#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 2.44 -0.42 1.45 0.02 -1.26 -4.96 135.00 132.27 1pco s PRO 2 Ca 0.00 -0.51 -0.11 0.00 0.02 0.00 0.00 61.00 60.40 1pco s PRO 2 Cb 0.00 -5.10 0.06 0.00 0.02 0.00 0.00 34.50 29.48 1pco s PRO 2 CO 0.00 -3.68 0.28 0.34 -0.33 0.00 0.00 177.00 173.61 1pco s ASP 3 N 7.76 5.81 -1.17 2.53 2.15 -1.26 -5.05 116.67 127.45 1pco s ASP 3 Ca 0.71 -1.29 -0.20 0.00 0.43 0.00 0.00 52.55 52.20 1pco s ASP 3 Cb -0.05 -2.05 0.05 0.00 -0.30 0.00 0.00 42.92 40.56 1pco s ASP 3 CO 0.04 -0.52 1.64 -2.16 -0.17 0.00 0.00 175.17 174.01 1pco s PRO 4 N 1.53 3.70 0.00 4.34 0.04 -1.26 -4.89 135.00 138.46 1pco s PRO 4 Ca 0.03 -1.54 0.12 0.00 0.04 0.00 0.00 61.00 59.65 1pco s PRO 4 Cb -0.22 -5.43 0.54 0.00 0.04 0.00 0.00 34.50 29.42 1pco s PRO 4 CO 0.05 -2.37 1.39 2.89 0.04 0.00 0.00 177.00 178.99 1pco n ARG 5 N 8.61 0.02 -2.68 4.56 -4.01 -1.26 -4.50 116.66 117.40 1pco n ARG 5 Ca 0.42 0.28 -0.04 0.00 -1.04 0.00 0.00 57.85 57.47 1pco n ARG 5 Cb 0.48 -1.50 0.04 0.00 -3.04 0.00 0.00 32.46 28.44 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1pco n GLY 6 N -0.23 -1.58 5.02 2.89 0.00 -1.26 -5.08 105.19 104.96 1pco n GLY 6 Ca 0.03 1.15 0.00 0.00 0.00 0.00 0.00 46.02 47.20 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 2.40 0.00 -0.95 -0.61 2.08 -1.26 -4.90 119.36 116.12 1pco n ILE 7 Ca 0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.41 1pco n ILE 7 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.54 1pco n ILE 7 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1pco n ILE 8 N 0.00 -4.37 -3.37 1.39 5.41 -1.26 -5.06 119.36 112.09 1pco n ILE 8 Ca 0.00 1.30 -0.21 0.00 1.00 0.00 0.00 62.75 64.84 1pco n ILE 8 Cb 0.00 -2.56 -0.00 0.00 -0.71 0.00 0.00 39.64 36.37 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 -1.09 4.26 0.00 1.39 -4.36 -1.26 -4.85 121.20 115.29 1pco s ILE 9 Ca 0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.59 1pco s ILE 9 Cb 0.00 -3.52 0.00 0.00 1.25 0.00 0.00 42.46 40.19 1pco s ILE 9 CO 0.00 -0.26 0.00 0.59 0.24 0.00 0.00 174.94 175.51 1pco n ASN 10 N -1.76 -1.31 -4.27 4.36 3.02 -0.02 -5.03 115.26 110.25 1pco n ASN 10 Ca -0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.31 1pco n ASN 10 Cb 0.58 -0.66 -0.12 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.92 2.29 0.72 3.41 1.43 -1.16 -4.70 118.68 119.77 1pco s LEU 11 Ca 0.00 -0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 52.31 1pco s LEU 11 Cb 0.00 -0.84 0.03 0.00 0.03 0.00 0.00 46.19 45.41 1pco s LEU 11 CO 0.00 0.04 1.11 -1.81 0.23 0.00 0.00 176.35 175.92 1pco s ASP 12 N -1.86 5.27 0.14 2.29 1.11 -1.26 -0.26 116.67 122.09 1pco s ASP 12 Ca 0.05 1.12 -0.30 0.00 0.18 0.00 0.00 52.55 53.60 1pco s ASP 12 Cb -0.10 -1.88 -0.07 0.00 1.07 0.00 0.00 42.92 41.94 1pco s ASP 12 CO 0.04 -1.46 1.24 -1.83 1.18 0.00 0.00 175.17 174.35 1pco s GLU 13 N -5.36 4.43 0.00 8.23 1.03 -1.26 -3.94 118.70 121.83 1pco s GLU 13 Ca 0.59 1.90 0.00 0.00 0.03 0.00 0.00 54.97 57.48 1pco s GLU 13 Cb -0.11 -3.27 0.00 0.00 -0.80 0.00 0.00 34.13 29.95 1pco s GLU 13 CO 0.52 -0.21 0.00 0.41 -1.33 0.00 0.00 175.26 174.64 1pco n GLY 14 N 2.73 1.57 3.22 -3.83 0.00 0.25 -4.92 105.19 104.20 1pco n GLY 14 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.11 0.95 -0.00 1.61 0.41 -1.25 -4.93 118.70 115.37 1pco s GLU 15 Ca 0.00 -1.12 -0.30 0.00 -0.41 0.00 0.00 54.97 53.14 1pco s GLU 15 Cb 0.00 -0.92 -0.05 0.00 -1.78 0.00 0.00 34.13 31.38 1pco s GLU 15 CO 0.00 0.19 1.32 -0.51 -0.49 0.00 0.00 175.26 175.78 1pco s LEU 16 N -2.11 4.31 0.03 1.80 1.43 -1.26 -1.52 118.68 121.36 1pco s LEU 16 Ca 0.04 2.03 0.08 0.00 -1.03 0.00 0.00 54.13 55.26 1pco s LEU 16 Cb -0.07 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1pco s LEU 16 CO 0.03 -0.65 -0.25 0.00 0.23 0.00 0.00 176.35 175.71 1pco n LEU 18 N 1.95 0.60 0.00 0.00 4.77 -1.26 -4.60 117.00 118.46 1pco n LEU 18 Ca -0.17 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1pco n LEU 18 Cb 0.52 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1pco n LEU 18 CO 0.23 -0.39 0.00 0.59 -1.33 0.00 0.00 177.39 176.49 1pco n ASN 19 N -1.68 0.00 0.12 -1.43 3.02 -1.26 -4.61 115.26 109.42 1pco n ASN 19 Ca 0.00 -0.56 0.03 0.00 -0.03 0.00 0.00 54.58 54.02 1pco n ASN 19 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1pco n ASN 19 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1pco h SER 20 N 0.00 0.00 -0.27 6.41 0.87 -1.71 -3.39 113.55 115.47 1pco h SER 20 Ca 0.00 0.00 -0.70 0.00 -1.23 0.00 0.00 61.79 59.86 1pco h SER 20 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1pco h SER 20 CO 0.00 0.47 3.37 0.00 -0.53 0.00 0.00 176.83 180.14 1pco n ALA 21 N -2.25 6.91 0.13 6.23 0.00 -1.26 -3.87 120.51 126.40 1pco n ALA 21 Ca -0.01 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.69 1pco n ALA 21 Cb 0.74 -3.29 0.00 0.00 0.00 0.00 0.00 19.45 16.90 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 3.81 0.00 -2.61 0.00 1.13 -1.26 -4.92 117.38 113.53 1pco n GLN 22 Ca 0.68 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 55.43 1pco n GLN 22 Cb 0.27 -0.06 -0.03 0.00 0.11 0.00 0.00 30.24 30.54 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 1.01 -0.45 -6.21 0.00 1.57 -0.91 -3.35 116.57 108.23 1pco h LYS 24 Ca -0.47 0.03 -0.56 0.00 -1.87 0.00 0.00 60.65 57.78 1pco h LYS 24 Cb 1.19 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.51 1pco h LYS 24 CO 0.63 -0.27 0.91 -1.54 -0.57 0.00 0.00 179.45 178.61 1pco s SER 25 N -4.81 6.24 -1.13 0.86 1.04 -1.26 -4.95 113.70 109.69 1pco s SER 25 Ca -0.15 -0.41 -0.21 0.00 0.48 0.00 0.00 55.95 55.66 1pco s SER 25 Cb 0.04 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.57 1pco s SER 25 CO 0.63 -1.64 1.92 0.59 0.98 0.00 0.00 173.24 175.72 1pco n ASN 26 N 8.74 3.36 -3.20 7.02 4.13 -1.26 -4.68 115.26 129.36 1pco n ASN 26 Ca 0.03 -2.75 -0.24 0.00 1.68 0.00 0.00 54.58 53.30 1pco n ASN 26 Cb 0.48 -1.58 -0.07 0.00 -1.54 0.00 0.00 39.78 37.07 1pco n ASN 26 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pco s GLN 29 N 4.83 3.95 0.46 0.00 -0.44 -0.70 -0.87 119.66 126.88 1pco s GLN 29 Ca 0.52 -0.32 -0.15 0.00 -2.50 0.00 0.00 55.36 52.90 1pco s GLN 29 Cb -0.10 -3.65 -0.08 0.00 -1.64 0.00 0.00 33.01 27.55 1pco s GLN 29 CO 0.30 -0.17 0.90 -1.58 0.50 0.00 0.00 175.29 175.24 1pco s HIS 30 N 1.73 3.43 -2.00 1.67 5.65 -0.05 -1.90 115.29 123.83 1pco s HIS 30 Ca 0.07 1.35 0.05 0.00 0.25 0.00 0.00 55.06 56.78 1pco s HIS 30 Cb -0.16 -2.68 0.29 0.00 -1.18 0.00 0.00 32.58 28.85 1pco s HIS 30 CO 0.11 -0.23 1.04 -0.40 -0.65 0.00 0.00 174.74 174.61 1pco n ASP 31 N -1.28 0.00 -1.74 9.88 5.75 -1.11 -4.85 116.55 123.20 1pco n ASP 31 Ca 0.05 -1.53 -0.01 0.00 -0.01 0.00 0.00 54.79 53.29 1pco n ASP 31 Cb 0.54 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.62 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 -0.59 -4.82 0.00 2.12 -2.24 -1.26 -4.66 114.28 102.82 1pco n THR 32 Ca 0.04 0.54 0.00 0.00 -2.27 0.00 0.00 64.05 62.35 1pco n THR 32 Cb 0.02 -4.29 0.00 0.00 -2.10 0.00 0.00 70.33 63.96 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 0.30 0.00 0.00 2.28 -0.00 -1.26 -4.90 119.36 115.78 1pco n ILE 33 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 1pco n ILE 33 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.74 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 -3.23 1.39 4.32 -1.26 -5.08 117.00 113.14 1pco n LEU 34 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 1pco n LEU 34 Cb 0.00 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.77 1pco n LEU 34 CO 0.00 0.00 0.03 -0.94 -1.22 0.00 0.00 177.39 175.26 1pco s SER 35 N -1.11 -0.83 -0.37 -1.43 1.04 -1.26 -4.96 113.70 104.78 1pco s SER 35 Ca 0.00 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 55.93 1pco s SER 35 Cb 0.00 1.63 0.19 0.00 0.10 0.00 0.00 66.02 67.93 1pco s SER 35 CO 0.00 -0.25 0.65 -0.22 0.98 0.00 0.00 173.24 174.40 1pco s LEU 36 N 2.18 -1.47 -0.27 2.42 0.20 -1.26 -5.04 118.68 115.45 1pco s LEU 36 Ca 0.13 -0.48 -0.05 0.00 0.69 0.00 0.00 54.13 54.42 1pco s LEU 36 Cb -0.09 1.88 0.01 0.00 -0.43 0.00 0.00 46.19 47.56 1pco s LEU 36 CO -0.16 -0.19 0.03 -0.44 -0.29 0.00 0.00 176.35 175.30 1pco s SER 37 N 2.13 4.81 -0.03 3.68 0.01 -1.26 -2.76 113.70 120.28 1pco s SER 37 Ca 0.15 -0.66 0.06 0.00 1.31 0.00 0.00 55.95 56.80 1pco s SER 37 Cb -0.05 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 1pco s SER 37 CO -0.13 -0.14 -0.20 -0.60 0.41 0.00 0.00 173.24 172.59 1pco s ARG 38 N 1.46 1.86 0.38 12.44 3.52 -0.80 -1.43 118.95 136.38 1pco s ARG 38 Ca 0.03 -0.72 -0.27 0.00 -0.13 0.00 0.00 55.73 54.64 1pco s ARG 38 Cb -0.16 -1.68 -0.09 0.00 -1.56 0.00 0.00 34.95 31.45 1pco s ARG 38 CO 0.00 0.36 1.23 0.00 -0.81 0.00 0.00 175.30 176.09 1pco n ALA 40 N 0.34 0.45 -1.98 0.00 0.00 -0.85 -0.59 120.51 117.89 1pco n ALA 40 Ca 0.03 -1.41 -0.29 0.00 0.00 0.00 0.00 53.44 51.76 1pco n ALA 40 Cb 0.44 1.04 0.02 0.00 0.00 0.00 0.00 19.45 20.96 1pco n ALA 40 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1pco s LEU 41 N 0.00 3.22 0.51 0.00 0.05 -1.26 -4.73 118.68 116.47 1pco s LEU 41 Ca 0.21 1.15 -0.18 0.00 0.05 0.00 0.00 54.13 55.36 1pco s LEU 41 Cb 0.01 -4.08 -0.08 0.00 -2.05 0.00 0.00 46.19 39.99 1pco s LEU 41 CO 0.15 -0.97 1.00 -0.54 -0.55 0.00 0.00 176.35 175.44 1pco s LYS 42 N -5.12 3.84 0.65 1.48 1.02 -1.26 -4.80 119.74 115.55 1pco s LYS 42 Ca 0.54 1.10 -0.12 0.00 0.02 0.00 0.00 55.97 57.52 1pco s LYS 42 Cb -0.11 -2.12 -0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1pco s LYS 42 CO 0.50 -0.37 1.05 0.00 -0.92 0.00 0.00 175.35 175.61 1pco s ALA 43 N -2.41 2.83 0.32 5.17 0.00 -0.24 -4.61 121.76 122.82 1pco s ALA 43 Ca 0.62 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1pco s ALA 43 Cb -0.12 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.78 1pco s ALA 43 CO 0.27 -0.96 0.01 1.03 0.00 0.00 0.00 175.76 176.12 1pco s ARG 44 N -4.90 1.64 0.15 0.00 0.52 -1.26 -1.80 118.95 113.30 1pco s ARG 44 Ca 0.58 -1.89 -0.33 0.00 -0.52 0.00 0.00 55.73 53.57 1pco s ARG 44 Cb -0.13 -1.04 -0.17 0.00 0.52 0.00 0.00 34.95 34.13 1pco s ARG 44 CO 0.51 -0.10 0.97 -1.91 0.02 0.00 0.00 175.30 174.79 1pco n GLU 45 N -0.67 0.62 -1.15 3.54 2.13 -1.26 -2.24 120.64 121.61 1pco n GLU 45 Ca -0.04 0.22 -0.05 0.00 0.66 0.00 0.00 57.16 57.95 1pco n GLU 45 Cb 0.65 -1.58 -0.02 0.00 0.27 0.00 0.00 31.44 30.76 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 1.84 -4.70 -4.43 4.31 0.23 -0.15 -4.98 115.26 107.39 1pco n ASN 46 Ca 0.17 0.13 -0.30 0.00 -0.53 0.00 0.00 54.58 54.04 1pco n ASN 46 Cb 0.21 -2.66 -0.13 0.00 -2.08 0.00 0.00 39.78 35.13 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 -2.35 3.63 0.37 0.53 0.15 -0.95 -4.90 113.70 110.19 1pco s SER 47 Ca 0.00 -0.52 -0.28 0.00 0.70 0.00 0.00 55.95 55.85 1pco s SER 47 Cb 0.00 -0.49 -0.11 0.00 -1.71 0.00 0.00 66.02 63.71 1pco s SER 47 CO 0.00 0.24 1.50 -1.83 1.20 0.00 0.00 173.24 174.35 1pco s GLU 48 N -1.58 4.10 0.02 5.44 1.03 -1.26 -0.33 118.70 126.11 1pco s GLU 48 Ca 0.14 2.59 -0.03 0.00 0.03 0.00 0.00 54.97 57.71 1pco s GLU 48 Cb -0.10 -2.97 -0.01 0.00 -0.80 0.00 0.00 34.13 30.25 1pco s GLU 48 CO 0.05 -0.56 0.04 0.00 -1.33 0.00 0.00 175.26 173.46 1pco s SER 50 N -1.54 6.60 0.06 0.00 0.15 -1.11 -2.80 113.70 115.06 1pco s SER 50 Ca -0.14 0.44 -0.17 0.00 0.70 0.00 0.00 55.95 56.78 1pco s SER 50 Cb -0.08 -2.55 -0.15 0.00 -1.71 0.00 0.00 66.02 61.53 1pco s SER 50 CO -0.01 -1.29 1.30 0.00 1.20 0.00 0.00 173.24 174.44 1pco h ALA 51 N 9.32 0.27 -3.16 5.45 0.00 -1.92 -3.40 119.26 125.82 1pco h ALA 51 Ca -0.23 -0.46 -0.66 0.00 0.00 0.00 0.00 54.91 53.56 1pco h ALA 51 Cb 1.06 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1pco h ALA 51 CO 1.13 0.38 -0.59 -0.59 0.00 0.00 0.00 179.25 179.58 1pco s PHE 52 N -3.93 3.24 -0.02 0.00 -0.71 -1.26 -5.00 117.98 110.29 1pco s PHE 52 Ca -0.13 0.19 0.05 0.00 -1.04 0.00 0.00 56.93 56.00 1pco s PHE 52 Cb 0.06 -1.73 -0.01 0.00 -1.21 0.00 0.00 43.02 40.13 1pco s PHE 52 CO 0.82 0.53 -0.17 0.95 -1.34 0.00 0.00 175.22 176.01 1pco s THR 53 N -1.14 1.35 0.00 -4.49 -4.23 -1.26 -5.07 115.64 100.79 1pco s THR 53 Ca 0.21 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1pco s THR 53 Cb -0.12 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.59 1pco s THR 53 CO 0.12 0.38 0.00 0.00 -0.54 0.00 0.00 174.62 174.58 1pco n LEU 54 N 2.76 0.00 -3.62 4.79 -0.00 -1.26 -5.03 117.00 114.64 1pco n LEU 54 Ca -0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.46 1pco n LEU 54 Cb 0.54 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.97 1pco n LEU 54 CO 0.24 -0.46 1.17 -1.22 -0.00 0.00 0.00 177.39 177.12 1pco n TYR 55 N -1.00 2.84 -3.83 1.47 4.01 -1.26 -4.87 117.16 114.53 1pco n TYR 55 Ca 0.00 -2.80 -0.07 0.00 -0.16 0.00 0.00 57.90 54.87 1pco n TYR 55 Cb 0.00 -1.10 0.02 0.00 -0.31 0.00 0.00 39.34 37.95 1pco n TYR 55 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1pco s GLY 56 N -1.75 0.22 0.27 2.72 0.00 -1.26 -4.06 107.32 103.46 1pco s GLY 56 Ca 0.39 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 1pco s GLY 56 CO -0.08 0.46 0.99 0.14 0.00 0.00 0.00 173.10 174.61 1pco s VAL 57 N -2.49 3.93 -0.11 1.40 1.01 -1.26 -3.94 120.40 118.93 1pco s VAL 57 Ca 0.16 1.86 -0.03 0.00 0.00 0.00 0.00 61.98 63.98 1pco s VAL 57 Cb -0.04 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1pco s VAL 57 CO 0.09 0.38 -0.01 -0.31 0.00 0.00 0.00 175.10 175.25 1pco s TYR 58 N -1.27 3.11 0.20 5.22 2.02 -0.05 -4.90 117.35 121.67 1pco s TYR 58 Ca 0.44 0.04 0.36 0.00 -0.37 0.00 0.00 57.07 57.54 1pco s TYR 58 Cb -0.26 -1.85 1.56 0.00 -0.40 0.00 0.00 41.96 41.01 1pco s TYR 58 CO 0.33 0.30 2.05 1.88 -1.57 0.00 0.00 175.55 178.54 1pco h TYR 59 N 5.70 0.00 -0.98 2.71 -1.99 -1.88 -0.09 116.97 120.43 1pco h TYR 59 Ca -0.44 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.41 1pco h TYR 59 Cb 1.19 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 39.71 1pco h TYR 59 CO 0.59 0.00 -0.13 -1.59 -0.00 0.00 0.00 178.16 177.03 1pco s LYS 60 N -3.75 0.47 0.80 4.88 0.00 -1.26 -4.81 119.74 116.06 1pco s LYS 60 Ca 0.00 0.90 -0.14 0.00 0.00 0.00 0.00 55.97 56.73 1pco s LYS 60 Cb 0.10 0.51 0.06 0.00 0.00 0.00 0.00 37.83 38.50 1pco s LYS 60 CO 0.52 -0.44 1.10 0.00 0.00 0.00 0.00 175.35 176.53 1pco s PRO 62 N -3.90 -0.31 0.50 0.00 0.04 -1.26 -3.49 135.00 126.58 1pco s PRO 62 Ca 0.72 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 1pco s PRO 62 Cb -0.30 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 1pco s PRO 62 CO 0.52 -3.30 1.06 0.00 0.04 0.00 0.00 177.00 175.31 1pco n GLU 64 N -1.08 -1.88 -1.60 0.00 -0.00 -0.74 -4.76 120.64 110.57 1pco n GLU 64 Ca 0.10 -1.12 -0.46 0.00 -0.00 0.00 0.00 57.16 55.68 1pco n GLU 64 Cb 0.52 -0.95 -0.04 0.00 -0.00 0.00 0.00 31.44 30.97 1pco n GLU 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1pco n ARG 65 N -3.30 1.95 -0.96 3.44 0.00 -1.26 -2.15 116.66 114.38 1pco n ARG 65 Ca 0.09 0.63 0.00 0.00 -0.00 0.00 0.00 57.85 58.57 1pco n ARG 65 Cb 0.36 -2.86 0.00 0.00 0.00 0.00 0.00 32.46 29.96 1pco n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pco n GLY 66 N 5.37 0.46 2.96 5.14 0.00 -1.26 -4.95 105.19 112.90 1pco n GLY 66 Ca 0.29 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 1pco n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pco s LEU 67 N 0.00 1.58 0.24 0.99 0.20 -0.91 -4.30 118.68 116.48 1pco s LEU 67 Ca 0.00 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.67 1pco s LEU 67 Cb 0.00 -0.54 -0.03 0.00 -0.43 0.00 0.00 46.19 45.19 1pco s LEU 67 CO 0.00 0.01 0.40 0.28 -0.29 0.00 0.00 176.35 176.75 1pco s THR 68 N 0.56 5.22 -0.40 3.68 -1.32 0.03 -4.30 115.64 119.10 1pco s THR 68 Ca -0.09 -0.69 -0.18 0.00 -1.21 0.00 0.00 61.69 59.52 1pco s THR 68 Cb -0.12 -3.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.07 1pco s THR 68 CO 0.01 -0.31 0.51 0.00 -2.21 0.00 0.00 174.62 172.62 1pco s GLU 70 N 2.40 3.05 -1.10 0.00 2.56 0.24 -4.86 118.70 120.99 1pco s GLU 70 Ca 0.17 -1.11 -0.21 0.00 0.00 0.00 0.00 54.97 53.82 1pco s GLU 70 Cb -0.16 -4.11 -0.08 0.00 2.00 0.00 0.00 34.13 31.78 1pco s GLU 70 CO 0.15 -1.12 1.92 0.41 -0.56 0.00 0.00 175.26 176.06 1pco n GLY 71 N 5.19 1.83 0.00 -1.50 0.00 -1.26 -1.19 105.19 108.25 1pco n GLY 71 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 11.23 3.33 -4.43 1.61 9.92 -1.26 -4.95 116.55 132.00 1pco n ASP 72 Ca 0.47 0.00 -0.44 0.00 -0.53 0.00 0.00 54.79 54.29 1pco n ASP 72 Cb 0.44 0.10 -0.01 0.00 -0.64 0.00 0.00 41.12 41.02 1pco n ASP 72 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1pco s LYS 73 N -1.78 4.02 -1.01 -1.24 1.02 -1.23 -4.90 119.74 114.62 1pco s LYS 73 Ca 0.00 -2.58 -0.02 0.00 0.02 0.00 0.00 55.97 53.39 1pco s LYS 73 Cb 0.00 -4.92 0.31 0.00 -0.52 0.00 0.00 37.83 32.71 1pco s LYS 73 CO 0.00 -1.64 1.54 -1.13 -0.92 0.00 0.00 175.35 173.20 1pco n SER 74 N 5.13 6.52 -4.43 2.83 3.41 -1.26 -3.69 113.62 122.13 1pco n SER 74 Ca 0.31 -3.54 -0.44 0.00 -0.26 0.00 0.00 58.87 54.94 1pco n SER 74 Cb 0.43 -1.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 1pco n SER 74 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pco s LEU 75 N -3.39 5.31 0.44 1.04 2.96 -0.53 -4.86 118.68 119.65 1pco s LEU 75 Ca 0.35 -2.11 0.17 0.00 -0.22 0.00 0.00 54.13 52.33 1pco s LEU 75 Cb 0.12 -2.37 1.10 0.00 0.50 0.00 0.00 46.19 45.54 1pco s LEU 75 CO 0.00 -1.00 1.91 1.62 -1.32 0.00 0.00 176.35 177.57 1pco h VAL 76 N 5.67 0.76 -1.17 1.68 3.04 -1.86 -3.32 116.25 121.06 1pco h VAL 76 Ca 0.13 -0.13 -0.73 0.00 -1.01 0.00 0.00 66.70 64.96 1pco h VAL 76 Cb 1.03 0.36 -0.12 0.00 -2.01 0.00 0.00 31.29 30.55 1pco h VAL 76 CO 1.05 0.07 2.15 0.61 -1.01 0.00 0.00 177.57 180.44 1pco n GLY 77 N -1.54 3.97 3.39 3.17 0.00 -1.26 -4.90 105.19 108.02 1pco n GLY 77 Ca 0.15 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 2.46 -0.02 0.00 1.61 0.15 -1.25 -5.10 113.70 111.55 1pco s SER 78 Ca 0.45 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1pco s SER 78 Cb 0.07 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1pco s SER 78 CO -0.00 -0.95 0.11 2.30 1.20 0.00 0.00 173.24 175.90 1pco n ILE 79 N -0.26 0.00 -2.62 6.45 -6.64 -1.26 -4.80 119.36 110.23 1pco n ILE 79 Ca -0.07 0.32 -0.09 0.00 -1.77 0.00 0.00 62.75 61.14 1pco n ILE 79 Cb 0.63 -0.74 0.03 0.00 -1.44 0.00 0.00 39.64 38.12 1pco n ILE 79 CO 0.00 0.00 0.00 1.07 -1.77 0.00 0.00 176.55 175.85 1pco n THR 80 N -0.94 1.52 -3.07 7.28 5.66 -1.26 -4.77 114.28 118.70 1pco n THR 80 Ca 0.00 -3.37 -0.19 0.00 -3.05 0.00 0.00 64.05 57.43 1pco n THR 80 Cb 0.00 0.47 -0.03 0.00 -1.55 0.00 0.00 70.33 69.22 1pco n THR 80 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1pco n ASN 81 N -0.46 -0.61 0.00 1.09 5.15 -1.26 -4.87 115.26 114.29 1pco n ASN 81 Ca 0.17 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 51.25 1pco n ASN 81 Cb 0.82 0.05 0.00 0.00 -0.53 0.00 0.00 39.78 40.12 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 1.36 0.00 -3.26 -0.44 -2.24 -1.26 -4.47 114.28 103.97 1pco n THR 82 Ca 0.18 0.04 -0.26 0.00 -2.27 0.00 0.00 64.05 61.74 1pco n THR 82 Cb 0.57 -1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 1pco n THR 82 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pco n ASN 83 N -1.58 3.19 -3.75 3.42 5.03 -1.26 -1.45 115.26 118.86 1pco n ASN 83 Ca 0.00 -3.36 -0.24 0.00 0.87 0.00 0.00 54.58 51.85 1pco n ASN 83 Cb 0.00 -0.64 -0.08 0.00 -1.02 0.00 0.00 39.78 38.05 1pco n ASN 83 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1pco s PHE 84 N -2.52 1.78 0.41 3.10 0.08 -1.24 -4.97 117.98 114.63 1pco s PHE 84 Ca 0.41 -1.48 0.08 0.00 0.12 0.00 0.00 56.93 56.06 1pco s PHE 84 Cb 0.20 -0.98 -0.00 0.00 -0.57 0.00 0.00 43.02 41.66 1pco s PHE 84 CO -0.06 -0.56 0.49 0.20 -0.10 0.00 0.00 175.22 175.19 1pco s GLY 85 N -3.54 1.99 -0.10 4.36 0.00 -1.12 -3.53 107.32 105.37 1pco s GLY 85 Ca 0.29 -1.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.27 1pco s GLY 85 CO 0.20 -1.55 -0.07 -0.42 0.00 0.00 0.00 173.10 171.26 1pco s ILE 86 N -2.38 3.67 0.20 0.90 -1.09 -0.34 -0.76 121.20 121.40 1pco s ILE 86 Ca 0.52 -0.47 -0.31 0.00 -2.23 0.00 0.00 60.65 58.16 1pco s ILE 86 Cb -0.08 -2.54 -0.11 0.00 -1.58 0.00 0.00 42.46 38.16 1pco s ILE 86 CO 0.31 0.56 1.59 0.00 -1.23 0.00 0.00 174.94 176.16 1pco s HIS 88 N 0.90 0.01 -0.17 0.00 3.76 0.01 -0.97 115.29 118.83 1pco s HIS 88 Ca 0.69 -0.05 -0.13 0.00 -0.15 0.00 0.00 55.06 55.42 1pco s HIS 88 Cb -0.45 -0.03 -0.05 0.00 1.11 0.00 0.00 32.58 33.16 1pco s HIS 88 CO 0.34 -0.25 0.26 1.21 -0.85 0.00 0.00 174.74 175.45 1pco s ASN 89 N -1.14 6.39 -0.16 1.40 3.84 -1.26 -0.79 114.94 123.22 1pco s ASN 89 Ca -0.12 0.46 -0.13 0.00 0.21 0.00 0.00 52.86 53.28 1pco s ASN 89 Cb -0.07 -2.16 -0.05 0.00 -0.55 0.00 0.00 41.25 38.42 1pco s ASN 89 CO 0.01 0.12 -0.21 0.52 -2.79 0.00 0.00 177.10 174.75 1pco n VAL 90 N 3.55 1.45 -3.06 -5.21 0.31 -1.26 -4.87 118.33 109.24 1pco n VAL 90 Ca -0.13 0.16 -0.16 0.00 -0.01 0.00 0.00 64.34 64.20 1pco n VAL 90 Cb 0.52 -2.34 -0.00 0.00 -0.91 0.00 0.00 33.84 31.10 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 1.55 2.62 5.15 2.92 0.00 -1.26 -5.07 105.19 111.10 1pco n GLY 91 Ca -0.12 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 0.53 0.00 0.00 1.61 0.63 -1.26 -5.16 116.66 113.01 1pco n ARG 92 Ca 0.19 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.27 1pco n ARG 92 Cb 0.65 0.00 0.58 0.00 0.45 0.00 0.00 32.46 34.14 1pco n ARG 92 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57