s ASN 26 CO 0.16 -3.15 0.65 0.00 -2.04 0.00 0.00 177.10 172.71 1pco s GLN 29 N 4.37 4.18 0.37 0.00 -0.44 -0.68 -1.55 119.66 125.92 1pco s GLN 29 Ca 0.44 0.50 -0.20 0.00 -2.50 0.00 0.00 55.36 53.60 1pco s GLN 29 Cb -0.08 -3.58 -0.10 0.00 -1.64 0.00 0.00 33.01 27.61 1pco s GLN 29 CO 0.29 -0.22 0.87 -1.58 0.50 0.00 0.00 175.29 175.15 1pco s HIS 30 N 1.86 3.39 -1.87 1.67 5.65 -0.49 -1.55 115.29 123.95 1pco s HIS 30 Ca 0.26 1.50 0.09 0.00 0.25 0.00 0.00 55.06 57.16 1pco s HIS 30 Cb -0.16 -2.75 0.54 0.00 -1.18 0.00 0.00 32.58 29.03 1pco s HIS 30 CO 0.10 0.01 1.05 -0.40 -0.65 0.00 0.00 174.74 174.84 1pco n ASP 31 N -0.35 0.00 -2.21 9.88 5.75 -1.17 -4.85 116.55 123.60 1pco n ASP 31 Ca 0.05 -0.20 -0.02 0.00 -0.01 0.00 0.00 54.79 54.61 1pco n ASP 31 Cb 0.53 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 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 -1.06 -7.42 -0.23 2.12 -2.24 -1.26 -4.96 114.28 99.23 1pco n THR 32 Ca 0.06 0.81 0.00 0.00 -2.27 0.00 0.00 64.05 62.66 1pco n THR 32 Cb 0.04 -5.74 0.00 0.00 -2.10 0.00 0.00 70.33 62.53 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 0.06 -1.52 -2.48 2.28 -0.00 -1.26 -4.96 119.36 111.48 1pco n ILE 33 Ca 0.03 0.33 0.00 0.00 -0.00 0.00 0.00 62.75 63.11 1pco n ILE 33 Cb 0.11 -0.46 0.00 0.00 -0.00 0.00 0.00 39.64 39.29 1pco n ILE 33 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 1pco n LEU 34 N -1.04 0.00 -3.12 1.39 7.94 -1.26 -4.89 117.00 116.02 1pco n LEU 34 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 1pco n LEU 34 Cb 0.01 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 1pco n LEU 34 CO 0.00 0.00 0.24 -0.94 -1.11 0.00 0.00 177.39 175.58 1pco s SER 35 N -4.00 -1.18 -0.39 1.96 1.04 -1.26 -5.00 113.70 104.87 1pco s SER 35 Ca 0.00 -0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.37 1pco s SER 35 Cb 0.00 1.66 0.16 0.00 0.10 0.00 0.00 66.02 67.94 1pco s SER 35 CO 0.00 -0.19 0.44 -0.22 0.98 0.00 0.00 173.24 174.25 1pco s LEU 36 N 2.54 -0.31 -0.15 2.42 2.96 -1.26 -5.05 118.68 119.82 1pco s LEU 36 Ca 0.16 -1.53 -0.06 0.00 -0.22 0.00 0.00 54.13 52.49 1pco s LEU 36 Cb -0.05 0.83 -0.04 0.00 0.50 0.00 0.00 46.19 47.43 1pco s LEU 36 CO -0.20 -0.23 0.05 -0.44 -1.32 0.00 0.00 176.35 174.21 1pco s SER 37 N 1.40 5.54 -0.02 3.68 0.01 -1.26 -3.05 113.70 120.00 1pco s SER 37 Ca 0.18 0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.56 1pco s SER 37 Cb -0.12 -1.86 0.02 0.00 0.21 0.00 0.00 66.02 64.26 1pco s SER 37 CO -0.04 0.24 -0.02 -0.60 0.41 0.00 0.00 173.24 173.23 1pco s ARG 38 N -0.01 0.40 0.49 12.44 3.52 -0.59 -2.09 118.95 133.10 1pco s ARG 38 Ca 0.05 -0.03 -0.22 0.00 -0.13 0.00 0.00 55.73 55.39 1pco s ARG 38 Cb -0.12 -0.48 -0.06 0.00 -1.56 0.00 0.00 34.95 32.73 1pco s ARG 38 CO 0.01 -0.04 1.23 0.00 -0.81 0.00 0.00 175.30 175.69 1pco n ALA 40 N -0.69 0.58 -2.68 0.00 0.00 -0.93 -0.37 120.51 116.42 1pco n ALA 40 Ca 0.08 -1.64 -0.41 0.00 0.00 0.00 0.00 53.44 51.47 1pco n ALA 40 Cb 0.47 1.29 -0.04 0.00 0.00 0.00 0.00 19.45 21.17 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 4.21 0.60 0.00 2.96 -1.26 -4.66 118.68 120.53 1pco s LEU 41 Ca 0.30 1.25 -0.20 0.00 -0.22 0.00 0.00 54.13 55.27 1pco s LEU 41 Cb 0.01 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1pco s LEU 41 CO 0.21 -0.36 1.31 -1.59 -1.32 0.00 0.00 176.35 174.60 1pco s LYS 42 N 1.89 2.84 0.57 1.98 -2.85 -1.26 -4.89 119.74 118.02 1pco s LYS 42 Ca 0.40 2.11 -0.18 0.00 -1.00 0.00 0.00 55.97 57.31 1pco s LYS 42 Cb -0.17 -2.03 -0.04 0.00 -2.06 0.00 0.00 37.83 33.53 1pco s LYS 42 CO 0.15 -1.38 1.08 0.00 0.10 0.00 0.00 175.35 175.30 1pco s ALA 43 N -1.38 2.70 0.39 0.59 0.00 -1.26 -4.54 121.76 118.26 1pco s ALA 43 Ca 0.77 0.59 0.08 0.00 0.00 0.00 0.00 51.96 53.40 1pco s ALA 43 Cb -0.38 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.44 1pco s ALA 43 CO 0.42 -0.80 0.40 1.03 0.00 0.00 0.00 175.76 176.82 1pco s ARG 44 N -3.69 2.71 0.29 0.00 3.00 -1.26 -0.96 118.95 119.04 1pco s ARG 44 Ca 0.68 -1.36 -0.28 0.00 0.00 0.00 0.00 55.73 54.77 1pco s ARG 44 Cb -0.19 -2.53 -0.14 0.00 0.00 0.00 0.00 34.95 32.10 1pco s ARG 44 CO 0.32 -0.10 1.11 -1.91 0.00 0.00 0.00 175.30 174.72 1pco n GLU 45 N -1.57 1.57 -2.32 3.54 2.13 -1.26 -2.20 120.64 120.54 1pco n GLU 45 Ca 0.02 0.55 -0.19 0.00 0.66 0.00 0.00 57.16 58.21 1pco n GLU 45 Cb 0.60 -2.00 -0.02 0.00 0.27 0.00 0.00 31.44 30.30 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 1.20 -5.35 -4.23 4.31 0.23 0.01 -4.95 115.26 106.48 1pco n ASN 46 Ca 0.09 0.08 -0.18 0.00 -0.53 0.00 0.00 54.58 54.04 1pco n ASN 46 Cb 0.33 -4.50 -0.11 0.00 -2.08 0.00 0.00 39.78 33.41 1pco n ASN 46 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1pco s SER 47 N -2.10 1.95 0.26 0.53 0.01 -0.93 -4.90 113.70 108.51 1pco s SER 47 Ca 0.00 -0.75 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 1pco s SER 47 Cb 0.00 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 66.07 1pco s SER 47 CO 0.00 -0.11 1.27 -1.83 0.41 0.00 0.00 173.24 172.98 1pco s GLU 48 N -2.37 4.42 0.00 12.44 -1.05 -1.26 -1.09 118.70 129.79 1pco s GLU 48 Ca 0.06 2.07 -0.03 0.00 -0.15 0.00 0.00 54.97 56.92 1pco s GLU 48 Cb -0.07 -3.15 -0.01 0.00 -0.44 0.00 0.00 34.13 30.47 1pco s GLU 48 CO 0.03 -0.15 0.05 0.00 0.95 0.00 0.00 175.26 176.14 1pco s SER 50 N -1.08 6.19 0.00 0.00 0.01 0.34 -2.02 113.70 117.15 1pco s SER 50 Ca -0.12 0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.26 1pco s SER 50 Cb -0.07 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 1pco s SER 50 CO 0.00 -1.69 2.50 0.00 0.41 0.00 0.00 173.24 174.46 1pco n ALA 51 N 9.34 4.73 -3.64 1.44 0.00 -1.26 -4.40 120.51 126.72 1pco n ALA 51 Ca 0.10 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1pco n ALA 51 Cb 0.49 -1.55 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 1pco n ALA 51 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1pco s PHE 52 N 0.51 -0.66 -0.07 0.00 -0.71 -1.26 -4.55 117.98 111.24 1pco s PHE 52 Ca 0.25 1.55 0.03 0.00 -1.04 0.00 0.00 56.93 57.72 1pco s PHE 52 Cb 0.12 0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 42.26 1pco s PHE 52 CO 0.00 -0.32 -0.14 0.95 -1.34 0.00 0.00 175.22 174.37 1pco s THR 53 N 0.54 3.05 0.00 -4.49 -4.23 -1.26 -4.99 115.64 104.26 1pco s THR 53 Ca -0.01 -0.71 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1pco s THR 53 Cb -0.05 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1pco s THR 53 CO -0.06 0.58 0.00 0.00 -0.54 0.00 0.00 174.62 174.60 1pco n LEU 54 N 2.59 0.50 0.00 4.79 -0.00 -1.26 -5.04 117.00 118.57 1pco n LEU 54 Ca -0.17 0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1pco n LEU 54 Cb 0.52 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1pco n LEU 54 CO 0.27 -0.06 0.00 0.00 -0.00 0.00 0.00 177.39 177.59 1pco n TYR 55 N -1.45 0.00 0.00 1.47 9.36 -1.26 -5.13 117.16 120.15 1pco n TYR 55 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1pco n TYR 55 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 0.00 -1.08 3.78 2.98 0.00 -1.26 -4.58 105.19 105.02 1pco n GLY 56 Ca 0.00 0.57 -0.37 0.00 0.00 0.00 0.00 46.02 46.22 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 0.30 4.12 0.03 1.61 1.01 -1.26 -3.57 120.40 122.64 1pco s VAL 57 Ca 0.00 1.79 0.06 0.00 0.00 0.00 0.00 61.98 63.83 1pco s VAL 57 Cb 0.00 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1pco s VAL 57 CO 0.00 0.17 -0.18 -0.31 0.00 0.00 0.00 175.10 174.78 1pco s TYR 58 N -1.56 1.56 0.07 5.22 2.02 -0.59 -4.93 117.35 119.13 1pco s TYR 58 Ca 0.50 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.67 1pco s TYR 58 Cb -0.20 -0.95 -0.12 0.00 -0.40 0.00 0.00 41.96 40.30 1pco s TYR 58 CO 0.26 0.05 1.38 1.88 -1.57 0.00 0.00 175.55 177.55 1pco h TYR 59 N 5.08 0.61 -3.21 2.71 -1.99 -1.88 -1.29 116.97 116.99 1pco h TYR 59 Ca -0.40 -0.18 -0.42 0.00 2.00 0.00 0.00 58.73 59.73 1pco h TYR 59 Cb 1.16 -0.13 -0.40 0.00 2.00 0.00 0.00 36.73 39.37 1pco h TYR 59 CO 0.49 0.85 -0.75 0.15 -0.00 0.00 0.00 178.16 178.90 1pco s LYS 60 N -4.35 0.10 0.48 4.88 -0.14 -1.26 -4.79 119.74 114.65 1pco s LYS 60 Ca -0.13 0.14 -0.22 0.00 -1.36 0.00 0.00 55.97 54.39 1pco s LYS 60 Cb 0.07 -1.13 -0.09 0.00 -1.68 0.00 0.00 37.83 35.00 1pco s LYS 60 CO 0.79 -0.47 0.99 0.00 -0.76 0.00 0.00 175.35 175.90 1pco n PRO 62 N -0.20 3.07 -1.43 0.00 -0.04 -1.26 -3.96 135.00 131.18 1pco n PRO 62 Ca 0.10 -2.34 0.18 0.00 -0.04 0.00 0.00 63.50 61.40 1pco n PRO 62 Cb 0.42 -3.03 -0.08 0.00 -0.04 0.00 0.00 33.50 30.77 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 -3.82 3.63 -0.46 0.00 -1.05 -0.13 -4.45 118.70 112.42 1pco s GLU 64 Ca 0.00 1.49 -0.27 0.00 -0.15 0.00 0.00 54.97 56.04 1pco s GLU 64 Cb 0.00 -2.09 -0.04 0.00 -0.44 0.00 0.00 34.13 31.57 1pco s GLU 64 CO 0.00 -0.60 2.02 0.50 0.95 0.00 0.00 175.26 178.14 1pco s ARG 65 N -3.20 2.75 0.00 -4.83 6.06 -1.26 -1.71 118.95 116.76 1pco s ARG 65 Ca 0.69 1.21 0.00 0.00 -2.50 0.00 0.00 55.73 55.13 1pco s ARG 65 Cb -0.20 -4.38 0.00 0.00 0.06 0.00 0.00 34.95 30.43 1pco s ARG 65 CO 0.24 -2.55 0.00 0.41 -2.50 0.00 0.00 175.30 170.89 1pco n GLY 66 N 5.70 1.62 3.91 8.12 0.00 -1.26 -5.13 105.19 118.15 1pco n GLY 66 Ca 0.26 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 4.27 0.15 0.99 1.02 -0.69 -4.48 118.68 119.94 1pco s LEU 67 Ca 0.00 0.47 0.02 0.00 0.02 0.00 0.00 54.13 54.63 1pco s LEU 67 Cb 0.00 -3.20 -0.04 0.00 0.02 0.00 0.00 46.19 42.97 1pco s LEU 67 CO 0.00 0.04 0.30 0.28 0.02 0.00 0.00 176.35 176.99 1pco s THR 68 N -1.70 5.31 -0.29 5.49 -1.32 0.32 -4.61 115.64 118.83 1pco s THR 68 Ca 0.39 -0.60 -0.17 0.00 -1.21 0.00 0.00 61.69 60.10 1pco s THR 68 Cb -0.12 -3.73 -0.02 0.00 -1.51 0.00 0.00 72.50 67.11 1pco s THR 68 CO 0.27 -0.09 0.47 0.00 -2.21 0.00 0.00 174.62 173.06 1pco s GLU 70 N 2.27 3.08 0.00 0.00 2.56 -0.19 -4.83 118.70 121.59 1pco s GLU 70 Ca 0.19 -1.56 0.00 0.00 0.00 0.00 0.00 54.97 53.60 1pco s GLU 70 Cb -0.16 -4.31 0.00 0.00 2.00 0.00 0.00 34.13 31.66 1pco s GLU 70 CO 0.11 -1.46 0.00 0.41 -0.56 0.00 0.00 175.26 173.76 1pco n GLY 71 N 5.19 -0.72 0.22 -1.50 0.00 -1.26 -2.88 105.19 104.25 1pco n GLY 71 Ca -0.09 -1.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.81 1pco n GLY 71 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pco h ASP 72 N 0.00 0.32 0.00 1.61 5.19 -1.91 -2.90 116.42 118.73 1pco h ASP 72 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1pco h ASP 72 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1pco h ASP 72 CO 0.00 0.21 0.00 0.29 -3.12 0.00 0.00 179.24 176.62 1pco n LYS 73 N -4.93 0.00 -1.93 3.56 5.02 -1.26 -4.20 118.16 114.42 1pco n LYS 73 Ca 0.07 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.34 1pco n LYS 73 Cb 0.20 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.20 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 8.03 -3.71 -4.55 4.39 7.64 0.47 -4.89 113.62 121.00 1pco n SER 74 Ca 0.00 0.91 -0.39 0.00 1.01 0.00 0.00 58.87 60.40 1pco n SER 74 Cb 0.00 -3.38 -0.03 0.00 -1.01 0.00 0.00 64.21 59.79 1pco n SER 74 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pco s LEU 75 N -0.35 3.30 -0.85 -3.43 1.43 -1.26 -4.89 118.68 112.63 1pco s LEU 75 Ca -0.08 0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.19 1pco s LEU 75 Cb 0.01 -2.56 -0.13 0.00 0.03 0.00 0.00 46.19 43.54 1pco s LEU 75 CO 0.22 -2.36 1.97 0.55 0.23 0.00 0.00 176.35 176.95 1pco n VAL 76 N 7.22 2.02 0.00 -1.59 3.14 -1.26 -3.54 118.33 124.33 1pco n VAL 76 Ca 0.21 -1.72 0.00 0.00 -2.96 0.00 0.00 64.34 59.86 1pco n VAL 76 Cb 0.52 -2.34 0.00 0.00 -1.06 0.00 0.00 33.84 30.96 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 4.44 -0.67 3.64 7.55 0.00 -1.26 -5.18 105.19 113.70 1pco n GLY 77 Ca 0.50 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.65 1pco n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pco s SER 78 N 0.00 -0.31 -0.09 1.61 0.01 -1.23 -5.13 113.70 108.55 1pco s SER 78 Ca 0.00 0.59 -0.26 0.00 1.31 0.00 0.00 55.95 57.59 1pco s SER 78 Cb 0.00 0.59 -0.27 0.00 0.21 0.00 0.00 66.02 66.55 1pco s SER 78 CO 0.00 -0.11 0.87 0.16 0.41 0.00 0.00 173.24 174.57 1pco h ILE 79 N 3.35 1.65 0.00 1.44 3.07 -2.00 -3.47 117.51 121.56 1pco h ILE 79 Ca -0.27 -2.31 0.00 0.00 1.55 0.00 0.00 64.86 63.83 1pco h ILE 79 Cb 1.18 3.19 0.00 0.00 -0.27 0.00 0.00 36.82 40.92 1pco h ILE 79 CO 0.14 0.62 0.00 0.35 -1.05 0.00 0.00 178.15 178.21 1pco n THR 80 N -4.44 0.02 -2.74 0.16 -2.24 -1.26 -4.94 114.28 98.83 1pco n THR 80 Ca -0.11 0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1pco n THR 80 Cb 0.59 -0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.46 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 -4.36 6.65 0.00 3.42 2.47 -1.26 -4.89 114.94 116.97 1pco s ASN 81 Ca 0.00 -1.95 0.00 0.00 0.42 0.00 0.00 52.86 51.33 1pco s ASN 81 Cb 0.00 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 1pco s ASN 81 CO 0.00 -1.22 0.00 0.35 -3.72 0.00 0.00 177.10 172.51 1pco n THR 82 N 6.07 0.00 -2.98 -5.21 -2.24 -1.26 -5.05 114.28 103.61 1pco n THR 82 Ca 0.32 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.09 1pco n THR 82 Cb 0.49 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.38 0.36 3.42 2.47 -1.26 -4.71 114.94 112.84 1pco s ASN 83 Ca 0.00 -1.12 0.02 0.00 0.42 0.00 0.00 52.86 52.18 1pco s ASN 83 Cb 0.00 1.78 -0.02 0.00 -1.45 0.00 0.00 41.25 41.56 1pco s ASN 83 CO 0.00 -0.11 0.54 -0.36 -3.72 0.00 0.00 177.10 173.46 1pco s PHE 84 N 1.42 3.36 0.75 0.43 0.08 -1.26 -0.39 117.98 122.36 1pco s PHE 84 Ca 0.22 0.18 -0.15 0.00 0.12 0.00 0.00 56.93 57.30 1pco s PHE 84 Cb -0.01 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1pco s PHE 84 CO -0.07 0.02 0.91 0.41 -0.10 0.00 0.00 175.22 176.39 1pco n GLY 85 N -1.79 -0.63 3.84 4.36 0.00 -0.86 -4.52 105.19 105.59 1pco n GLY 85 Ca -0.03 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.92 5.47 0.01 -0.61 -1.09 -1.14 0.01 121.20 121.93 1pco s ILE 86 Ca 0.71 0.22 -0.30 0.00 -2.23 0.00 0.00 60.65 59.05 1pco s ILE 86 Cb -0.33 -3.43 -0.06 0.00 -1.58 0.00 0.00 42.46 37.06 1pco s ILE 86 CO 0.53 0.57 1.50 0.00 -1.23 0.00 0.00 174.94 176.30 1pco s HIS 88 N 2.72 0.63 -1.00 0.00 3.76 -0.27 -0.81 115.29 120.33 1pco s HIS 88 Ca 0.68 -1.07 -0.14 0.00 -0.15 0.00 0.00 55.06 54.38 1pco s HIS 88 Cb -0.34 -0.37 0.21 0.00 1.11 0.00 0.00 32.58 33.20 1pco s HIS 88 CO 0.28 -0.50 1.07 1.21 -0.85 0.00 0.00 174.74 175.95 1pco s ASN 89 N -2.98 6.95 -0.60 1.40 2.47 -1.26 -0.53 114.94 120.39 1pco s ASN 89 Ca 0.16 -2.86 0.05 0.00 0.42 0.00 0.00 52.86 50.63 1pco s ASN 89 Cb 0.07 -2.29 0.19 0.00 -1.45 0.00 0.00 41.25 37.77 1pco s ASN 89 CO -0.03 -0.63 0.50 0.52 -3.72 0.00 0.00 177.10 173.74 1pco n VAL 90 N 4.06 0.89 -0.06 -5.21 0.31 -1.26 -5.00 118.33 112.06 1pco n VAL 90 Ca 0.23 -4.51 -0.02 0.00 -0.01 0.00 0.00 64.34 60.03 1pco n VAL 90 Cb 0.44 -2.03 -0.01 0.00 -0.91 0.00 0.00 33.84 31.34 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 5.14 0.00 0.00 2.92 0.00 -1.90 -3.42 103.07 105.81 1pco h GLY 91 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1pco h GLY 91 CO 0.63 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 175.04 1pco n ARG 92 N -4.70 0.00 -0.61 4.80 0.63 -1.26 -5.13 116.66 110.39 1pco n ARG 92 Ca -0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 1pco n ARG 92 Cb 0.13 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.02 1pco n ARG 92 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57