#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 3.06 -0.65 1.45 0.04 -1.26 -4.98 135.00 132.65 1pco s PRO 2 Ca 0.00 -0.22 -0.11 0.00 0.04 0.00 0.00 61.00 60.72 1pco s PRO 2 Cb 0.00 -4.58 0.17 0.00 0.04 0.00 0.00 34.50 30.13 1pco s PRO 2 CO 0.00 -2.45 0.55 0.34 0.04 0.00 0.00 177.00 175.48 1pco s ASP 3 N 5.59 6.08 -0.55 6.66 -1.08 -1.26 -5.06 116.67 127.06 1pco s ASP 3 Ca 0.49 -2.41 -0.28 0.00 -0.52 0.00 0.00 52.55 49.83 1pco s ASP 3 Cb -0.07 -2.08 0.01 0.00 -1.46 0.00 0.00 42.92 39.31 1pco s ASP 3 CO 0.09 -0.60 1.50 -2.16 0.52 0.00 0.00 175.17 174.53 1pco s PRO 4 N 0.61 3.23 0.34 4.34 0.04 -1.26 -4.93 135.00 137.36 1pco s PRO 4 Ca 0.13 0.56 0.14 0.00 0.04 0.00 0.00 61.00 61.86 1pco s PRO 4 Cb -0.19 -4.16 0.61 0.00 0.04 0.00 0.00 34.50 30.80 1pco s PRO 4 CO -0.04 -2.02 1.74 -0.09 0.04 0.00 0.00 177.00 176.63 1pco h ARG 5 N 11.66 0.00 -4.47 4.56 9.65 -1.95 -3.40 114.38 130.43 1pco h ARG 5 Ca -0.27 0.00 -0.70 0.00 -1.10 0.00 0.00 59.98 57.91 1pco h ARG 5 Cb 1.11 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.64 1pco h ARG 5 CO 1.17 0.45 2.88 0.41 2.80 0.00 0.00 179.97 187.68 1pco n GLY 6 N -0.07 3.91 0.03 2.80 0.00 -1.21 -4.65 105.19 105.98 1pco n GLY 6 Ca -0.01 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 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 5.46 0.47 -0.05 -0.61 2.08 -1.26 -4.88 119.36 120.56 1pco n ILE 7 Ca 0.51 0.39 -0.08 0.00 0.56 0.00 0.00 62.75 64.14 1pco n ILE 7 Cb 0.41 -1.77 -0.03 0.00 -0.75 0.00 0.00 39.64 37.50 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 -3.10 1.39 -3.26 1.39 2.08 -1.26 -5.07 119.36 111.53 1pco n ILE 8 Ca -0.04 0.18 -0.21 0.00 0.56 0.00 0.00 62.75 63.24 1pco n ILE 8 Cb 0.15 -2.09 0.04 0.00 -0.75 0.00 0.00 39.64 36.99 1pco n ILE 8 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1pco s ILE 9 N -2.61 2.14 -0.89 1.39 -4.36 -1.26 -4.87 121.20 110.74 1pco s ILE 9 Ca -0.21 -1.13 -0.04 0.00 -0.26 0.00 0.00 60.65 59.01 1pco s ILE 9 Cb 0.03 -2.27 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1pco s ILE 9 CO 0.30 0.00 0.77 -3.20 0.24 0.00 0.00 174.94 173.06 1pco n ASN 10 N -2.06 -4.97 -4.43 4.36 2.85 -0.56 -4.22 115.26 106.23 1pco n ASN 10 Ca 0.10 -0.57 -0.21 0.00 -0.11 0.00 0.00 54.58 53.80 1pco n ASN 10 Cb 0.62 -4.37 -0.11 0.00 1.24 0.00 0.00 39.78 37.16 1pco n ASN 10 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 1pco s LEU 11 N -5.11 2.18 0.91 1.20 0.05 -1.06 -3.36 118.68 113.48 1pco s LEU 11 Ca 0.29 -1.35 -0.12 0.00 0.05 0.00 0.00 54.13 53.00 1pco s LEU 11 Cb -0.04 -0.37 0.13 0.00 -2.05 0.00 0.00 46.19 43.86 1pco s LEU 11 CO 0.61 -0.58 1.14 -1.81 -0.55 0.00 0.00 176.35 175.15 1pco s ASP 12 N -3.46 3.56 0.55 1.48 1.11 -1.26 -1.18 116.67 117.47 1pco s ASP 12 Ca 0.35 0.98 -0.17 0.00 0.18 0.00 0.00 52.55 53.89 1pco s ASP 12 Cb 0.08 -1.56 -0.05 0.00 1.07 0.00 0.00 42.92 42.46 1pco s ASP 12 CO 0.15 -2.52 1.04 -1.83 1.18 0.00 0.00 175.17 173.19 1pco s GLU 13 N -5.27 3.52 0.00 8.23 1.03 -1.26 -4.30 118.70 120.65 1pco s GLU 13 Ca 0.64 1.22 0.00 0.00 0.03 0.00 0.00 54.97 56.86 1pco s GLU 13 Cb -0.15 -2.06 0.00 0.00 -0.80 0.00 0.00 34.13 31.12 1pco s GLU 13 CO 0.53 -0.65 0.00 0.41 -1.33 0.00 0.00 175.26 174.23 1pco n GLY 14 N -0.84 0.97 3.00 -3.83 0.00 0.37 -4.95 105.19 99.90 1pco n GLY 14 Ca 0.09 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.21 0.49 0.30 1.61 0.41 -1.26 -4.94 118.70 114.10 1pco s GLU 15 Ca 0.00 -0.37 -0.28 0.00 -0.41 0.00 0.00 54.97 53.92 1pco s GLU 15 Cb 0.00 -0.41 -0.09 0.00 -1.78 0.00 0.00 34.13 31.84 1pco s GLU 15 CO 0.00 0.10 1.00 -1.17 -0.49 0.00 0.00 175.26 174.70 1pco s LEU 16 N -0.55 4.46 0.00 1.80 2.96 -1.26 -1.95 118.68 124.14 1pco s LEU 16 Ca -0.01 2.01 0.04 0.00 -0.22 0.00 0.00 54.13 55.95 1pco s LEU 16 Cb -0.04 -3.82 -0.02 0.00 0.50 0.00 0.00 46.19 42.81 1pco s LEU 16 CO -0.00 -0.08 0.15 0.00 -1.32 0.00 0.00 176.35 175.10 1pco n LEU 18 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.71 117.00 115.80 1pco n LEU 18 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1pco n LEU 18 Cb 0.55 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1pco n LEU 18 CO 0.29 -0.27 0.00 -0.46 -1.33 0.00 0.00 177.39 175.62 1pco n ASN 19 N -1.95 0.00 -0.03 -1.43 0.23 -1.26 -4.60 115.26 106.22 1pco n ASN 19 Ca 0.00 -0.86 0.12 0.00 -0.53 0.00 0.00 54.58 53.31 1pco n ASN 19 Cb 0.00 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 37.96 1pco n ASN 19 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1pco n SER 20 N -2.58 0.56 -0.02 0.53 7.64 -1.18 -4.34 113.62 114.23 1pco n SER 20 Ca 0.00 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.55 1pco n SER 20 Cb 0.00 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1pco n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pco n ALA 21 N -1.41 2.33 -0.05 -0.43 0.00 -1.26 -3.45 120.51 116.24 1pco n ALA 21 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1pco n ALA 21 Cb 0.34 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.48 0.65 -0.63 0.00 6.02 -1.26 -4.36 117.38 117.32 1pco n GLN 22 Ca 0.00 0.17 -0.08 0.00 -0.01 0.00 0.00 57.00 57.08 1pco n GLN 22 Cb 0.01 -1.68 0.05 0.00 1.02 0.00 0.00 30.24 29.64 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 0.00 -0.01 0.00 0.00 1.79 -1.39 -3.16 116.57 113.80 1pco h LYS 24 Ca -0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1pco h LYS 24 Cb 0.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1pco h LYS 24 CO 0.09 -0.01 0.00 0.45 -1.08 0.00 0.00 179.45 178.90 1pco n SER 25 N -2.24 0.00 -2.68 0.86 2.88 -1.26 -4.70 113.62 106.48 1pco n SER 25 Ca -0.00 0.25 -0.05 0.00 -1.33 0.00 0.00 58.87 57.73 1pco n SER 25 Cb 0.01 -0.37 0.09 0.00 -0.75 0.00 0.00 64.21 63.18 1pco n SER 25 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1pco n ASN 26 N -1.84 -1.62 -3.23 -3.46 6.94 -1.26 -4.86 115.26 105.94 1pco n ASN 26 Ca 0.00 -2.30 -0.25 0.00 -0.02 0.00 0.00 54.58 52.01 1pco n ASN 26 Cb 0.00 1.23 -0.08 0.00 -2.36 0.00 0.00 39.78 38.58 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 1.33 3.80 0.00 0.00 -0.44 -0.79 -1.53 119.66 122.03 1pco s GLN 29 Ca 0.11 -0.40 -0.24 0.00 -2.50 0.00 0.00 55.36 52.34 1pco s GLN 29 Cb -0.14 -3.48 -0.05 0.00 -1.64 0.00 0.00 33.01 27.70 1pco s GLN 29 CO 0.07 -0.17 0.71 -1.58 0.50 0.00 0.00 175.29 174.82 1pco s HIS 30 N 1.64 3.68 -1.41 1.67 5.65 0.01 -2.18 115.29 124.35 1pco s HIS 30 Ca 0.07 1.36 -0.08 0.00 0.25 0.00 0.00 55.06 56.65 1pco s HIS 30 Cb -0.15 -2.77 -0.05 0.00 -1.18 0.00 0.00 32.58 28.42 1pco s HIS 30 CO 0.07 0.24 2.87 -0.40 -0.65 0.00 0.00 174.74 176.87 1pco n ASP 31 N 3.06 8.31 -3.03 9.88 5.68 -1.25 -4.53 116.55 134.67 1pco n ASP 31 Ca -0.03 -2.71 -0.04 0.00 -0.50 0.00 0.00 54.79 51.51 1pco n ASP 31 Cb 0.51 -1.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1pco n ASP 31 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 1pco n THR 32 N 2.99 -6.34 0.00 2.12 5.66 -1.26 -3.83 114.28 113.62 1pco n THR 32 Ca 0.72 0.98 0.00 0.00 -3.05 0.00 0.00 64.05 62.70 1pco n THR 32 Cb 0.29 -4.72 0.00 0.00 -1.55 0.00 0.00 70.33 64.35 1pco n THR 32 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1pco n ILE 33 N 0.86 0.00 -1.74 1.09 -0.00 -1.26 -4.92 119.36 113.39 1pco n ILE 33 Ca -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.32 1pco n ILE 33 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.95 1pco n ILE 33 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 1pco s LEU 34 N 0.00 3.86 -0.24 1.39 1.43 -1.25 -4.92 118.68 118.95 1pco s LEU 34 Ca 0.00 2.07 -0.05 0.00 -1.03 0.00 0.00 54.13 55.13 1pco s LEU 34 Cb 0.00 -3.52 -0.10 0.00 0.03 0.00 0.00 46.19 42.60 1pco s LEU 34 CO 0.00 -1.52 3.19 -1.54 0.23 0.00 0.00 176.35 176.71 1pco n SER 35 N 9.66 5.88 -4.42 2.29 3.41 -1.26 -3.76 113.62 125.41 1pco n SER 35 Ca 0.24 -2.85 -0.45 0.00 -0.26 0.00 0.00 58.87 55.55 1pco n SER 35 Cb 0.44 -1.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.05 1pco n SER 35 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pco s LEU 36 N -1.11 5.47 -0.44 1.04 0.20 -1.26 -5.00 118.68 117.58 1pco s LEU 36 Ca 0.63 -2.61 -0.19 0.00 0.69 0.00 0.00 54.13 52.65 1pco s LEU 36 Cb 0.35 -2.35 0.03 0.00 -0.43 0.00 0.00 46.19 43.79 1pco s LEU 36 CO -0.11 -0.80 0.53 -0.44 -0.29 0.00 0.00 176.35 175.23 1pco s SER 37 N 2.90 6.24 -0.05 3.68 0.01 -1.26 -4.25 113.70 120.97 1pco s SER 37 Ca 0.33 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 57.06 1pco s SER 37 Cb -0.06 -2.26 -0.01 0.00 0.21 0.00 0.00 66.02 63.90 1pco s SER 37 CO -0.06 -0.68 -0.20 -0.60 0.41 0.00 0.00 173.24 172.11 1pco s ARG 38 N 2.42 2.03 0.47 12.44 3.52 -0.92 -1.29 118.95 137.61 1pco s ARG 38 Ca 0.16 -0.71 -0.24 0.00 -0.13 0.00 0.00 55.73 54.81 1pco s ARG 38 Cb -0.16 -1.75 -0.07 0.00 -1.56 0.00 0.00 34.95 31.40 1pco s ARG 38 CO 0.15 0.30 1.27 0.00 -0.81 0.00 0.00 175.30 176.21 1pco n ALA 40 N -0.45 0.22 -1.86 0.00 0.00 -1.24 -0.48 120.51 116.70 1pco n ALA 40 Ca 0.07 -0.63 -0.33 0.00 0.00 0.00 0.00 53.44 52.56 1pco n ALA 40 Cb 0.46 0.49 -0.06 0.00 0.00 0.00 0.00 19.45 20.34 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 3.85 0.29 0.00 0.05 -1.26 -4.81 118.68 116.80 1pco s LEU 41 Ca 0.11 1.61 -0.26 0.00 0.05 0.00 0.00 54.13 55.64 1pco s LEU 41 Cb 0.01 -4.48 -0.09 0.00 -2.05 0.00 0.00 46.19 39.57 1pco s LEU 41 CO 0.08 -0.42 0.91 -1.59 -0.55 0.00 0.00 176.35 174.78 1pco s LYS 42 N -3.46 4.60 0.54 1.48 -2.85 -1.26 -4.49 119.74 114.30 1pco s LYS 42 Ca 0.60 1.29 -0.18 0.00 -1.00 0.00 0.00 55.97 56.69 1pco s LYS 42 Cb -0.09 -2.93 -0.06 0.00 -2.06 0.00 0.00 37.83 32.69 1pco s LYS 42 CO 0.19 0.36 1.04 0.00 0.10 0.00 0.00 175.35 177.05 1pco s ALA 43 N -1.49 2.82 0.42 0.59 0.00 -1.26 -4.55 121.76 118.29 1pco s ALA 43 Ca 0.47 0.47 0.08 0.00 0.00 0.00 0.00 51.96 52.97 1pco s ALA 43 Cb -0.20 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1pco s ALA 43 CO 0.25 -0.55 0.50 1.03 0.00 0.00 0.00 175.76 176.99 1pco s ARG 44 N -3.72 2.70 0.11 0.00 0.52 -1.26 -1.28 118.95 116.03 1pco s ARG 44 Ca 0.65 -1.37 -0.36 0.00 -0.52 0.00 0.00 55.73 54.13 1pco s ARG 44 Cb -0.16 -2.61 -0.16 0.00 0.52 0.00 0.00 34.95 32.55 1pco s ARG 44 CO 0.29 -0.26 1.40 -1.91 0.02 0.00 0.00 175.30 174.85 1pco n GLU 45 N -1.74 1.42 -2.36 3.54 2.13 -1.26 -2.01 120.64 120.37 1pco n GLU 45 Ca 0.06 0.51 -0.11 0.00 0.66 0.00 0.00 57.16 58.28 1pco n GLU 45 Cb 0.60 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.13 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 2.75 -3.76 -4.22 4.31 3.02 -0.43 -4.97 115.26 111.95 1pco n ASN 46 Ca 0.18 -0.06 -0.18 0.00 -0.03 0.00 0.00 54.58 54.49 1pco n ASN 46 Cb 0.22 -2.89 -0.11 0.00 -0.61 0.00 0.00 39.78 36.39 1pco n ASN 46 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pco s SER 47 N -2.60 1.91 -0.28 6.41 0.01 -0.85 -4.92 113.70 113.37 1pco s SER 47 Ca 0.05 -0.77 -0.29 0.00 1.31 0.00 0.00 55.95 56.25 1pco s SER 47 Cb -0.02 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.14 1pco s SER 47 CO 0.06 -0.14 1.36 -1.61 0.41 0.00 0.00 173.24 173.32 1pco s GLU 48 N -2.50 3.89 0.14 12.44 2.02 -1.26 -1.91 118.70 131.53 1pco s GLU 48 Ca 0.07 1.32 0.07 0.00 0.02 0.00 0.00 54.97 56.45 1pco s GLU 48 Cb -0.06 -3.91 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1pco s GLU 48 CO 0.03 -1.15 -0.03 0.00 0.02 0.00 0.00 175.26 174.13 1pco s SER 50 N -2.66 6.39 -0.07 0.00 0.01 0.05 -0.80 113.70 116.61 1pco s SER 50 Ca 0.26 0.49 -0.20 0.00 1.31 0.00 0.00 55.95 57.82 1pco s SER 50 Cb -0.10 -2.55 -0.15 0.00 0.21 0.00 0.00 66.02 63.43 1pco s SER 50 CO 0.17 -1.45 0.74 0.00 0.41 0.00 0.00 173.24 173.11 1pco h ALA 51 N 10.20 -0.15 -2.73 1.44 0.00 -1.89 -3.37 119.26 122.76 1pco h ALA 51 Ca -0.26 -0.24 -0.60 0.00 0.00 0.00 0.00 54.91 53.81 1pco h ALA 51 Cb 1.08 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1pco h ALA 51 CO 1.13 -0.21 -0.20 -0.59 0.00 0.00 0.00 179.25 179.38 1pco s PHE 52 N -2.98 3.69 -0.03 0.00 -0.12 -1.26 -4.99 117.98 112.29 1pco s PHE 52 Ca -0.12 0.96 0.02 0.00 -0.05 0.00 0.00 56.93 57.74 1pco s PHE 52 Cb -0.00 -2.32 -0.03 0.00 -0.63 0.00 0.00 43.02 40.03 1pco s PHE 52 CO 0.45 0.57 -0.06 0.95 -0.05 0.00 0.00 175.22 177.08 1pco s THR 53 N -0.80 3.73 0.00 -4.49 -4.23 -1.26 -5.12 115.64 103.47 1pco s THR 53 Ca 0.24 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1pco s THR 53 Cb -0.16 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1pco s THR 53 CO 0.13 0.49 0.00 0.00 -0.54 0.00 0.00 174.62 174.69 1pco n LEU 54 N 1.85 0.00 -3.66 4.79 -0.00 -1.26 -5.04 117.00 113.68 1pco n LEU 54 Ca -0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.57 1pco n LEU 54 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1pco n LEU 54 CO 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.68 1pco n TYR 55 N 0.00 3.21 -3.28 1.47 9.36 -1.26 -5.06 117.16 121.60 1pco n TYR 55 Ca 0.00 -4.20 0.00 0.00 3.32 0.00 0.00 57.90 57.02 1pco n TYR 55 Cb 0.00 -0.56 0.00 0.00 -0.63 0.00 0.00 39.34 38.15 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 1.48 -0.71 3.79 2.98 0.00 -1.26 -4.90 105.19 106.56 1pco n GLY 56 Ca 0.25 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.00 4.17 -0.05 1.61 1.01 -1.26 -3.13 120.40 119.74 1pco s VAL 57 Ca 0.00 1.70 0.04 0.00 0.00 0.00 0.00 61.98 63.72 1pco s VAL 57 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1pco s VAL 57 CO 0.00 0.05 -0.17 -0.31 0.00 0.00 0.00 175.10 174.67 1pco s TYR 58 N -1.71 2.64 0.38 5.22 2.02 -0.58 -4.87 117.35 120.44 1pco s TYR 58 Ca 0.53 -0.28 0.11 0.00 -0.37 0.00 0.00 57.07 57.07 1pco s TYR 58 Cb -0.18 -1.63 0.76 0.00 -0.40 0.00 0.00 41.96 40.52 1pco s TYR 58 CO 0.23 0.09 1.87 1.88 -1.57 0.00 0.00 175.55 178.05 1pco h TYR 59 N 5.53 0.10 -1.90 2.71 -1.99 -1.85 0.05 116.97 119.62 1pco h TYR 59 Ca -0.43 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.21 1pco h TYR 59 Cb 1.15 -0.03 -0.27 0.00 2.00 0.00 0.00 36.73 39.59 1pco h TYR 59 CO 0.48 0.36 -0.38 0.15 -0.00 0.00 0.00 178.16 178.77 1pco s LYS 60 N -4.41 0.40 0.51 4.88 1.02 -1.26 -4.34 119.74 116.53 1pco s LYS 60 Ca -0.04 0.83 -0.18 0.00 0.02 0.00 0.00 55.97 56.60 1pco s LYS 60 Cb 0.15 0.04 -0.15 0.00 -0.52 0.00 0.00 37.83 37.35 1pco s LYS 60 CO 0.73 -0.50 -0.13 0.00 -0.92 0.00 0.00 175.35 174.53 1pco n PRO 62 N 1.51 1.57 -1.39 0.00 -0.02 -1.26 -3.61 135.00 131.80 1pco n PRO 62 Ca 0.08 -1.15 0.17 0.00 -2.02 0.00 0.00 63.50 60.58 1pco n PRO 62 Cb 0.47 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 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 -3.99 2.96 0.00 0.00 -1.05 -0.40 -4.57 118.70 111.65 1pco s GLU 64 Ca 0.00 0.90 -0.30 0.00 -0.15 0.00 0.00 54.97 55.43 1pco s GLU 64 Cb 0.00 -2.00 -0.07 0.00 -0.44 0.00 0.00 34.13 31.62 1pco s GLU 64 CO 0.00 -1.07 1.82 0.50 0.95 0.00 0.00 175.26 177.46 1pco s ARG 65 N -5.07 4.16 0.00 -4.83 3.52 -1.26 -2.31 118.95 113.16 1pco s ARG 65 Ca 0.58 2.42 0.00 0.00 -0.13 0.00 0.00 55.73 58.60 1pco s ARG 65 Cb -0.14 -4.05 0.00 0.00 -1.56 0.00 0.00 34.95 29.20 1pco s ARG 65 CO 0.55 -0.90 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 1pco n GLY 66 N 4.34 2.59 3.89 8.12 0.00 -1.26 -5.09 105.19 117.78 1pco n GLY 66 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 4.37 0.15 0.99 1.02 -0.98 -3.07 118.68 121.17 1pco s LEU 67 Ca 0.00 0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.63 1pco s LEU 67 Cb 0.00 -2.61 -0.04 0.00 0.02 0.00 0.00 46.19 43.56 1pco s LEU 67 CO 0.00 0.27 0.31 0.28 0.02 0.00 0.00 176.35 177.22 1pco s THR 68 N -1.29 5.29 -0.71 5.49 -1.32 0.21 -4.62 115.64 118.68 1pco s THR 68 Ca 0.27 -0.49 -0.19 0.00 -1.21 0.00 0.00 61.69 60.06 1pco s THR 68 Cb -0.13 -3.71 0.12 0.00 -1.51 0.00 0.00 72.50 67.27 1pco s THR 68 CO 0.16 -0.06 0.86 0.00 -2.21 0.00 0.00 174.62 173.37 1pco s GLU 70 N 2.68 3.03 0.00 0.00 2.56 -0.31 -4.67 118.70 121.98 1pco s GLU 70 Ca 0.19 -1.29 0.00 0.00 0.00 0.00 0.00 54.97 53.87 1pco s GLU 70 Cb -0.17 -4.17 0.00 0.00 2.00 0.00 0.00 34.13 31.79 1pco s GLU 70 CO 0.02 -1.20 0.00 0.41 -0.56 0.00 0.00 175.26 173.92 1pco n GLY 71 N 5.21 1.21 4.58 -1.50 0.00 -1.26 -1.12 105.19 112.31 1pco n GLY 71 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.00 -3.69 1.61 8.00 -1.08 -4.84 116.55 116.56 1pco n ASP 72 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 1pco n ASP 72 Cb 0.00 -0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 40.61 1pco n ASP 72 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1pco s LYS 73 N 0.00 0.01 -0.99 -1.24 -2.85 -1.11 -3.24 119.74 110.32 1pco s LYS 73 Ca 0.00 0.47 -0.16 0.00 -1.00 0.00 0.00 55.97 55.28 1pco s LYS 73 Cb 0.00 -0.31 0.17 0.00 -2.06 0.00 0.00 37.83 35.62 1pco s LYS 73 CO 0.00 -0.28 1.14 0.45 0.10 0.00 0.00 175.35 176.75 1pco s SER 74 N 2.03 6.81 0.36 0.03 0.15 -0.45 -4.75 113.70 117.88 1pco s SER 74 Ca 0.01 -2.50 0.06 0.00 0.70 0.00 0.00 55.95 54.22 1pco s SER 74 Cb -0.12 -2.35 0.74 0.00 -1.71 0.00 0.00 66.02 62.58 1pco s SER 74 CO -0.05 -0.84 1.96 0.25 1.20 0.00 0.00 173.24 175.76 1pco h LEU 75 N 9.50 0.66 -6.53 3.45 5.85 -1.93 -2.97 115.31 123.34 1pco h LEU 75 Ca 0.19 0.00 -0.71 0.00 0.84 0.00 0.00 57.88 58.20 1pco h LEU 75 Cb 0.98 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.81 1pco h LEU 75 CO 1.07 0.43 2.77 0.52 -0.34 0.00 0.00 178.44 182.89 1pco n VAL 76 N -4.48 3.67 0.00 1.05 0.31 -1.26 -3.56 118.33 114.06 1pco n VAL 76 Ca 0.10 -3.44 0.00 0.00 -0.01 0.00 0.00 64.34 60.99 1pco n VAL 76 Cb 0.22 -2.52 0.00 0.00 -0.91 0.00 0.00 33.84 30.63 1pco n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pco n GLY 77 N 4.30 0.71 3.12 2.92 0.00 -1.22 -5.10 105.19 109.91 1pco n GLY 77 Ca 0.50 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.08 1pco n GLY 77 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pco n SER 78 N 0.00 5.70 -0.01 1.61 7.64 -1.13 -4.61 113.62 122.83 1pco n SER 78 Ca 0.00 -3.18 -0.02 0.00 1.01 0.00 0.00 58.87 56.67 1pco n SER 78 Cb 0.00 -1.40 -0.01 0.00 -1.01 0.00 0.00 64.21 61.80 1pco n SER 78 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1pco n ILE 79 N 2.65 0.75 -1.58 0.44 -0.00 -1.26 -5.07 119.36 115.30 1pco n ILE 79 Ca 0.31 0.26 -0.06 0.00 -0.00 0.00 0.00 62.75 63.26 1pco n ILE 79 Cb 0.37 -1.64 0.04 0.00 -0.00 0.00 0.00 39.64 38.41 1pco n ILE 79 CO 0.00 0.00 0.00 0.35 -0.00 0.00 0.00 176.55 176.90 1pco n THR 80 N -3.31 0.00 -1.21 1.39 -2.24 -1.26 -4.96 114.28 102.69 1pco n THR 80 Ca -0.04 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 1pco n THR 80 Cb 0.14 -1.69 -0.05 0.00 -2.10 0.00 0.00 70.33 66.63 1pco n THR 80 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pco n ASN 81 N -3.13 2.62 -4.03 3.42 4.13 -1.26 -4.84 115.26 112.17 1pco n ASN 81 Ca 0.04 -2.69 -0.43 0.00 1.68 0.00 0.00 54.58 53.18 1pco n ASN 81 Cb 0.13 -1.16 0.01 0.00 -1.54 0.00 0.00 39.78 37.22 1pco n ASN 81 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1pco n THR 82 N 5.98 5.06 -2.57 3.41 -2.24 -1.26 -4.92 114.28 117.73 1pco n THR 82 Ca 0.50 -5.58 -0.43 0.00 -2.27 0.00 0.00 64.05 56.27 1pco n THR 82 Cb 0.40 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.44 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 2.04 5.25 -4.27 3.42 4.13 -1.26 -1.34 115.26 123.23 1pco n ASN 83 Ca 0.28 -3.10 -0.23 0.00 1.68 0.00 0.00 54.58 53.21 1pco n ASN 83 Cb 0.35 -1.48 -0.12 0.00 -1.54 0.00 0.00 39.78 36.98 1pco n ASN 83 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1pco s PHE 84 N 0.34 1.70 0.36 3.10 0.08 -1.20 -4.16 117.98 118.21 1pco s PHE 84 Ca 0.39 -0.42 0.08 0.00 0.12 0.00 0.00 56.93 57.10 1pco s PHE 84 Cb 0.06 -0.94 -0.03 0.00 -0.57 0.00 0.00 43.02 41.54 1pco s PHE 84 CO 0.01 0.18 0.27 0.20 -0.10 0.00 0.00 175.22 175.79 1pco s GLY 85 N -1.87 1.95 -0.14 4.36 0.00 0.02 -2.62 107.32 109.02 1pco s GLY 85 Ca 0.05 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 42.92 1pco s GLY 85 CO 0.04 -1.67 0.09 -0.42 0.00 0.00 0.00 173.10 171.13 1pco s ILE 86 N -2.40 5.06 -0.01 0.90 -1.09 -0.28 -0.80 121.20 122.58 1pco s ILE 86 Ca 0.42 0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.59 1pco s ILE 86 Cb -0.04 -3.23 -0.07 0.00 -1.58 0.00 0.00 42.46 37.54 1pco s ILE 86 CO 0.26 0.54 1.85 0.00 -1.23 0.00 0.00 174.94 176.36 1pco s HIS 88 N 4.46 0.39 -1.19 0.00 3.76 -0.70 -1.32 115.29 120.70 1pco s HIS 88 Ca 0.83 -0.72 -0.07 0.00 -0.15 0.00 0.00 55.06 54.95 1pco s HIS 88 Cb -0.38 -0.28 0.23 0.00 1.11 0.00 0.00 32.58 33.26 1pco s HIS 88 CO 0.37 -0.24 1.72 -1.71 -0.85 0.00 0.00 174.74 174.02 1pco n ASN 89 N 1.04 5.79 0.12 1.40 5.15 -1.26 -0.62 115.26 126.88 1pco n ASN 89 Ca -0.20 -3.26 -0.24 0.00 -0.60 0.00 0.00 54.58 50.28 1pco n ASN 89 Cb 0.57 -1.38 -0.16 0.00 -0.53 0.00 0.00 39.78 38.29 1pco n ASN 89 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1pco h VAL 90 N 3.54 1.13 0.00 3.44 2.07 -1.83 -3.11 116.25 121.49 1pco h VAL 90 Ca 0.32 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1pco h VAL 90 Cb 0.61 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1pco h VAL 90 CO 1.49 0.83 0.00 0.61 0.02 0.00 0.00 177.57 180.52 1pco n GLY 91 N 1.78 -0.70 1.21 2.17 0.00 -1.17 -4.52 105.19 103.96 1pco n GLY 91 Ca -0.20 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.06 0.00 0.00 1.61 0.63 -1.25 -4.97 116.66 111.62 1pco n ARG 92 Ca 0.14 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.21 1pco n ARG 92 Cb 0.09 0.00 0.82 0.00 0.45 0.00 0.00 32.46 33.82 1pco n ARG 92 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99