#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 6.08 0.11 1.61 0.01 -1.26 -4.96 113.70 115.29 1j3t s SER 2 Ca 0.00 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1j3t s SER 2 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1j3t s SER 2 CO 0.00 -0.90 0.00 -1.20 0.41 0.00 0.00 173.24 171.55 1j3t n SER 3 N -2.69 -4.63 0.19 2.44 7.64 -1.26 -5.09 113.62 110.23 1j3t n SER 3 Ca 0.05 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1j3t n SER 3 Cb 0.55 -1.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 1j3t n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j3t n GLY 4 N 0.20 -1.67 3.59 0.23 0.00 -1.26 -5.07 105.19 101.20 1j3t n GLY 4 Ca 0.00 0.39 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.34 -1.92 0.00 1.61 2.88 -1.26 -4.85 113.62 106.74 1j3t n SER 5 Ca 0.00 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1j3t n SER 5 Cb 0.00 -4.44 0.00 0.00 -0.75 0.00 0.00 64.21 59.02 1j3t n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1j3t n SER 6 N -3.08 0.00 -1.02 -3.46 2.88 -1.26 -4.91 113.62 102.78 1j3t n SER 6 Ca -0.28 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1j3t n SER 6 Cb 0.67 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.28 1j3t n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1j3t n GLY 7 N 0.07 4.90 2.23 0.46 0.00 -1.26 -5.09 105.19 106.51 1j3t n GLY 7 Ca 0.00 -1.52 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 1j3t n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1j3t n VAL 8 N -0.87 0.00 -3.48 1.61 0.24 -1.26 -5.11 118.33 109.46 1j3t n VAL 8 Ca 0.22 -0.09 -0.01 0.00 -2.04 0.00 0.00 64.34 62.43 1j3t n VAL 8 Cb 0.79 -0.80 -0.00 0.00 -1.47 0.00 0.00 33.84 32.36 1j3t n VAL 8 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1j3t n GLU 9 N -4.42 0.04 -0.53 7.34 2.13 -1.26 -5.17 120.64 118.77 1j3t n GLU 9 Ca 0.10 -0.15 -0.28 0.00 0.66 0.00 0.00 57.16 57.48 1j3t n GLU 9 Cb 0.41 0.15 0.26 0.00 0.27 0.00 0.00 31.44 32.53 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 -1.12 0.58 0.62 4.31 0.01 -1.26 -5.00 114.94 113.07 1j3t s ASN 10 Ca 0.01 1.37 -0.18 0.00 -0.71 0.00 0.00 52.86 53.35 1j3t s ASN 10 Cb -0.00 -2.11 -0.02 0.00 0.41 0.00 0.00 41.25 39.53 1j3t s ASN 10 CO 0.01 -4.43 1.21 -0.22 -1.51 0.00 0.00 177.10 172.16 1j3t s LEU 11 N -7.33 3.60 0.14 0.60 2.96 -1.24 -4.87 118.68 112.54 1j3t s LEU 11 Ca 0.69 2.38 0.08 0.00 -0.22 0.00 0.00 54.13 57.06 1j3t s LEU 11 Cb -0.23 -4.60 -0.04 0.00 0.50 0.00 0.00 46.19 41.82 1j3t s LEU 11 CO 0.64 -1.70 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.24 1j3t s LYS 12 N -3.44 1.21 -0.01 1.98 1.02 -1.26 -0.09 119.74 119.15 1j3t s LYS 12 Ca 0.77 -1.32 0.01 0.00 0.02 0.00 0.00 55.97 55.46 1j3t s LYS 12 Cb -0.30 -1.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.69 1j3t s LYS 12 CO 0.35 0.28 -0.04 0.00 -0.92 0.00 0.00 175.35 175.02 1j3t s ALA 13 N -1.77 0.43 -0.21 5.17 0.00 -0.40 -2.57 121.76 122.40 1j3t s ALA 13 Ca 0.12 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 1j3t s ALA 13 Cb -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1j3t s ALA 13 CO 0.06 0.07 0.47 -1.14 0.00 0.00 0.00 175.76 175.22 1j3t s GLN 14 N 0.10 4.15 0.63 0.00 0.74 -0.41 -1.08 119.66 123.80 1j3t s GLN 14 Ca -0.01 0.30 -0.18 0.00 0.05 0.00 0.00 55.36 55.52 1j3t s GLN 14 Cb -0.04 -3.57 -0.02 0.00 1.10 0.00 0.00 33.01 30.47 1j3t s GLN 14 CO -0.00 -0.15 1.24 0.00 -0.55 0.00 0.00 175.29 175.83 1j3t n ALA 15 N 4.84 1.02 0.57 1.58 0.00 0.16 -1.64 120.51 127.05 1j3t n ALA 15 Ca -0.06 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1j3t n ALA 15 Cb 0.51 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.61 0.57 -4.03 0.00 4.77 0.52 -1.62 117.00 115.61 1j3t n LEU 16 Ca 0.15 -0.49 -0.12 0.00 -0.03 0.00 0.00 56.01 55.51 1j3t n LEU 16 Cb 0.48 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1j3t n LEU 16 CO 0.48 0.14 0.20 0.00 -1.33 0.00 0.00 177.39 176.88 1j3t s SER 18 N -3.16 6.35 -0.03 0.00 1.04 -1.26 -2.63 113.70 114.01 1j3t s SER 18 Ca 0.26 0.41 -0.01 0.00 0.48 0.00 0.00 55.95 57.10 1j3t s SER 18 Cb -0.01 -2.23 0.03 0.00 0.10 0.00 0.00 66.02 63.91 1j3t s SER 18 CO 0.16 -0.16 0.04 0.86 0.98 0.00 0.00 173.24 175.12 1j3t s TRP 19 N 1.83 0.02 0.83 5.02 -0.00 -0.57 -4.90 118.94 121.17 1j3t s TRP 19 Ca 0.18 0.19 -0.10 0.00 -0.00 0.00 0.00 56.10 56.36 1j3t s TRP 19 Cb -0.15 -0.29 0.09 0.00 -0.00 0.00 0.00 33.47 33.12 1j3t s TRP 19 CO 0.09 -0.12 1.11 0.95 -0.00 0.00 0.00 176.95 178.98 1j3t s THR 20 N 1.36 2.89 0.75 5.86 -4.23 -1.26 -2.14 115.64 118.87 1j3t s THR 20 Ca -0.06 0.29 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 1j3t s THR 20 Cb -0.13 -2.63 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1j3t s THR 20 CO -0.03 -0.38 1.08 0.00 -0.54 0.00 0.00 174.62 174.75 1j3t s ALA 21 N -2.83 2.52 0.00 3.99 0.00 -1.21 -4.72 121.76 119.52 1j3t s ALA 21 Ca 0.63 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1j3t s ALA 21 Cb -0.19 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1j3t s ALA 21 CO 0.57 -1.43 0.00 1.63 0.00 0.00 0.00 175.76 176.52 1j3t n LYS 22 N -3.24 0.00 -1.58 0.00 5.02 -1.26 -5.03 118.16 112.07 1j3t n LYS 22 Ca 0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 1j3t n LYS 22 Cb 0.56 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.65 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 -0.52 2.26 0.39 1.97 -0.14 -1.26 -4.93 119.74 117.51 1j3t s LYS 23 Ca 0.00 0.68 0.13 0.00 -1.36 0.00 0.00 55.97 55.42 1j3t s LYS 23 Cb 0.00 -1.94 0.95 0.00 -1.68 0.00 0.00 37.83 35.16 1j3t s LYS 23 CO 0.00 -1.50 1.86 -0.44 -0.76 0.00 0.00 175.35 174.51 1j3t h ASP 24 N -1.00 0.53 -0.42 2.83 5.19 -2.03 -1.78 116.42 119.74 1j3t h ASP 24 Ca -0.46 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1j3t h ASP 24 Cb 1.26 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1j3t h ASP 24 CO 0.59 0.24 0.00 -3.20 -3.12 0.00 0.00 179.24 173.75 1j3t n ASN 25 N -4.55 3.16 -4.82 6.45 5.15 -1.26 -4.99 115.26 114.41 1j3t n ASN 25 Ca 0.18 -1.95 -0.29 0.00 -0.60 0.00 0.00 54.58 51.92 1j3t n ASN 25 Cb 0.58 -0.28 0.10 0.00 -0.53 0.00 0.00 39.78 39.65 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 -1.45 2.78 0.22 1.20 3.76 -0.67 -0.30 115.29 120.83 1j3t s HIS 26 Ca 0.39 0.96 0.05 0.00 -0.15 0.00 0.00 55.06 56.31 1j3t s HIS 26 Cb 0.22 -3.27 -0.03 0.00 1.11 0.00 0.00 32.58 30.60 1j3t s HIS 26 CO 0.30 -1.94 0.28 -1.17 -0.85 0.00 0.00 174.74 171.37 1j3t s LEU 27 N -5.80 4.14 -0.05 0.89 1.98 -0.51 -4.11 118.68 115.22 1j3t s LEU 27 Ca 0.62 -0.02 0.03 0.00 -2.89 0.00 0.00 54.13 51.87 1j3t s LEU 27 Cb -0.14 -2.69 0.01 0.00 0.66 0.00 0.00 46.19 44.03 1j3t s LEU 27 CO 0.53 -0.03 -0.11 0.54 -1.89 0.00 0.00 176.35 175.39 1j3t s ASN 28 N -3.72 1.59 0.22 3.68 6.03 -1.26 -3.32 114.94 118.16 1j3t s ASN 28 Ca 0.33 -0.26 0.00 0.00 -1.03 0.00 0.00 52.86 51.91 1j3t s ASN 28 Cb -0.09 -0.59 -0.04 0.00 -3.03 0.00 0.00 41.25 37.50 1j3t s ASN 28 CO 0.27 0.06 0.15 0.72 -2.03 0.00 0.00 177.10 176.27 1j3t s PHE 29 N 0.42 1.26 0.51 1.54 -0.12 -0.91 -4.89 117.98 115.78 1j3t s PHE 29 Ca -0.09 -1.40 0.07 0.00 -0.05 0.00 0.00 56.93 55.46 1j3t s PHE 29 Cb -0.13 -0.60 0.02 0.00 -0.63 0.00 0.00 43.02 41.68 1j3t s PHE 29 CO 0.02 -0.65 0.43 -1.12 -0.05 0.00 0.00 175.22 173.85 1j3t s SER 30 N -3.20 4.78 0.19 1.98 0.01 -1.26 -1.51 113.70 114.69 1j3t s SER 30 Ca 0.39 -1.06 -0.32 0.00 1.31 0.00 0.00 55.95 56.27 1j3t s SER 30 Cb 0.06 0.09 -0.11 0.00 0.21 0.00 0.00 66.02 66.27 1j3t s SER 30 CO 0.14 -0.98 1.66 -0.75 0.41 0.00 0.00 173.24 173.73 1j3t s LYS 31 N -4.26 4.16 0.00 12.44 2.20 -1.08 -2.42 119.74 130.77 1j3t s LYS 31 Ca 0.41 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 1j3t s LYS 31 Cb -0.02 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1j3t s LYS 31 CO 0.25 -0.70 0.00 0.72 -0.36 0.00 0.00 175.35 175.26 1j3t n HIS 32 N 4.04 0.00 -2.01 4.03 8.25 -0.64 -4.94 115.22 123.96 1j3t n HIS 32 Ca 0.15 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.22 1j3t n HIS 32 Cb 0.37 -0.81 0.01 0.00 1.12 0.00 0.00 29.99 30.67 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 -2.18 6.05 -0.14 0.41 1.01 -1.02 -4.67 116.67 116.14 1j3t s ASP 33 Ca 0.00 2.65 -0.17 0.00 0.71 0.00 0.00 52.55 55.74 1j3t s ASP 33 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1j3t s ASP 33 CO 0.00 -1.03 0.45 -0.63 0.21 0.00 0.00 175.17 174.17 1j3t s ILE 34 N -1.31 5.19 -0.06 0.77 -1.09 -1.26 -0.66 121.20 122.79 1j3t s ILE 34 Ca 0.61 0.88 0.05 0.00 -2.23 0.00 0.00 60.65 59.96 1j3t s ILE 34 Cb -0.38 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 36.71 1j3t s ILE 34 CO 0.47 0.30 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.63 1j3t s ILE 35 N 0.83 1.86 -0.22 2.92 1.09 -0.24 -4.83 121.20 122.61 1j3t s ILE 35 Ca 0.24 -0.95 -0.29 0.00 -1.10 0.00 0.00 60.65 58.55 1j3t s ILE 35 Cb -0.15 -1.58 -0.02 0.00 -1.06 0.00 0.00 42.46 39.65 1j3t s ILE 35 CO 0.09 0.52 1.52 -0.89 -0.10 0.00 0.00 174.94 176.08 1j3t s THR 36 N -0.05 3.83 0.20 2.92 2.01 0.02 -1.27 115.64 123.30 1j3t s THR 36 Ca -0.05 0.95 -0.23 0.00 0.31 0.00 0.00 61.69 62.67 1j3t s THR 36 Cb -0.13 -3.81 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 1j3t s THR 36 CO 0.04 -0.30 0.77 -0.69 -0.69 0.00 0.00 174.62 173.74 1j3t s VAL 37 N 4.78 4.44 0.17 3.82 1.01 0.88 -0.42 120.40 135.08 1j3t s VAL 37 Ca 0.67 1.53 0.00 0.00 0.00 0.00 0.00 61.98 64.18 1j3t s VAL 37 Cb -0.23 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1j3t s VAL 37 CO 0.27 0.36 0.00 0.18 0.00 0.00 0.00 175.10 175.90 1j3t n LEU 38 N 1.14 0.12 -4.28 3.92 4.77 -1.02 -3.68 117.00 117.95 1j3t n LEU 38 Ca -0.04 0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 55.98 1j3t n LEU 38 Cb 0.50 0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.61 1j3t n LEU 38 CO 0.45 -0.70 -0.52 -0.70 -1.33 0.00 0.00 177.39 174.58 1j3t s GLU 39 N -1.71 1.25 -0.26 3.23 2.12 -0.95 -5.00 118.70 117.39 1j3t s GLU 39 Ca 0.00 -1.10 -0.01 0.00 0.36 0.00 0.00 54.97 54.22 1j3t s GLU 39 Cb 0.00 -1.48 0.08 0.00 0.26 0.00 0.00 34.13 32.99 1j3t s GLU 39 CO 0.00 0.36 0.05 -0.65 -0.54 0.00 0.00 175.26 174.47 1j3t s GLN 40 N -1.67 0.87 0.94 4.30 -0.21 -1.26 -0.16 119.66 122.48 1j3t s GLN 40 Ca 0.07 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 54.45 1j3t s GLN 40 Cb -0.10 -2.17 0.23 0.00 1.00 0.00 0.00 33.01 31.98 1j3t s GLN 40 CO 0.04 -0.79 0.79 1.04 -2.12 0.00 0.00 175.29 174.24 1j3t n GLN 41 N 4.87 -2.81 -0.32 2.91 1.13 0.19 -4.92 117.38 118.42 1j3t n GLN 41 Ca -0.06 -1.27 0.19 0.00 -1.94 0.00 0.00 57.00 53.91 1j3t n GLN 41 Cb 0.44 -1.24 0.39 0.00 0.11 0.00 0.00 30.24 29.94 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 0.35 0.00 -1.09 4.11 -2.03 -3.36 114.58 112.57 1j3t h GLU 42 Ca -0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1j3t h GLU 42 Cb 0.94 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1j3t h GLU 42 CO 0.20 0.23 0.00 0.09 0.07 0.00 0.00 179.01 179.60 1j3t n ASN 43 N -5.05 0.00 -4.85 3.06 4.13 -1.26 -5.09 115.26 106.19 1j3t n ASN 43 Ca 0.27 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 56.16 1j3t n ASN 43 Cb 0.82 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 39.00 1j3t n ASN 43 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1j3t s TRP 44 N -0.72 3.67 -0.03 3.10 0.52 -1.26 -1.38 118.94 122.83 1j3t s TRP 44 Ca 0.00 0.85 0.05 0.00 0.02 0.00 0.00 56.10 57.02 1j3t s TRP 44 Cb 0.00 -2.19 -0.01 0.00 -1.15 0.00 0.00 33.47 30.13 1j3t s TRP 44 CO 0.00 0.63 -0.19 -1.58 0.02 0.00 0.00 176.95 175.83 1j3t s TRP 45 N -1.15 1.80 -0.57 -1.98 0.52 0.06 -0.64 118.94 116.97 1j3t s TRP 45 Ca 0.24 -0.46 -0.19 0.00 0.02 0.00 0.00 56.10 55.72 1j3t s TRP 45 Cb -0.15 -1.19 0.09 0.00 -1.15 0.00 0.00 33.47 31.07 1j3t s TRP 45 CO 0.13 -0.12 0.69 0.12 0.02 0.00 0.00 176.95 177.79 1j3t s PHE 46 N -0.16 3.00 0.28 -1.98 5.36 0.78 -1.31 117.98 123.94 1j3t s PHE 46 Ca 0.00 -0.82 0.04 0.00 -0.96 0.00 0.00 56.93 55.19 1j3t s PHE 46 Cb -0.10 -3.89 -0.06 0.00 -0.34 0.00 0.00 43.02 38.62 1j3t s PHE 46 CO 0.01 -1.24 0.01 0.20 -1.46 0.00 0.00 175.22 172.74 1j3t s GLY 47 N 3.37 1.83 -0.07 13.12 0.00 -0.99 -2.23 107.32 122.34 1j3t s GLY 47 Ca 0.13 -1.92 0.04 0.00 0.00 0.00 0.00 44.72 42.97 1j3t s GLY 47 CO 0.08 -1.77 -0.20 1.85 0.00 0.00 0.00 173.10 173.06 1j3t s GLU 48 N -3.84 2.37 0.05 2.90 2.12 0.44 -2.14 118.70 120.60 1j3t s GLU 48 Ca 0.32 -0.71 -0.12 0.00 0.36 0.00 0.00 54.97 54.82 1j3t s GLU 48 Cb 0.06 -1.90 0.01 0.00 0.26 0.00 0.00 34.13 32.57 1j3t s GLU 48 CO 0.12 0.19 0.26 0.54 -0.54 0.00 0.00 175.26 175.83 1j3t s VAL 49 N 0.28 0.10 -1.80 3.70 0.11 -0.76 -0.80 120.40 121.23 1j3t s VAL 49 Ca -0.12 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.11 1j3t s VAL 49 Cb -0.15 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.69 1j3t s VAL 49 CO 0.05 -0.45 0.00 1.41 -3.33 0.00 0.00 175.10 172.78 1j3t n HIS 50 N 0.46 -0.46 -1.71 1.54 8.25 -1.26 -0.58 115.22 121.45 1j3t n HIS 50 Ca -0.18 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.11 1j3t n HIS 50 Cb 0.60 -3.29 -0.06 0.00 1.12 0.00 0.00 29.99 28.36 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 -0.54 1.19 3.14 -1.41 0.00 -1.26 -4.99 105.19 101.33 1j3t n GLY 51 Ca -0.19 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.67 1.57 0.72 -0.02 0.00 0.25 -5.12 107.32 102.06 1j3t s GLY 52 Ca 0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 44.72 43.13 1j3t s GLY 52 CO 0.00 0.48 1.08 0.50 0.00 0.00 0.00 173.10 175.16 1j3t s ARG 53 N 1.26 2.58 -0.01 2.90 0.52 -1.26 -1.82 118.95 123.11 1j3t s ARG 53 Ca -0.01 1.15 -0.06 0.00 -0.52 0.00 0.00 55.73 56.29 1j3t s ARG 53 Cb -0.17 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.39 1j3t s ARG 53 CO -0.07 -1.40 0.27 0.41 0.02 0.00 0.00 175.30 174.54 1j3t n GLY 54 N -1.29 0.43 3.50 -3.53 0.00 -0.91 -4.68 105.19 98.71 1j3t n GLY 54 Ca 0.09 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.40 2.56 0.04 1.61 0.52 0.59 -2.35 118.94 119.52 1j3t s TRP 55 Ca 0.06 -0.25 -0.12 0.00 0.02 0.00 0.00 56.10 55.82 1j3t s TRP 55 Cb -0.00 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.97 1j3t s TRP 55 CO -0.00 0.39 0.25 -0.59 0.02 0.00 0.00 176.95 177.01 1j3t s PHE 56 N -1.14 -0.03 -0.14 -1.98 -0.12 -0.43 -1.42 117.98 112.72 1j3t s PHE 56 Ca 0.18 -0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 56.62 1j3t s PHE 56 Cb -0.11 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1j3t s PHE 56 CO 0.10 -0.47 1.50 -1.25 -0.05 0.00 0.00 175.22 175.06 1j3t s PRO 57 N -2.55 4.10 0.66 1.99 0.05 -1.26 -0.76 135.00 137.23 1j3t s PRO 57 Ca -0.05 1.86 0.43 0.00 0.05 0.00 0.00 61.00 63.28 1j3t s PRO 57 Cb -0.01 -3.92 2.34 0.00 0.05 0.00 0.00 34.50 32.96 1j3t s PRO 57 CO -0.04 -0.91 2.34 1.57 0.05 0.00 0.00 177.00 180.01 1j3t h LYS 58 N 9.34 0.00 0.00 4.56 2.10 -1.58 -2.60 116.57 128.39 1j3t h LYS 58 Ca -0.33 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.30 1j3t h LYS 58 Cb 1.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 1j3t h LYS 58 CO 0.97 0.00 -0.07 0.66 -2.00 0.00 0.00 179.45 179.01 1j3t h SER 59 N 0.00 0.00 0.00 7.07 4.64 -1.91 -1.62 113.55 121.72 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 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 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 -3.75 0.00 -4.29 4.77 4.02 -0.98 -4.83 117.16 112.10 1j3t n TYR 60 Ca -0.02 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.69 1j3t n TYR 60 Cb 0.17 0.00 -0.09 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 -2.00 0.10 0.00 -0.72 -7.23 -0.61 -0.36 120.40 109.58 1j3t s VAL 61 Ca 0.27 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 1j3t s VAL 61 Cb 0.13 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1j3t s VAL 61 CO 0.21 0.00 -0.05 -1.59 -0.31 0.00 0.00 175.10 173.36 1j3t s LYS 62 N -3.72 0.38 0.40 4.82 -2.85 -0.65 -4.87 119.74 113.25 1j3t s LYS 62 Ca 0.38 -0.24 -0.27 0.00 -1.00 0.00 0.00 55.97 54.85 1j3t s LYS 62 Cb 0.04 -0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 35.38 1j3t s LYS 62 CO 0.21 0.09 1.39 0.42 0.10 0.00 0.00 175.35 177.55 1j3t s ILE 63 N -0.28 2.32 0.02 3.79 1.01 -1.26 -1.29 121.20 125.52 1j3t s ILE 63 Ca 0.00 0.30 0.08 0.00 0.00 0.00 0.00 60.65 61.03 1j3t s ILE 63 Cb -0.03 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 1j3t s ILE 63 CO -0.00 0.05 -0.22 -0.63 0.00 0.00 0.00 174.94 174.14 1j3t s ILE 64 N -1.20 2.48 -2.45 2.92 -1.09 -1.06 -4.89 121.20 115.91 1j3t s ILE 64 Ca 0.56 -1.19 0.25 0.00 -2.23 0.00 0.00 60.65 58.04 1j3t s ILE 64 Cb -0.42 -1.98 0.50 0.00 -1.58 0.00 0.00 42.46 38.98 1j3t s ILE 64 CO 0.55 0.41 1.66 -0.81 -1.23 0.00 0.00 174.94 175.52 1j3t n PRO 65 N 1.85 1.73 0.00 2.79 -0.04 -1.26 -4.68 135.00 135.40 1j3t n PRO 65 Ca -0.16 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.22 1j3t n PRO 65 Cb 0.52 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.18 2.97 0.00 0.55 0.00 -1.26 -5.04 105.19 103.59 1j3t n GLY 66 Ca 0.18 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.32 1j3t n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j3t n SER 67 N 0.00 0.92 -4.80 1.61 7.64 -1.26 -5.04 113.62 112.70 1j3t n SER 67 Ca 0.00 -1.42 -0.27 0.00 1.01 0.00 0.00 58.87 58.19 1j3t n SER 67 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 1j3t n SER 67 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1j3t s GLU 68 N -0.42 1.87 -0.31 1.43 2.56 -1.26 -5.10 118.70 117.48 1j3t s GLU 68 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.97 54.78 1j3t s GLU 68 Cb 0.00 -2.05 0.13 0.00 2.00 0.00 0.00 34.13 34.21 1j3t s GLU 68 CO 0.00 -1.55 0.26 -1.12 -0.56 0.00 0.00 175.26 172.29 1j3t s SER 69 N -4.60 2.13 0.00 -1.70 0.01 -1.26 -5.14 113.70 103.14 1j3t s SER 69 Ca 0.63 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1j3t s SER 69 Cb -0.10 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1j3t s SER 69 CO 0.47 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 174.36 1j3t n GLY 70 N 5.06 3.26 0.10 3.44 0.00 -1.26 -4.97 105.19 110.83 1j3t n GLY 70 Ca -0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 0.00 0.00 1.61 0.13 -2.08 -3.50 132.00 128.16 1j3t h PRO 71 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1j3t h PRO 71 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1j3t h PRO 71 CO 0.00 0.78 -0.05 0.43 -0.23 0.00 0.00 178.00 178.93 1j3t n SER 72 N -3.60 -3.15 -3.57 1.44 7.64 -1.26 -4.90 113.62 106.22 1j3t n SER 72 Ca -0.01 0.15 -0.13 0.00 1.01 0.00 0.00 58.87 59.89 1j3t n SER 72 Cb 0.76 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 1j3t n SER 72 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1j3t s SER 73 N -4.00 0.50 0.00 6.43 1.04 -1.26 -5.29 113.70 111.11 1j3t s SER 73 Ca 0.00 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1j3t s SER 73 Cb 0.00 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.89 1j3t s SER 73 CO 0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56