#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2js3 n GLY 2 N 0.00 0.48 3.32 3.03 0.00 -1.26 -5.00 105.19 105.76 2js3 n GLY 2 Ca 0.00 -0.59 -0.46 0.00 0.00 0.00 0.00 46.02 44.97 2js3 n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2js3 s SER 3 N -2.96 6.19 0.00 1.61 0.15 -1.26 -4.88 113.70 112.54 2js3 s SER 3 Ca 0.07 -1.74 0.00 0.00 0.70 0.00 0.00 55.95 54.98 2js3 s SER 3 Cb -0.03 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2js3 s SER 3 CO 0.08 -0.85 0.00 -0.24 1.20 0.00 0.00 173.24 173.43 2js3 n SER 4 N 5.28 0.00 0.00 5.45 2.88 -1.26 -3.00 113.62 122.97 2js3 n SER 4 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2js3 n SER 4 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2js3 n SER 4 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2js3 n HIS 5 N -0.31 0.00 -2.62 0.66 -0.00 -1.26 -3.92 115.22 107.76 2js3 n HIS 5 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 2js3 n HIS 5 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 2js3 n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2js3 s HIS 6 N 0.00 3.45 0.54 1.57 5.65 -1.26 -5.03 115.29 120.20 2js3 s HIS 6 Ca 0.00 1.50 -0.09 0.00 0.25 0.00 0.00 55.06 56.72 2js3 s HIS 6 Cb 0.00 -3.25 -0.04 0.00 -1.18 0.00 0.00 32.58 28.11 2js3 s HIS 6 CO 0.00 -0.51 0.91 -3.38 -0.65 0.00 0.00 174.74 171.11 2js3 s HIS 7 N 1.92 3.58 0.00 3.88 0.00 -1.26 -5.00 115.29 118.41 2js3 s HIS 7 Ca 0.51 1.11 0.00 0.00 -3.00 0.00 0.00 55.06 53.68 2js3 s HIS 7 Cb -0.21 -2.55 0.00 0.00 -4.00 0.00 0.00 32.58 25.83 2js3 s HIS 7 CO 0.20 -0.46 0.00 0.72 -1.00 0.00 0.00 174.74 174.20 2js3 n HIS 8 N -2.34 -0.28 -1.79 0.38 -0.00 -1.26 -5.14 115.22 104.78 2js3 n HIS 8 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.74 2js3 n HIS 8 Cb 0.54 0.38 -0.01 0.00 -0.00 0.00 0.00 29.99 30.91 2js3 n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2js3 n HIS 9 N -2.15 -1.27 -4.38 4.41 -0.00 -1.26 -5.11 115.22 105.45 2js3 n HIS 9 Ca 0.00 0.74 -0.20 0.00 -0.00 0.00 0.00 57.72 58.26 2js3 n HIS 9 Cb 0.00 -2.19 -0.10 0.00 -0.00 0.00 0.00 29.99 27.70 2js3 n HIS 9 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2js3 s HIS 10 N -0.19 1.83 -0.59 4.41 3.76 -1.26 -5.02 115.29 118.23 2js3 s HIS 10 Ca -0.08 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.24 2js3 s HIS 10 Cb 0.01 -0.91 0.04 0.00 1.11 0.00 0.00 32.58 32.82 2js3 s HIS 10 CO 0.22 0.36 0.76 0.43 -0.85 0.00 0.00 174.74 175.66 2js3 n SER 11 N -0.47 1.97 -4.70 1.40 7.64 -1.26 -4.86 113.62 113.34 2js3 n SER 11 Ca -0.07 -2.07 -0.42 0.00 1.01 0.00 0.00 58.87 57.32 2js3 n SER 11 Cb 0.61 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2js3 n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2js3 s SER 12 N 0.31 6.59 -0.20 6.43 0.01 -1.26 -4.82 113.70 120.76 2js3 s SER 12 Ca 0.03 2.54 0.02 0.00 1.31 0.00 0.00 55.95 59.85 2js3 s SER 12 Cb 0.03 -2.57 0.06 0.00 0.21 0.00 0.00 66.02 63.74 2js3 s SER 12 CO 0.01 -0.88 0.87 0.61 0.41 0.00 0.00 173.24 174.26 2js3 n GLY 13 N 3.94 -0.67 3.48 3.44 0.00 -1.26 -4.88 105.19 109.24 2js3 n GLY 13 Ca 0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2js3 n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2js3 s ARG 14 N 0.02 1.33 -1.12 1.61 3.52 -1.26 -5.05 118.95 118.00 2js3 s ARG 14 Ca 0.02 -0.64 -0.21 0.00 -0.13 0.00 0.00 55.73 54.77 2js3 s ARG 14 Cb 0.06 0.56 -0.07 0.00 -1.56 0.00 0.00 34.95 33.94 2js3 s ARG 14 CO -0.02 -0.58 1.91 -0.85 -0.81 0.00 0.00 175.30 174.96 2js3 n GLU 15 N -0.36 1.89 0.01 5.12 0.28 -1.26 -4.74 120.64 121.58 2js3 n GLU 15 Ca -0.14 -2.46 -0.01 0.00 -0.16 0.00 0.00 57.16 54.39 2js3 n GLU 15 Cb 0.64 -3.48 -0.00 0.00 1.43 0.00 0.00 31.44 30.02 2js3 n GLU 15 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2js3 h ASN 16 N 8.76 -0.04 -3.60 -1.84 2.35 -2.00 -3.47 115.58 115.76 2js3 h ASN 16 Ca 0.32 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.73 2js3 h ASN 16 Cb 0.85 0.01 -0.32 0.00 0.05 0.00 0.00 38.32 38.91 2js3 h ASN 16 CO 1.47 0.00 -0.75 -0.76 -1.65 0.00 0.00 177.43 175.74 2js3 s LEU 17 N -4.47 1.44 0.00 1.61 1.43 -1.26 -5.10 118.68 112.33 2js3 s LEU 17 Ca -0.01 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2js3 s LEU 17 Cb 0.00 -0.25 0.07 0.00 0.03 0.00 0.00 46.19 46.04 2js3 s LEU 17 CO 0.02 -0.05 0.52 0.00 0.23 0.00 0.00 176.35 177.07 2js3 n TYR 18 N 3.78 -2.76 -0.87 0.29 9.36 -1.26 -4.71 117.16 120.99 2js3 n TYR 18 Ca -0.23 -1.19 -0.33 0.00 3.32 0.00 0.00 57.90 59.47 2js3 n TYR 18 Cb 0.53 -0.36 0.13 0.00 -0.63 0.00 0.00 39.34 39.00 2js3 n TYR 18 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2js3 n PHE 19 N -1.93 -0.23 0.00 2.98 3.01 -1.26 -1.68 117.46 118.35 2js3 n PHE 19 Ca 0.10 0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.88 2js3 n PHE 19 Cb 0.36 -1.92 0.00 0.00 -0.01 0.00 0.00 39.48 37.91 2js3 n PHE 19 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2js3 n GLN 20 N -2.59 0.00 -2.74 -1.08 0.00 -1.26 -4.51 117.38 105.20 2js3 n GLN 20 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 57.05 2js3 n GLN 20 Cb 0.52 -0.01 0.04 0.00 0.00 0.00 0.00 30.24 30.79 2js3 n GLN 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2js3 n GLY 21 N 0.00 1.73 0.11 1.69 0.00 -1.15 -4.86 105.19 102.70 2js3 n GLY 21 Ca 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 46.02 44.84 2js3 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2js3 h MET 22 N 2.80 0.00 0.00 1.61 -0.00 -1.55 -3.40 114.93 114.39 2js3 h MET 22 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.59 2js3 h MET 22 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.82 2js3 h MET 22 CO 0.36 0.27 0.00 0.25 -0.00 0.00 0.00 176.91 177.78 2js3 n THR 23 N -2.93 0.00 0.02 -0.10 -2.24 -1.26 -3.76 114.28 104.01 2js3 n THR 23 Ca -0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 2js3 n THR 23 Cb 0.75 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2js3 n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2js3 n ASP 24 N 3.83 0.67 -0.14 3.42 9.92 -1.26 -4.82 116.55 128.17 2js3 n ASP 24 Ca 0.00 0.09 0.18 0.00 -0.53 0.00 0.00 54.79 54.53 2js3 n ASP 24 Cb 0.00 -0.24 0.57 0.00 -0.64 0.00 0.00 41.12 40.81 2js3 n ASP 24 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2js3 h THR 25 N -0.07 0.74 0.00 -3.53 2.02 -2.00 -0.39 112.91 109.68 2js3 h THR 25 Ca 0.00 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2js3 h THR 25 Cb 0.07 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2js3 h THR 25 CO 0.00 0.05 -0.00 0.00 0.37 0.00 0.00 175.52 175.94 2js3 h ALA 26 N 1.65 1.51 0.00 6.16 0.00 -1.87 -0.12 119.26 126.60 2js3 h ALA 26 Ca 0.36 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2js3 h ALA 26 Cb 1.03 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2js3 h ALA 26 CO -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.02 2js3 h ALA 27 N 2.00 1.51 0.17 0.00 0.00 -1.37 -0.81 119.26 120.76 2js3 h ALA 27 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.44 2js3 h ALA 27 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2js3 h ALA 27 CO 0.00 0.18 -1.66 1.49 0.00 0.00 0.00 179.25 179.26 2js3 h GLU 28 N 0.00 0.37 -0.35 0.00 4.57 -1.19 -2.07 114.58 115.91 2js3 h GLU 28 Ca -0.00 -0.63 -0.01 0.00 -1.18 0.00 0.00 59.36 57.54 2js3 h GLU 28 Cb 0.30 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 2js3 h GLU 28 CO 0.02 1.27 0.16 -0.44 -1.18 0.00 0.00 179.01 178.84 2js3 h ASP 29 N 0.10 0.46 0.48 1.04 3.32 -1.37 -1.47 116.42 118.99 2js3 h ASP 29 Ca -0.30 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.50 2js3 h ASP 29 Cb 2.08 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.50 2js3 h ASP 29 CO 0.18 0.46 -0.51 1.62 -1.72 0.00 0.00 179.24 179.28 2js3 h VAL 30 N 0.42 1.37 -0.59 -1.35 3.04 -1.26 -2.64 116.25 115.24 2js3 h VAL 30 Ca 0.12 -1.76 -0.05 0.00 -1.01 0.00 0.00 66.70 64.00 2js3 h VAL 30 Cb 0.13 1.93 -0.03 0.00 -2.01 0.00 0.00 31.29 31.32 2js3 h VAL 30 CO -0.01 0.51 0.16 -0.09 -1.01 0.00 0.00 177.57 177.12 2js3 h ARG 31 N 0.03 0.90 -0.03 4.17 2.43 -1.01 -2.50 114.38 118.36 2js3 h ARG 31 Ca -0.00 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2js3 h ARG 31 Cb 0.91 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 2js3 h ARG 31 CO 0.07 0.79 0.01 0.87 -1.51 0.00 0.00 179.97 180.20 2js3 h LYS 32 N 0.87 0.05 -0.23 0.20 1.57 -0.90 0.11 116.57 118.24 2js3 h LYS 32 Ca 0.19 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 2js3 h LYS 32 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2js3 h LYS 32 CO -0.00 0.20 -0.14 -0.84 -0.57 0.00 0.00 179.45 178.10 2js3 h ILE 33 N -0.12 1.22 -0.04 1.86 3.07 -1.47 0.60 117.51 122.63 2js3 h ILE 33 Ca 0.01 -0.96 -0.23 0.00 1.55 0.00 0.00 64.86 65.24 2js3 h ILE 33 Cb 0.17 1.20 0.01 0.00 -0.27 0.00 0.00 36.82 37.93 2js3 h ILE 33 CO -0.00 0.30 -0.90 0.00 -1.05 0.00 0.00 178.15 176.50 2js3 h ALA 34 N 1.51 0.35 0.00 0.16 0.00 -1.28 -3.24 119.26 116.76 2js3 h ALA 34 Ca 0.07 -0.67 -0.18 0.00 0.00 0.00 0.00 54.91 54.13 2js3 h ALA 34 Cb 0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2js3 h ALA 34 CO 0.03 0.76 -0.84 1.15 0.00 0.00 0.00 179.25 180.35 2js3 h THR 35 N 0.32 1.59 -0.72 0.00 2.02 -0.49 -3.32 112.91 112.31 2js3 h THR 35 Ca -0.08 -2.83 0.12 0.00 0.77 0.00 0.00 66.41 64.39 2js3 h THR 35 Cb 1.53 2.54 -0.08 0.00 -1.74 0.00 0.00 68.15 70.39 2js3 h THR 35 CO 0.16 0.81 0.31 0.00 0.37 0.00 0.00 175.52 177.17 2js3 h ALA 36 N 1.14 1.00 -0.16 6.16 0.00 -0.90 0.35 119.26 126.85 2js3 h ALA 36 Ca -0.01 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2js3 h ALA 36 Cb 1.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 2js3 h ALA 36 CO 0.11 -0.16 -0.40 1.37 0.00 0.00 0.00 179.25 180.17 2js3 h LEU 37 N 0.48 0.39 -0.13 0.00 8.10 -1.68 -1.36 115.31 121.12 2js3 h LEU 37 Ca 0.38 -0.17 -0.13 0.00 0.11 0.00 0.00 57.88 58.08 2js3 h LEU 37 Cb 0.52 -0.11 -0.02 0.00 -0.44 0.00 0.00 40.66 40.61 2js3 h LEU 37 CO -0.35 0.76 -0.61 0.25 -4.11 0.00 0.00 178.44 174.37 2js3 h LEU 38 N 0.31 0.00 -0.24 0.17 5.85 -1.36 -1.97 115.31 118.07 2js3 h LEU 38 Ca 0.03 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.54 2js3 h LEU 38 Cb 0.85 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 2js3 h LEU 38 CO 0.07 0.61 -0.85 0.50 -0.34 0.00 0.00 178.44 178.44 2js3 h LYS 39 N 0.00 0.50 0.00 1.25 1.63 0.02 -3.45 116.57 116.52 2js3 h LYS 39 Ca -0.01 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2js3 h LYS 39 Cb 1.42 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 2js3 h LYS 39 CO 0.08 1.10 -0.12 0.25 -3.45 0.00 0.00 179.45 177.30 2js3 n THR 40 N -3.82 0.26 -1.44 1.00 -2.24 -0.54 -4.92 114.28 102.58 2js3 n THR 40 Ca -0.06 0.09 -0.39 0.00 -2.27 0.00 0.00 64.05 61.41 2js3 n THR 40 Cb 0.78 -0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 68.14 2js3 n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2js3 n ALA 41 N -3.19 5.90 -2.90 6.98 0.00 -0.74 -4.81 120.51 121.75 2js3 n ALA 41 Ca 0.00 -3.53 -0.11 0.00 0.00 0.00 0.00 53.44 49.80 2js3 n ALA 41 Cb 0.06 -3.45 -0.08 0.00 0.00 0.00 0.00 19.45 15.98 2js3 n ALA 41 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2js3 s ILE 42 N 3.08 0.10 -0.06 0.00 1.10 -1.22 -4.64 121.20 119.56 2js3 s ILE 42 Ca 0.55 -0.85 -0.02 0.00 -0.51 0.00 0.00 60.65 59.83 2js3 s ILE 42 Cb 0.15 -0.87 -0.04 0.00 0.15 0.00 0.00 42.46 41.86 2js3 s ILE 42 CO -0.05 -0.47 0.04 -1.83 -2.11 0.00 0.00 174.94 170.52 2js3 s GLU 43 N -2.43 3.04 -0.03 3.50 -1.05 -1.25 -5.07 118.70 115.41 2js3 s GLU 43 Ca -0.06 -0.41 0.02 0.00 -0.15 0.00 0.00 54.97 54.37 2js3 s GLU 43 Cb -0.02 -2.85 0.01 0.00 -0.44 0.00 0.00 34.13 30.83 2js3 s GLU 43 CO -0.03 0.69 -0.07 0.96 0.95 0.00 0.00 175.26 177.76 2js3 s ILE 44 N -1.00 0.69 0.14 1.83 -5.25 -1.26 -2.02 121.20 114.32 2js3 s ILE 44 Ca 0.17 -0.28 0.05 0.00 -0.99 0.00 0.00 60.65 59.59 2js3 s ILE 44 Cb -0.12 -0.64 -0.04 0.00 2.95 0.00 0.00 42.46 44.61 2js3 s ILE 44 CO 0.06 0.23 0.10 0.68 -1.79 0.00 0.00 174.94 174.22 2js3 s VAL 45 N 0.39 4.39 -0.12 8.37 -7.23 0.25 -4.93 120.40 121.53 2js3 s VAL 45 Ca -0.06 -1.02 -0.06 0.00 -1.81 0.00 0.00 61.98 59.03 2js3 s VAL 45 Cb -0.10 -3.19 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 2js3 s VAL 45 CO 0.01 -0.02 0.12 -0.55 -0.31 0.00 0.00 175.10 174.34 2js3 s SER 46 N -2.82 6.25 -0.09 4.85 0.15 -1.26 0.35 113.70 121.12 2js3 s SER 46 Ca 0.30 0.42 -0.30 0.00 0.70 0.00 0.00 55.95 57.07 2js3 s SER 46 Cb -0.11 -2.00 -0.02 0.00 -1.71 0.00 0.00 66.02 62.18 2js3 s SER 46 CO 0.22 0.40 1.13 -1.61 1.20 0.00 0.00 173.24 174.58 2js3 s GLU 47 N -0.97 4.36 0.38 5.44 0.41 0.13 -4.91 118.70 123.54 2js3 s GLU 47 Ca 0.15 1.57 0.08 0.00 -0.41 0.00 0.00 54.97 56.35 2js3 s GLU 47 Cb -0.12 -3.57 0.81 0.00 -1.78 0.00 0.00 34.13 29.48 2js3 s GLU 47 CO 0.04 -0.43 1.97 1.05 -0.49 0.00 0.00 175.26 177.40 2js3 h GLU 48 N 7.38 0.65 -0.25 1.61 4.11 -1.97 0.63 114.58 126.72 2js3 h GLU 48 Ca -0.32 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.00 2js3 h GLU 48 Cb 1.15 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2js3 h GLU 48 CO 0.88 0.43 -0.16 -0.44 0.07 0.00 0.00 179.01 179.79 2js3 h ASP 49 N 0.67 0.43 0.00 3.06 3.32 -2.06 -3.46 116.42 118.38 2js3 h ASP 49 Ca 0.30 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2js3 h ASP 49 Cb 0.30 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2js3 h ASP 49 CO -0.09 0.61 0.00 0.61 -1.72 0.00 0.00 179.24 178.64 2js3 n GLY 50 N -0.61 0.37 3.78 2.75 0.00 0.20 -5.19 105.19 106.49 2js3 n GLY 50 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 46.02 45.92 2js3 n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2js3 s GLY 51 N 0.00 -0.27 -0.06 -0.02 0.00 -1.12 -4.93 107.32 100.93 2js3 s GLY 51 Ca 0.00 0.36 0.06 0.00 0.00 0.00 0.00 44.72 45.14 2js3 s GLY 51 CO 0.00 2.32 -0.23 0.00 0.00 0.00 0.00 173.10 175.19 2js3 s ALA 52 N -2.27 2.27 -0.17 3.20 0.00 -1.26 0.18 121.76 123.70 2js3 s ALA 52 Ca 0.20 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.13 2js3 s ALA 52 Cb 0.02 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.43 2js3 s ALA 52 CO -0.02 0.44 -0.16 -1.58 0.00 0.00 0.00 175.76 174.44 2js3 s HIS 53 N -0.28 2.47 0.04 0.00 2.46 0.15 -4.44 115.29 115.70 2js3 s HIS 53 Ca 0.00 -1.46 -0.20 0.00 0.47 0.00 0.00 55.06 53.87 2js3 s HIS 53 Cb -0.13 -1.74 -0.06 0.00 -0.13 0.00 0.00 32.58 30.52 2js3 s HIS 53 CO 0.03 -0.74 0.60 1.21 -2.47 0.00 0.00 174.74 173.37 2js3 s ASN 54 N 1.39 7.05 -0.23 9.88 3.84 -0.22 -0.58 114.94 136.06 2js3 s ASN 54 Ca 0.04 1.24 0.01 0.00 0.21 0.00 0.00 52.86 54.36 2js3 s ASN 54 Cb -0.13 -2.37 0.06 0.00 -0.55 0.00 0.00 41.25 38.25 2js3 s ASN 54 CO -0.11 0.18 -0.06 -1.10 -2.79 0.00 0.00 177.10 173.22 2js3 s GLN 55 N -0.65 1.67 -0.28 0.43 -0.21 -0.86 0.49 119.66 120.25 2js3 s GLN 55 Ca 0.31 -0.98 -0.29 0.00 0.02 0.00 0.00 55.36 54.42 2js3 s GLN 55 Cb -0.19 -2.57 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 2js3 s GLN 55 CO 0.19 -0.58 1.76 0.00 -2.12 0.00 0.00 175.29 174.54 2js3 n LYS 57 N 8.19 0.96 -0.17 0.00 4.81 -1.26 -2.26 118.16 128.43 2js3 n LYS 57 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2js3 n LYS 57 Cb 0.46 -1.02 0.00 0.00 0.02 0.00 0.00 35.03 34.49 2js3 n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2js3 n LEU 58 N 1.34 0.00 0.00 3.14 7.94 -1.26 -4.96 117.00 123.20 2js3 n LEU 58 Ca 0.00 -0.62 0.00 0.00 -1.11 0.00 0.00 56.01 54.28 2js3 n LEU 58 Cb 0.48 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.43 2js3 n LEU 58 CO 0.00 0.59 0.00 0.00 -1.11 0.00 0.00 177.39 176.87 2js3 n GLY 60 N -0.13 0.73 3.74 0.00 0.00 -1.06 -5.05 105.19 103.43 2js3 n GLY 60 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2js3 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2js3 s ALA 61 N -2.58 3.34 -0.25 4.61 0.00 -1.26 -4.92 121.76 120.70 2js3 s ALA 61 Ca 0.00 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 2js3 s ALA 61 Cb 0.00 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.78 2js3 s ALA 61 CO 0.00 -0.03 0.16 -1.54 0.00 0.00 0.00 175.76 174.36 2js3 s SER 62 N -0.56 6.08 -0.02 0.00 1.04 -1.26 -2.34 113.70 116.64 2js3 s SER 62 Ca 0.45 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2js3 s SER 62 Cb -0.27 -2.10 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 2js3 s SER 62 CO 0.34 0.04 0.03 -0.69 0.98 0.00 0.00 173.24 173.94 2js3 s VAL 63 N 1.21 4.37 -1.63 5.02 1.01 0.18 -4.96 120.40 125.59 2js3 s VAL 63 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2js3 s VAL 63 Cb -0.14 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.30 2js3 s VAL 63 CO 0.06 0.42 0.10 -2.65 0.00 0.00 0.00 175.10 173.03 2js3 n PRO 64 N 1.49 0.00 0.00 2.72 -0.02 -1.26 -1.06 135.00 136.87 2js3 n PRO 64 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.33 2js3 n PRO 64 Cb 0.53 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 2js3 n PRO 64 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2js3 n TRP 65 N -0.53 0.00 -2.36 6.00 4.27 -1.26 -4.81 117.44 118.74 2js3 n TRP 65 Ca 0.00 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 2js3 n TRP 65 Cb 0.00 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 29.93 2js3 n TRP 65 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2js3 n LEU 66 N 0.00 4.50 0.00 5.67 7.94 -1.26 -4.80 117.00 129.05 2js3 n LEU 66 Ca 0.00 -3.70 0.00 0.00 -1.11 0.00 0.00 56.01 51.20 2js3 n LEU 66 Cb 0.00 -1.73 0.00 0.00 0.53 0.00 0.00 43.42 42.22 2js3 n LEU 66 CO 0.00 -0.36 0.00 0.00 -1.11 0.00 0.00 177.39 175.92 2js3 n GLN 67 N 8.22 0.00 -0.02 1.96 1.13 -1.26 -0.21 117.38 127.20 2js3 n GLN 67 Ca 0.48 0.00 0.08 0.00 -1.94 0.00 0.00 57.00 55.62 2js3 n GLN 67 Cb 0.46 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.66 2js3 n GLN 67 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2js3 n THR 68 N 0.00 0.11 0.00 5.09 -1.04 -1.25 -4.98 114.28 112.21 2js3 n THR 68 Ca 0.00 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2js3 n THR 68 Cb 0.00 0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 2js3 n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2js3 n GLY 69 N 1.50 2.15 0.00 3.41 0.00 0.70 -4.44 105.19 108.52 2js3 n GLY 69 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2js3 n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2js3 n ASP 70 N 4.00 0.00 -3.80 1.61 -0.08 -1.16 -4.75 116.55 112.36 2js3 n ASP 70 Ca 0.00 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 53.00 2js3 n ASP 70 Cb 0.00 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.34 2js3 n ASP 70 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2js3 s GLU 71 N 0.00 2.17 0.44 -0.67 2.02 -1.26 -4.59 118.70 116.81 2js3 s GLU 71 Ca 0.00 -3.11 -0.10 0.00 0.02 0.00 0.00 54.97 51.78 2js3 s GLU 71 Cb 0.00 -3.04 -0.06 0.00 0.10 0.00 0.00 34.13 31.13 2js3 s GLU 71 CO 0.00 -1.31 0.81 -1.50 0.02 0.00 0.00 175.26 173.28 2js3 s ILE 72 N -1.17 4.78 0.05 -1.63 1.10 -1.26 -5.02 121.20 118.05 2js3 s ILE 72 Ca 0.26 0.62 -0.31 0.00 -0.51 0.00 0.00 60.65 60.71 2js3 s ILE 72 Cb -0.03 -3.76 -0.06 0.00 0.15 0.00 0.00 42.46 38.76 2js3 s ILE 72 CO -0.17 -0.64 1.29 -0.54 -2.11 0.00 0.00 174.94 172.77 2js3 s LYS 73 N -4.12 4.36 -0.29 3.50 -0.14 -1.26 -4.95 119.74 116.84 2js3 s LYS 73 Ca 0.51 1.89 -0.21 0.00 -1.36 0.00 0.00 55.97 56.80 2js3 s LYS 73 Cb -0.10 -3.38 -0.01 0.00 -1.68 0.00 0.00 37.83 32.66 2js3 s LYS 73 CO 0.35 -0.39 0.66 -3.38 -0.76 0.00 0.00 175.35 171.83 2js3 s HIS 74 N 1.43 3.23 -0.69 3.18 -3.43 -1.26 -4.95 115.29 112.80 2js3 s HIS 74 Ca 0.61 0.70 -0.22 0.00 -0.80 0.00 0.00 55.06 55.35 2js3 s HIS 74 Cb -0.32 -2.98 0.08 0.00 -1.43 0.00 0.00 32.58 27.93 2js3 s HIS 74 CO 0.28 -0.44 0.98 0.00 -2.00 0.00 0.00 174.74 173.56 2js3 s ALA 75 N 2.63 3.15 0.47 -1.38 0.00 -1.26 -4.92 121.76 120.44 2js3 s ALA 75 Ca 0.27 -1.96 0.16 0.00 0.00 0.00 0.00 51.96 50.42 2js3 s ALA 75 Cb -0.15 -3.88 1.10 0.00 0.00 0.00 0.00 23.12 20.19 2js3 s ALA 75 CO 0.11 -2.80 2.04 -0.44 0.00 0.00 0.00 175.76 174.67 2js3 h ASP 76 N 9.48 0.00 1.64 0.00 3.32 -1.99 -1.58 116.42 127.30 2js3 h ASP 76 Ca -0.23 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 2js3 h ASP 76 Cb 1.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2js3 h ASP 76 CO 1.18 0.13 -0.36 -0.78 -1.72 0.00 0.00 179.24 177.69 2js3 h ASP 77 N 0.00 0.00 -3.18 6.45 3.58 -2.00 -3.45 116.42 117.81 2js3 h ASP 77 Ca -0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 2js3 h ASP 77 Cb 0.24 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.23 2js3 h ASP 77 CO 0.02 0.34 0.79 0.00 -2.88 0.00 0.00 179.24 177.51 2js3 h PRO 79 N 7.72 0.00 -0.25 0.00 0.11 -1.86 -1.34 132.00 136.38 2js3 h PRO 79 Ca -0.20 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.81 2js3 h PRO 79 Cb 1.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2js3 h PRO 79 CO 0.99 0.01 -0.28 0.28 -0.21 0.00 0.00 178.00 178.78 2js3 h VAL 80 N 0.00 1.27 -0.11 3.15 2.07 -1.91 0.40 116.25 121.13 2js3 h VAL 80 Ca -0.00 -1.34 -0.19 0.00 0.82 0.00 0.00 66.70 65.99 2js3 h VAL 80 Cb 0.02 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2js3 h VAL 80 CO 0.00 0.42 -0.73 0.58 0.02 0.00 0.00 177.57 177.86 2js3 h VAL 81 N 0.43 1.34 -0.16 2.57 2.07 -1.51 -2.67 116.25 118.34 2js3 h VAL 81 Ca 0.06 -2.07 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 2js3 h VAL 81 Cb 0.72 2.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2js3 h VAL 81 CO 0.06 0.63 0.02 0.40 0.02 0.00 0.00 177.57 178.70 2js3 h ILE 82 N 0.37 1.23 -0.79 4.57 1.08 -1.30 -3.01 117.51 119.66 2js3 h ILE 82 Ca -0.04 -0.75 0.11 0.00 -0.39 0.00 0.00 64.86 63.79 2js3 h ILE 82 Cb 1.32 1.43 -0.08 0.00 -3.07 0.00 0.00 36.82 36.43 2js3 h ILE 82 CO 0.13 0.22 0.42 0.00 -0.69 0.00 0.00 178.15 178.24 2js3 h ALA 83 N 0.80 1.14 -0.45 1.87 0.00 -0.16 0.72 119.26 123.18 2js3 h ALA 83 Ca 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2js3 h ALA 83 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2js3 h ALA 83 CO 0.00 -0.00 0.21 0.87 0.00 0.00 0.00 179.25 180.33 2js3 h LYS 84 N 0.68 0.65 -0.97 0.00 1.57 -1.46 0.35 116.57 117.38 2js3 h LYS 84 Ca 0.40 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 59.11 2js3 h LYS 84 Cb 0.45 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 2js3 h LYS 84 CO -0.29 0.56 0.64 1.96 -0.57 0.00 0.00 179.45 181.75 2js3 h GLN 85 N 0.58 1.23 0.06 3.15 4.20 -1.12 -0.87 115.11 122.34 2js3 h GLN 85 Ca 0.15 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2js3 h GLN 85 Cb 0.13 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.63 2js3 h GLN 85 CO -0.02 0.81 -0.03 0.82 -0.67 0.00 0.00 178.83 179.75 2js3 h ILE 86 N 1.27 1.17 0.00 2.54 2.04 -0.20 0.26 117.51 124.59 2js3 h ILE 86 Ca 0.37 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.45 2js3 h ILE 86 Cb -0.07 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2js3 h ILE 86 CO -0.10 0.20 0.00 0.17 0.00 0.00 0.00 178.15 178.41 2js3 h LEU 87 N -0.43 0.00 0.10 1.44 8.10 -0.17 -1.86 115.31 122.49 2js3 h LEU 87 Ca -0.01 0.00 -0.33 0.00 0.11 0.00 0.00 57.88 57.65 2js3 h LEU 87 Cb 0.38 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2js3 h LEU 87 CO 0.01 0.00 -1.77 -1.28 -4.11 0.00 0.00 178.44 171.29 2js3 h SER 88 N 0.00 0.33 -1.14 0.17 0.87 -1.09 -3.45 113.55 109.24 2js3 h SER 88 Ca 0.00 -0.62 -0.30 0.00 -1.23 0.00 0.00 61.79 59.64 2js3 h SER 88 Cb 0.42 -0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.18 2js3 h SER 88 CO 0.00 1.54 -0.31 -1.20 -0.53 0.00 0.00 176.83 176.34 2js3 n SER 89 N -3.39 -4.69 -3.79 6.23 7.64 0.07 -4.86 113.62 110.83 2js3 n SER 89 Ca -0.23 0.25 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 2js3 n SER 89 Cb 1.05 -3.60 -0.14 0.00 -1.01 0.00 0.00 64.21 60.51 2js3 n SER 89 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2js3 s ARG 90 N -3.71 1.18 0.42 1.43 1.81 -1.25 -5.08 118.95 113.74 2js3 s ARG 90 Ca 0.00 -1.71 0.03 0.00 -1.72 0.00 0.00 55.73 52.32 2js3 s ARG 90 Cb 0.00 -2.44 -0.00 0.00 -0.45 0.00 0.00 34.95 32.05 2js3 s ARG 90 CO 0.00 -1.06 0.61 -1.25 -0.68 0.00 0.00 175.30 172.92 2js3 s PRO 91 N 0.83 3.03 0.02 3.54 0.04 -1.26 -5.06 135.00 136.14 2js3 s PRO 91 Ca 0.14 -0.70 -0.14 0.00 0.04 0.00 0.00 61.00 60.34 2js3 s PRO 91 Cb -0.21 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.71 2js3 s PRO 91 CO -0.10 -0.21 0.30 0.21 0.04 0.00 0.00 177.00 177.24 2js3 s LYS 92 N -4.45 0.75 -0.44 4.56 2.20 -1.26 -5.11 119.74 116.00 2js3 s LYS 92 Ca 0.48 -0.41 -0.28 0.00 -0.36 0.00 0.00 55.97 55.40 2js3 s LYS 92 Cb -0.10 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 2js3 s LYS 92 CO 0.36 -0.23 1.65 -1.17 -0.36 0.00 0.00 175.35 175.59 2js3 s LEU 93 N -1.82 3.47 0.00 5.43 2.96 -1.26 -4.79 118.68 122.68 2js3 s LEU 93 Ca -0.08 0.84 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 2js3 s LEU 93 Cb -0.02 -3.27 0.00 0.00 0.50 0.00 0.00 46.19 43.40 2js3 s LEU 93 CO -0.01 -1.76 0.00 1.57 -1.32 0.00 0.00 176.35 174.83 2js3 n HIS 94 N 10.24 0.00 -1.50 5.38 -0.00 -1.26 -5.16 115.22 122.92 2js3 n HIS 94 Ca 0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.37 2js3 n HIS 94 Cb 0.48 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2js3 n HIS 94 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2js3 n ALA 95 N -2.77 -2.25 1.39 1.57 0.00 -1.26 -5.37 120.51 111.82 2js3 n ALA 95 Ca 0.00 0.38 0.14 0.00 0.00 0.00 0.00 53.44 53.95 2js3 n ALA 95 Cb 0.00 -1.25 0.43 0.00 0.00 0.00 0.00 19.45 18.63 2js3 n ALA 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83