#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 6.45 0.11 1.61 1.04 -1.26 -5.00 113.70 116.65 1j3t s SER 2 Ca 0.00 2.49 0.00 0.00 0.48 0.00 0.00 55.95 58.92 1j3t s SER 2 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1j3t s SER 2 CO 0.00 -1.07 -0.01 -0.44 0.98 0.00 0.00 173.24 172.70 1j3t s SER 3 N 4.34 0.73 0.00 7.02 0.01 -1.26 -5.07 113.70 119.47 1j3t s SER 3 Ca 0.85 -1.09 0.27 0.00 1.31 0.00 0.00 55.95 57.28 1j3t s SER 3 Cb -0.39 0.19 0.79 0.00 0.21 0.00 0.00 66.02 66.81 1j3t s SER 3 CO 0.38 -0.60 1.59 0.61 0.41 0.00 0.00 173.24 175.63 1j3t n GLY 4 N -0.04 0.08 2.75 3.44 0.00 -1.26 -5.00 105.19 105.15 1j3t n GLY 4 Ca -0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 0.24 -5.26 -3.64 1.61 2.88 -1.26 -5.08 113.62 103.11 1j3t n SER 5 Ca 0.16 1.29 -0.10 0.00 -1.33 0.00 0.00 58.87 58.89 1j3t n SER 5 Cb 0.40 -4.76 -0.07 0.00 -0.75 0.00 0.00 64.21 59.03 1j3t n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1j3t s SER 6 N -1.16 -0.60 -0.87 -3.46 1.04 -1.26 -4.99 113.70 102.41 1j3t s SER 6 Ca -0.10 1.12 -0.04 0.00 0.48 0.00 0.00 55.95 57.41 1j3t s SER 6 Cb 0.01 1.15 -0.02 0.00 0.10 0.00 0.00 66.02 67.26 1j3t s SER 6 CO 0.67 -0.19 0.75 0.61 0.98 0.00 0.00 173.24 176.07 1j3t n GLY 7 N 2.63 -1.20 0.00 7.32 0.00 -1.26 -5.02 105.19 107.66 1j3t n GLY 7 Ca -0.14 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.49 0.00 -0.70 1.61 0.24 -1.26 -5.04 118.33 110.69 1j3t n VAL 8 Ca -0.06 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.94 1j3t n VAL 8 Cb 0.56 -0.34 0.26 0.00 -1.47 0.00 0.00 33.84 32.85 1j3t n VAL 8 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1j3t s GLU 9 N -2.44 -1.96 1.17 7.34 2.12 -1.26 -5.04 118.70 118.63 1j3t s GLU 9 Ca 0.00 0.14 -0.15 0.00 0.36 0.00 0.00 54.97 55.32 1j3t s GLU 9 Cb 0.00 -1.49 0.28 0.00 0.26 0.00 0.00 34.13 33.17 1j3t s GLU 9 CO 0.00 -4.24 1.04 -0.80 -0.54 0.00 0.00 175.26 170.72 1j3t s ASN 10 N -3.39 1.03 0.59 -1.70 -0.87 -1.26 -5.00 114.94 104.34 1j3t s ASN 10 Ca 0.69 1.19 -0.19 0.00 -1.57 0.00 0.00 52.86 52.98 1j3t s ASN 10 Cb -0.13 -1.82 -0.04 0.00 -0.02 0.00 0.00 41.25 39.24 1j3t s ASN 10 CO 0.58 -4.12 1.23 -0.22 -2.57 0.00 0.00 177.10 172.00 1j3t s LEU 11 N -7.09 3.70 0.15 0.60 2.96 -1.25 -4.86 118.68 112.89 1j3t s LEU 11 Ca 0.68 2.46 0.11 0.00 -0.22 0.00 0.00 54.13 57.16 1j3t s LEU 11 Cb -0.20 -4.54 -0.04 0.00 0.50 0.00 0.00 46.19 41.91 1j3t s LEU 11 CO 0.61 -1.60 -0.25 -0.54 -1.32 0.00 0.00 176.35 173.25 1j3t s LYS 12 N -3.25 1.49 -0.03 1.98 1.02 -1.26 0.04 119.74 119.73 1j3t s LYS 12 Ca 0.77 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 55.38 1j3t s LYS 12 Cb -0.32 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 1j3t s LYS 12 CO 0.36 0.44 -0.05 0.00 -0.92 0.00 0.00 175.35 175.17 1j3t s ALA 13 N -1.28 0.62 -0.19 5.17 0.00 -0.70 -2.42 121.76 122.97 1j3t s ALA 13 Ca 0.17 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.73 1j3t s ALA 13 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1j3t s ALA 13 CO 0.08 0.06 0.83 -1.14 0.00 0.00 0.00 175.76 175.58 1j3t s GLN 14 N 0.45 4.27 0.53 0.00 0.74 0.05 -1.52 119.66 124.18 1j3t s GLN 14 Ca -0.06 0.99 -0.22 0.00 0.05 0.00 0.00 55.36 56.12 1j3t s GLN 14 Cb -0.10 -3.59 -0.05 0.00 1.10 0.00 0.00 33.01 30.37 1j3t s GLN 14 CO 0.00 -0.37 1.30 0.00 -0.55 0.00 0.00 175.29 175.67 1j3t s ALA 15 N 2.31 2.81 -0.28 1.58 0.00 0.21 -0.97 121.76 127.42 1j3t s ALA 15 Ca 0.37 1.21 0.22 0.00 0.00 0.00 0.00 51.96 53.76 1j3t s ALA 15 Cb -0.16 -3.51 -0.27 0.00 0.00 0.00 0.00 23.12 19.17 1j3t s ALA 15 CO 0.11 -1.20 0.63 1.28 0.00 0.00 0.00 175.76 176.58 1j3t n LEU 16 N -0.99 0.29 -3.50 0.00 4.77 0.14 -1.55 117.00 116.16 1j3t n LEU 16 Ca 0.10 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.85 1j3t n LEU 16 Cb 0.46 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 1j3t n LEU 16 CO 0.51 0.04 0.49 0.00 -1.33 0.00 0.00 177.39 177.10 1j3t s SER 18 N -1.69 5.69 -0.29 0.00 0.01 -1.26 -4.18 113.70 111.98 1j3t s SER 18 Ca -0.05 2.68 0.03 0.00 1.31 0.00 0.00 55.95 59.92 1j3t s SER 18 Cb -0.00 -2.63 0.20 0.00 0.21 0.00 0.00 66.02 63.79 1j3t s SER 18 CO 0.01 -1.28 0.59 0.86 0.41 0.00 0.00 173.24 173.83 1j3t s TRP 19 N -1.33 -1.76 0.93 2.43 -0.00 0.09 -4.83 118.94 114.48 1j3t s TRP 19 Ca 0.66 1.31 -0.11 0.00 -0.00 0.00 0.00 56.10 57.97 1j3t s TRP 19 Cb -0.38 0.41 0.16 0.00 -0.00 0.00 0.00 33.47 33.65 1j3t s TRP 19 CO 0.47 -1.01 1.12 0.95 -0.00 0.00 0.00 176.95 178.48 1j3t s THR 20 N 2.84 2.21 0.91 5.86 -4.23 -1.26 -2.74 115.64 119.23 1j3t s THR 20 Ca 0.14 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.60 1j3t s THR 20 Cb -0.12 -2.16 0.14 0.00 1.34 0.00 0.00 72.50 71.70 1j3t s THR 20 CO -0.24 -0.09 1.10 0.00 -0.54 0.00 0.00 174.62 174.84 1j3t s ALA 21 N -2.66 1.47 0.06 3.99 0.00 -1.26 -4.88 121.76 118.48 1j3t s ALA 21 Ca 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1j3t s ALA 21 Cb -0.22 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1j3t s ALA 21 CO 0.59 -2.41 0.00 1.63 0.00 0.00 0.00 175.76 175.56 1j3t n LYS 22 N -3.91 0.00 -1.68 0.00 5.02 -1.26 -5.11 118.16 111.23 1j3t n LYS 22 Ca 0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 1j3t n LYS 22 Cb 0.56 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.79 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 -1.13 -0.16 0.00 1.97 -0.14 -1.26 -5.03 119.74 113.99 1j3t s LYS 23 Ca 0.00 -0.40 0.21 0.00 -1.36 0.00 0.00 55.97 54.42 1j3t s LYS 23 Cb 0.00 -1.75 -0.17 0.00 -1.68 0.00 0.00 37.83 34.23 1j3t s LYS 23 CO 0.00 -2.95 0.94 -3.47 -0.76 0.00 0.00 175.35 169.10 1j3t n ASP 24 N -4.15 1.27 -2.00 2.83 2.03 -1.26 -4.20 116.55 111.07 1j3t n ASP 24 Ca 0.16 -1.13 -0.10 0.00 0.52 0.00 0.00 54.79 54.24 1j3t n ASP 24 Cb 0.59 0.86 0.06 0.00 -0.72 0.00 0.00 41.12 41.91 1j3t n ASP 24 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1j3t n ASN 25 N -1.08 3.10 -4.93 1.67 6.94 -1.26 -5.07 115.26 114.64 1j3t n ASN 25 Ca 0.05 -3.10 -0.26 0.00 -0.02 0.00 0.00 54.58 51.26 1j3t n ASN 25 Cb 0.36 -0.41 0.01 0.00 -2.36 0.00 0.00 39.78 37.38 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 -3.27 3.40 -0.09 -2.53 3.76 -1.26 -1.05 115.29 114.25 1j3t s HIS 26 Ca 0.40 0.56 -0.02 0.00 -0.15 0.00 0.00 55.06 55.85 1j3t s HIS 26 Cb 0.38 -2.35 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 1j3t s HIS 26 CO -0.02 -0.37 -0.05 1.25 -0.85 0.00 0.00 174.74 174.71 1j3t h LEU 27 N 0.25 0.00 -1.49 0.89 7.12 -0.84 -3.38 115.31 117.86 1j3t h LEU 27 Ca -0.47 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.54 1j3t h LEU 27 Cb 1.23 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 1j3t h LEU 27 CO 0.60 0.47 0.00 0.59 -0.13 0.00 0.00 178.44 179.97 1j3t n ASN 28 N -4.21 -1.33 -4.28 1.25 5.03 -1.26 -4.75 115.26 105.71 1j3t n ASN 28 Ca -0.02 0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.22 1j3t n ASN 28 Cb 0.07 -0.67 -0.10 0.00 -1.02 0.00 0.00 39.78 38.07 1j3t n ASN 28 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1j3t s PHE 29 N 0.00 1.77 0.44 3.10 -0.12 -1.11 -4.96 117.98 117.11 1j3t s PHE 29 Ca 0.00 -1.15 0.08 0.00 -0.05 0.00 0.00 56.93 55.81 1j3t s PHE 29 Cb 0.00 -1.11 -0.01 0.00 -0.63 0.00 0.00 43.02 41.27 1j3t s PHE 29 CO 0.00 -0.22 0.40 0.45 -0.05 0.00 0.00 175.22 175.80 1j3t s SER 30 N -3.46 5.01 0.01 1.98 0.15 -1.26 -0.73 113.70 115.39 1j3t s SER 30 Ca 0.33 -0.80 -0.31 0.00 0.70 0.00 0.00 55.95 55.87 1j3t s SER 30 Cb 0.06 -0.43 -0.10 0.00 -1.71 0.00 0.00 66.02 63.85 1j3t s SER 30 CO 0.15 -0.73 1.95 1.17 1.20 0.00 0.00 173.24 176.98 1j3t n LYS 31 N -1.60 2.70 -1.28 5.44 4.81 -1.26 -2.43 118.16 124.55 1j3t n LYS 31 Ca 0.04 0.99 -0.10 0.00 -0.87 0.00 0.00 58.31 58.37 1j3t n LYS 31 Cb 0.62 -2.92 -0.04 0.00 0.02 0.00 0.00 35.03 32.71 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 7.24 0.00 -1.65 5.64 8.25 -0.60 -4.87 115.22 129.23 1j3t n HIS 32 Ca 0.21 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.30 1j3t n HIS 32 Cb 0.38 -1.93 0.07 0.00 1.12 0.00 0.00 29.99 29.63 1j3t n HIS 32 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1j3t n ASP 33 N 0.16 1.67 -4.64 0.41 8.00 -1.02 -4.73 116.55 116.41 1j3t n ASP 33 Ca -0.10 0.80 -0.35 0.00 0.71 0.00 0.00 54.79 55.86 1j3t n ASP 33 Cb 0.34 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 39.84 1j3t n ASP 33 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j3t s ILE 34 N -1.47 4.86 -0.05 0.53 -1.09 -1.26 -0.62 121.20 122.10 1j3t s ILE 34 Ca 0.81 -0.01 0.05 0.00 -2.23 0.00 0.00 60.65 59.26 1j3t s ILE 34 Cb -0.38 -3.19 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1j3t s ILE 34 CO 0.42 0.46 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.78 1j3t s ILE 35 N 0.37 1.52 -0.49 2.92 1.09 -0.58 -4.83 121.20 121.21 1j3t s ILE 35 Ca 0.04 -0.77 -0.28 0.00 -1.10 0.00 0.00 60.65 58.54 1j3t s ILE 35 Cb -0.12 -1.30 -0.01 0.00 -1.06 0.00 0.00 42.46 39.96 1j3t s ILE 35 CO -0.00 0.43 1.75 -0.89 -0.10 0.00 0.00 174.94 176.13 1j3t s THR 36 N 0.01 3.50 0.55 2.92 2.01 -0.16 -1.71 115.64 122.75 1j3t s THR 36 Ca -0.04 0.42 -0.19 0.00 0.31 0.00 0.00 61.69 62.19 1j3t s THR 36 Cb -0.12 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 1j3t s THR 36 CO 0.02 -0.75 1.14 -0.69 -0.69 0.00 0.00 174.62 173.66 1j3t s VAL 37 N 7.63 3.11 0.00 3.82 1.01 0.11 -0.09 120.40 135.99 1j3t s VAL 37 Ca 0.69 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1j3t s VAL 37 Cb -0.16 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1j3t s VAL 37 CO 0.27 -0.15 0.00 0.18 0.00 0.00 0.00 175.10 175.40 1j3t n LEU 38 N -1.30 0.07 -4.10 3.92 4.77 0.24 -3.82 117.00 116.78 1j3t n LEU 38 Ca 0.12 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.98 1j3t n LEU 38 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1j3t n LEU 38 CO 0.42 -0.30 -0.39 -0.70 -1.33 0.00 0.00 177.39 175.09 1j3t s GLU 39 N -1.70 0.63 -0.17 3.23 2.56 -0.91 -4.96 118.70 117.38 1j3t s GLU 39 Ca 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 54.97 53.95 1j3t s GLU 39 Cb 0.00 -0.22 0.06 0.00 2.00 0.00 0.00 34.13 35.97 1j3t s GLU 39 CO 0.00 0.01 0.07 -0.65 -0.56 0.00 0.00 175.26 174.13 1j3t s GLN 40 N -2.51 0.26 0.60 4.30 -0.21 -1.26 -0.40 119.66 120.44 1j3t s GLN 40 Ca -0.01 -0.15 -0.08 0.00 0.02 0.00 0.00 55.36 55.14 1j3t s GLN 40 Cb -0.04 -1.80 0.13 0.00 1.00 0.00 0.00 33.01 32.31 1j3t s GLN 40 CO -0.02 -0.62 0.82 1.04 -2.12 0.00 0.00 175.29 174.39 1j3t n GLN 41 N 5.20 -0.54 -0.24 2.91 1.13 0.30 -4.99 117.38 121.15 1j3t n GLN 41 Ca -0.07 -1.53 -0.03 0.00 -1.94 0.00 0.00 57.00 53.42 1j3t n GLN 41 Cb 0.49 -0.76 0.02 0.00 0.11 0.00 0.00 30.24 30.10 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 -0.11 0.00 -1.09 4.11 -2.02 -3.32 114.58 112.15 1j3t h GLU 42 Ca -0.27 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1j3t h GLU 42 Cb 0.81 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1j3t h GLU 42 CO 0.22 -0.07 0.00 0.09 0.07 0.00 0.00 179.01 179.31 1j3t n ASN 43 N -5.45 0.00 -4.19 3.06 3.02 -1.26 -5.04 115.26 105.40 1j3t n ASN 43 Ca 0.06 -0.90 -0.28 0.00 -0.03 0.00 0.00 54.58 53.44 1j3t n ASN 43 Cb 0.37 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.38 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 1.91 0.08 3.10 0.52 -1.25 -0.49 118.94 122.80 1j3t s TRP 44 Ca 0.00 -0.50 0.08 0.00 0.02 0.00 0.00 56.10 55.70 1j3t s TRP 44 Cb 0.00 -1.26 -0.03 0.00 -1.15 0.00 0.00 33.47 31.03 1j3t s TRP 44 CO 0.00 -0.14 -0.22 -1.58 0.02 0.00 0.00 176.95 175.03 1j3t s TRP 45 N -0.17 1.90 0.22 -1.98 0.51 0.12 -0.54 118.94 119.01 1j3t s TRP 45 Ca -0.00 -0.39 -0.15 0.00 -2.12 0.00 0.00 56.10 53.44 1j3t s TRP 45 Cb -0.11 -1.09 -0.08 0.00 -0.81 0.00 0.00 33.47 31.39 1j3t s TRP 45 CO 0.02 0.17 0.63 0.12 -0.51 0.00 0.00 176.95 177.37 1j3t s PHE 46 N -0.97 3.53 0.19 -1.98 5.36 0.46 -0.20 117.98 124.37 1j3t s PHE 46 Ca 0.08 1.13 -0.14 0.00 -0.96 0.00 0.00 56.93 57.04 1j3t s PHE 46 Cb -0.09 -2.44 0.05 0.00 -0.34 0.00 0.00 43.02 40.20 1j3t s PHE 46 CO 0.03 0.31 0.69 0.41 -1.46 0.00 0.00 175.22 175.19 1j3t n GLY 47 N 0.35 0.96 2.80 13.12 0.00 -0.26 -0.59 105.19 121.58 1j3t n GLY 47 Ca -0.02 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 1j3t n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j3t s GLU 48 N -2.05 0.05 -0.05 1.61 2.12 0.88 -1.12 118.70 120.14 1j3t s GLU 48 Ca 0.15 0.12 -0.08 0.00 0.36 0.00 0.00 54.97 55.52 1j3t s GLU 48 Cb -0.03 -0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.12 1j3t s GLU 48 CO 0.06 -0.13 0.19 0.54 -0.54 0.00 0.00 175.26 175.38 1j3t s VAL 49 N 0.85 0.03 -1.19 3.70 0.11 -0.52 -0.99 120.40 122.40 1j3t s VAL 49 Ca -0.07 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1j3t s VAL 49 Cb -0.11 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.39 1j3t s VAL 49 CO -0.02 -0.13 0.07 1.41 -3.33 0.00 0.00 175.10 173.10 1j3t n HIS 50 N 2.39 -1.43 -1.10 1.54 8.25 -1.26 -0.90 115.22 122.71 1j3t n HIS 50 Ca -0.16 0.07 -0.03 0.00 -0.26 0.00 0.00 57.72 57.33 1j3t n HIS 50 Cb 0.57 -3.00 -0.01 0.00 1.12 0.00 0.00 29.99 28.67 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 0.54 3.48 -1.41 0.00 -1.26 -5.00 105.19 100.64 1j3t n GLY 51 Ca -0.15 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.27 1.97 0.27 -0.02 0.00 -0.08 -5.10 107.32 102.10 1j3t s GLY 52 Ca 0.00 -1.54 -0.16 0.00 0.00 0.00 0.00 44.72 43.02 1j3t s GLY 52 CO 0.00 0.83 0.71 0.50 0.00 0.00 0.00 173.10 175.14 1j3t s ARG 53 N 1.68 4.08 0.00 2.90 0.52 -1.26 -1.43 118.95 125.43 1j3t s ARG 53 Ca 0.05 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 55.97 1j3t s ARG 53 Cb -0.18 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.65 1j3t s ARG 53 CO 0.10 0.27 0.00 0.41 0.02 0.00 0.00 175.30 176.10 1j3t n GLY 54 N 0.11 -0.60 3.91 -3.53 0.00 -0.27 -4.74 105.19 100.06 1j3t n GLY 54 Ca 0.01 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.68 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 3.51 -0.03 1.61 0.52 -0.21 -1.11 118.94 121.23 1j3t s TRP 55 Ca 0.00 0.67 -0.24 0.00 0.02 0.00 0.00 56.10 56.55 1j3t s TRP 55 Cb 0.00 -2.16 0.05 0.00 -1.15 0.00 0.00 33.47 30.22 1j3t s TRP 55 CO 0.00 -0.01 0.53 -0.59 0.02 0.00 0.00 176.95 176.90 1j3t s PHE 56 N -2.38 -0.47 0.09 -1.98 -0.71 0.72 -0.30 117.98 112.95 1j3t s PHE 56 Ca 0.45 0.77 -0.31 0.00 -1.04 0.00 0.00 56.93 56.80 1j3t s PHE 56 Cb -0.10 0.29 -0.07 0.00 -1.21 0.00 0.00 43.02 41.93 1j3t s PHE 56 CO 0.36 -0.53 1.27 -1.25 -1.34 0.00 0.00 175.22 173.73 1j3t s PRO 57 N -1.32 4.39 0.43 1.99 0.05 -1.26 -0.70 135.00 138.57 1j3t s PRO 57 Ca -0.12 1.89 0.30 0.00 0.05 0.00 0.00 61.00 63.12 1j3t s PRO 57 Cb -0.02 -3.30 1.28 0.00 0.05 0.00 0.00 34.50 32.51 1j3t s PRO 57 CO 0.07 -0.31 1.88 1.57 0.05 0.00 0.00 177.00 180.26 1j3t h LYS 58 N 6.70 0.00 -0.11 4.56 2.10 -1.14 -2.35 116.57 126.33 1j3t h LYS 58 Ca -0.42 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.26 1j3t h LYS 58 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1j3t h LYS 58 CO 0.83 0.00 0.10 1.03 -2.00 0.00 0.00 179.45 179.41 1j3t h SER 59 N 0.00 0.00 -0.02 7.07 0.87 -1.92 -2.43 113.55 117.12 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 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1j3t h SER 59 CO 0.00 0.00 0.00 -1.22 -0.53 0.00 0.00 176.83 175.08 1j3t n TYR 60 N -4.12 0.02 -4.33 2.24 4.02 -0.88 -4.94 117.16 109.16 1j3t n TYR 60 Ca -0.00 -0.01 -0.18 0.00 -0.01 0.00 0.00 57.90 57.70 1j3t n TYR 60 Cb 0.21 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.44 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 -1.98 0.33 -0.01 -0.72 -7.23 -0.92 -0.69 120.40 109.19 1j3t s VAL 61 Ca 0.40 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1j3t s VAL 61 Cb 0.21 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1j3t s VAL 61 CO 0.33 0.00 -0.10 -1.59 -0.31 0.00 0.00 175.10 173.44 1j3t s LYS 62 N -3.84 0.79 0.72 4.82 -2.85 -0.15 -4.83 119.74 114.40 1j3t s LYS 62 Ca 0.36 -0.34 -0.15 0.00 -1.00 0.00 0.00 55.97 54.84 1j3t s LYS 62 Cb 0.05 -0.76 0.04 0.00 -2.06 0.00 0.00 37.83 35.10 1j3t s LYS 62 CO 0.17 0.20 1.20 0.42 0.10 0.00 0.00 175.35 177.44 1j3t s ILE 63 N -0.20 2.41 0.03 3.79 1.01 -1.26 -0.77 121.20 126.20 1j3t s ILE 63 Ca 0.03 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1j3t s ILE 63 Cb -0.04 -2.76 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1j3t s ILE 63 CO -0.00 -0.11 -0.15 -0.63 0.00 0.00 0.00 174.94 174.05 1j3t s ILE 64 N -2.02 1.16 -0.10 2.92 1.01 -1.02 -4.78 121.20 118.37 1j3t s ILE 64 Ca 0.73 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 1j3t s ILE 64 Cb -0.28 -1.03 -0.09 0.00 0.01 0.00 0.00 42.46 41.07 1j3t s ILE 64 CO 0.45 0.09 0.34 1.55 0.00 0.00 0.00 174.94 177.37 1j3t h PRO 65 N 5.12 -0.07 0.00 2.79 0.13 -1.97 -3.42 132.00 134.56 1j3t h PRO 65 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1j3t h PRO 65 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1j3t h PRO 65 CO 0.45 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 1j3t n GLY 66 N 1.47 1.51 2.19 1.56 0.00 -1.26 -5.03 105.19 105.64 1j3t n GLY 66 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.74 -3.56 1.61 7.64 -1.26 -5.04 113.62 113.75 1j3t n SER 67 Ca 0.00 -2.04 -0.28 0.00 1.01 0.00 0.00 58.87 57.57 1j3t n SER 67 Cb 0.00 -0.20 -0.16 0.00 -1.01 0.00 0.00 64.21 62.85 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 -1.66 0.15 -0.48 1.43 -6.30 -1.26 -5.10 118.70 105.47 1j3t s GLU 68 Ca 0.24 -0.35 -0.28 0.00 -2.50 0.00 0.00 54.97 52.08 1j3t s GLU 68 Cb 0.33 -1.39 0.01 0.00 0.00 0.00 0.00 34.13 33.09 1j3t s GLU 68 CO -0.09 -0.89 1.38 -1.12 0.02 0.00 0.00 175.26 174.56 1j3t s SER 69 N 2.12 6.28 1.44 -1.70 0.01 -1.26 -5.04 113.70 115.55 1j3t s SER 69 Ca 0.06 0.57 -0.24 0.00 1.31 0.00 0.00 55.95 57.66 1j3t s SER 69 Cb -0.16 -2.54 0.37 0.00 0.21 0.00 0.00 66.02 63.90 1j3t s SER 69 CO -0.27 -1.53 0.93 -0.83 0.41 0.00 0.00 173.24 171.95 1j3t s GLY 70 N 3.99 1.41 0.05 3.44 0.00 -1.26 -4.97 107.32 109.98 1j3t s GLY 70 Ca 0.56 -0.86 -0.33 0.00 0.00 0.00 0.00 44.72 44.09 1j3t s GLY 70 CO 0.30 0.17 1.46 -0.56 0.00 0.00 0.00 173.10 174.46 1j3t h PRO 71 N -3.48 -1.02 -1.70 2.90 0.13 -2.04 -3.42 132.00 123.37 1j3t h PRO 71 Ca -0.42 0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1j3t h PRO 71 Cb 1.34 0.23 -0.25 0.00 0.13 0.00 0.00 31.00 32.45 1j3t h PRO 71 CO 0.26 -0.67 -0.34 0.45 -0.23 0.00 0.00 178.00 177.47 1j3t s SER 72 N -4.30 -0.58 0.58 1.44 0.15 -1.26 -5.16 113.70 104.57 1j3t s SER 72 Ca -0.18 0.75 -0.18 0.00 0.70 0.00 0.00 55.95 57.05 1j3t s SER 72 Cb 0.02 1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 65.97 1j3t s SER 72 CO 0.56 -0.26 1.12 -0.44 1.20 0.00 0.00 173.24 175.42 1j3t s SER 73 N 2.71 5.51 0.00 5.45 0.01 -1.26 -5.28 113.70 120.84 1j3t s SER 73 Ca 0.11 2.11 0.00 0.00 1.31 0.00 0.00 55.95 59.48 1j3t s SER 73 Cb -0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1j3t s SER 73 CO -0.17 -1.36 0.00 0.61 0.41 0.00 0.00 173.24 172.72