#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 2.28 -3.00 1.45 -0.02 -1.26 -4.42 135.00 130.03 1pco n PRO 2 Ca 0.00 -2.59 -0.00 0.00 -2.02 0.00 0.00 63.50 58.89 1pco n PRO 2 Cb 0.00 -3.40 0.00 0.00 -0.02 0.00 0.00 33.50 30.08 1pco n PRO 2 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pco n ASP 3 N 9.56 -7.52 -4.88 2.55 8.00 -1.26 -5.05 116.55 117.95 1pco n ASP 3 Ca 0.48 -0.08 -0.30 0.00 0.71 0.00 0.00 54.79 55.61 1pco n ASP 3 Cb 0.44 -5.13 -0.03 0.00 -0.02 0.00 0.00 41.12 36.38 1pco n ASP 3 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1pco s PRO 4 N -3.04 3.73 -1.37 -0.24 0.04 -1.26 -5.00 135.00 127.85 1pco s PRO 4 Ca 0.01 0.39 -0.12 0.00 0.04 0.00 0.00 61.00 61.32 1pco s PRO 4 Cb -0.00 -2.40 0.10 0.00 0.04 0.00 0.00 34.50 32.23 1pco s PRO 4 CO 0.72 -0.05 2.06 -2.13 0.04 0.00 0.00 177.00 177.63 1pco n ARG 5 N -1.45 3.21 0.00 4.56 0.63 -1.26 -4.64 116.66 117.71 1pco n ARG 5 Ca 0.02 -3.04 0.00 0.00 -0.92 0.00 0.00 57.85 53.91 1pco n ARG 5 Cb 0.54 -3.13 0.00 0.00 0.45 0.00 0.00 32.46 30.32 1pco n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pco n GLY 6 N 3.54 0.14 3.49 5.14 0.00 -1.26 -5.09 105.19 111.14 1pco n GLY 6 Ca 0.46 0.62 -0.44 0.00 0.00 0.00 0.00 46.02 46.67 1pco n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pco s ILE 7 N 0.00 4.86 -0.85 -0.61 1.01 -1.26 -4.92 121.20 119.44 1pco s ILE 7 Ca 0.00 -2.52 -0.06 0.00 0.00 0.00 0.00 60.65 58.07 1pco s ILE 7 Cb 0.00 -4.97 -0.04 0.00 0.01 0.00 0.00 42.46 37.46 1pco s ILE 7 CO 0.00 -1.70 2.94 2.30 0.00 0.00 0.00 174.94 178.48 1pco n ILE 8 N 4.94 3.98 -1.31 2.92 -6.64 -1.26 -4.86 119.36 117.13 1pco n ILE 8 Ca 0.39 -2.87 0.00 0.00 -1.77 0.00 0.00 62.75 58.51 1pco n ILE 8 Cb 0.43 -2.06 0.00 0.00 -1.44 0.00 0.00 39.64 36.57 1pco n ILE 8 CO 0.00 0.00 0.00 2.30 -1.77 0.00 0.00 176.55 177.08 1pco n ILE 9 N 2.15 0.00 -2.84 7.28 -5.35 -1.26 -4.90 119.36 114.44 1pco n ILE 9 Ca 0.58 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 63.02 1pco n ILE 9 Cb 0.49 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.41 1pco n ILE 9 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1pco n ASN 10 N 0.00 -6.55 -4.36 7.28 3.02 -0.44 -4.96 115.26 109.25 1pco n ASN 10 Ca 0.00 -0.22 -0.26 0.00 -0.03 0.00 0.00 54.58 54.07 1pco n ASN 10 Cb 0.00 -4.54 -0.12 0.00 -0.61 0.00 0.00 39.78 34.50 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 -4.05 2.34 0.68 3.41 1.43 -0.31 -4.83 118.68 117.35 1pco s LEU 11 Ca 0.11 -0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 52.36 1pco s LEU 11 Cb -0.01 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.17 1pco s LEU 11 CO 0.62 0.11 1.03 -1.81 0.23 0.00 0.00 176.35 176.53 1pco s ASP 12 N -2.17 5.23 0.43 2.29 1.01 -1.26 -0.59 116.67 121.61 1pco s ASP 12 Ca 0.13 0.82 -0.22 0.00 0.71 0.00 0.00 52.55 53.99 1pco s ASP 12 Cb -0.09 -1.60 -0.10 0.00 1.01 0.00 0.00 42.92 42.13 1pco s ASP 12 CO 0.06 -1.39 0.98 -1.83 0.21 0.00 0.00 175.17 173.20 1pco s GLU 13 N -5.26 4.16 0.00 8.23 1.03 -1.26 -4.14 118.70 121.46 1pco s GLU 13 Ca 0.58 1.23 0.00 0.00 0.03 0.00 0.00 54.97 56.80 1pco s GLU 13 Cb -0.11 -2.24 0.00 0.00 -0.80 0.00 0.00 34.13 30.98 1pco s GLU 13 CO 0.48 -0.11 0.00 0.41 -1.33 0.00 0.00 175.26 174.71 1pco n GLY 14 N -0.36 1.00 2.94 -3.83 0.00 0.47 -4.94 105.19 100.48 1pco n GLY 14 Ca 0.07 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.84 0.31 -0.15 1.61 0.41 -1.26 -4.95 118.70 111.84 1pco s GLU 15 Ca 0.00 -0.21 -0.29 0.00 -0.41 0.00 0.00 54.97 54.06 1pco s GLU 15 Cb 0.00 -0.26 -0.03 0.00 -1.78 0.00 0.00 34.13 32.05 1pco s GLU 15 CO 0.00 0.07 1.57 -1.17 -0.49 0.00 0.00 175.26 175.24 1pco s LEU 16 N -0.29 4.11 0.17 1.80 0.20 -1.26 -1.45 118.68 121.95 1pco s LEU 16 Ca -0.01 1.86 0.09 0.00 0.69 0.00 0.00 54.13 56.77 1pco s LEU 16 Cb -0.03 -3.53 -0.04 0.00 -0.43 0.00 0.00 46.19 42.16 1pco s LEU 16 CO -0.00 -1.05 -0.18 0.00 -0.29 0.00 0.00 176.35 174.83 1pco n LEU 18 N 0.22 0.96 -4.95 0.00 4.32 -1.26 -4.45 117.00 111.84 1pco n LEU 18 Ca -0.13 0.05 -0.23 0.00 -0.02 0.00 0.00 56.01 55.69 1pco n LEU 18 Cb 0.57 -0.13 0.02 0.00 -1.62 0.00 0.00 43.42 42.26 1pco n LEU 18 CO 0.30 -0.13 0.32 0.54 -1.22 0.00 0.00 177.39 177.20 1pco s ASN 19 N -1.65 5.76 0.48 -1.43 2.20 -1.26 -4.79 114.94 114.26 1pco s ASN 19 Ca 0.00 0.32 0.27 0.00 -0.94 0.00 0.00 52.86 52.51 1pco s ASN 19 Cb 0.00 -1.50 1.10 0.00 -2.00 0.00 0.00 41.25 38.84 1pco s ASN 19 CO 0.00 -0.78 1.89 0.28 -2.94 0.00 0.00 177.10 175.55 1pco h SER 20 N 0.30 0.00 0.00 3.54 0.02 -1.07 -3.16 113.55 113.18 1pco h SER 20 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1pco h SER 20 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1pco h SER 20 CO 0.57 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 176.41 1pco n ALA 21 N -2.19 2.40 -0.03 3.77 0.00 -1.26 -3.42 120.51 119.77 1pco n ALA 21 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1pco n ALA 21 Cb 0.38 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.66 0.72 -2.61 0.00 6.02 -1.19 -4.67 117.38 114.98 1pco n GLN 22 Ca 0.06 0.28 -0.41 0.00 -0.01 0.00 0.00 57.00 56.93 1pco n GLN 22 Cb 0.03 -1.68 -0.05 0.00 1.02 0.00 0.00 30.24 29.56 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 4.90 0.23 0.00 0.00 1.79 -1.17 -3.27 116.57 119.05 1pco h LYS 24 Ca -0.44 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1pco h LYS 24 Cb 1.21 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1pco h LYS 24 CO 0.71 0.15 0.00 0.43 -1.08 0.00 0.00 179.45 179.66 1pco n SER 25 N -4.80 0.00 -0.73 0.86 7.64 -1.26 -5.02 113.62 110.30 1pco n SER 25 Ca 0.33 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.19 1pco n SER 25 Cb 1.15 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.34 1pco n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1pco n ASN 26 N -0.36 -0.22 -3.68 6.43 6.94 -1.23 -5.02 115.26 118.11 1pco n ASN 26 Ca 0.00 -0.51 -0.29 0.00 -0.02 0.00 0.00 54.58 53.76 1pco n ASN 26 Cb 0.00 0.07 -0.15 0.00 -2.36 0.00 0.00 39.78 37.34 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 1.54 4.07 0.76 0.00 -0.44 -0.66 -1.55 119.66 123.38 1pco s GLN 29 Ca 0.03 -0.13 -0.12 0.00 -2.50 0.00 0.00 55.36 52.64 1pco s GLN 29 Cb -0.18 -3.57 0.05 0.00 -1.64 0.00 0.00 33.01 27.67 1pco s GLN 29 CO 0.05 -0.03 1.11 -1.58 0.50 0.00 0.00 175.29 175.33 1pco s HIS 30 N 1.33 3.06 0.00 1.67 5.65 0.07 -1.23 115.29 125.84 1pco s HIS 30 Ca 0.11 1.04 0.00 0.00 0.25 0.00 0.00 55.06 56.46 1pco s HIS 30 Cb -0.14 -3.15 0.00 0.00 -1.18 0.00 0.00 32.58 28.11 1pco s HIS 30 CO 0.07 -1.52 0.00 -0.40 -0.65 0.00 0.00 174.74 172.24 1pco n ASP 31 N -3.23 0.00 -3.33 9.88 5.75 -1.21 -4.81 116.55 119.60 1pco n ASP 31 Ca 0.07 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.72 1pco n ASP 31 Cb 0.57 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.60 1pco n ASP 31 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1pco s THR 32 N 0.02 -0.49 0.00 2.12 -4.23 -1.26 -4.98 115.64 106.83 1pco s THR 32 Ca 0.00 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1pco s THR 32 Cb 0.00 -0.56 0.00 0.00 1.34 0.00 0.00 72.50 73.28 1pco s THR 32 CO 0.00 -0.45 0.00 -0.38 -0.54 0.00 0.00 174.62 173.25 1pco n ILE 33 N 4.35 0.00 0.00 2.99 5.41 -1.26 -4.88 119.36 125.97 1pco n ILE 33 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1pco n ILE 33 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 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 0.00 0.00 -3.15 1.39 7.94 -1.26 -5.09 117.00 116.83 1pco n LEU 34 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.92 1pco n LEU 34 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1pco n LEU 34 CO 0.00 0.00 0.14 -0.94 -1.11 0.00 0.00 177.39 175.48 1pco s SER 35 N -1.17 -1.41 -0.44 1.96 1.04 -1.26 -4.97 113.70 107.45 1pco s SER 35 Ca 0.00 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1pco s SER 35 Cb 0.00 1.81 0.17 0.00 0.10 0.00 0.00 66.02 68.11 1pco s SER 35 CO 0.00 -0.19 0.51 -0.22 0.98 0.00 0.00 173.24 174.32 1pco s LEU 36 N 2.14 -0.25 -0.17 2.42 2.96 -1.26 -5.05 118.68 119.48 1pco s LEU 36 Ca 0.15 -1.99 -0.06 0.00 -0.22 0.00 0.00 54.13 52.00 1pco s LEU 36 Cb -0.05 0.86 -0.04 0.00 0.50 0.00 0.00 46.19 47.46 1pco s LEU 36 CO -0.13 -0.15 0.05 -0.44 -1.32 0.00 0.00 176.35 174.35 1pco s SER 37 N 0.88 5.53 -0.03 3.68 0.01 -1.26 -3.31 113.70 119.20 1pco s SER 37 Ca 0.26 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.62 1pco s SER 37 Cb -0.04 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.29 1pco s SER 37 CO -0.09 0.20 -0.09 -0.60 0.41 0.00 0.00 173.24 173.07 1pco s ARG 38 N 0.18 1.06 0.52 12.44 3.52 -0.37 -1.67 118.95 134.63 1pco s ARG 38 Ca 0.04 -0.32 -0.22 0.00 -0.13 0.00 0.00 55.73 55.10 1pco s ARG 38 Cb -0.12 -0.98 -0.06 0.00 -1.56 0.00 0.00 34.95 32.23 1pco s ARG 38 CO 0.01 0.10 1.25 0.00 -0.81 0.00 0.00 175.30 175.85 1pco s ALA 40 N -1.45 1.85 0.39 0.00 0.00 -1.23 -0.40 121.76 120.92 1pco s ALA 40 Ca 0.69 -2.07 -0.20 0.00 0.00 0.00 0.00 51.96 50.37 1pco s ALA 40 Cb -0.34 1.47 -0.10 0.00 0.00 0.00 0.00 23.12 24.15 1pco s ALA 40 CO 0.40 -0.67 0.90 -0.51 0.00 0.00 0.00 175.76 175.88 1pco s LEU 41 N -3.38 4.02 0.54 0.00 1.43 -1.26 -4.84 118.68 115.19 1pco s LEU 41 Ca 0.40 1.62 -0.17 0.00 -1.03 0.00 0.00 54.13 54.95 1pco s LEU 41 Cb 0.02 -4.37 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 1pco s LEU 41 CO 0.28 -0.29 1.03 -0.54 0.23 0.00 0.00 176.35 177.06 1pco s LYS 42 N -2.99 3.61 0.62 1.70 1.02 -1.26 -4.72 119.74 117.72 1pco s LYS 42 Ca 0.59 1.18 -0.13 0.00 0.02 0.00 0.00 55.97 57.62 1pco s LYS 42 Cb -0.10 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1pco s LYS 42 CO 0.15 -0.57 1.04 0.00 -0.92 0.00 0.00 175.35 175.06 1pco s ALA 43 N -2.38 2.85 0.44 5.17 0.00 -0.38 -4.52 121.76 122.93 1pco s ALA 43 Ca 0.63 0.16 0.06 0.00 0.00 0.00 0.00 51.96 52.81 1pco s ALA 43 Cb -0.14 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1pco s ALA 43 CO 0.31 -0.82 0.08 1.03 0.00 0.00 0.00 175.76 176.36 1pco s ARG 44 N -4.60 2.10 0.14 0.00 0.52 -1.26 -1.76 118.95 114.08 1pco s ARG 44 Ca 0.59 -2.08 -0.34 0.00 -0.52 0.00 0.00 55.73 53.38 1pco s ARG 44 Cb -0.13 -1.75 -0.16 0.00 0.52 0.00 0.00 34.95 33.43 1pco s ARG 44 CO 0.45 -0.16 1.25 -1.91 0.02 0.00 0.00 175.30 174.95 1pco n GLU 45 N -1.15 1.19 -1.19 3.54 2.13 -1.26 -2.05 120.64 121.85 1pco n GLU 45 Ca -0.06 0.43 -0.06 0.00 0.66 0.00 0.00 57.16 58.12 1pco n GLU 45 Cb 0.66 -2.00 -0.03 0.00 0.27 0.00 0.00 31.44 30.35 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 2.26 -3.94 -4.55 4.31 4.13 -0.47 -4.98 115.26 112.02 1pco n ASN 46 Ca 0.16 0.16 -0.28 0.00 1.68 0.00 0.00 54.58 56.30 1pco n ASN 46 Cb 0.22 -2.01 -0.10 0.00 -1.54 0.00 0.00 39.78 36.35 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 -2.78 4.20 -0.65 6.41 0.15 -0.87 -4.90 113.70 115.25 1pco s SER 47 Ca 0.00 -0.51 -0.27 0.00 0.70 0.00 0.00 55.95 55.87 1pco s SER 47 Cb 0.00 -0.71 0.01 0.00 -1.71 0.00 0.00 66.02 63.62 1pco s SER 47 CO 0.00 0.15 1.44 -1.61 1.20 0.00 0.00 173.24 174.42 1pco s GLU 48 N -2.43 3.12 0.20 5.44 2.02 -1.26 -1.56 118.70 124.22 1pco s GLU 48 Ca 0.22 0.17 0.02 0.00 0.02 0.00 0.00 54.97 55.40 1pco s GLU 48 Cb -0.10 -4.20 -0.03 0.00 0.10 0.00 0.00 34.13 29.89 1pco s GLU 48 CO 0.13 -2.19 0.34 0.00 0.02 0.00 0.00 175.26 173.56 1pco s SER 50 N -3.47 6.28 -0.02 0.00 0.15 -0.84 -1.18 113.70 114.61 1pco s SER 50 Ca 0.35 -0.92 -0.23 0.00 0.70 0.00 0.00 55.95 55.85 1pco s SER 50 Cb -0.10 -2.52 -0.21 0.00 -1.71 0.00 0.00 66.02 61.48 1pco s SER 50 CO 0.29 -1.62 1.14 0.00 1.20 0.00 0.00 173.24 174.25 1pco h ALA 51 N 9.78 0.08 -2.39 5.45 0.00 -1.85 -3.36 119.26 126.97 1pco h ALA 51 Ca -0.14 -0.41 -0.51 0.00 0.00 0.00 0.00 54.91 53.85 1pco h ALA 51 Cb 1.04 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1pco h ALA 51 CO 1.28 0.06 -0.02 -0.59 0.00 0.00 0.00 179.25 179.98 1pco s PHE 52 N -3.55 3.45 0.06 0.00 -0.71 -1.26 -5.02 117.98 110.95 1pco s PHE 52 Ca -0.15 0.90 0.07 0.00 -1.04 0.00 0.00 56.93 56.71 1pco s PHE 52 Cb 0.02 -2.31 -0.03 0.00 -1.21 0.00 0.00 43.02 39.50 1pco s PHE 52 CO 0.74 0.09 -0.19 0.95 -1.34 0.00 0.00 175.22 175.47 1pco s THR 53 N -2.11 1.53 -0.17 -4.49 -4.23 -1.26 -5.05 115.64 99.85 1pco s THR 53 Ca 0.48 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.63 1pco s THR 53 Cb -0.11 -1.36 -0.07 0.00 1.34 0.00 0.00 72.50 72.30 1pco s THR 53 CO 0.27 0.07 -0.25 0.00 -0.54 0.00 0.00 174.62 174.16 1pco n LEU 54 N 1.62 1.49 0.08 4.79 -0.00 -1.26 -5.04 117.00 118.68 1pco n LEU 54 Ca -0.18 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1pco n LEU 54 Cb 0.54 -0.60 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 1pco n LEU 54 CO 0.23 0.16 0.00 0.00 -0.00 0.00 0.00 177.39 177.78 1pco n TYR 55 N -3.98 -2.98 0.00 1.47 9.36 -1.26 -5.15 117.16 114.63 1pco n TYR 55 Ca -0.30 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.50 1pco n TYR 55 Cb 0.65 1.71 0.00 0.00 -0.63 0.00 0.00 39.34 41.07 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 1.23 3.43 2.98 0.00 -1.26 -4.62 105.19 105.57 1pco n GLY 56 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 2.78 -0.07 1.61 1.01 -1.26 -0.53 120.40 123.94 1pco s VAL 57 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1pco s VAL 57 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1pco s VAL 57 CO 0.00 0.58 -0.19 -0.31 0.00 0.00 0.00 175.10 175.18 1pco s TYR 58 N -0.71 2.60 0.18 5.22 2.02 -0.59 -4.88 117.35 121.18 1pco s TYR 58 Ca 0.11 -0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.19 1pco s TYR 58 Cb -0.10 -1.66 0.08 0.00 -0.40 0.00 0.00 41.96 39.88 1pco s TYR 58 CO 0.00 -0.08 1.70 1.88 -1.57 0.00 0.00 175.55 177.48 1pco h TYR 59 N 5.95 1.03 -2.84 2.71 0.05 -1.87 0.22 116.97 122.21 1pco h TYR 59 Ca -0.36 -0.12 -0.39 0.00 0.05 0.00 0.00 58.73 57.91 1pco h TYR 59 Cb 1.17 -0.29 -0.39 0.00 1.01 0.00 0.00 36.73 38.23 1pco h TYR 59 CO 0.46 0.86 -0.70 0.15 -1.05 0.00 0.00 178.16 177.89 1pco s LYS 60 N -5.35 0.11 0.98 4.88 -0.14 -1.26 -4.58 119.74 114.38 1pco s LYS 60 Ca -0.12 0.07 -0.13 0.00 -1.36 0.00 0.00 55.97 54.42 1pco s LYS 60 Cb 0.13 -1.50 0.06 0.00 -1.68 0.00 0.00 37.83 34.85 1pco s LYS 60 CO 0.82 -0.64 0.41 0.00 -0.76 0.00 0.00 175.35 175.18 1pco n PRO 62 N -1.99 -2.26 -2.35 0.00 -0.02 -1.26 -3.34 135.00 123.78 1pco n PRO 62 Ca 0.06 -0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 60.53 1pco n PRO 62 Cb 0.55 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 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 -2.82 2.58 0.45 0.00 -1.05 -0.72 -4.75 118.70 112.40 1pco s GLU 64 Ca 0.64 1.67 0.33 0.00 -0.15 0.00 0.00 54.97 57.47 1pco s GLU 64 Cb -0.25 -1.90 1.51 0.00 -0.44 0.00 0.00 34.13 33.05 1pco s GLU 64 CO 0.30 -1.47 1.59 -0.09 0.95 0.00 0.00 175.26 176.53 1pco h ARG 65 N 0.16 0.02 0.00 -4.83 2.43 -1.96 -1.87 114.38 108.33 1pco h ARG 65 Ca -0.48 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.64 1pco h ARG 65 Cb 1.28 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1pco h ARG 65 CO 0.53 0.01 -0.21 0.78 -1.51 0.00 0.00 179.97 179.56 1pco h GLY 66 N 0.02 0.00 -2.42 2.80 0.00 -1.99 -3.47 103.07 98.00 1pco h GLY 66 Ca 0.88 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.88 1pco h GLY 66 CO -0.43 0.00 -0.62 0.48 0.00 0.00 0.00 176.54 175.97 1pco s LEU 67 N -7.14 1.63 0.23 3.11 2.34 -0.71 -4.98 118.68 113.17 1pco s LEU 67 Ca -0.01 -1.36 0.03 0.00 0.06 0.00 0.00 54.13 52.85 1pco s LEU 67 Cb 0.12 0.06 -0.03 0.00 -0.56 0.00 0.00 46.19 45.78 1pco s LEU 67 CO 0.63 -0.72 0.38 0.28 -1.06 0.00 0.00 176.35 175.85 1pco s THR 68 N -3.80 5.24 -0.17 5.48 -1.32 -0.43 -4.53 115.64 116.10 1pco s THR 68 Ca 0.36 -0.76 -0.15 0.00 -1.21 0.00 0.00 61.69 59.93 1pco s THR 68 Cb 0.07 -3.82 -0.04 0.00 -1.51 0.00 0.00 72.50 67.20 1pco s THR 68 CO 0.12 -0.29 0.36 0.00 -2.21 0.00 0.00 174.62 172.60 1pco s GLU 70 N 0.80 3.12 0.00 0.00 2.12 -0.01 -4.91 118.70 119.82 1pco s GLU 70 Ca 0.19 -1.29 0.00 0.00 0.36 0.00 0.00 54.97 54.22 1pco s GLU 70 Cb -0.14 -4.31 0.00 0.00 0.26 0.00 0.00 34.13 29.94 1pco s GLU 70 CO 0.06 -1.61 0.19 0.41 -0.54 0.00 0.00 175.26 173.77 1pco n GLY 71 N 5.26 0.64 3.50 -1.50 0.00 -1.26 -2.51 105.19 109.32 1pco n GLY 71 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 1.87 6.89 0.00 1.61 1.01 -1.26 -4.93 116.67 121.85 1pco s ASP 72 Ca 0.00 -2.55 -0.05 0.00 0.71 0.00 0.00 52.55 50.66 1pco s ASP 72 Cb 0.00 -2.46 -0.21 0.00 1.01 0.00 0.00 42.92 41.26 1pco s ASP 72 CO 0.00 -0.98 2.96 2.29 0.21 0.00 0.00 175.17 179.66 1pco n LYS 73 N 6.78 1.58 0.00 8.23 -0.00 -1.26 -4.13 118.16 129.36 1pco n LYS 73 Ca 0.37 -0.76 0.00 0.00 -0.00 0.00 0.00 58.31 57.92 1pco n LYS 73 Cb 0.45 -1.85 0.00 0.00 -0.00 0.00 0.00 35.03 33.63 1pco n LYS 73 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1pco n SER 74 N 2.52 0.00 0.00 -5.58 2.88 -1.24 -3.80 113.62 108.41 1pco n SER 74 Ca 0.33 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1pco n SER 74 Cb 0.73 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1pco n SER 74 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1pco n LEU 75 N 0.00 0.00 -4.43 2.46 7.94 -1.26 -4.74 117.00 116.97 1pco n LEU 75 Ca 0.00 0.00 -0.44 0.00 -1.11 0.00 0.00 56.01 54.46 1pco n LEU 75 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1pco n LEU 75 CO 0.00 0.00 1.61 0.52 -1.11 0.00 0.00 177.39 178.41 1pco n VAL 76 N 0.00 4.17 -2.78 1.96 0.31 -1.26 -4.66 118.33 116.07 1pco n VAL 76 Ca 0.00 -4.51 -0.08 0.00 -0.01 0.00 0.00 64.34 59.73 1pco n VAL 76 Cb 0.00 -2.43 0.03 0.00 -0.91 0.00 0.00 33.84 30.53 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 4.29 0.05 3.33 2.92 0.00 -1.26 -5.02 105.19 109.50 1pco n GLY 77 Ca 0.40 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 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 1.97 -3.69 -3.72 1.61 2.88 -1.26 -3.43 113.62 107.99 1pco n SER 78 Ca 0.12 -0.37 -0.25 0.00 -1.33 0.00 0.00 58.87 57.05 1pco n SER 78 Cb 0.61 -3.06 0.01 0.00 -0.75 0.00 0.00 64.21 61.01 1pco n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pco n ILE 79 N -3.91 -4.46 -4.42 2.46 0.00 -1.26 -5.02 119.36 102.74 1pco n ILE 79 Ca -0.02 -0.21 -0.25 0.00 0.00 0.00 0.00 62.75 62.28 1pco n ILE 79 Cb 0.54 -3.55 -0.09 0.00 0.00 0.00 0.00 39.64 36.54 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 -3.10 2.55 -1.98 9.51 -4.23 -1.22 -5.06 115.64 112.10 1pco s THR 80 Ca 0.11 -2.11 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1pco s THR 80 Cb -0.05 -2.68 0.46 0.00 1.34 0.00 0.00 72.50 71.57 1pco s THR 80 CO 0.88 -0.24 1.38 -0.46 -0.54 0.00 0.00 174.62 175.64 1pco n ASN 81 N -0.85 0.00 -4.04 3.99 6.94 -1.26 -4.55 115.26 115.49 1pco n ASN 81 Ca -0.05 -0.49 -0.43 0.00 -0.02 0.00 0.00 54.58 53.59 1pco n ASN 81 Cb 0.62 -0.01 0.01 0.00 -2.36 0.00 0.00 39.78 38.04 1pco n ASN 81 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1pco n THR 82 N -1.01 5.07 -2.93 5.53 -2.24 -1.26 -4.91 114.28 112.53 1pco n THR 82 Ca 0.12 -5.61 -0.44 0.00 -2.27 0.00 0.00 64.05 55.85 1pco n THR 82 Cb 0.06 -2.20 0.00 0.00 -2.10 0.00 0.00 70.33 66.10 1pco n THR 82 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1pco n ASN 83 N 1.99 5.72 -4.32 3.42 2.04 -1.26 -4.66 115.26 118.19 1pco n ASN 83 Ca 0.28 -3.19 -0.29 0.00 -0.44 0.00 0.00 54.58 50.95 1pco n ASN 83 Cb 0.35 -1.39 -0.14 0.00 -2.53 0.00 0.00 39.78 36.06 1pco n ASN 83 CO 0.00 0.00 0.00 -0.36 -0.44 0.00 0.00 177.26 176.46 1pco s PHE 84 N -1.04 2.17 0.10 -2.53 0.08 -1.25 -4.70 117.98 110.82 1pco s PHE 84 Ca 0.35 -0.40 0.05 0.00 0.12 0.00 0.00 56.93 57.04 1pco s PHE 84 Cb 0.01 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1pco s PHE 84 CO 0.02 0.13 0.04 0.20 -0.10 0.00 0.00 175.22 175.51 1pco s GLY 85 N -1.29 1.90 -0.06 4.36 0.00 -0.33 -3.61 107.32 108.30 1pco s GLY 85 Ca 0.11 -1.12 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 1pco s GLY 85 CO 0.02 -1.11 0.44 -0.42 0.00 0.00 0.00 173.10 172.04 1pco s ILE 86 N -1.42 5.09 0.05 0.90 -1.09 -1.04 -1.15 121.20 122.53 1pco s ILE 86 Ca 0.27 0.90 -0.30 0.00 -2.23 0.00 0.00 60.65 59.29 1pco s ILE 86 Cb -0.11 -3.77 -0.08 0.00 -1.58 0.00 0.00 42.46 36.92 1pco s ILE 86 CO 0.20 0.45 1.72 0.00 -1.23 0.00 0.00 174.94 176.08 1pco s HIS 88 N 3.12 0.13 -1.14 0.00 3.76 0.09 -1.36 115.29 119.89 1pco s HIS 88 Ca 0.77 -0.32 -0.10 0.00 -0.15 0.00 0.00 55.06 55.26 1pco s HIS 88 Cb -0.40 -0.10 0.26 0.00 1.11 0.00 0.00 32.58 33.45 1pco s HIS 88 CO 0.34 -0.30 1.19 -1.71 -0.85 0.00 0.00 174.74 173.40 1pco n ASN 89 N 1.23 5.49 -3.99 1.40 5.15 -1.26 -1.32 115.26 121.96 1pco n ASN 89 Ca -0.22 -3.04 -0.39 0.00 -0.60 0.00 0.00 54.58 50.33 1pco n ASN 89 Cb 0.56 -1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 38.38 1pco n ASN 89 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pco n VAL 90 N 2.99 4.19 -1.26 3.44 0.31 -1.26 -4.97 118.33 121.77 1pco n VAL 90 Ca 0.26 -5.54 -0.35 0.00 -0.01 0.00 0.00 64.34 58.71 1pco n VAL 90 Cb 0.40 -2.24 -0.05 0.00 -0.91 0.00 0.00 33.84 31.03 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 1.71 4.05 3.41 2.92 0.00 -1.26 -4.88 105.19 111.14 1pco n GLY 91 Ca 0.25 -1.45 -0.45 0.00 0.00 0.00 0.00 46.02 44.38 1pco n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pco s ARG 92 N 2.01 4.00 0.00 1.61 3.52 -1.26 -5.27 118.95 123.56 1pco s ARG 92 Ca 0.69 -2.64 0.25 0.00 -0.13 0.00 0.00 55.73 53.90 1pco s ARG 92 Cb 0.20 -4.83 1.47 0.00 -1.56 0.00 0.00 34.95 30.23 1pco s ARG 92 CO -0.05 -1.57 1.83 0.45 -0.81 0.00 0.00 175.30 175.16