#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3t n SER 2 N 0.00 0.00 -4.68 1.61 2.88 -1.26 -4.73 113.62 107.43 1j3t n SER 2 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1j3t n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1j3t n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1j3t s SER 3 N -1.00 6.42 0.09 -3.46 0.01 -1.26 -4.90 113.70 109.60 1j3t s SER 3 Ca 0.00 2.75 -0.23 0.00 1.31 0.00 0.00 55.95 59.78 1j3t s SER 3 Cb 0.00 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.75 1j3t s SER 3 CO 0.00 -1.02 1.08 0.61 0.41 0.00 0.00 173.24 174.32 1j3t n GLY 4 N 4.31 0.46 0.70 3.44 0.00 -1.26 -5.13 105.19 107.71 1j3t n GLY 4 Ca 0.18 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 45.20 1j3t n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j3t n SER 5 N -1.16 -4.19 -4.05 1.61 2.88 -1.26 -5.04 113.62 102.41 1j3t n SER 5 Ca 0.01 0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 57.82 1j3t n SER 5 Cb 0.55 -2.20 -0.12 0.00 -0.75 0.00 0.00 64.21 61.69 1j3t n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1j3t s SER 6 N -5.38 0.81 -0.70 -3.46 0.01 -1.26 -4.93 113.70 98.80 1j3t s SER 6 Ca 0.00 -0.49 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 1j3t s SER 6 Cb 0.00 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1j3t s SER 6 CO 0.00 -0.17 0.67 0.61 0.41 0.00 0.00 173.24 174.76 1j3t n GLY 7 N 1.67 -1.22 2.52 3.44 0.00 -1.26 -5.02 105.19 105.31 1j3t n GLY 7 Ca -0.21 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1j3t n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3t s VAL 8 N -2.89 0.07 0.00 1.61 -7.23 -1.26 -4.98 120.40 105.72 1j3t s VAL 8 Ca 0.05 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 1j3t s VAL 8 Cb -0.01 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.86 1j3t s VAL 8 CO 0.78 -0.84 0.74 1.21 -0.31 0.00 0.00 175.10 176.68 1j3t n GLU 9 N 4.71 0.00 -0.30 4.82 2.13 -1.26 -5.13 120.64 125.61 1j3t n GLU 9 Ca 0.02 -0.52 0.04 0.00 0.66 0.00 0.00 57.16 57.36 1j3t n GLU 9 Cb 0.40 -0.27 -0.01 0.00 0.27 0.00 0.00 31.44 31.83 1j3t n GLU 9 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1j3t n ASN 10 N 0.00 -3.00 -4.75 4.31 2.85 -1.26 -4.84 115.26 108.56 1j3t n ASN 10 Ca 0.00 0.32 -0.36 0.00 -0.11 0.00 0.00 54.58 54.44 1j3t n ASN 10 Cb 0.60 -0.91 0.04 0.00 1.24 0.00 0.00 39.78 40.75 1j3t n ASN 10 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1j3t s LEU 11 N 0.00 3.62 -0.01 1.20 2.96 -1.25 -4.86 118.68 120.34 1j3t s LEU 11 Ca 0.00 2.34 0.05 0.00 -0.22 0.00 0.00 54.13 56.30 1j3t s LEU 11 Cb 0.00 -4.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.08 1j3t s LEU 11 CO 0.00 -1.62 -0.17 -0.54 -1.32 0.00 0.00 176.35 172.70 1j3t s LYS 12 N -3.43 1.38 -0.06 1.98 1.02 -1.26 -0.14 119.74 119.23 1j3t s LYS 12 Ca 0.76 -0.60 0.01 0.00 0.02 0.00 0.00 55.97 56.16 1j3t s LYS 12 Cb -0.29 -1.32 0.02 0.00 -0.52 0.00 0.00 37.83 35.72 1j3t s LYS 12 CO 0.34 0.35 -0.04 0.00 -0.92 0.00 0.00 175.35 175.08 1j3t s ALA 13 N -0.37 0.78 -0.18 5.17 0.00 -0.88 -2.92 121.76 123.36 1j3t s ALA 13 Ca 0.06 -0.14 -0.26 0.00 0.00 0.00 0.00 51.96 51.62 1j3t s ALA 13 Cb -0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1j3t s ALA 13 CO -0.01 -0.13 0.88 -1.14 0.00 0.00 0.00 175.76 175.36 1j3t s GLN 14 N 1.18 4.29 0.40 0.00 0.74 0.39 -2.94 119.66 123.73 1j3t s GLN 14 Ca -0.07 1.09 -0.27 0.00 0.05 0.00 0.00 55.36 56.17 1j3t s GLN 14 Cb -0.14 -3.59 -0.10 0.00 1.10 0.00 0.00 33.01 30.28 1j3t s GLN 14 CO -0.01 -0.39 1.46 0.00 -0.55 0.00 0.00 175.29 175.80 1j3t n ALA 15 N 5.45 2.24 0.74 1.58 0.00 0.20 -1.03 120.51 129.69 1j3t n ALA 15 Ca 0.06 0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.91 1j3t n ALA 15 Cb 0.48 -2.41 -0.09 0.00 0.00 0.00 0.00 19.45 17.44 1j3t n ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j3t n LEU 16 N 0.22 0.72 -3.88 0.00 4.77 -0.24 -1.05 117.00 117.54 1j3t n LEU 16 Ca 0.03 -0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 55.63 1j3t n LEU 16 Cb 0.40 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1j3t n LEU 16 CO 0.62 0.17 0.42 0.00 -1.33 0.00 0.00 177.39 177.27 1j3t s SER 18 N -2.94 7.35 -0.20 0.00 1.04 -1.26 -3.22 113.70 114.46 1j3t s SER 18 Ca 0.13 2.01 -0.15 0.00 0.48 0.00 0.00 55.95 58.42 1j3t s SER 18 Cb -0.05 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.53 1j3t s SER 18 CO 0.08 -0.07 0.51 0.86 0.98 0.00 0.00 173.24 175.60 1j3t s TRP 19 N -1.36 -0.67 0.77 5.02 -0.00 -0.46 -4.92 118.94 117.31 1j3t s TRP 19 Ca 0.47 1.49 -0.11 0.00 -0.00 0.00 0.00 56.10 57.94 1j3t s TRP 19 Cb -0.25 0.30 0.05 0.00 -0.00 0.00 0.00 33.47 33.57 1j3t s TRP 19 CO 0.31 -0.34 1.09 0.95 -0.00 0.00 0.00 176.95 178.96 1j3t s THR 20 N 0.89 3.25 -0.04 5.86 -4.23 -1.26 -1.83 115.64 118.28 1j3t s THR 20 Ca -0.05 0.41 -0.23 0.00 -1.18 0.00 0.00 61.69 60.63 1j3t s THR 20 Cb -0.05 -3.21 -0.24 0.00 1.34 0.00 0.00 72.50 70.34 1j3t s THR 20 CO -0.07 -0.53 1.03 0.00 -0.54 0.00 0.00 174.62 174.51 1j3t h ALA 21 N -0.96 0.04 -0.19 3.99 0.00 -1.87 -3.43 119.26 116.84 1j3t h ALA 21 Ca -0.46 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1j3t h ALA 21 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1j3t h ALA 21 CO 0.60 0.16 0.00 1.63 0.00 0.00 0.00 179.25 181.65 1j3t n LYS 22 N -4.42 0.00 -1.57 0.00 5.02 -1.26 -4.67 118.16 111.27 1j3t n LYS 22 Ca -0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.90 1j3t n LYS 22 Cb 0.56 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.71 1j3t n LYS 22 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1j3t s LYS 23 N 0.00 1.07 -0.01 1.97 -0.14 -1.26 -5.00 119.74 116.37 1j3t s LYS 23 Ca 0.00 0.22 -0.25 0.00 -1.36 0.00 0.00 55.97 54.58 1j3t s LYS 23 Cb 0.00 -1.84 -0.19 0.00 -1.68 0.00 0.00 37.83 34.12 1j3t s LYS 23 CO 0.00 -2.23 1.31 -0.44 -0.76 0.00 0.00 175.35 173.23 1j3t h ASP 24 N -1.52 0.03 0.00 2.83 3.32 -2.00 -3.32 116.42 115.76 1j3t h ASP 24 Ca -0.50 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.11 1j3t h ASP 24 Cb 1.32 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1j3t h ASP 24 CO 0.60 0.47 0.00 0.59 -1.72 0.00 0.00 179.24 179.18 1j3t n ASN 25 N -4.85 0.00 -4.91 6.45 4.13 -1.26 -4.77 115.26 110.05 1j3t n ASN 25 Ca -0.08 -1.15 -0.30 0.00 1.68 0.00 0.00 54.58 54.73 1j3t n ASN 25 Cb 0.24 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.44 1j3t n ASN 25 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1j3t s HIS 26 N -2.00 3.48 0.44 3.10 3.76 -1.25 -0.34 115.29 122.48 1j3t s HIS 26 Ca 0.13 0.21 -0.16 0.00 -0.15 0.00 0.00 55.06 55.09 1j3t s HIS 26 Cb 0.06 -1.73 -0.09 0.00 1.11 0.00 0.00 32.58 31.93 1j3t s HIS 26 CO 0.10 0.57 0.89 -1.17 -0.85 0.00 0.00 174.74 174.28 1j3t s LEU 27 N -2.63 3.83 -0.03 0.89 1.98 -0.25 -4.44 118.68 118.03 1j3t s LEU 27 Ca 0.34 1.46 0.06 0.00 -2.89 0.00 0.00 54.13 53.10 1j3t s LEU 27 Cb -0.13 -4.34 -0.01 0.00 0.66 0.00 0.00 46.19 42.37 1j3t s LEU 27 CO 0.28 -0.42 -0.20 0.54 -1.89 0.00 0.00 176.35 174.66 1j3t s ASN 28 N -2.71 2.40 0.32 3.68 2.20 -1.26 -4.04 114.94 115.53 1j3t s ASN 28 Ca 0.57 -0.38 -0.03 0.00 -0.94 0.00 0.00 52.86 52.09 1j3t s ASN 28 Cb -0.10 -0.44 -0.00 0.00 -2.00 0.00 0.00 41.25 38.71 1j3t s ASN 28 CO 0.24 0.22 0.43 0.72 -2.94 0.00 0.00 177.10 175.77 1j3t s PHE 29 N -0.28 1.06 0.42 1.54 -0.12 -0.76 -4.92 117.98 114.92 1j3t s PHE 29 Ca 0.03 -1.27 0.05 0.00 -0.05 0.00 0.00 56.93 55.68 1j3t s PHE 29 Cb -0.10 -0.14 -0.06 0.00 -0.63 0.00 0.00 43.02 42.10 1j3t s PHE 29 CO 0.01 -1.06 0.02 -1.12 -0.05 0.00 0.00 175.22 173.02 1j3t s SER 30 N -3.22 3.65 -0.01 1.98 0.01 -1.26 -1.35 113.70 113.49 1j3t s SER 30 Ca 0.31 -1.47 -0.30 0.00 1.31 0.00 0.00 55.95 55.80 1j3t s SER 30 Cb 0.00 -0.04 -0.06 0.00 0.21 0.00 0.00 66.02 66.13 1j3t s SER 30 CO 0.19 -0.62 1.65 -0.75 0.41 0.00 0.00 173.24 174.12 1j3t s LYS 31 N -3.78 4.19 0.00 12.44 2.20 -1.20 -2.16 119.74 131.43 1j3t s LYS 31 Ca 0.26 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 58.10 1j3t s LYS 31 Cb 0.07 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1j3t s LYS 31 CO 0.13 -0.79 0.00 0.72 -0.36 0.00 0.00 175.35 175.05 1j3t n HIS 32 N 6.55 0.00 -1.13 4.03 8.25 -0.22 -4.90 115.22 127.79 1j3t n HIS 32 Ca 0.17 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.32 1j3t n HIS 32 Cb 0.42 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.65 1j3t n HIS 32 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1j3t s ASP 33 N -2.28 3.98 -0.15 0.41 1.11 -0.92 -4.71 116.67 114.12 1j3t s ASP 33 Ca 0.00 1.83 0.01 0.00 0.18 0.00 0.00 52.55 54.57 1j3t s ASP 33 Cb 0.00 -2.47 -0.00 0.00 1.07 0.00 0.00 42.92 41.52 1j3t s ASP 33 CO 0.00 -2.37 -0.17 -0.63 1.18 0.00 0.00 175.17 173.18 1j3t s ILE 34 N -2.85 2.55 -0.04 0.77 -1.09 -1.26 -0.63 121.20 118.65 1j3t s ILE 34 Ca 0.63 -0.81 0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1j3t s ILE 34 Cb -0.18 -2.06 -0.00 0.00 -1.58 0.00 0.00 42.46 38.63 1j3t s ILE 34 CO 0.57 0.52 -0.16 -0.63 -1.23 0.00 0.00 174.94 174.01 1j3t s ILE 35 N 0.76 1.33 -0.33 2.92 1.09 -1.15 -4.84 121.20 120.98 1j3t s ILE 35 Ca -0.07 -0.67 -0.29 0.00 -1.10 0.00 0.00 60.65 58.53 1j3t s ILE 35 Cb -0.16 -1.14 -0.01 0.00 -1.06 0.00 0.00 42.46 40.09 1j3t s ILE 35 CO 0.01 0.39 1.66 -0.89 -0.10 0.00 0.00 174.94 176.00 1j3t s THR 36 N -0.00 3.64 0.42 2.92 2.01 -0.48 -2.07 115.64 122.08 1j3t s THR 36 Ca -0.02 0.66 -0.23 0.00 0.31 0.00 0.00 61.69 62.41 1j3t s THR 36 Cb -0.10 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.50 1j3t s THR 36 CO 0.02 -0.49 1.04 -0.69 -0.69 0.00 0.00 174.62 173.80 1j3t s VAL 37 N 6.17 3.79 0.00 3.82 1.01 0.80 -0.47 120.40 135.51 1j3t s VAL 37 Ca 0.73 1.29 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1j3t s VAL 37 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1j3t s VAL 37 CO 0.33 -0.07 0.00 0.18 0.00 0.00 0.00 175.10 175.54 1j3t n LEU 38 N -0.31 0.00 -4.76 3.92 4.77 0.12 -3.81 117.00 116.94 1j3t n LEU 38 Ca 0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 1j3t n LEU 38 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1j3t n LEU 38 CO 0.43 -0.35 -0.25 -0.70 -1.33 0.00 0.00 177.39 175.19 1j3t s GLU 39 N -0.70 2.75 -0.18 3.23 2.56 -0.97 -4.93 118.70 120.46 1j3t s GLU 39 Ca 0.00 -0.97 -0.05 0.00 0.00 0.00 0.00 54.97 53.96 1j3t s GLU 39 Cb 0.00 -2.54 0.07 0.00 2.00 0.00 0.00 34.13 33.65 1j3t s GLU 39 CO 0.00 0.47 0.12 -0.65 -0.56 0.00 0.00 175.26 174.63 1j3t s GLN 40 N -3.14 0.09 0.00 4.30 -0.21 -1.26 -0.40 119.66 119.05 1j3t s GLN 40 Ca 0.30 -0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.63 1j3t s GLN 40 Cb -0.10 -1.67 0.00 0.00 1.00 0.00 0.00 33.01 32.24 1j3t s GLN 40 CO 0.22 -0.69 0.00 1.04 -2.12 0.00 0.00 175.29 173.74 1j3t n GLN 41 N 5.29 0.10 -0.41 2.91 1.13 0.35 -4.95 117.38 121.79 1j3t n GLN 41 Ca -0.07 0.00 0.39 0.00 -1.94 0.00 0.00 57.00 55.38 1j3t n GLN 41 Cb 0.49 0.00 0.62 0.00 0.11 0.00 0.00 30.24 31.46 1j3t n GLN 41 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1j3t h GLU 42 N 0.00 0.00 0.00 -1.09 4.11 -2.03 -3.38 114.58 112.19 1j3t h GLU 42 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1j3t h GLU 42 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1j3t h GLU 42 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 179.01 177.37 1j3t n ASN 43 N -3.59 0.00 -4.71 3.06 2.85 -1.26 -5.09 115.26 106.52 1j3t n ASN 43 Ca 0.31 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 54.36 1j3t n ASN 43 Cb 1.68 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 42.67 1j3t n ASN 43 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1j3t s TRP 44 N -0.98 3.20 0.10 1.20 0.52 -1.26 -0.93 118.94 120.79 1j3t s TRP 44 Ca 0.00 0.97 0.08 0.00 0.02 0.00 0.00 56.10 57.17 1j3t s TRP 44 Cb 0.00 -3.65 -0.04 0.00 -1.15 0.00 0.00 33.47 28.64 1j3t s TRP 44 CO 0.00 -2.26 -0.17 -1.58 0.02 0.00 0.00 176.95 172.95 1j3t s TRP 45 N 1.33 2.55 0.12 -1.98 0.51 0.43 -0.49 118.94 121.41 1j3t s TRP 45 Ca 0.64 -0.25 -0.07 0.00 -2.12 0.00 0.00 56.10 54.29 1j3t s TRP 45 Cb -0.35 -1.37 -0.06 0.00 -0.81 0.00 0.00 33.47 30.88 1j3t s TRP 45 CO 0.29 0.37 0.40 0.12 -0.51 0.00 0.00 176.95 177.62 1j3t s PHE 46 N -1.11 3.52 0.14 -1.98 5.36 0.46 -0.46 117.98 123.91 1j3t s PHE 46 Ca 0.18 0.68 -0.24 0.00 -0.96 0.00 0.00 56.93 56.59 1j3t s PHE 46 Cb -0.11 -2.09 0.08 0.00 -0.34 0.00 0.00 43.02 40.56 1j3t s PHE 46 CO 0.10 0.46 1.10 0.20 -1.46 0.00 0.00 175.22 175.61 1j3t s GLY 47 N -2.12 0.06 -0.04 13.12 0.00 -0.56 -0.70 107.32 117.08 1j3t s GLY 47 Ca 0.38 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.83 1j3t s GLY 47 CO 0.21 3.23 0.06 1.85 0.00 0.00 0.00 173.10 178.46 1j3t s GLU 48 N -2.12 -0.04 0.00 2.90 2.12 0.37 -1.65 118.70 120.28 1j3t s GLU 48 Ca 0.24 0.31 -0.12 0.00 0.36 0.00 0.00 54.97 55.76 1j3t s GLU 48 Cb -0.02 -0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.03 1j3t s GLU 48 CO 0.04 -0.25 0.25 0.54 -0.54 0.00 0.00 175.26 175.30 1j3t s VAL 49 N 1.64 0.07 -1.42 3.70 0.11 0.00 -1.38 120.40 123.12 1j3t s VAL 49 Ca -0.02 -0.61 -0.08 0.00 -2.93 0.00 0.00 61.98 58.34 1j3t s VAL 49 Cb -0.12 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 1j3t s VAL 49 CO -0.03 -0.33 0.29 1.41 -3.33 0.00 0.00 175.10 173.10 1j3t n HIS 50 N 1.19 -1.42 -2.22 1.54 8.25 -1.26 -1.75 115.22 119.54 1j3t n HIS 50 Ca -0.21 0.53 -0.20 0.00 -0.26 0.00 0.00 57.72 57.57 1j3t n HIS 50 Cb 0.56 -3.08 -0.03 0.00 1.12 0.00 0.00 29.99 28.57 1j3t n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1j3t n GLY 51 N -2.28 0.06 3.11 -1.41 0.00 -1.26 -4.97 105.19 98.44 1j3t n GLY 51 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.68 1j3t n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j3t s GLY 52 N -2.20 0.35 0.30 -0.02 0.00 -0.72 -5.18 107.32 99.84 1j3t s GLY 52 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.82 1j3t s GLY 52 CO 0.00 -1.10 -0.06 0.50 0.00 0.00 0.00 173.10 172.44 1j3t s ARG 53 N -3.57 1.62 0.00 2.90 0.52 -1.26 -0.82 118.95 118.34 1j3t s ARG 53 Ca 0.03 -1.83 0.00 0.00 -0.52 0.00 0.00 55.73 53.41 1j3t s ARG 53 Cb 0.05 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.26 1j3t s ARG 53 CO -0.09 0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.68 1j3t n GLY 54 N -0.64 -0.13 3.89 -3.53 0.00 -0.66 -4.41 105.19 99.71 1j3t n GLY 54 Ca -0.05 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1j3t n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j3t s TRP 55 N -2.00 3.46 -0.23 1.61 0.52 0.54 -1.50 118.94 121.35 1j3t s TRP 55 Ca 0.00 0.80 -0.26 0.00 0.02 0.00 0.00 56.10 56.67 1j3t s TRP 55 Cb 0.00 -2.23 0.07 0.00 -1.15 0.00 0.00 33.47 30.16 1j3t s TRP 55 CO 0.00 0.11 0.71 -0.59 0.02 0.00 0.00 176.95 177.20 1j3t s PHE 56 N -2.11 -0.76 0.21 -1.98 -0.71 0.40 -1.09 117.98 111.94 1j3t s PHE 56 Ca 0.47 1.77 -0.30 0.00 -1.04 0.00 0.00 56.93 57.83 1j3t s PHE 56 Cb -0.11 0.29 -0.09 0.00 -1.21 0.00 0.00 43.02 41.91 1j3t s PHE 56 CO 0.28 -0.42 1.31 -2.14 -1.34 0.00 0.00 175.22 172.91 1j3t s PRO 57 N 0.08 4.39 0.29 1.99 0.02 -1.26 -0.43 135.00 140.08 1j3t s PRO 57 Ca -0.02 2.06 0.24 0.00 0.02 0.00 0.00 61.00 63.31 1j3t s PRO 57 Cb -0.04 -3.18 1.03 0.00 0.02 0.00 0.00 34.50 32.33 1j3t s PRO 57 CO 0.03 -0.24 1.73 1.57 -0.33 0.00 0.00 177.00 179.76 1j3t h LYS 58 N 5.20 0.00 0.00 5.54 2.10 -1.39 -1.54 116.57 126.48 1j3t h LYS 58 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1j3t h LYS 58 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1j3t h LYS 58 CO 0.76 0.00 0.15 1.03 -2.00 0.00 0.00 179.45 179.39 1j3t h SER 59 N 0.00 0.00 0.44 7.07 0.87 -1.91 -0.86 113.55 119.16 1j3t h SER 59 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j3t h SER 59 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1j3t h SER 59 CO 0.00 0.00 -0.68 -1.22 -0.53 0.00 0.00 176.83 174.40 1j3t n TYR 60 N -2.45 0.09 -4.50 2.24 4.02 -0.58 -5.01 117.16 110.97 1j3t n TYR 60 Ca -0.02 0.03 -0.25 0.00 -0.01 0.00 0.00 57.90 57.65 1j3t n TYR 60 Cb 0.19 -0.28 -0.08 0.00 -0.02 0.00 0.00 39.34 39.15 1j3t n TYR 60 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1j3t s VAL 61 N -3.05 0.62 -0.02 -0.72 -7.23 -0.33 -1.08 120.40 108.60 1j3t s VAL 61 Ca 0.09 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1j3t s VAL 61 Cb 0.16 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.72 1j3t s VAL 61 CO 0.75 0.00 -0.12 -1.59 -0.31 0.00 0.00 175.10 173.83 1j3t s LYS 62 N -3.72 1.07 0.69 4.82 -2.85 -0.20 -4.85 119.74 114.70 1j3t s LYS 62 Ca 0.25 -0.41 -0.16 0.00 -1.00 0.00 0.00 55.97 54.65 1j3t s LYS 62 Cb 0.03 -1.00 0.02 0.00 -2.06 0.00 0.00 37.83 34.81 1j3t s LYS 62 CO 0.15 0.21 1.20 0.42 0.10 0.00 0.00 175.35 177.43 1j3t s ILE 63 N -0.09 2.45 0.03 3.79 1.01 -1.26 -0.46 121.20 126.68 1j3t s ILE 63 Ca 0.01 0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.95 1j3t s ILE 63 Cb -0.07 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1j3t s ILE 63 CO 0.00 -0.10 -0.16 -0.63 0.00 0.00 0.00 174.94 174.05 1j3t s ILE 64 N -1.89 1.24 -2.19 2.92 1.01 -1.15 -4.81 121.20 116.33 1j3t s ILE 64 Ca 0.75 -1.00 0.18 0.00 0.00 0.00 0.00 60.65 60.58 1j3t s ILE 64 Cb -0.29 -1.10 0.42 0.00 0.01 0.00 0.00 42.46 41.50 1j3t s ILE 64 CO 0.42 0.09 1.49 -0.81 0.00 0.00 0.00 174.94 176.12 1j3t n PRO 65 N 1.99 1.69 -2.00 2.79 -0.04 -1.26 -4.06 135.00 134.11 1j3t n PRO 65 Ca -0.17 -1.04 -0.33 0.00 -0.04 0.00 0.00 63.50 61.91 1j3t n PRO 65 Cb 0.54 -1.35 0.03 0.00 -0.04 0.00 0.00 33.50 32.68 1j3t n PRO 65 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3t n GLY 66 N 1.08 5.85 2.27 0.55 0.00 -1.26 -4.89 105.19 108.78 1j3t n GLY 66 Ca 0.15 -2.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.25 1j3t n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j3t n SER 67 N -0.61 8.29 -3.84 1.61 3.41 -1.26 -4.83 113.62 116.39 1j3t n SER 67 Ca 0.50 -2.56 -0.09 0.00 -0.26 0.00 0.00 58.87 56.45 1j3t n SER 67 Cb 0.53 -1.54 -0.07 0.00 -0.26 0.00 0.00 64.21 62.87 1j3t n SER 67 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1j3t s GLU 68 N 1.97 0.82 1.26 4.33 2.12 -1.26 -4.80 118.70 123.15 1j3t s GLU 68 Ca 0.69 -0.85 -0.15 0.00 0.36 0.00 0.00 54.97 55.02 1j3t s GLU 68 Cb 0.20 0.34 0.32 0.00 0.26 0.00 0.00 34.13 35.25 1j3t s GLU 68 CO -0.05 -0.26 0.99 -1.12 -0.54 0.00 0.00 175.26 174.28 1j3t s SER 69 N -2.65 0.17 -0.44 -1.70 0.01 -1.26 -5.06 113.70 102.77 1j3t s SER 69 Ca 0.02 1.36 0.07 0.00 1.31 0.00 0.00 55.95 58.71 1j3t s SER 69 Cb 0.03 -2.08 0.24 0.00 0.21 0.00 0.00 66.02 64.42 1j3t s SER 69 CO -0.09 -4.68 0.68 0.61 0.41 0.00 0.00 173.24 170.17 1j3t n GLY 70 N 1.17 1.37 3.49 3.44 0.00 -1.26 -5.08 105.19 108.32 1j3t n GLY 70 Ca 0.05 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1j3t n GLY 70 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3t n PRO 71 N 1.72 2.50 -3.80 1.61 -0.04 -1.26 -4.83 135.00 130.89 1j3t n PRO 71 Ca 0.16 -2.85 -0.28 0.00 -0.04 0.00 0.00 63.50 60.49 1j3t n PRO 71 Cb 0.57 -3.53 -0.16 0.00 -0.04 0.00 0.00 33.50 30.34 1j3t n PRO 71 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3t s SER 72 N 5.00 3.06 -0.82 3.54 0.15 -1.26 -5.07 113.70 118.30 1j3t s SER 72 Ca 0.59 -0.86 -0.22 0.00 0.70 0.00 0.00 55.95 56.16 1j3t s SER 72 Cb 0.04 -0.75 0.08 0.00 -1.71 0.00 0.00 66.02 63.68 1j3t s SER 72 CO 0.09 -0.27 1.15 -0.55 1.20 0.00 0.00 173.24 174.86 1j3t s SER 73 N 1.74 6.37 0.00 5.45 0.15 -1.26 -5.32 113.70 120.83 1j3t s SER 73 Ca -0.02 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.31 1j3t s SER 73 Cb -0.17 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1j3t s SER 73 CO -0.07 -1.40 0.47 0.61 1.20 0.00 0.00 173.24 174.05