#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 4.03 -3.62 5.55 -0.04 -1.26 -4.82 135.00 134.83 1pco n PRO 2 Ca 0.00 -2.72 -0.04 0.00 -0.04 0.00 0.00 63.50 60.71 1pco n PRO 2 Cb 0.00 -2.69 -0.06 0.00 -0.04 0.00 0.00 33.50 30.71 1pco n PRO 2 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1pco s ASP 3 N 1.36 -0.89 -1.36 3.54 -4.77 -1.26 -5.10 116.67 108.18 1pco s ASP 3 Ca 0.63 1.35 -0.16 0.00 -3.30 0.00 0.00 52.55 51.06 1pco s ASP 3 Cb 0.19 1.63 0.06 0.00 -1.09 0.00 0.00 42.92 43.72 1pco s ASP 3 CO -0.08 -0.20 1.91 -0.81 0.70 0.00 0.00 175.17 176.69 1pco n PRO 4 N 4.58 3.08 -3.59 2.11 -0.04 -1.26 -4.86 135.00 135.03 1pco n PRO 4 Ca -0.17 -3.05 -0.29 0.00 -0.04 0.00 0.00 63.50 59.95 1pco n PRO 4 Cb 0.55 -3.41 -0.13 0.00 -0.04 0.00 0.00 33.50 30.48 1pco n PRO 4 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1pco s ARG 5 N 3.76 0.84 0.01 0.54 3.52 -1.26 -5.03 118.95 121.33 1pco s ARG 5 Ca 0.51 -1.52 -0.25 0.00 -0.13 0.00 0.00 55.73 54.34 1pco s ARG 5 Cb 0.08 -1.78 -0.18 0.00 -1.56 0.00 0.00 34.95 31.51 1pco s ARG 5 CO 0.02 -1.16 1.34 0.78 -0.81 0.00 0.00 175.30 175.47 1pco h GLY 6 N 7.10 -0.18 -5.74 8.12 0.00 -2.05 -3.47 103.07 106.86 1pco h GLY 6 Ca -0.00 0.07 -0.28 0.00 0.00 0.00 0.00 47.33 47.11 1pco h GLY 6 CO 0.38 -0.06 -0.40 4.51 0.00 0.00 0.00 176.54 180.97 1pco n ILE 7 N -5.01 -0.19 -3.33 2.60 0.13 -1.26 -4.94 119.36 107.35 1pco n ILE 7 Ca -0.09 0.00 -0.41 0.00 -1.10 0.00 0.00 62.75 61.16 1pco n ILE 7 Cb 0.22 -0.54 -0.09 0.00 -0.84 0.00 0.00 39.64 38.38 1pco n ILE 7 CO 0.00 0.00 0.00 -0.51 2.80 0.00 0.00 176.55 178.84 1pco s ILE 8 N -2.59 5.11 0.00 9.51 2.07 -1.26 -5.01 121.20 129.03 1pco s ILE 8 Ca 0.34 0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.88 1pco s ILE 8 Cb -0.19 -3.85 0.00 0.00 0.13 0.00 0.00 42.46 38.55 1pco s ILE 8 CO 0.42 -0.08 0.00 2.30 -1.91 0.00 0.00 174.94 175.67 1pco n ILE 9 N 5.28 0.00 -3.63 2.00 -5.35 -1.26 -5.05 119.36 111.35 1pco n ILE 9 Ca -0.07 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.19 1pco n ILE 9 Cb 0.49 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 38.44 1pco n ILE 9 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1pco n ASN 10 N 0.00 -2.67 -4.64 7.28 6.94 -1.14 -4.96 115.26 116.08 1pco n ASN 10 Ca 0.00 -0.84 -0.37 0.00 -0.02 0.00 0.00 54.58 53.35 1pco n ASN 10 Cb 0.00 -4.12 -0.10 0.00 -2.36 0.00 0.00 39.78 33.20 1pco n ASN 10 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1pco s LEU 11 N -6.45 4.08 0.72 -4.53 1.02 -0.67 -4.89 118.68 107.95 1pco s LEU 11 Ca 0.15 0.13 -0.07 0.00 0.02 0.00 0.00 54.13 54.36 1pco s LEU 11 Cb -0.04 -2.18 0.06 0.00 0.02 0.00 0.00 46.19 44.05 1pco s LEU 11 CO 0.81 -0.01 1.03 -1.81 0.02 0.00 0.00 176.35 176.39 1pco s ASP 12 N 1.32 4.79 0.10 2.29 1.11 -1.26 -2.27 116.67 122.75 1pco s ASP 12 Ca 0.09 0.50 -0.31 0.00 0.18 0.00 0.00 52.55 53.01 1pco s ASP 12 Cb -0.15 -1.13 -0.10 0.00 1.07 0.00 0.00 42.92 42.61 1pco s ASP 12 CO 0.07 -1.63 1.88 1.21 1.18 0.00 0.00 175.17 177.89 1pco n GLU 13 N -2.96 2.82 0.00 8.23 0.00 -1.26 -2.74 120.64 124.73 1pco n GLU 13 Ca 0.08 1.03 0.00 0.00 0.00 0.00 0.00 57.16 58.27 1pco n GLU 13 Cb 0.60 -2.95 0.00 0.00 0.00 0.00 0.00 31.44 29.10 1pco n GLU 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pco n GLY 14 N 4.34 0.81 3.81 8.31 0.00 -0.65 -4.95 105.19 116.87 1pco n GLY 14 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.44 3.80 -0.00 1.61 0.41 -1.11 -4.79 118.70 118.18 1pco s GLU 15 Ca 0.00 -0.09 -0.30 0.00 -0.41 0.00 0.00 54.97 54.16 1pco s GLU 15 Cb 0.00 -3.29 -0.04 0.00 -1.78 0.00 0.00 34.13 29.02 1pco s GLU 15 CO 0.00 0.56 1.15 -1.17 -0.49 0.00 0.00 175.26 175.31 1pco s LEU 16 N -0.43 4.33 0.00 1.80 0.20 -1.26 -1.36 118.68 121.96 1pco s LEU 16 Ca 0.14 1.85 0.00 0.00 0.69 0.00 0.00 54.13 56.81 1pco s LEU 16 Cb -0.12 -3.57 -0.00 0.00 -0.43 0.00 0.00 46.19 42.07 1pco s LEU 16 CO 0.03 -0.47 0.00 0.00 -0.29 0.00 0.00 176.35 175.62 1pco n LEU 18 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.72 117.00 115.79 1pco n LEU 18 Ca -0.04 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.77 1pco n LEU 18 Cb 0.12 -0.08 0.09 0.00 -2.33 0.00 0.00 43.42 41.22 1pco n LEU 18 CO 0.06 -0.20 0.41 -0.46 -1.33 0.00 0.00 177.39 175.87 1pco n ASN 19 N -1.73 1.19 0.12 -1.43 0.23 -1.26 -4.77 115.26 107.62 1pco n ASN 19 Ca 0.00 -1.96 0.12 0.00 -0.53 0.00 0.00 54.58 52.21 1pco n ASN 19 Cb 0.00 -0.48 0.17 0.00 -2.08 0.00 0.00 39.78 37.39 1pco n ASN 19 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1pco h SER 20 N -0.36 0.00 0.00 0.53 0.02 -1.31 -3.35 113.55 109.07 1pco h SER 20 Ca -0.25 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1pco h SER 20 Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1pco h SER 20 CO 0.29 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 1pco n ALA 21 N -1.99 2.25 -0.06 3.77 0.00 -1.26 -3.15 120.51 120.07 1pco n ALA 21 Ca 0.03 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.23 1pco n ALA 21 Cb 0.49 -1.10 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.63 0.70 -2.46 0.00 6.02 -1.26 -4.86 117.38 114.91 1pco n GLN 22 Ca 0.04 0.23 -0.43 0.00 -0.01 0.00 0.00 57.00 56.84 1pco n GLN 22 Cb 0.02 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 29.63 1pco n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pco n LYS 24 N 6.97 0.88 0.00 0.00 5.02 -0.96 -3.97 118.16 126.10 1pco n LYS 24 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1pco n LYS 24 Cb 0.46 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 1pco n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1pco n SER 25 N -0.52 0.00 -0.50 4.39 3.41 -1.26 -5.03 113.62 114.11 1pco n SER 25 Ca 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.60 1pco n SER 25 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 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 -0.09 -0.25 -3.61 4.04 2.85 -1.26 -5.07 115.26 111.88 1pco n ASN 26 Ca 0.00 -0.67 -0.01 0.00 -0.11 0.00 0.00 54.58 53.79 1pco n ASN 26 Cb 0.00 0.07 -0.04 0.00 1.24 0.00 0.00 39.78 41.05 1pco n ASN 26 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pco s GLN 29 N 1.68 3.67 -0.36 0.00 -1.52 -0.44 -1.02 119.66 121.67 1pco s GLN 29 Ca 0.07 -0.10 -0.26 0.00 -1.95 0.00 0.00 55.36 53.12 1pco s GLN 29 Cb -0.15 -3.79 0.01 0.00 -0.22 0.00 0.00 33.01 28.86 1pco s GLN 29 CO 0.07 -0.62 0.92 -1.58 -0.25 0.00 0.00 175.29 173.83 1pco s HIS 30 N 2.41 3.09 -1.00 0.91 5.65 -0.29 -2.12 115.29 123.94 1pco s HIS 30 Ca 0.19 0.79 -0.22 0.00 0.25 0.00 0.00 55.06 56.08 1pco s HIS 30 Cb -0.15 -3.62 0.07 0.00 -1.18 0.00 0.00 32.58 27.70 1pco s HIS 30 CO 0.13 -0.81 1.36 0.16 -0.65 0.00 0.00 174.74 174.94 1pco s ASP 31 N 1.85 6.55 0.34 9.88 1.47 -1.18 -4.55 116.67 131.02 1pco s ASP 31 Ca 0.38 -1.65 0.00 0.00 1.18 0.00 0.00 52.55 52.46 1pco s ASP 31 Cb -0.12 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 39.94 1pco s ASP 31 CO 0.18 -1.37 0.00 1.07 0.68 0.00 0.00 175.17 175.73 1pco n THR 32 N 6.47 0.00 0.17 2.11 5.66 -1.26 -3.96 114.28 123.46 1pco n THR 32 Ca 0.31 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.45 1pco n THR 32 Cb 0.50 -0.22 0.71 0.00 -1.55 0.00 0.00 70.33 69.78 1pco n THR 32 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 1pco h ILE 33 N -0.60 0.77 -0.15 1.09 1.08 -1.92 -3.12 117.51 114.66 1pco h ILE 33 Ca 0.01 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 1pco h ILE 33 Cb 0.59 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 1pco h ILE 33 CO 0.00 0.00 0.43 -0.07 -0.69 0.00 0.00 178.15 177.83 1pco h LEU 34 N 0.00 0.00 0.00 1.44 3.38 -2.01 -3.48 115.31 114.64 1pco h LEU 34 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pco h LEU 34 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pco h LEU 34 CO -0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1pco n SER 35 N -3.12 0.00 -3.42 -0.43 3.41 -1.18 -5.07 113.62 103.81 1pco n SER 35 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.36 1pco n SER 35 Cb 0.53 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.50 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 -3.71 -4.45 1.04 7.94 -1.26 -3.13 117.00 113.43 1pco n LEU 36 Ca 0.00 -0.22 -0.43 0.00 -1.11 0.00 0.00 56.01 54.25 1pco n LEU 36 Cb 0.00 -2.08 -0.08 0.00 0.53 0.00 0.00 43.42 41.78 1pco n LEU 36 CO 0.00 -0.44 0.07 -0.44 -1.11 0.00 0.00 177.39 175.47 1pco s SER 37 N -2.15 6.16 -0.06 1.96 0.01 -1.26 -3.78 113.70 114.58 1pco s SER 37 Ca 0.24 -0.93 0.05 0.00 1.31 0.00 0.00 55.95 56.62 1pco s SER 37 Cb -0.03 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.98 1pco s SER 37 CO 0.85 -0.60 -0.22 -0.60 0.41 0.00 0.00 173.24 173.08 1pco s ARG 38 N 1.95 2.55 0.73 12.44 3.52 -0.90 -1.22 118.95 138.01 1pco s ARG 38 Ca 0.08 -0.84 -0.15 0.00 -0.13 0.00 0.00 55.73 54.69 1pco s ARG 38 Cb -0.20 -2.23 0.04 0.00 -1.56 0.00 0.00 34.95 31.00 1pco s ARG 38 CO 0.11 0.45 1.20 0.00 -0.81 0.00 0.00 175.30 176.24 1pco n ALA 40 N -2.71 0.43 -2.55 0.00 0.00 -0.80 -1.63 120.51 113.25 1pco n ALA 40 Ca 0.13 -1.16 -0.27 0.00 0.00 0.00 0.00 53.44 52.14 1pco n ALA 40 Cb 0.50 0.94 -0.08 0.00 0.00 0.00 0.00 19.45 20.81 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 2.87 0.49 0.00 2.96 -1.26 -4.47 118.68 119.27 1pco s LEU 41 Ca 0.24 -1.29 -0.23 0.00 -0.22 0.00 0.00 54.13 52.63 1pco s LEU 41 Cb 0.01 -1.11 -0.08 0.00 0.50 0.00 0.00 46.19 45.52 1pco s LEU 41 CO 0.17 -0.59 1.17 0.29 -1.32 0.00 0.00 176.35 176.06 1pco n LYS 42 N -1.18 1.52 -2.66 1.98 4.76 -1.26 -4.80 118.16 116.52 1pco n LYS 42 Ca -0.05 0.55 -0.34 0.00 -2.87 0.00 0.00 58.31 55.60 1pco n LYS 42 Cb 0.66 -2.31 -0.05 0.00 -1.84 0.00 0.00 35.03 31.48 1pco n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pco s ALA 43 N -1.31 2.96 0.40 7.82 0.00 -0.64 -4.70 121.76 126.30 1pco s ALA 43 Ca 0.67 0.53 0.08 0.00 0.00 0.00 0.00 51.96 53.24 1pco s ALA 43 Cb -0.47 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1pco s ALA 43 CO 0.53 -0.12 0.34 1.03 0.00 0.00 0.00 175.76 177.54 1pco s ARG 44 N -3.14 2.52 -0.02 0.00 0.52 -1.26 -2.64 118.95 114.93 1pco s ARG 44 Ca 0.64 -1.54 -0.36 0.00 -0.52 0.00 0.00 55.73 53.95 1pco s ARG 44 Cb -0.14 -2.34 -0.15 0.00 0.52 0.00 0.00 34.95 32.84 1pco s ARG 44 CO 0.18 -0.14 1.61 -1.91 0.02 0.00 0.00 175.30 175.05 1pco n GLU 45 N -1.48 1.59 -0.99 3.54 2.13 -1.26 -1.30 120.64 122.87 1pco n GLU 45 Ca 0.02 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.42 1pco n GLU 45 Cb 0.62 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 30.03 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 4.28 -2.58 -4.89 4.31 3.02 -0.17 -4.99 115.26 114.24 1pco n ASN 46 Ca 0.21 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.52 1pco n ASN 46 Cb 0.22 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.65 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 -2.20 5.99 -0.52 6.41 0.15 -0.42 -4.85 113.70 118.27 1pco s SER 47 Ca 0.00 -0.01 -0.28 0.00 0.70 0.00 0.00 55.95 56.36 1pco s SER 47 Cb 0.00 -1.69 0.02 0.00 -1.71 0.00 0.00 66.02 62.64 1pco s SER 47 CO 0.00 0.01 1.35 -1.61 1.20 0.00 0.00 173.24 174.18 1pco s GLU 48 N -3.52 3.45 0.07 5.44 8.01 -1.26 -1.39 118.70 129.51 1pco s GLU 48 Ca 0.33 0.56 0.07 0.00 0.01 0.00 0.00 54.97 55.95 1pco s GLU 48 Cb -0.10 -4.06 -0.04 0.00 -4.31 0.00 0.00 34.13 25.63 1pco s GLU 48 CO 0.27 -1.74 -0.15 0.00 0.01 0.00 0.00 175.26 173.65 1pco s SER 50 N -1.83 5.47 0.12 0.00 0.15 -1.26 -1.21 113.70 115.15 1pco s SER 50 Ca 0.17 0.06 -0.10 0.00 0.70 0.00 0.00 55.95 56.78 1pco s SER 50 Cb -0.11 -1.90 -0.10 0.00 -1.71 0.00 0.00 66.02 62.20 1pco s SER 50 CO 0.09 0.19 1.36 0.00 1.20 0.00 0.00 173.24 176.08 1pco h ALA 51 N 6.55 0.40 -2.23 5.45 0.00 -1.93 -3.40 119.26 124.10 1pco h ALA 51 Ca -0.37 -0.58 -0.47 0.00 0.00 0.00 0.00 54.91 53.49 1pco h ALA 51 Cb 1.17 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1pco h ALA 51 CO 0.68 0.69 -0.22 -0.59 0.00 0.00 0.00 179.25 179.82 1pco s PHE 52 N -3.83 3.49 0.10 0.00 -0.71 -1.26 -5.06 117.98 110.71 1pco s PHE 52 Ca -0.10 0.30 0.06 0.00 -1.04 0.00 0.00 56.93 56.16 1pco s PHE 52 Cb 0.09 -1.87 -0.03 0.00 -1.21 0.00 0.00 43.02 40.00 1pco s PHE 52 CO 0.89 0.15 -0.15 0.95 -1.34 0.00 0.00 175.22 175.71 1pco s THR 53 N -2.28 1.33 -0.18 -4.49 -4.23 -1.26 -5.04 115.64 99.49 1pco s THR 53 Ca 0.39 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 59.19 1pco s THR 53 Cb -0.10 -1.39 -0.06 0.00 1.34 0.00 0.00 72.50 72.30 1pco s THR 53 CO 0.35 -0.29 -0.30 0.00 -0.54 0.00 0.00 174.62 173.84 1pco n LEU 54 N 0.87 1.91 0.04 4.79 -0.00 -1.26 -5.05 117.00 118.30 1pco n LEU 54 Ca -0.18 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 1pco n LEU 54 Cb 0.55 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 1pco n LEU 54 CO 0.24 -0.27 0.00 0.00 -0.00 0.00 0.00 177.39 177.36 1pco n TYR 55 N -4.49 -2.47 0.00 1.47 9.36 -1.26 -5.15 117.16 114.62 1pco n TYR 55 Ca -0.15 0.30 0.00 0.00 3.32 0.00 0.00 57.90 61.38 1pco n TYR 55 Cb 0.48 1.07 0.00 0.00 -0.63 0.00 0.00 39.34 40.26 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 -1.38 0.44 3.78 2.98 0.00 -1.26 -4.59 105.19 105.16 1pco n GLY 56 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 4.88 -0.10 1.61 1.01 -1.26 -0.99 120.40 125.54 1pco s VAL 57 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1pco s VAL 57 Cb 0.00 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1pco s VAL 57 CO 0.00 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.22 1pco s TYR 58 N -1.02 2.80 -2.10 5.22 2.02 -0.19 -4.85 117.35 119.24 1pco s TYR 58 Ca 0.16 -0.41 0.15 0.00 -0.37 0.00 0.00 57.07 56.61 1pco s TYR 58 Cb -0.12 -1.78 0.67 0.00 -0.40 0.00 0.00 41.96 40.34 1pco s TYR 58 CO 0.06 -0.03 1.47 0.66 -1.57 0.00 0.00 175.55 176.14 1pco n TYR 59 N 3.04 0.16 -3.15 2.71 4.01 -1.26 -1.14 117.16 121.53 1pco n TYR 59 Ca -0.18 -0.08 0.04 0.00 -0.16 0.00 0.00 57.90 57.53 1pco n TYR 59 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.55 1pco n TYR 59 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1pco s LYS 60 N -1.84 0.43 0.17 -0.72 0.00 -1.26 -4.85 119.74 111.67 1pco s LYS 60 Ca 0.25 0.52 -0.31 0.00 0.00 0.00 0.00 55.97 56.43 1pco s LYS 60 Cb 0.13 0.26 -0.09 0.00 0.00 0.00 0.00 37.83 38.13 1pco s LYS 60 CO 0.19 -0.70 1.42 0.00 0.00 0.00 0.00 175.35 176.26 1pco n PRO 62 N 3.35 0.35 -2.44 0.00 -0.02 -1.26 -3.82 135.00 131.15 1pco n PRO 62 Ca 0.10 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 1pco n PRO 62 Cb 0.41 -1.67 -0.02 0.00 -0.02 0.00 0.00 33.50 32.19 1pco n PRO 62 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pco s GLU 64 N -3.36 1.50 -0.04 0.00 -1.05 -1.08 -4.76 118.70 109.91 1pco s GLU 64 Ca 0.67 1.08 -0.30 0.00 -0.15 0.00 0.00 54.97 56.28 1pco s GLU 64 Cb -0.17 -1.82 -0.07 0.00 -0.44 0.00 0.00 34.13 31.64 1pco s GLU 64 CO 0.23 -2.14 1.80 0.50 0.95 0.00 0.00 175.26 176.60 1pco s ARG 65 N -4.85 4.08 0.00 -4.83 3.52 -1.26 -2.28 118.95 113.33 1pco s ARG 65 Ca 0.63 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 58.53 1pco s ARG 65 Cb -0.19 -4.08 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 1pco s ARG 65 CO 0.57 -0.99 0.00 0.41 -0.81 0.00 0.00 175.30 174.48 1pco n GLY 66 N 4.42 1.92 3.89 8.12 0.00 -1.26 -4.97 105.19 117.30 1pco n GLY 66 Ca 0.19 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 0.10 0.99 1.02 -0.96 -1.11 118.68 123.10 1pco s LEU 67 Ca 0.00 0.45 -0.02 0.00 0.02 0.00 0.00 54.13 54.58 1pco s LEU 67 Cb 0.00 -2.40 -0.05 0.00 0.02 0.00 0.00 46.19 43.76 1pco s LEU 67 CO 0.00 0.32 0.30 0.28 0.02 0.00 0.00 176.35 177.27 1pco s THR 68 N -1.19 5.27 -0.35 5.49 -1.32 0.70 -4.56 115.64 119.68 1pco s THR 68 Ca 0.22 -0.18 -0.15 0.00 -1.21 0.00 0.00 61.69 60.37 1pco s THR 68 Cb -0.13 -3.63 -0.01 0.00 -1.51 0.00 0.00 72.50 67.23 1pco s THR 68 CO 0.12 0.08 0.37 0.00 -2.21 0.00 0.00 174.62 172.98 1pco s GLU 70 N 2.03 3.10 -0.86 0.00 -1.05 -0.60 -4.78 118.70 116.53 1pco s GLU 70 Ca 0.12 -1.50 -0.07 0.00 -0.15 0.00 0.00 54.97 53.37 1pco s GLU 70 Cb -0.17 -4.31 -0.10 0.00 -0.44 0.00 0.00 34.13 29.11 1pco s GLU 70 CO 0.12 -1.49 2.55 0.41 0.95 0.00 0.00 175.26 177.80 1pco n GLY 71 N 5.20 3.26 3.02 -3.83 0.00 -1.26 -2.53 105.19 109.05 1pco n GLY 71 Ca -0.07 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 2.73 5.39 0.00 1.61 1.11 -0.98 -4.75 116.67 121.78 1pco s ASP 72 Ca 0.51 -3.64 0.00 0.00 0.18 0.00 0.00 52.55 49.60 1pco s ASP 72 Cb 0.16 -1.79 0.00 0.00 1.07 0.00 0.00 42.92 42.36 1pco s ASP 72 CO -0.03 -0.17 0.00 1.17 1.18 0.00 0.00 175.17 177.32 1pco n LYS 73 N 2.37 0.00 -2.87 8.23 4.81 -0.51 -4.35 118.16 125.84 1pco n LYS 73 Ca 0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.53 1pco n LYS 73 Cb 0.36 -1.36 0.04 0.00 0.02 0.00 0.00 35.03 34.09 1pco n LYS 73 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1pco n SER 74 N 0.27 -3.26 -3.07 3.14 3.41 -1.19 -3.93 113.62 108.98 1pco n SER 74 Ca 0.00 -0.26 -0.15 0.00 -0.26 0.00 0.00 58.87 58.20 1pco n SER 74 Cb 0.00 -2.58 0.01 0.00 -0.26 0.00 0.00 64.21 61.39 1pco n SER 74 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1pco n LEU 75 N -2.51 -6.33 0.00 1.04 -0.00 -1.26 -3.57 117.00 104.37 1pco n LEU 75 Ca -0.05 0.23 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1pco n LEU 75 Cb 0.55 -2.92 0.00 0.00 -0.00 0.00 0.00 43.42 41.05 1pco n LEU 75 CO 0.29 -1.56 0.00 0.55 -0.00 0.00 0.00 177.39 176.67 1pco n VAL 76 N -0.58 0.00 -1.46 1.96 3.14 -1.26 -4.25 118.33 115.87 1pco n VAL 76 Ca 0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.42 1pco n VAL 76 Cb 0.53 -0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 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 -1.07 -0.69 0.00 7.55 0.00 -1.23 -4.73 105.19 105.01 1pco n GLY 77 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.48 0.00 0.01 1.61 2.88 -1.26 -3.99 113.62 112.39 1pco n SER 78 Ca 0.00 0.49 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 1pco n SER 78 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 1pco n SER 78 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1pco n ILE 79 N -1.50 0.26 -4.39 2.46 -0.00 -1.26 -5.09 119.36 109.83 1pco n ILE 79 Ca 0.02 0.08 -0.19 0.00 -0.00 0.00 0.00 62.75 62.66 1pco n ILE 79 Cb 0.08 -1.05 -0.10 0.00 -0.00 0.00 0.00 39.64 38.57 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 -1.23 1.09 -0.36 1.39 -4.23 -1.26 -4.77 115.64 106.27 1pco s THR 80 Ca 0.00 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1pco s THR 80 Cb 0.00 -2.61 0.12 0.00 1.34 0.00 0.00 72.50 71.35 1pco s THR 80 CO 0.00 -0.12 0.17 0.21 -0.54 0.00 0.00 174.62 174.33 1pco s ASN 81 N -3.40 3.71 0.00 3.99 2.47 -1.26 -4.43 114.94 116.01 1pco s ASN 81 Ca 0.34 -2.05 0.00 0.00 0.42 0.00 0.00 52.86 51.57 1pco s ASN 81 Cb 0.07 -0.82 0.00 0.00 -1.45 0.00 0.00 41.25 39.05 1pco s ASN 81 CO 0.13 -0.35 0.00 0.35 -3.72 0.00 0.00 177.10 173.51 1pco n THR 82 N 4.29 0.00 -3.30 -5.21 -2.24 -1.26 -5.06 114.28 101.50 1pco n THR 82 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.58 1pco n THR 82 Cb 0.39 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.53 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 1.02 0.51 3.42 2.47 -1.26 -4.86 114.94 117.24 1pco s ASN 83 Ca 0.00 -2.78 0.08 0.00 0.42 0.00 0.00 52.86 50.58 1pco s ASN 83 Cb 0.00 -0.04 0.08 0.00 -1.45 0.00 0.00 41.25 39.83 1pco s ASN 83 CO 0.00 -0.16 0.65 0.49 -3.72 0.00 0.00 177.10 174.36 1pco n PHE 84 N 2.96 -2.05 -4.07 0.43 3.72 -1.25 -4.79 117.46 112.40 1pco n PHE 84 Ca 0.27 -1.92 -0.09 0.00 -0.05 0.00 0.00 57.45 55.66 1pco n PHE 84 Cb 0.49 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 1pco n PHE 84 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pco n GLY 85 N -1.21 3.30 3.19 1.37 0.00 -0.35 -1.42 105.19 110.07 1pco n GLY 85 Ca 0.11 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.66 1.44 0.02 -0.61 -1.09 -1.05 -1.62 121.20 115.63 1pco s ILE 86 Ca 0.19 -0.97 -0.30 0.00 -2.23 0.00 0.00 60.65 57.34 1pco s ILE 86 Cb 0.01 -1.24 -0.05 0.00 -1.58 0.00 0.00 42.46 39.60 1pco s ILE 86 CO 0.13 0.25 1.24 0.00 -1.23 0.00 0.00 174.94 175.33 1pco s HIS 88 N 1.63 0.39 -1.16 0.00 3.76 -0.35 -1.00 115.29 118.56 1pco s HIS 88 Ca 0.59 -0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 54.56 1pco s HIS 88 Cb -0.29 -0.29 0.20 0.00 1.11 0.00 0.00 32.58 33.31 1pco s HIS 88 CO 0.27 -0.31 1.32 1.21 -0.85 0.00 0.00 174.74 176.37 1pco s ASN 89 N -2.31 7.10 -0.06 1.40 2.47 -1.26 -0.22 114.94 122.05 1pco s ASN 89 Ca -0.03 -3.07 -0.00 0.00 0.42 0.00 0.00 52.86 50.19 1pco s ASN 89 Cb 0.01 -2.35 -0.04 0.00 -1.45 0.00 0.00 41.25 37.42 1pco s ASN 89 CO -0.06 -0.65 -0.06 0.52 -3.72 0.00 0.00 177.10 173.13 1pco n VAL 90 N 4.20 0.35 -0.22 -5.21 0.31 -1.26 -4.87 118.33 111.64 1pco n VAL 90 Ca 0.32 -0.13 -0.09 0.00 -0.01 0.00 0.00 64.34 64.43 1pco n VAL 90 Cb 0.42 -0.85 0.03 0.00 -0.91 0.00 0.00 33.84 32.53 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 0.35 1.15 0.00 2.92 0.00 -1.79 -3.48 103.07 102.23 1pco h GLY 91 Ca -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1pco h GLY 91 CO -0.03 0.77 0.00 -2.13 0.00 0.00 0.00 176.54 175.15 1pco n ARG 92 N -4.20 0.00 0.00 4.80 0.63 -0.27 -4.95 116.66 112.67 1pco n ARG 92 Ca 0.03 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.05 1pco n ARG 92 Cb 0.34 0.00 0.54 0.00 0.45 0.00 0.00 32.46 33.79 1pco n ARG 92 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57