#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 0.99 -3.82 1.61 7.64 -1.26 -5.09 113.62 113.69 1j3t n SER 2 Ca 0.00 0.16 -0.21 0.00 1.01 0.00 0.00 58.87 59.83 1j3t n SER 2 Cb 0.00 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.65 1j3t n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1j3t n SER 3 N -3.48 2.81 0.00 6.43 2.88 -1.26 -5.16 113.62 115.84 1j3t n SER 3 Ca -0.06 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 1j3t n SER 3 Cb 0.22 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1j3t n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j3t n GLY 4 N 0.85 2.81 2.34 0.46 0.00 -1.26 -5.04 105.19 105.36 1j3t n GLY 4 Ca -0.12 -1.13 -0.20 0.00 0.00 0.00 0.00 46.02 44.57 1j3t n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j3t n SER 5 N 0.00 1.57 -0.87 1.61 7.64 -1.26 -5.11 113.62 117.21 1j3t n SER 5 Ca 0.00 -3.14 0.01 0.00 1.01 0.00 0.00 58.87 56.75 1j3t n SER 5 Cb 0.00 -0.61 -0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1j3t n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1j3t n SER 6 N 0.20 -5.19 0.00 6.43 3.41 -1.26 -4.87 113.62 112.33 1j3t n SER 6 Ca 0.26 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1j3t n SER 6 Cb 0.60 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1j3t n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j3t n GLY 7 N -0.23 2.38 0.00 5.00 0.00 -1.25 -4.88 105.19 106.21 1j3t n GLY 7 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.15 0.00 1.61 3.14 -1.26 -4.64 118.33 117.03 1j3t n VAL 8 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1j3t n VAL 8 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -0.07 0.00 -3.53 1.45 2.13 -1.26 -4.71 120.64 114.65 1j3t n GLU 9 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 1j3t n GLU 9 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 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 -4.00 4.87 0.46 4.31 -0.87 -1.26 -5.09 114.94 113.37 1j3t s ASN 10 Ca 0.00 -1.02 -0.24 0.00 -1.57 0.00 0.00 52.86 50.03 1j3t s ASN 10 Cb 0.00 0.20 -0.07 0.00 -0.02 0.00 0.00 41.25 41.36 1j3t s ASN 10 CO 0.00 -1.11 1.30 -0.22 -2.57 0.00 0.00 177.10 174.50 1j3t s LEU 11 N -4.39 4.05 0.14 0.60 2.96 -1.24 -4.89 118.68 115.91 1j3t s LEU 11 Ca 0.46 2.63 0.09 0.00 -0.22 0.00 0.00 54.13 57.09 1j3t s LEU 11 Cb -0.04 -4.09 -0.04 0.00 0.50 0.00 0.00 46.19 42.52 1j3t s LEU 11 CO 0.28 -1.11 -0.22 -0.54 -1.32 0.00 0.00 176.35 173.44 1j3t s LYS 12 N -2.56 1.29 -0.17 1.98 -0.14 -1.26 0.01 119.74 118.89 1j3t s LYS 12 Ca 0.63 -1.32 -0.09 0.00 -1.36 0.00 0.00 55.97 53.84 1j3t s LYS 12 Cb -0.37 -1.58 0.06 0.00 -1.68 0.00 0.00 37.83 34.26 1j3t s LYS 12 CO 0.46 0.36 0.40 0.00 -0.76 0.00 0.00 175.35 175.80 1j3t s ALA 13 N -1.41 -1.02 -0.13 5.17 0.00 -0.73 -2.56 121.76 121.08 1j3t s ALA 13 Ca 0.13 1.48 -0.24 0.00 0.00 0.00 0.00 51.96 53.33 1j3t s ALA 13 Cb -0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.05 1j3t s ALA 13 CO 0.06 -0.33 0.76 -1.14 0.00 0.00 0.00 175.76 175.11 1j3t s GLN 14 N 1.56 4.34 0.50 0.00 0.74 -0.22 -2.16 119.66 124.42 1j3t s GLN 14 Ca -0.08 0.92 -0.23 0.00 0.05 0.00 0.00 55.36 56.02 1j3t s GLN 14 Cb -0.09 -3.53 -0.06 0.00 1.10 0.00 0.00 33.01 30.43 1j3t s GLN 14 CO -0.12 -0.18 1.38 0.00 -0.55 0.00 0.00 175.29 175.82 1j3t s ALA 15 N 1.63 3.02 -1.11 1.58 0.00 0.73 -0.46 121.76 127.14 1j3t s ALA 15 Ca 0.37 1.37 0.14 0.00 0.00 0.00 0.00 51.96 53.84 1j3t s ALA 15 Cb -0.17 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.33 1j3t s ALA 15 CO 0.15 -1.25 0.73 1.28 0.00 0.00 0.00 175.76 176.66 1j3t n LEU 16 N -0.62 1.24 -3.97 0.00 4.77 0.97 -1.05 117.00 118.34 1j3t n LEU 16 Ca 0.08 -0.68 -0.10 0.00 -0.03 0.00 0.00 56.01 55.28 1j3t n LEU 16 Cb 0.44 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1j3t n LEU 16 CO 0.55 0.25 0.05 0.00 -1.33 0.00 0.00 177.39 176.91 1j3t s SER 18 N -2.99 6.95 0.20 0.00 1.04 -1.26 -3.16 113.70 114.47 1j3t s SER 18 Ca 0.19 1.33 -0.20 0.00 0.48 0.00 0.00 55.95 57.75 1j3t s SER 18 Cb 0.02 -2.39 0.04 0.00 0.10 0.00 0.00 66.02 63.80 1j3t s SER 18 CO 0.03 -0.02 0.59 0.86 0.98 0.00 0.00 173.24 175.68 1j3t s TRP 19 N -1.64 -0.29 0.16 5.02 -0.00 -0.19 -4.94 118.94 117.06 1j3t s TRP 19 Ca 0.45 -0.03 0.06 0.00 -0.00 0.00 0.00 56.10 56.58 1j3t s TRP 19 Cb -0.15 0.52 -0.04 0.00 -0.00 0.00 0.00 33.47 33.80 1j3t s TRP 19 CO 0.20 -0.96 -0.12 0.95 -0.00 0.00 0.00 176.95 177.02 1j3t s THR 20 N -3.84 1.36 0.77 5.86 -4.23 -1.26 -1.47 115.64 112.83 1j3t s THR 20 Ca 0.06 -2.04 -0.11 0.00 -1.18 0.00 0.00 61.69 58.42 1j3t s THR 20 Cb -0.02 -1.85 0.05 0.00 1.34 0.00 0.00 72.50 72.03 1j3t s THR 20 CO -0.05 -0.64 1.08 0.00 -0.54 0.00 0.00 174.62 174.47 1j3t s ALA 21 N -3.01 2.27 0.03 3.99 0.00 -1.24 -4.81 121.76 118.99 1j3t s ALA 21 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.29 1j3t s ALA 21 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1j3t s ALA 21 CO 0.03 -1.71 0.00 1.63 0.00 0.00 0.00 175.76 175.71 1j3t n LYS 22 N -3.47 0.00 -3.43 0.00 4.76 -1.26 -5.07 118.16 109.69 1j3t n LYS 22 Ca 0.08 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.34 1j3t n LYS 22 Cb 0.54 -0.08 -0.00 0.00 -1.84 0.00 0.00 35.03 33.65 1j3t n LYS 22 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1j3t s LYS 23 N -2.00 3.10 0.11 1.97 1.02 -1.26 -5.05 119.74 117.62 1j3t s LYS 23 Ca 0.00 -1.03 -0.28 0.00 0.02 0.00 0.00 55.97 54.68 1j3t s LYS 23 Cb 0.00 -2.82 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 1j3t s LYS 23 CO 0.00 0.04 1.63 -0.44 -0.92 0.00 0.00 175.35 175.66 1j3t h ASP 24 N 0.87 -0.77 0.00 2.83 3.32 -2.03 -2.01 116.42 118.63 1j3t h ASP 24 Ca -0.45 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1j3t h ASP 24 Cb 1.26 0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.09 1j3t h ASP 24 CO 0.52 -0.38 0.00 -3.20 -1.72 0.00 0.00 179.24 174.46 1j3t n ASN 25 N -5.39 2.83 -4.88 6.45 5.15 -1.26 -4.82 115.26 113.34 1j3t n ASN 25 Ca -0.08 -1.89 -0.34 0.00 -0.60 0.00 0.00 54.58 51.67 1j3t n ASN 25 Cb 0.30 -0.47 -0.05 0.00 -0.53 0.00 0.00 39.78 39.03 1j3t n ASN 25 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1j3t s HIS 26 N 0.05 3.56 0.71 1.20 3.76 -0.76 -0.31 115.29 123.50 1j3t s HIS 26 Ca 0.00 0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 55.43 1j3t s HIS 26 Cb 0.00 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.67 1j3t s HIS 26 CO 0.00 0.54 1.09 -1.17 -0.85 0.00 0.00 174.74 174.35 1j3t s LEU 27 N -2.02 2.88 -0.11 0.89 1.98 0.09 -4.56 118.68 117.83 1j3t s LEU 27 Ca 0.32 1.04 -0.06 0.00 -2.89 0.00 0.00 54.13 52.55 1j3t s LEU 27 Cb -0.13 -3.80 0.05 0.00 0.66 0.00 0.00 46.19 42.96 1j3t s LEU 27 CO 0.19 -1.39 0.26 0.54 -1.89 0.00 0.00 176.35 174.06 1j3t s ASN 28 N -4.39 -0.29 0.32 3.68 2.20 -1.26 -3.65 114.94 111.56 1j3t s ASN 28 Ca 0.58 0.56 0.03 0.00 -0.94 0.00 0.00 52.86 53.09 1j3t s ASN 28 Cb -0.11 0.45 -0.02 0.00 -2.00 0.00 0.00 41.25 39.57 1j3t s ASN 28 CO 0.51 -0.17 0.34 0.72 -2.94 0.00 0.00 177.10 175.56 1j3t s PHE 29 N 1.27 1.44 0.41 1.54 -0.12 -0.54 -4.92 117.98 117.06 1j3t s PHE 29 Ca -0.09 -1.50 0.05 0.00 -0.05 0.00 0.00 56.93 55.34 1j3t s PHE 29 Cb -0.10 -0.47 -0.06 0.00 -0.63 0.00 0.00 43.02 41.76 1j3t s PHE 29 CO -0.09 -0.95 0.02 -1.12 -0.05 0.00 0.00 175.22 173.04 1j3t s SER 30 N -3.30 3.58 0.12 1.98 0.01 -1.26 -1.02 113.70 113.80 1j3t s SER 30 Ca 0.37 -1.43 -0.31 0.00 1.31 0.00 0.00 55.95 55.88 1j3t s SER 30 Cb 0.02 -0.15 -0.08 0.00 0.21 0.00 0.00 66.02 66.01 1j3t s SER 30 CO 0.23 -0.57 1.45 -0.75 0.41 0.00 0.00 173.24 174.02 1j3t s LYS 31 N -3.77 4.28 -0.11 12.44 2.20 -1.19 -2.08 119.74 131.51 1j3t s LYS 31 Ca 0.30 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.07 1j3t s LYS 31 Cb 0.08 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1j3t s LYS 31 CO 0.15 -0.50 0.00 0.72 -0.36 0.00 0.00 175.35 175.35 1j3t n HIS 32 N 4.09 0.00 -1.98 4.03 8.25 -0.22 -4.96 115.22 124.43 1j3t n HIS 32 Ca 0.12 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.24 1j3t n HIS 32 Cb 0.41 -1.47 0.03 0.00 1.12 0.00 0.00 29.99 30.08 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 -2.06 5.35 -0.15 0.41 1.11 -0.88 -4.71 116.67 115.74 1j3t s ASP 33 Ca 0.00 2.10 -0.05 0.00 0.18 0.00 0.00 52.55 54.78 1j3t s ASP 33 Cb 0.00 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.39 1j3t s ASP 33 CO 0.00 -1.47 0.04 -0.63 1.18 0.00 0.00 175.17 174.29 1j3t s ILE 34 N -2.05 4.59 -0.02 0.77 -1.09 -1.26 -0.19 121.20 121.95 1j3t s ILE 34 Ca 0.70 -0.12 0.05 0.00 -2.23 0.00 0.00 60.65 59.05 1j3t s ILE 34 Cb -0.23 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.63 1j3t s ILE 34 CO 0.35 0.52 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.79 1j3t s ILE 35 N -0.12 1.30 -0.15 2.92 1.09 -0.92 -4.85 121.20 120.47 1j3t s ILE 35 Ca 0.06 -0.70 -0.29 0.00 -1.10 0.00 0.00 60.65 58.62 1j3t s ILE 35 Cb -0.12 -1.08 -0.03 0.00 -1.06 0.00 0.00 42.46 40.16 1j3t s ILE 35 CO 0.01 0.37 1.52 -0.89 -0.10 0.00 0.00 174.94 175.86 1j3t s THR 36 N -0.34 3.83 0.41 2.92 2.01 -0.74 -1.77 115.64 121.97 1j3t s THR 36 Ca 0.05 0.98 -0.22 0.00 0.31 0.00 0.00 61.69 62.81 1j3t s THR 36 Cb -0.07 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.62 1j3t s THR 36 CO -0.00 -0.18 0.96 -0.69 -0.69 0.00 0.00 174.62 174.01 1j3t s VAL 37 N 4.31 4.29 0.00 3.82 1.01 0.10 -0.43 120.40 133.51 1j3t s VAL 37 Ca 0.67 1.52 0.00 0.00 0.00 0.00 0.00 61.98 64.17 1j3t s VAL 37 Cb -0.27 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.44 1j3t s VAL 37 CO 0.25 -0.21 0.00 0.18 0.00 0.00 0.00 175.10 175.32 1j3t n LEU 38 N -0.41 0.97 -3.78 3.92 4.77 0.03 -3.71 117.00 118.80 1j3t n LEU 38 Ca 0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 1j3t n LEU 38 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 1j3t n LEU 38 CO 0.39 0.16 -0.02 -0.70 -1.33 0.00 0.00 177.39 175.89 1j3t s GLU 39 N -1.37 0.59 -0.26 3.23 2.12 -0.98 -4.98 118.70 117.04 1j3t s GLU 39 Ca 0.00 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.15 1j3t s GLU 39 Cb 0.00 0.26 0.09 0.00 0.26 0.00 0.00 34.13 34.74 1j3t s GLU 39 CO 0.00 -0.15 0.10 -0.65 -0.54 0.00 0.00 175.26 174.02 1j3t s GLN 40 N -1.13 0.40 0.51 4.30 -0.21 -1.26 -0.92 119.66 121.36 1j3t s GLN 40 Ca -0.12 -0.58 -0.08 0.00 0.02 0.00 0.00 55.36 54.60 1j3t s GLN 40 Cb -0.05 -1.67 0.12 0.00 1.00 0.00 0.00 33.01 32.40 1j3t s GLN 40 CO 0.03 -0.88 0.70 1.04 -2.12 0.00 0.00 175.29 174.06 1j3t n GLN 41 N 5.11 -0.62 -0.50 2.91 1.13 -0.13 -4.94 117.38 120.34 1j3t n GLN 41 Ca -0.06 -1.13 0.40 0.00 -1.94 0.00 0.00 57.00 54.27 1j3t n GLN 41 Cb 0.44 -0.70 0.65 0.00 0.11 0.00 0.00 30.24 30.74 1j3t n GLN 41 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1j3t n GLU 42 N -2.47 -0.02 0.02 -1.09 0.28 -1.26 -4.20 120.64 111.90 1j3t n GLU 42 Ca 0.09 1.07 0.00 0.00 -0.16 0.00 0.00 57.16 58.16 1j3t n GLU 42 Cb 0.31 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 30.96 1j3t n GLU 42 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j3t n ASN 43 N -4.24 -0.33 -4.69 -1.84 3.02 -1.26 -5.08 115.26 100.85 1j3t n ASN 43 Ca 0.37 0.08 -0.42 0.00 -0.03 0.00 0.00 54.58 54.58 1j3t n ASN 43 Cb 1.54 0.68 -0.03 0.00 -0.61 0.00 0.00 39.78 41.36 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 -2.00 3.16 0.12 3.10 0.52 -1.26 -0.48 118.94 122.10 1j3t s TRP 44 Ca 0.00 1.19 0.08 0.00 0.02 0.00 0.00 56.10 57.40 1j3t s TRP 44 Cb 0.00 -3.43 -0.04 0.00 -1.15 0.00 0.00 33.47 28.85 1j3t s TRP 44 CO 0.00 -1.36 -0.14 -1.58 0.02 0.00 0.00 176.95 173.89 1j3t s TRP 45 N 2.29 2.62 -0.13 -1.98 0.52 0.33 -0.96 118.94 121.64 1j3t s TRP 45 Ca 0.56 -0.22 -0.07 0.00 0.02 0.00 0.00 56.10 56.39 1j3t s TRP 45 Cb -0.25 -1.38 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1j3t s TRP 45 CO 0.22 0.41 0.12 0.12 0.02 0.00 0.00 176.95 177.84 1j3t s PHE 46 N -1.21 3.52 0.30 -1.98 5.36 -0.10 -0.79 117.98 123.10 1j3t s PHE 46 Ca 0.20 0.46 -0.18 0.00 -0.96 0.00 0.00 56.93 56.44 1j3t s PHE 46 Cb -0.11 -1.96 0.07 0.00 -0.34 0.00 0.00 43.02 40.68 1j3t s PHE 46 CO 0.12 0.63 0.90 0.20 -1.46 0.00 0.00 175.22 175.62 1j3t s GLY 47 N -0.77 0.29 -0.05 13.12 0.00 -0.62 -0.79 107.32 118.50 1j3t s GLY 47 Ca 0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.23 1j3t s GLY 47 CO 0.03 1.00 0.02 1.85 0.00 0.00 0.00 173.10 176.00 1j3t s GLU 48 N -2.13 0.28 0.07 2.90 2.12 0.43 -1.43 118.70 120.94 1j3t s GLU 48 Ca 0.19 0.21 -0.13 0.00 0.36 0.00 0.00 54.97 55.59 1j3t s GLU 48 Cb -0.04 -0.70 0.02 0.00 0.26 0.00 0.00 34.13 33.67 1j3t s GLU 48 CO 0.09 -0.28 0.30 0.54 -0.54 0.00 0.00 175.26 175.37 1j3t s VAL 49 N 1.86 0.09 0.00 3.70 0.11 -0.17 -1.79 120.40 124.21 1j3t s VAL 49 Ca 0.02 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 1j3t s VAL 49 Cb -0.12 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.67 1j3t s VAL 49 CO -0.04 -0.42 0.00 1.41 -3.33 0.00 0.00 175.10 172.72 1j3t n HIS 50 N 0.32 0.00 0.00 1.54 8.25 -1.26 -2.43 115.22 121.64 1j3t n HIS 50 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1j3t n HIS 50 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 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 0.00 0.00 3.60 -1.41 0.00 -1.26 -5.17 105.19 100.95 1j3t n GLY 51 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 -0.32 0.49 -0.02 0.00 -1.02 -5.19 107.32 101.26 1j3t s GLY 52 Ca 0.00 1.39 0.08 0.00 0.00 0.00 0.00 44.72 46.18 1j3t s GLY 52 CO 0.00 0.44 0.53 0.50 0.00 0.00 0.00 173.10 174.56 1j3t s ARG 53 N -2.45 2.46 0.00 2.90 0.52 -1.26 -1.00 118.95 120.11 1j3t s ARG 53 Ca 0.10 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.68 1j3t s ARG 53 Cb 0.00 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.02 1j3t s ARG 53 CO -0.05 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.20 1j3t n GLY 54 N -1.83 1.27 3.84 -3.53 0.00 -0.51 -4.34 105.19 100.08 1j3t n GLY 54 Ca 0.06 -1.19 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.99 3.41 0.08 1.61 0.52 0.58 -1.58 118.94 121.58 1j3t s TRP 55 Ca 0.00 1.43 -0.26 0.00 0.02 0.00 0.00 56.10 57.30 1j3t s TRP 55 Cb 0.00 -2.74 0.08 0.00 -1.15 0.00 0.00 33.47 29.66 1j3t s TRP 55 CO 0.00 -0.23 0.69 -0.59 0.02 0.00 0.00 176.95 176.83 1j3t s PHE 56 N -2.43 -0.51 -0.05 -1.98 -0.12 0.03 -0.73 117.98 112.20 1j3t s PHE 56 Ca 0.58 0.43 -0.30 0.00 -0.05 0.00 0.00 56.93 57.60 1j3t s PHE 56 Cb -0.10 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1j3t s PHE 56 CO 0.25 -0.73 1.23 -1.25 -0.05 0.00 0.00 175.22 174.67 1j3t s PRO 57 N -3.15 4.34 0.59 1.99 0.04 -1.26 -0.51 135.00 137.04 1j3t s PRO 57 Ca -0.00 1.72 0.39 0.00 0.04 0.00 0.00 61.00 63.15 1j3t s PRO 57 Cb -0.01 -3.56 2.09 0.00 0.04 0.00 0.00 34.50 33.05 1j3t s PRO 57 CO -0.08 -0.47 2.20 1.57 0.04 0.00 0.00 177.00 180.26 1j3t h LYS 58 N 7.52 0.00 0.00 4.56 2.10 -1.13 -2.22 116.57 127.40 1j3t h LYS 58 Ca -0.35 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.29 1j3t h LYS 58 Cb 1.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1j3t h LYS 58 CO 0.88 0.00 -0.07 0.66 -2.00 0.00 0.00 179.45 178.93 1j3t h SER 59 N 0.00 0.00 -0.07 7.07 4.64 -1.91 -2.46 113.55 120.81 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 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1j3t h SER 59 CO 0.00 0.07 0.00 -1.22 -0.87 0.00 0.00 176.83 174.81 1j3t n TYR 60 N -3.71 0.09 -4.34 4.77 4.02 -0.84 -4.90 117.16 112.26 1j3t n TYR 60 Ca -0.02 -0.04 -0.20 0.00 -0.01 0.00 0.00 57.90 57.62 1j3t n TYR 60 Cb 0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.40 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 -1.91 0.19 0.00 -0.72 -7.23 -0.93 -0.02 120.40 109.78 1j3t s VAL 61 Ca 0.33 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1j3t s VAL 61 Cb 0.17 -2.46 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 1j3t s VAL 61 CO 0.27 0.00 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.44 1j3t s LYS 62 N -3.62 0.22 0.60 4.82 -2.85 0.39 -4.78 119.74 114.52 1j3t s LYS 62 Ca 0.36 -0.15 -0.19 0.00 -1.00 0.00 0.00 55.97 54.99 1j3t s LYS 62 Cb 0.03 -0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 35.59 1j3t s LYS 62 CO 0.22 0.05 1.25 0.42 0.10 0.00 0.00 175.35 177.38 1j3t s ILE 63 N -0.20 2.39 0.08 3.79 1.01 -1.26 -1.06 121.20 125.95 1j3t s ILE 63 Ca -0.01 0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.97 1j3t s ILE 63 Cb -0.02 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 1j3t s ILE 63 CO -0.00 -0.05 -0.20 -0.63 0.00 0.00 0.00 174.94 174.06 1j3t s ILE 64 N -1.50 1.64 -2.65 2.92 1.01 -1.06 -4.84 121.20 116.73 1j3t s ILE 64 Ca 0.78 -1.42 0.24 0.00 0.00 0.00 0.00 60.65 60.25 1j3t s ILE 64 Cb -0.34 -1.48 0.35 0.00 0.01 0.00 0.00 42.46 41.01 1j3t s ILE 64 CO 0.37 0.00 1.37 -0.81 0.00 0.00 0.00 174.94 175.87 1j3t n PRO 65 N 1.33 2.42 -3.12 2.79 -0.04 -1.26 -4.67 135.00 132.44 1j3t n PRO 65 Ca -0.19 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1j3t n PRO 65 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 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 1.45 -1.29 0.80 0.55 0.00 -1.26 -3.83 105.19 101.59 1j3t n GLY 66 Ca 0.18 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 0.36 0.00 -1.46 1.61 3.41 -1.26 -5.08 113.62 111.20 1j3t n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1j3t n SER 67 Cb 0.00 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1j3t n SER 67 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1j3t n GLU 68 N -1.60 -3.95 -3.68 4.33 2.13 -1.26 -4.92 120.64 111.69 1j3t n GLU 68 Ca 0.00 3.03 -0.38 0.00 0.66 0.00 0.00 57.16 60.47 1j3t n GLU 68 Cb 0.00 -3.67 -0.09 0.00 0.27 0.00 0.00 31.44 27.95 1j3t n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1j3t s SER 69 N -4.64 5.42 0.06 4.31 0.01 -1.26 -5.04 113.70 112.56 1j3t s SER 69 Ca 0.00 -2.63 -0.12 0.00 1.31 0.00 0.00 55.95 54.51 1j3t s SER 69 Cb 0.00 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1j3t s SER 69 CO 0.00 -0.44 0.94 0.61 0.41 0.00 0.00 173.24 174.76 1j3t n GLY 70 N 3.83 -2.09 3.05 3.44 0.00 -1.26 -2.53 105.19 109.63 1j3t n GLY 70 Ca 0.05 0.66 -0.42 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.89 2.05 -3.32 1.61 -0.04 -1.26 -4.70 135.00 125.45 1j3t n PRO 71 Ca 0.01 -2.23 -0.11 0.00 -0.04 0.00 0.00 63.50 61.13 1j3t n PRO 71 Cb 0.10 -3.14 -0.06 0.00 -0.04 0.00 0.00 33.50 30.35 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 4.50 0.57 -0.09 3.54 0.15 -1.05 -5.10 113.70 116.21 1j3t s SER 72 Ca 0.55 -0.77 -0.29 0.00 0.70 0.00 0.00 55.95 56.13 1j3t s SER 72 Cb 0.12 0.97 -0.05 0.00 -1.71 0.00 0.00 66.02 65.35 1j3t s SER 72 CO 0.05 -0.32 1.76 -0.44 1.20 0.00 0.00 173.24 175.50 1j3t s SER 73 N 2.18 6.44 0.00 5.45 0.01 -1.26 -5.03 113.70 121.48 1j3t s SER 73 Ca 0.12 2.14 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1j3t s SER 73 Cb -0.13 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1j3t s SER 73 CO -0.22 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 172.91