#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3t s SER 2 N 0.00 0.70 0.23 1.61 0.01 -1.26 -5.16 113.70 109.83 1j3t s SER 2 Ca 0.00 -1.11 -0.16 0.00 1.31 0.00 0.00 55.95 55.98 1j3t s SER 2 Cb 0.00 0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.44 1j3t s SER 2 CO 0.00 -0.62 0.55 -0.55 0.41 0.00 0.00 173.24 173.03 1j3t s SER 3 N -3.04 -0.20 -0.45 2.44 0.15 -1.26 -5.10 113.70 106.24 1j3t s SER 3 Ca 0.18 -0.67 -0.25 0.00 0.70 0.00 0.00 55.95 55.91 1j3t s SER 3 Cb 0.07 0.61 0.04 0.00 -1.71 0.00 0.00 66.02 65.03 1j3t s SER 3 CO -0.02 -1.14 0.54 0.61 1.20 0.00 0.00 173.24 174.43 1j3t n GLY 4 N -0.38 -0.16 3.32 9.45 0.00 -1.26 -5.01 105.19 111.16 1j3t n GLY 4 Ca -0.06 0.85 -0.17 0.00 0.00 0.00 0.00 46.02 46.64 1j3t n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j3t s SER 5 N -1.62 2.15 0.33 1.61 0.01 -1.26 -5.15 113.70 109.78 1j3t s SER 5 Ca 0.24 -1.10 -0.27 0.00 1.31 0.00 0.00 55.95 56.13 1j3t s SER 5 Cb -0.02 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.05 1j3t s SER 5 CO 0.73 -0.34 1.03 -0.55 0.41 0.00 0.00 173.24 174.52 1j3t s SER 6 N -3.29 7.14 0.00 2.44 0.15 -1.26 -4.62 113.70 114.26 1j3t s SER 6 Ca 0.23 2.06 0.00 0.00 0.70 0.00 0.00 55.95 58.94 1j3t s SER 6 Cb 0.03 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1j3t s SER 6 CO 0.06 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1j3t n GLY 7 N 0.78 -0.47 0.00 9.45 0.00 -1.26 -5.15 105.19 108.54 1j3t n GLY 7 Ca 0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1j3t n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1j3t n VAL 8 N 0.00 0.00 -4.71 1.61 3.14 -1.26 -5.12 118.33 111.98 1j3t n VAL 8 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1j3t n VAL 8 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 1j3t n VAL 8 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1j3t n GLU 9 N 0.90 0.68 -0.50 1.45 2.13 -1.26 -5.15 120.64 118.88 1j3t n GLU 9 Ca 0.00 -3.78 -0.31 0.00 0.66 0.00 0.00 57.16 53.73 1j3t n GLU 9 Cb 0.00 1.29 0.28 0.00 0.27 0.00 0.00 31.44 33.28 1j3t n GLU 9 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1j3t s ASN 10 N -3.83 -0.91 0.47 4.31 -0.87 -1.26 -4.99 114.94 107.86 1j3t s ASN 10 Ca 0.06 0.73 -0.24 0.00 -1.57 0.00 0.00 52.86 51.85 1j3t s ASN 10 Cb 0.00 -1.01 -0.07 0.00 -0.02 0.00 0.00 41.25 40.15 1j3t s ASN 10 CO 0.04 -5.26 1.31 -0.22 -2.57 0.00 0.00 177.10 170.41 1j3t s LEU 11 N -7.74 4.04 0.08 0.60 2.96 -1.26 -4.90 118.68 112.47 1j3t s LEU 11 Ca 0.69 2.66 0.10 0.00 -0.22 0.00 0.00 54.13 57.36 1j3t s LEU 11 Cb -0.11 -4.09 -0.03 0.00 0.50 0.00 0.00 46.19 42.45 1j3t s LEU 11 CO 0.57 -1.14 -0.25 -0.54 -1.32 0.00 0.00 176.35 173.67 1j3t s LYS 12 N -2.57 1.68 -0.03 1.98 1.02 -1.26 -0.17 119.74 120.38 1j3t s LYS 12 Ca 0.63 -1.19 -0.00 0.00 0.02 0.00 0.00 55.97 55.43 1j3t s LYS 12 Cb -0.38 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1j3t s LYS 12 CO 0.47 0.49 0.05 0.00 -0.92 0.00 0.00 175.35 175.43 1j3t s ALA 13 N -0.94 0.06 -0.12 5.17 0.00 -0.50 -3.31 121.76 122.12 1j3t s ALA 13 Ca 0.13 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 52.18 1j3t s ALA 13 Cb -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1j3t s ALA 13 CO 0.05 -0.15 0.82 -1.14 0.00 0.00 0.00 175.76 175.34 1j3t s GLN 14 N 1.20 4.37 0.33 0.00 0.74 -0.16 -1.88 119.66 124.27 1j3t s GLN 14 Ca -0.08 1.05 -0.29 0.00 0.05 0.00 0.00 55.36 56.09 1j3t s GLN 14 Cb -0.13 -3.52 -0.11 0.00 1.10 0.00 0.00 33.01 30.35 1j3t s GLN 14 CO -0.03 -0.19 1.43 0.00 -0.55 0.00 0.00 175.29 175.95 1j3t s ALA 15 N 1.63 3.58 -0.08 1.58 0.00 0.44 -0.51 121.76 128.40 1j3t s ALA 15 Ca 0.40 1.43 0.21 0.00 0.00 0.00 0.00 51.96 54.01 1j3t s ALA 15 Cb -0.18 -3.56 -0.28 0.00 0.00 0.00 0.00 23.12 19.10 1j3t s ALA 15 CO 0.16 -0.86 0.50 1.28 0.00 0.00 0.00 175.76 176.84 1j3t n LEU 16 N 1.08 0.13 -4.07 0.00 4.77 0.43 -0.73 117.00 118.60 1j3t n LEU 16 Ca 0.02 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 1j3t n LEU 16 Cb 0.40 0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1j3t n LEU 16 CO 0.62 0.05 -0.36 0.00 -1.33 0.00 0.00 177.39 176.37 1j3t s SER 18 N -2.55 7.39 -0.27 0.00 1.04 -1.26 -3.55 113.70 114.49 1j3t s SER 18 Ca 0.01 1.66 -0.01 0.00 0.48 0.00 0.00 55.95 58.09 1j3t s SER 18 Cb 0.03 -2.53 0.16 0.00 0.10 0.00 0.00 66.02 63.79 1j3t s SER 18 CO -0.07 0.04 0.48 0.86 0.98 0.00 0.00 173.24 175.53 1j3t s TRP 19 N -0.37 -1.21 0.93 5.02 -0.00 -0.14 -4.87 118.94 118.30 1j3t s TRP 19 Ca 0.41 1.18 -0.12 0.00 -0.00 0.00 0.00 56.10 57.56 1j3t s TRP 19 Cb -0.23 0.25 0.15 0.00 -0.00 0.00 0.00 33.47 33.64 1j3t s TRP 19 CO 0.27 -0.82 1.11 0.95 -0.00 0.00 0.00 176.95 178.45 1j3t s THR 20 N 2.69 2.26 0.59 5.86 -4.23 -1.26 -1.22 115.64 120.33 1j3t s THR 20 Ca 0.16 0.08 -0.13 0.00 -1.18 0.00 0.00 61.69 60.62 1j3t s THR 20 Cb -0.15 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1j3t s THR 20 CO -0.19 -0.11 1.02 0.00 -0.54 0.00 0.00 174.62 174.80 1j3t s ALA 21 N -3.08 3.01 0.05 3.99 0.00 -1.26 -4.76 121.76 119.71 1j3t s ALA 21 Ca 0.64 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1j3t s ALA 21 Cb -0.17 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1j3t s ALA 21 CO 0.56 -0.60 0.00 1.63 0.00 0.00 0.00 175.76 177.35 1j3t n LYS 22 N -2.32 0.00 -1.61 0.00 4.01 -1.26 -5.06 118.16 111.91 1j3t n LYS 22 Ca 0.07 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.57 1j3t n LYS 22 Cb 0.54 -0.01 0.18 0.00 -0.51 0.00 0.00 35.03 35.23 1j3t n LYS 22 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1j3t s LYS 23 N -1.16 0.39 0.00 1.97 -0.14 -1.26 -5.00 119.74 114.53 1j3t s LYS 23 Ca 0.00 -0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.50 1j3t s LYS 23 Cb 0.00 -1.79 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1j3t s LYS 23 CO 0.00 -2.63 0.77 -0.25 -0.76 0.00 0.00 175.35 172.48 1j3t n ASP 24 N -3.99 0.00 -1.43 2.83 9.92 -1.26 -3.36 116.55 119.26 1j3t n ASP 24 Ca 0.12 0.77 -0.04 0.00 -0.53 0.00 0.00 54.79 55.11 1j3t n ASP 24 Cb 0.60 -0.28 0.02 0.00 -0.64 0.00 0.00 41.12 40.82 1j3t n ASP 24 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1j3t n ASN 25 N -1.33 4.58 -4.86 -2.24 6.94 -1.26 -4.81 115.26 112.29 1j3t n ASN 25 Ca 0.00 -2.45 -0.31 0.00 -0.02 0.00 0.00 54.58 51.79 1j3t n ASN 25 Cb 0.00 -0.87 -0.01 0.00 -2.36 0.00 0.00 39.78 36.54 1j3t n ASN 25 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1j3t s HIS 26 N -0.53 3.54 0.44 -2.53 3.76 -1.21 -0.23 115.29 118.52 1j3t s HIS 26 Ca 0.09 1.37 -0.02 0.00 -0.15 0.00 0.00 55.06 56.35 1j3t s HIS 26 Cb 0.07 -2.76 -0.02 0.00 1.11 0.00 0.00 32.58 30.98 1j3t s HIS 26 CO 0.01 -0.57 0.68 -1.17 -0.85 0.00 0.00 174.74 172.84 1j3t s LEU 27 N -4.71 3.74 -0.14 0.89 1.98 -0.37 -4.28 118.68 115.78 1j3t s LEU 27 Ca 0.57 0.59 -0.02 0.00 -2.89 0.00 0.00 54.13 52.38 1j3t s LEU 27 Cb -0.11 -3.48 0.04 0.00 0.66 0.00 0.00 46.19 43.30 1j3t s LEU 27 CO 0.44 -0.55 0.01 0.54 -1.89 0.00 0.00 176.35 174.90 1j3t s ASN 28 N -4.12 2.36 0.30 3.68 4.22 -1.26 -4.03 114.94 116.09 1j3t s ASN 28 Ca 0.45 -0.50 0.02 0.00 -2.14 0.00 0.00 52.86 50.70 1j3t s ASN 28 Cb -0.10 -0.59 -0.05 0.00 1.28 0.00 0.00 41.25 41.79 1j3t s ASN 28 CO 0.40 -0.24 0.09 0.72 -2.04 0.00 0.00 177.10 176.03 1j3t s PHE 29 N 1.87 1.70 0.48 1.54 -0.12 -0.36 -4.86 117.98 118.23 1j3t s PHE 29 Ca 0.02 -1.13 0.05 0.00 -0.05 0.00 0.00 56.93 55.81 1j3t s PHE 29 Cb -0.15 -1.04 -0.02 0.00 -0.63 0.00 0.00 43.02 41.18 1j3t s PHE 29 CO -0.07 -0.24 0.16 0.45 -0.05 0.00 0.00 175.22 175.48 1j3t s SER 30 N -3.40 4.33 0.29 1.98 0.15 -1.26 -0.97 113.70 114.82 1j3t s SER 30 Ca 0.36 -1.34 -0.30 0.00 0.70 0.00 0.00 55.95 55.38 1j3t s SER 30 Cb 0.07 0.08 -0.12 0.00 -1.71 0.00 0.00 66.02 64.34 1j3t s SER 30 CO 0.15 -0.78 1.43 1.17 1.20 0.00 0.00 173.24 176.40 1j3t n LYS 31 N -1.36 2.28 -0.81 5.44 4.81 -1.23 -2.43 118.16 124.86 1j3t n LYS 31 Ca -0.07 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1j3t n LYS 31 Cb 0.66 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.23 1j3t n LYS 31 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1j3t n HIS 32 N 1.38 0.00 -1.83 5.64 8.25 0.09 -4.92 115.22 123.83 1j3t n HIS 32 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.19 1j3t n HIS 32 Cb 0.35 -1.70 0.05 0.00 1.12 0.00 0.00 29.99 29.81 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 -2.02 4.98 -0.19 0.41 1.01 -1.02 -4.70 116.67 115.13 1j3t s ASP 33 Ca 0.00 2.25 -0.07 0.00 0.71 0.00 0.00 52.55 55.44 1j3t s ASP 33 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1j3t s ASP 33 CO 0.00 -1.73 0.05 -0.63 0.21 0.00 0.00 175.17 173.08 1j3t s ILE 34 N -1.91 4.61 -0.03 0.77 -1.09 -1.26 -0.42 121.20 121.88 1j3t s ILE 34 Ca 0.73 -0.09 0.07 0.00 -2.23 0.00 0.00 60.65 59.13 1j3t s ILE 34 Cb -0.27 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1j3t s ILE 34 CO 0.38 0.44 -0.25 -0.63 -1.23 0.00 0.00 174.94 173.64 1j3t s ILE 35 N 0.61 1.98 -0.28 2.92 1.09 -0.79 -4.83 121.20 121.90 1j3t s ILE 35 Ca 0.03 -1.07 -0.29 0.00 -1.10 0.00 0.00 60.65 58.22 1j3t s ILE 35 Cb -0.13 -1.65 -0.02 0.00 -1.06 0.00 0.00 42.46 39.60 1j3t s ILE 35 CO 0.02 0.56 1.64 -0.89 -0.10 0.00 0.00 174.94 176.16 1j3t s THR 36 N -0.51 3.66 0.51 2.92 2.01 -0.53 -1.41 115.64 122.30 1j3t s THR 36 Ca 0.07 0.72 -0.21 0.00 0.31 0.00 0.00 61.69 62.58 1j3t s THR 36 Cb -0.10 -3.76 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 1j3t s THR 36 CO -0.00 -0.40 1.15 -0.69 -0.69 0.00 0.00 174.62 173.98 1j3t s VAL 37 N 5.75 3.13 0.01 3.82 1.01 0.76 -0.35 120.40 134.52 1j3t s VAL 37 Ca 0.72 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1j3t s VAL 37 Cb -0.22 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1j3t s VAL 37 CO 0.31 -0.10 0.00 0.18 0.00 0.00 0.00 175.10 175.49 1j3t n LEU 38 N -1.00 0.01 -4.28 3.92 4.77 0.30 -3.99 117.00 116.73 1j3t n LEU 38 Ca 0.10 0.01 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 1j3t n LEU 38 Cb 0.50 0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1j3t n LEU 38 CO 0.44 -0.36 -0.42 -0.70 -1.33 0.00 0.00 177.39 175.02 1j3t s GLU 39 N -2.00 1.13 -0.02 3.23 2.56 -0.99 -4.97 118.70 117.64 1j3t s GLU 39 Ca 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 54.97 53.50 1j3t s GLU 39 Cb 0.00 -0.78 0.02 0.00 2.00 0.00 0.00 34.13 35.36 1j3t s GLU 39 CO 0.00 0.11 -0.02 -0.65 -0.56 0.00 0.00 175.26 174.14 1j3t s GLN 40 N -3.66 0.39 0.00 4.30 -0.21 -1.26 -0.66 119.66 118.57 1j3t s GLN 40 Ca 0.18 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 55.53 1j3t s GLN 40 Cb 0.01 -0.48 0.00 0.00 1.00 0.00 0.00 33.01 33.55 1j3t s GLN 40 CO 0.02 -0.04 0.00 1.04 -2.12 0.00 0.00 175.29 174.19 1j3t n GLN 41 N 3.70 2.63 -0.22 2.91 1.13 0.17 -4.99 117.38 122.70 1j3t n GLN 41 Ca -0.22 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.86 1j3t n GLN 41 Cb 0.53 0.00 0.13 0.00 0.11 0.00 0.00 30.24 31.02 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 0.39 0.00 -1.09 9.09 -2.02 -3.38 114.58 117.56 1j3t h GLU 42 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1j3t h GLU 42 Cb 0.00 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.01 1j3t h GLU 42 CO 0.00 0.26 0.00 0.09 0.05 0.00 0.00 179.01 179.41 1j3t n ASN 43 N -5.02 0.00 -4.84 3.06 3.02 -1.26 -5.08 115.26 105.15 1j3t n ASN 43 Ca 0.11 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.28 1j3t n ASN 43 Cb 0.32 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1j3t n ASN 43 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1j3t s TRP 44 N 0.00 3.62 0.08 3.10 0.52 -1.26 -0.91 118.94 124.09 1j3t s TRP 44 Ca 0.00 0.71 0.09 0.00 0.02 0.00 0.00 56.10 56.92 1j3t s TRP 44 Cb 0.00 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1j3t s TRP 44 CO 0.00 0.62 -0.22 -1.58 0.02 0.00 0.00 176.95 175.79 1j3t s TRP 45 N -0.79 2.46 0.16 -1.98 0.51 0.29 -0.66 118.94 118.93 1j3t s TRP 45 Ca 0.18 -0.31 -0.06 0.00 -2.12 0.00 0.00 56.10 53.78 1j3t s TRP 45 Cb -0.14 -1.38 -0.06 0.00 -0.81 0.00 0.00 33.47 31.08 1j3t s TRP 45 CO 0.07 0.27 0.43 0.12 -0.51 0.00 0.00 176.95 177.34 1j3t s PHE 46 N -0.98 3.47 0.14 -1.98 5.36 0.17 -0.27 117.98 123.89 1j3t s PHE 46 Ca 0.15 0.66 -0.24 0.00 -0.96 0.00 0.00 56.93 56.54 1j3t s PHE 46 Cb -0.10 -2.09 0.08 0.00 -0.34 0.00 0.00 43.02 40.57 1j3t s PHE 46 CO 0.06 0.39 1.07 0.20 -1.46 0.00 0.00 175.22 175.48 1j3t s GLY 47 N -2.37 -0.05 -0.09 13.12 0.00 -0.61 -0.54 107.32 116.79 1j3t s GLY 47 Ca 0.42 -0.08 0.02 0.00 0.00 0.00 0.00 44.72 45.08 1j3t s GLY 47 CO 0.23 1.85 -0.15 1.85 0.00 0.00 0.00 173.10 176.88 1j3t s GLU 48 N -2.46 2.08 0.05 2.90 2.12 0.53 -1.65 118.70 122.27 1j3t s GLU 48 Ca 0.19 -0.53 -0.13 0.00 0.36 0.00 0.00 54.97 54.87 1j3t s GLU 48 Cb -0.01 -1.74 0.02 0.00 0.26 0.00 0.00 34.13 32.66 1j3t s GLU 48 CO 0.03 -0.01 0.29 0.54 -0.54 0.00 0.00 175.26 175.57 1j3t s VAL 49 N 0.83 0.09 -1.15 3.70 0.11 -0.36 -1.45 120.40 122.17 1j3t s VAL 49 Ca -0.10 -0.74 -0.01 0.00 -2.93 0.00 0.00 61.98 58.20 1j3t s VAL 49 Cb -0.15 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1j3t s VAL 49 CO 0.01 -0.41 0.09 1.41 -3.33 0.00 0.00 175.10 172.88 1j3t n HIS 50 N 0.46 -1.47 -0.75 1.54 8.25 -1.26 -0.62 115.22 121.38 1j3t n HIS 50 Ca -0.18 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1j3t n HIS 50 Cb 0.60 -2.94 0.00 0.00 1.12 0.00 0.00 29.99 28.77 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 -0.90 0.12 3.73 -1.41 0.00 -1.26 -4.96 105.19 100.50 1j3t n GLY 51 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.00 2.15 0.03 -0.02 0.00 0.21 -5.09 107.32 102.59 1j3t s GLY 52 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 1j3t s GLY 52 CO 0.00 0.33 0.23 0.50 0.00 0.00 0.00 173.10 174.16 1j3t s ARG 53 N 0.43 3.49 -0.08 2.90 0.52 -1.26 -1.23 118.95 123.73 1j3t s ARG 53 Ca 0.13 -0.27 -0.32 0.00 -0.52 0.00 0.00 55.73 54.76 1j3t s ARG 53 Cb -0.12 -3.05 0.13 0.00 0.52 0.00 0.00 34.95 32.43 1j3t s ARG 53 CO 0.02 0.63 1.40 0.20 0.02 0.00 0.00 175.30 177.56 1j3t s GLY 54 N -2.08 -0.40 0.32 -3.53 0.00 -0.66 -4.70 107.32 96.27 1j3t s GLY 54 Ca 0.31 0.67 -0.14 0.00 0.00 0.00 0.00 44.72 45.56 1j3t s GLY 54 CO 0.21 2.26 0.71 -0.98 0.00 0.00 0.00 173.10 175.31 1j3t s TRP 55 N -2.06 3.39 -0.12 1.90 0.52 0.68 -1.57 118.94 121.68 1j3t s TRP 55 Ca 0.20 1.14 -0.20 0.00 0.02 0.00 0.00 56.10 57.27 1j3t s TRP 55 Cb 0.05 -2.48 0.05 0.00 -1.15 0.00 0.00 33.47 29.93 1j3t s TRP 55 CO -0.05 0.09 0.49 -0.59 0.02 0.00 0.00 176.95 176.91 1j3t s PHE 56 N -2.01 -0.48 0.11 -1.98 -0.12 0.63 -1.24 117.98 112.88 1j3t s PHE 56 Ca 0.53 1.03 -0.31 0.00 -0.05 0.00 0.00 56.93 58.13 1j3t s PHE 56 Cb -0.10 0.21 -0.09 0.00 -0.63 0.00 0.00 43.02 42.41 1j3t s PHE 56 CO 0.20 -0.37 1.59 -2.14 -0.05 0.00 0.00 175.22 174.45 1j3t s PRO 57 N -0.45 4.21 0.54 1.99 0.02 -1.26 -0.55 135.00 139.50 1j3t s PRO 57 Ca -0.06 2.32 0.36 0.00 0.02 0.00 0.00 61.00 63.64 1j3t s PRO 57 Cb -0.03 -3.38 1.72 0.00 0.02 0.00 0.00 34.50 32.83 1j3t s PRO 57 CO 0.04 -0.66 2.07 1.57 -0.33 0.00 0.00 177.00 179.69 1j3t h LYS 58 N 7.54 0.00 0.00 5.54 2.10 -1.37 -2.86 116.57 127.52 1j3t h LYS 58 Ca -0.42 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1j3t h LYS 58 Cb 1.20 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1j3t h LYS 58 CO 0.92 0.00 -0.02 0.66 -2.00 0.00 0.00 179.45 179.01 1j3t h SER 59 N 0.00 0.00 0.74 7.07 4.64 -1.90 -0.67 113.55 123.43 1j3t h SER 59 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3t h SER 59 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1j3t h SER 59 CO 0.00 0.02 0.00 -1.22 -0.87 0.00 0.00 176.83 174.76 1j3t n TYR 60 N -3.84 0.00 -4.59 4.77 4.02 -1.08 -4.88 117.16 111.57 1j3t n TYR 60 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.58 1j3t n TYR 60 Cb 0.11 -0.50 -0.08 0.00 -0.02 0.00 0.00 39.34 38.85 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 -3.00 0.72 0.02 -0.72 -7.23 -0.26 -0.43 120.40 109.51 1j3t s VAL 61 Ca 0.10 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 1j3t s VAL 61 Cb 0.14 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1j3t s VAL 61 CO 0.39 0.00 -0.11 -1.59 -0.31 0.00 0.00 175.10 173.48 1j3t s LYS 62 N -3.74 0.76 0.70 4.82 -2.85 0.33 -4.79 119.74 114.97 1j3t s LYS 62 Ca 0.18 -0.60 -0.16 0.00 -1.00 0.00 0.00 55.97 54.39 1j3t s LYS 62 Cb 0.02 -0.71 0.02 0.00 -2.06 0.00 0.00 37.83 35.10 1j3t s LYS 62 CO 0.11 0.18 1.21 0.42 0.10 0.00 0.00 175.35 177.37 1j3t s ILE 63 N -0.74 2.40 0.18 3.79 1.01 -1.26 -0.99 121.20 125.60 1j3t s ILE 63 Ca -0.00 0.21 0.10 0.00 0.00 0.00 0.00 60.65 60.96 1j3t s ILE 63 Cb -0.07 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 1j3t s ILE 63 CO 0.01 -0.10 -0.21 -0.63 0.00 0.00 0.00 174.94 174.01 1j3t s ILE 64 N -1.91 2.08 -0.02 2.92 1.01 -1.21 -4.82 121.20 119.25 1j3t s ILE 64 Ca 0.75 -1.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.19 1j3t s ILE 64 Cb -0.29 -1.98 -0.17 0.00 0.01 0.00 0.00 42.46 40.03 1j3t s ILE 64 CO 0.43 -0.22 1.08 1.55 0.00 0.00 0.00 174.94 177.79 1j3t h PRO 65 N 3.23 -0.23 -4.79 2.79 0.13 -1.97 -3.46 132.00 127.70 1j3t h PRO 65 Ca -0.44 0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.42 1j3t h PRO 65 Cb 1.21 0.05 0.12 0.00 0.13 0.00 0.00 31.00 32.51 1j3t h PRO 65 CO 0.49 0.18 -0.56 0.41 -0.23 0.00 0.00 178.00 178.29 1j3t n GLY 66 N 0.20 -0.19 0.00 1.56 0.00 -1.26 -5.00 105.19 100.49 1j3t n GLY 66 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1j3t n GLY 66 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j3t n SER 67 N -2.30 0.00 -4.11 1.61 2.88 -1.26 -5.03 113.62 105.41 1j3t n SER 67 Ca -0.10 0.07 -0.11 0.00 -1.33 0.00 0.00 58.87 57.40 1j3t n SER 67 Cb 0.59 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.96 1j3t n SER 67 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1j3t s GLU 68 N -0.14 1.33 -1.45 -1.46 8.01 -1.26 -4.88 118.70 118.85 1j3t s GLU 68 Ca 0.00 -1.47 -0.06 0.00 0.01 0.00 0.00 54.97 53.46 1j3t s GLU 68 Cb 0.00 0.35 0.03 0.00 -4.31 0.00 0.00 34.13 30.20 1j3t s GLU 68 CO 0.00 -0.49 0.51 0.43 0.01 0.00 0.00 175.26 175.72 1j3t n SER 69 N -0.31 -5.21 -3.21 -0.19 7.64 -1.26 -4.95 113.62 106.12 1j3t n SER 69 Ca 0.00 -0.28 -0.34 0.00 1.01 0.00 0.00 58.87 59.27 1j3t n SER 69 Cb 0.64 -4.25 -0.01 0.00 -1.01 0.00 0.00 64.21 59.58 1j3t n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j3t n GLY 70 N -1.35 5.87 0.09 0.23 0.00 -1.26 -4.84 105.19 103.93 1j3t n GLY 70 Ca -0.09 -2.68 -0.15 0.00 0.00 0.00 0.00 46.02 43.10 1j3t n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j3t h PRO 71 N 3.49 0.16 0.00 1.61 0.13 -2.02 -3.50 132.00 131.87 1j3t h PRO 71 Ca 0.35 -0.16 0.09 0.00 -0.87 0.00 0.00 66.00 65.40 1j3t h PRO 71 Cb 0.42 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1j3t h PRO 71 CO 1.02 0.88 -0.11 0.43 -0.23 0.00 0.00 178.00 179.99 1j3t n SER 72 N -4.54 -3.89 -2.04 1.44 7.64 -1.26 -5.03 113.62 105.94 1j3t n SER 72 Ca -0.09 0.34 -0.02 0.00 1.01 0.00 0.00 58.87 60.11 1j3t n SER 72 Cb 0.48 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1j3t n SER 72 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1j3t n SER 73 N -3.81 -4.52 0.00 6.43 2.88 -1.26 -5.29 113.62 108.05 1j3t n SER 73 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1j3t n SER 73 Cb 0.14 -2.84 0.00 0.00 -0.75 0.00 0.00 64.21 60.76 1j3t n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42