#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 0.79 3.66 3.17 0.00 -1.26 -5.06 105.19 106.49 2js3 n GLY 2 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.59 7.00 -0.12 1.61 0.15 -1.26 -5.03 113.70 114.46 2js3 s SER 3 Ca 0.00 1.24 -0.04 0.00 0.70 0.00 0.00 55.95 57.85 2js3 s SER 3 Cb 0.00 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2js3 s SER 3 CO 0.00 -0.52 0.03 -0.44 1.20 0.00 0.00 173.24 173.52 2js3 s SER 4 N 1.21 5.45 0.00 5.45 0.01 -1.26 -5.02 113.70 119.55 2js3 s SER 4 Ca 0.40 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.82 2js3 s SER 4 Cb -0.16 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2js3 s SER 4 CO 0.10 0.33 0.00 1.41 0.41 0.00 0.00 173.24 175.48 2js3 n HIS 5 N 2.50 0.00 -1.13 2.43 -0.00 -1.26 -5.14 115.22 112.62 2js3 n HIS 5 Ca -0.18 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.69 2js3 n HIS 5 Cb 0.53 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.48 2js3 n HIS 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2js3 n HIS 6 N -2.07 -2.87 -3.70 4.41 -0.00 -1.26 -4.92 115.22 104.80 2js3 n HIS 6 Ca 0.00 1.46 -0.23 0.00 -0.00 0.00 0.00 57.72 58.95 2js3 n HIS 6 Cb 0.00 -2.60 0.04 0.00 -0.00 0.00 0.00 29.99 27.43 2js3 n HIS 6 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2js3 n HIS 7 N -3.68 -2.07 -0.11 4.41 8.25 -1.26 -4.83 115.22 115.92 2js3 n HIS 7 Ca -0.01 0.87 -0.04 0.00 -0.26 0.00 0.00 57.72 58.29 2js3 n HIS 7 Cb 0.52 -4.44 0.02 0.00 1.12 0.00 0.00 29.99 27.21 2js3 n HIS 7 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2js3 n HIS 8 N -4.38 0.41 -0.76 4.41 -0.00 -1.26 -4.95 115.22 108.69 2js3 n HIS 8 Ca -0.22 -1.04 0.10 0.00 -0.00 0.00 0.00 57.72 56.56 2js3 n HIS 8 Cb 0.64 -0.52 -0.03 0.00 -0.00 0.00 0.00 29.99 30.09 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 0.85 -1.93 -3.93 -1.40 8.25 -1.26 -4.75 115.22 111.05 2js3 n HIS 9 Ca 0.08 0.98 -0.30 0.00 -0.26 0.00 0.00 57.72 58.21 2js3 n HIS 9 Cb 0.57 -1.75 -0.14 0.00 1.12 0.00 0.00 29.99 29.78 2js3 n HIS 9 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2js3 s HIS 10 N -1.93 3.13 0.00 4.41 2.46 -1.26 -5.10 115.29 117.00 2js3 s HIS 10 Ca 0.00 -2.95 0.00 0.00 0.47 0.00 0.00 55.06 52.58 2js3 s HIS 10 Cb 0.00 -2.68 0.00 0.00 -0.13 0.00 0.00 32.58 29.77 2js3 s HIS 10 CO 0.00 -0.82 0.00 0.43 -2.47 0.00 0.00 174.74 171.88 2js3 n SER 11 N 3.61 0.00 -1.80 9.88 7.64 -1.26 -4.95 113.62 126.73 2js3 n SER 11 Ca 0.05 -0.91 -0.01 0.00 1.01 0.00 0.00 58.87 59.01 2js3 n SER 11 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2js3 n SER 11 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2js3 n SER 12 N -2.74 -3.43 -4.88 6.43 7.64 -1.26 -5.06 113.62 110.32 2js3 n SER 12 Ca 0.00 0.27 -0.30 0.00 1.01 0.00 0.00 58.87 59.86 2js3 n SER 12 Cb 0.00 -2.04 0.07 0.00 -1.01 0.00 0.00 64.21 61.23 2js3 n SER 12 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2js3 s GLY 13 N -0.71 1.61 -0.72 0.23 0.00 -1.26 -4.98 107.32 101.49 2js3 s GLY 13 Ca 0.02 -0.47 -0.26 0.00 0.00 0.00 0.00 44.72 44.01 2js3 s GLY 13 CO 0.19 -0.04 1.19 0.50 0.00 0.00 0.00 173.10 174.93 2js3 s ARG 14 N -5.44 3.17 0.00 2.90 0.52 -1.26 -4.68 118.95 114.16 2js3 s ARG 14 Ca 0.60 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.39 2js3 s ARG 14 Cb -0.11 -4.20 0.00 0.00 0.52 0.00 0.00 34.95 31.15 2js3 s ARG 14 CO 0.51 -2.06 0.00 -1.91 0.02 0.00 0.00 175.30 171.86 2js3 n GLU 15 N 8.90 0.00 -2.32 3.54 2.13 -1.26 -5.15 120.64 126.47 2js3 n GLU 15 Ca 0.01 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.82 2js3 n GLU 15 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.18 2js3 n GLU 15 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2js3 n ASN 16 N -0.61 -6.77 -0.43 4.31 5.15 -1.26 -4.96 115.26 110.69 2js3 n ASN 16 Ca 0.00 1.61 0.07 0.00 -0.60 0.00 0.00 54.58 55.66 2js3 n ASN 16 Cb 0.00 -4.95 0.15 0.00 -0.53 0.00 0.00 39.78 34.45 2js3 n ASN 16 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2js3 n LEU 17 N 1.68 2.86 -1.12 1.20 4.32 -1.26 -5.01 117.00 119.67 2js3 n LEU 17 Ca -0.11 -2.61 0.15 0.00 -0.02 0.00 0.00 56.01 53.42 2js3 n LEU 17 Cb 0.17 -0.33 -0.05 0.00 -1.62 0.00 0.00 43.42 41.58 2js3 n LEU 17 CO 0.10 0.66 -0.33 0.00 -1.22 0.00 0.00 177.39 176.60 2js3 n TYR 18 N -0.55 -2.90 0.92 -1.77 9.36 -1.26 -3.78 117.16 117.19 2js3 n TYR 18 Ca 0.13 1.51 0.00 0.00 3.32 0.00 0.00 57.90 62.86 2js3 n TYR 18 Cb 0.59 -2.63 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 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 -3.85 0.00 -0.34 2.98 3.72 -1.26 -2.18 117.46 116.54 2js3 n PHE 19 Ca -0.02 -0.37 0.02 0.00 -0.05 0.00 0.00 57.45 57.03 2js3 n PHE 19 Cb 0.52 -0.21 0.03 0.00 -0.94 0.00 0.00 39.48 38.89 2js3 n PHE 19 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2js3 n GLN 20 N 0.44 2.41 0.00 -1.08 7.27 -1.26 -5.00 117.38 120.15 2js3 n GLN 20 Ca 0.00 -1.72 0.00 0.00 0.07 0.00 0.00 57.00 55.35 2js3 n GLN 20 Cb 0.42 -1.09 0.00 0.00 2.41 0.00 0.00 30.24 31.97 2js3 n GLN 20 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2js3 n GLY 21 N -0.70 1.18 1.10 1.69 0.00 -0.93 -5.14 105.19 102.39 2js3 n GLY 21 Ca 0.04 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2js3 n GLY 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2js3 n MET 22 N 0.00 -3.10 0.00 1.61 2.81 -1.24 -4.97 117.12 112.22 2js3 n MET 22 Ca 0.00 2.25 0.00 0.00 -1.81 0.00 0.00 57.70 58.14 2js3 n MET 22 Cb 0.00 -2.49 0.00 0.00 -0.71 0.00 0.00 33.22 30.02 2js3 n MET 22 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2js3 n THR 23 N -0.10 0.00 0.00 2.03 -1.04 -1.26 -4.84 114.28 109.08 2js3 n THR 23 Ca 0.00 0.62 0.00 0.00 -2.04 0.00 0.00 64.05 62.63 2js3 n THR 23 Cb 0.00 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 2js3 n THR 23 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2js3 n ASP 24 N -1.72 0.00 0.09 8.00 2.03 -1.26 -4.87 116.55 118.82 2js3 n ASP 24 Ca 0.00 -0.01 0.08 0.00 0.52 0.00 0.00 54.79 55.38 2js3 n ASP 24 Cb 0.00 0.01 0.37 0.00 -0.72 0.00 0.00 41.12 40.78 2js3 n ASP 24 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2js3 n THR 25 N -0.01 1.25 -0.25 5.18 -1.04 -1.26 -2.38 114.28 115.77 2js3 n THR 25 Ca 0.00 0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 62.46 2js3 n THR 25 Cb 0.00 -1.45 0.06 0.00 -1.82 0.00 0.00 70.33 67.12 2js3 n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2js3 h ALA 26 N 2.13 0.88 0.00 2.41 0.00 -1.90 -1.86 119.26 120.91 2js3 h ALA 26 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2js3 h ALA 26 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2js3 h ALA 26 CO 0.00 0.28 -0.64 0.00 0.00 0.00 0.00 179.25 178.89 2js3 h ALA 27 N 1.26 0.75 0.01 0.00 0.00 -1.84 -3.16 119.26 116.28 2js3 h ALA 27 Ca 0.26 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2js3 h ALA 27 Cb -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2js3 h ALA 27 CO -0.06 0.80 -0.00 0.93 0.00 0.00 0.00 179.25 180.91 2js3 h GLU 28 N 0.00 -0.01 0.20 0.00 4.39 -1.44 -2.11 114.58 115.61 2js3 h GLU 28 Ca -0.01 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.35 2js3 h GLU 28 Cb 1.28 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.95 2js3 h GLU 28 CO 0.08 0.22 -1.66 0.22 -1.16 0.00 0.00 179.01 176.72 2js3 h ASP 29 N -0.24 0.67 0.17 1.42 3.58 -1.57 -3.29 116.42 117.16 2js3 h ASP 29 Ca -0.00 -0.93 -0.05 0.00 0.42 0.00 0.00 57.03 56.47 2js3 h ASP 29 Cb 0.24 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2js3 h ASP 29 CO 0.00 1.76 -0.21 0.58 -2.88 0.00 0.00 179.24 178.49 2js3 h VAL 30 N 0.09 1.17 -0.77 2.25 2.07 -1.65 -0.57 116.25 118.84 2js3 h VAL 30 Ca -0.32 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.48 2js3 h VAL 30 Cb 2.10 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 2js3 h VAL 30 CO 0.20 0.24 0.51 -0.09 0.02 0.00 0.00 177.57 178.44 2js3 h ARG 31 N 0.07 0.73 -0.40 1.57 2.43 -1.45 0.26 114.38 117.58 2js3 h ARG 31 Ca 0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2js3 h ARG 31 Cb 0.41 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2js3 h ARG 31 CO 0.03 0.48 0.24 -0.22 -1.51 0.00 0.00 179.97 178.99 2js3 h LYS 32 N 0.75 0.55 -0.12 0.20 3.64 -1.16 0.12 116.57 120.54 2js3 h LYS 32 Ca 0.35 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.48 2js3 h LYS 32 Cb 0.37 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2js3 h LYS 32 CO -0.13 0.42 -0.68 0.82 -2.27 0.00 0.00 179.45 177.61 2js3 h ILE 33 N 0.53 1.31 -0.45 2.00 2.04 -1.30 -3.18 117.51 118.46 2js3 h ILE 33 Ca 0.14 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.04 2js3 h ILE 33 Cb 0.02 2.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 2js3 h ILE 33 CO -0.03 0.60 0.13 0.00 0.00 0.00 0.00 178.15 178.85 2js3 h ALA 34 N 0.51 0.59 -0.14 1.87 0.00 -0.32 -1.38 119.26 120.38 2js3 h ALA 34 Ca -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2js3 h ALA 34 Cb 1.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2js3 h ALA 34 CO 0.14 0.25 -0.05 1.15 0.00 0.00 0.00 179.25 180.74 2js3 h THR 35 N 0.59 1.13 0.07 0.00 2.02 -0.84 -1.92 112.91 113.96 2js3 h THR 35 Ca 0.14 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2js3 h THR 35 Cb 0.28 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 2js3 h THR 35 CO -0.00 0.17 -0.04 0.00 0.37 0.00 0.00 175.52 176.02 2js3 h ALA 36 N 1.75 -0.10 0.00 6.16 0.00 -1.44 -3.28 119.26 122.35 2js3 h ALA 36 Ca 0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2js3 h ALA 36 Cb 0.23 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2js3 h ALA 36 CO 0.01 -0.25 -0.09 1.37 0.00 0.00 0.00 179.25 180.29 2js3 h LEU 37 N -0.72 0.00 -0.90 0.00 8.10 -1.02 0.42 115.31 121.20 2js3 h LEU 37 Ca -0.01 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 2js3 h LEU 37 Cb 0.58 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.77 2js3 h LEU 37 CO 0.02 0.09 0.14 0.25 -4.11 0.00 0.00 178.44 174.82 2js3 h LEU 38 N 0.00 0.90 0.00 0.17 5.85 -1.42 -3.08 115.31 117.73 2js3 h LEU 38 Ca -0.00 -0.18 -0.14 0.00 0.84 0.00 0.00 57.88 58.40 2js3 h LEU 38 Cb 0.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2js3 h LEU 38 CO 0.01 0.88 -1.16 0.29 -0.34 0.00 0.00 178.44 178.12 2js3 n LYS 39 N -4.25 0.52 -1.94 1.25 4.76 -0.66 -4.70 118.16 113.15 2js3 n LYS 39 Ca 0.04 0.42 -0.39 0.00 -2.87 0.00 0.00 58.31 55.51 2js3 n LYS 39 Cb 0.25 -1.61 0.03 0.00 -1.84 0.00 0.00 35.03 31.86 2js3 n LYS 39 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2js3 n THR 40 N -4.47 3.80 -0.99 -0.18 -2.24 0.14 -3.56 114.28 106.78 2js3 n THR 40 Ca -0.23 -4.33 0.00 0.00 -2.27 0.00 0.00 64.05 57.22 2js3 n THR 40 Cb 0.53 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.35 0.77 -2.65 6.98 0.00 -1.16 -4.71 120.51 119.38 2js3 n ALA 41 Ca 0.53 -0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 2js3 n ALA 41 Cb 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 2js3 n ALA 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2js3 s ILE 42 N -0.01 2.80 -0.04 0.00 1.09 -1.23 -4.62 121.20 119.18 2js3 s ILE 42 Ca 0.00 -0.80 -0.02 0.00 -1.10 0.00 0.00 60.65 58.73 2js3 s ILE 42 Cb 0.00 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.27 2js3 s ILE 42 CO 0.00 0.57 0.07 -1.83 -0.10 0.00 0.00 174.94 173.65 2js3 s GLU 43 N -0.37 3.11 -0.36 2.79 -1.05 -1.24 -4.98 118.70 116.60 2js3 s GLU 43 Ca 0.03 -0.41 -0.12 0.00 -0.15 0.00 0.00 54.97 54.33 2js3 s GLU 43 Cb -0.12 -2.90 0.01 0.00 -0.44 0.00 0.00 34.13 30.68 2js3 s GLU 43 CO 0.02 0.68 0.22 0.96 0.95 0.00 0.00 175.26 178.10 2js3 s ILE 44 N -1.09 4.89 -0.24 1.83 -4.36 -1.26 -2.71 121.20 118.26 2js3 s ILE 44 Ca 0.19 -0.57 -0.10 0.00 -0.26 0.00 0.00 60.65 59.91 2js3 s ILE 44 Cb -0.12 -3.63 -0.05 0.00 1.25 0.00 0.00 42.46 39.92 2js3 s ILE 44 CO 0.09 -0.13 0.16 -0.69 0.24 0.00 0.00 174.94 174.61 2js3 s VAL 45 N 1.63 5.32 0.17 8.37 1.01 -0.59 -4.85 120.40 131.46 2js3 s VAL 45 Ca 0.04 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 2js3 s VAL 45 Cb -0.18 -3.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 2js3 s VAL 45 CO 0.08 0.34 0.87 -0.55 0.00 0.00 0.00 175.10 175.84 2js3 s SER 46 N 1.08 7.49 0.04 3.32 0.15 -1.26 0.44 113.70 124.96 2js3 s SER 46 Ca 0.07 1.76 0.00 0.00 0.70 0.00 0.00 55.95 58.49 2js3 s SER 46 Cb -0.14 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 2js3 s SER 46 CO 0.05 0.12 -0.04 -1.61 1.20 0.00 0.00 173.24 172.96 2js3 s GLU 47 N -0.83 0.47 0.43 5.44 2.02 -1.26 -4.78 118.70 120.19 2js3 s GLU 47 Ca 0.40 -0.87 0.23 0.00 0.02 0.00 0.00 54.97 54.75 2js3 s GLU 47 Cb -0.24 0.05 0.82 0.00 0.10 0.00 0.00 34.13 34.86 2js3 s GLU 47 CO 0.29 -0.05 1.78 1.49 0.02 0.00 0.00 175.26 178.79 2js3 h GLU 48 N 4.05 0.00 0.06 1.61 4.81 -1.96 -0.86 114.58 122.29 2js3 h GLU 48 Ca -0.33 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.90 2js3 h GLU 48 Cb 1.18 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2js3 h GLU 48 CO 0.50 0.24 -0.32 0.22 -0.73 0.00 0.00 179.01 178.92 2js3 h ASP 49 N 0.00 -0.97 0.00 1.04 3.58 -2.01 -3.40 116.42 114.67 2js3 h ASP 49 Ca -0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 2js3 h ASP 49 Cb 0.81 0.36 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2js3 h ASP 49 CO 0.03 -0.33 0.00 0.61 -2.88 0.00 0.00 179.24 176.67 2js3 n GLY 50 N -1.29 1.00 0.00 -0.78 0.00 -1.25 -5.14 105.19 97.74 2js3 n GLY 50 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2js3 n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2js3 n GLY 51 N 0.00 -1.70 1.91 -0.02 0.00 -0.33 -4.91 105.19 100.14 2js3 n GLY 51 Ca 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 2js3 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2js3 n ALA 52 N 0.32 -1.51 -2.60 4.61 0.00 -1.26 -4.45 120.51 115.62 2js3 n ALA 52 Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 2js3 n ALA 52 Cb 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 2js3 n ALA 52 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2js3 s HIS 53 N -0.54 3.01 -0.61 0.00 4.02 0.17 -3.47 115.29 117.86 2js3 s HIS 53 Ca 0.08 0.76 -0.27 0.00 1.02 0.00 0.00 55.06 56.65 2js3 s HIS 53 Cb -0.01 -3.88 0.03 0.00 -1.02 0.00 0.00 32.58 27.70 2js3 s HIS 53 CO 0.19 -0.96 1.17 1.21 1.02 0.00 0.00 174.74 177.37 2js3 s ASN 54 N 2.03 6.36 -0.10 1.40 3.84 -0.99 -1.55 114.94 125.94 2js3 s ASN 54 Ca 0.41 -0.11 0.01 0.00 0.21 0.00 0.00 52.86 53.38 2js3 s ASN 54 Cb -0.11 -2.53 0.02 0.00 -0.55 0.00 0.00 41.25 38.08 2js3 s ASN 54 CO 0.22 -1.52 -0.11 -1.58 -2.79 0.00 0.00 177.10 171.32 2js3 s GLN 55 N 4.95 1.76 -0.04 0.43 0.74 -1.10 -0.36 119.66 126.04 2js3 s GLN 55 Ca 0.39 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 55.12 2js3 s GLN 55 Cb -0.09 -1.64 -0.06 0.00 1.10 0.00 0.00 33.01 32.32 2js3 s GLN 55 CO 0.22 -0.15 1.76 0.00 -0.55 0.00 0.00 175.29 176.56 2js3 n LYS 57 N 7.32 0.27 0.02 0.00 4.81 -1.26 -1.34 118.16 127.97 2js3 n LYS 57 Ca 0.18 0.05 -0.09 0.00 -0.87 0.00 0.00 58.31 57.58 2js3 n LYS 57 Cb 0.42 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.91 2js3 n LYS 57 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2js3 h LEU 58 N 0.00 -0.13 0.00 3.14 5.85 -1.92 -3.39 115.31 118.87 2js3 h LEU 58 Ca 0.00 -0.37 -0.15 0.00 0.84 0.00 0.00 57.88 58.20 2js3 h LEU 58 Cb 0.30 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2js3 h LEU 58 CO 0.00 0.49 -2.03 0.00 -0.34 0.00 0.00 178.44 176.56 2js3 n GLY 60 N 1.65 0.77 2.94 0.00 0.00 -0.45 -5.11 105.19 104.99 2js3 n GLY 60 Ca -0.15 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.68 0.83 0.29 4.61 0.00 -1.20 -4.99 121.76 118.63 2js3 s ALA 61 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 51.96 51.88 2js3 s ALA 61 Cb 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2js3 s ALA 61 CO 0.00 0.05 -0.12 -1.54 0.00 0.00 0.00 175.76 174.14 2js3 s SER 62 N 0.74 3.25 0.01 0.00 1.04 -1.26 -1.48 113.70 116.01 2js3 s SER 62 Ca -0.12 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.23 2js3 s SER 62 Cb -0.14 -0.25 -0.01 0.00 0.10 0.00 0.00 66.02 65.71 2js3 s SER 62 CO 0.01 -0.16 -0.09 0.54 0.98 0.00 0.00 173.24 174.52 2js3 s VAL 63 N -2.74 0.72 0.05 5.02 0.11 0.51 -4.94 120.40 119.13 2js3 s VAL 63 Ca 0.29 -0.61 -0.35 0.00 -2.93 0.00 0.00 61.98 58.38 2js3 s VAL 63 Cb 0.00 -0.64 -0.14 0.00 -1.53 0.00 0.00 36.38 34.06 2js3 s VAL 63 CO 0.13 0.04 1.59 -0.81 -3.33 0.00 0.00 175.10 172.73 2js3 n PRO 64 N 2.42 1.79 0.24 1.54 -0.04 -1.26 -2.33 135.00 137.36 2js3 n PRO 64 Ca -0.16 0.65 0.07 0.00 -0.04 0.00 0.00 63.50 64.03 2js3 n PRO 64 Cb 0.56 -2.39 0.58 0.00 -0.04 0.00 0.00 33.50 32.21 2js3 n PRO 64 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2js3 h TRP 65 N 6.34 0.00 -0.34 0.54 5.08 -1.77 -2.06 115.95 123.74 2js3 h TRP 65 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 2js3 h TRP 65 Cb 1.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.44 2js3 h TRP 65 CO 0.68 0.15 0.00 1.28 -1.28 0.00 0.00 178.44 179.27 2js3 n LEU 66 N -4.19 3.27 -0.03 0.11 4.77 -1.26 -4.13 117.00 115.54 2js3 n LEU 66 Ca -0.02 -1.65 -0.02 0.00 -0.03 0.00 0.00 56.01 54.29 2js3 n LEU 66 Cb 0.22 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2js3 n LEU 66 CO 0.34 0.48 -0.12 -0.61 -1.33 0.00 0.00 177.39 176.16 2js3 h GLN 67 N 2.27 0.00 0.00 3.23 4.15 -1.75 -3.49 115.11 119.51 2js3 h GLN 67 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2js3 h GLN 67 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2js3 h GLN 67 CO 0.20 0.00 0.00 -2.37 -1.93 0.00 0.00 178.83 174.73 2js3 n THR 68 N -3.37 0.00 -3.28 2.39 5.66 -1.26 -5.16 114.28 109.26 2js3 n THR 68 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 2js3 n THR 68 Cb 0.09 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 2js3 n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2js3 n GLY 69 N 0.00 -1.29 5.07 1.09 0.00 -1.26 -4.93 105.19 103.87 2js3 n GLY 69 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 0.19 0.00 -4.55 1.61 2.03 -1.26 -4.71 116.55 109.86 2js3 n ASP 70 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 2js3 n ASP 70 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2js3 n ASP 70 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2js3 s GLU 71 N 0.00 2.86 -0.30 -0.67 0.41 -1.26 -4.95 118.70 114.79 2js3 s GLU 71 Ca 0.00 0.26 -0.04 0.00 -0.41 0.00 0.00 54.97 54.78 2js3 s GLU 71 Cb 0.00 -4.30 0.03 0.00 -1.78 0.00 0.00 34.13 28.08 2js3 s GLU 71 CO 0.00 -2.50 0.03 0.42 -0.49 0.00 0.00 175.26 172.72 2js3 s ILE 72 N 7.72 3.37 -0.47 -1.63 -1.09 -1.26 -5.06 121.20 122.78 2js3 s ILE 72 Ca 0.54 -1.08 -0.27 0.00 -2.23 0.00 0.00 60.65 57.61 2js3 s ILE 72 Cb -0.11 -2.83 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 2js3 s ILE 72 CO 0.18 -0.01 1.89 -0.54 -1.23 0.00 0.00 174.94 175.23 2js3 s LYS 73 N 1.36 2.89 0.64 2.79 -0.14 -1.26 -4.97 119.74 121.06 2js3 s LYS 73 Ca -0.01 1.05 0.04 0.00 -1.36 0.00 0.00 55.97 55.69 2js3 s LYS 73 Cb -0.18 -4.32 0.10 0.00 -1.68 0.00 0.00 37.83 31.75 2js3 s LYS 73 CO -0.00 -2.40 0.88 -1.01 -0.76 0.00 0.00 175.35 172.07 2js3 s HIS 74 N 8.40 1.60 0.33 3.18 3.76 -1.26 -4.99 115.29 126.31 2js3 s HIS 74 Ca 0.76 -0.46 -0.13 0.00 -0.15 0.00 0.00 55.06 55.07 2js3 s HIS 74 Cb -0.17 -2.63 -0.08 0.00 1.11 0.00 0.00 32.58 30.80 2js3 s HIS 74 CO 0.27 -1.40 0.72 0.00 -0.85 0.00 0.00 174.74 173.48 2js3 s ALA 75 N -2.90 3.36 -0.59 -1.40 0.00 -1.26 -4.96 121.76 114.02 2js3 s ALA 75 Ca 0.64 -0.05 0.21 0.00 0.00 0.00 0.00 51.96 52.75 2js3 s ALA 75 Cb -0.06 -2.71 0.89 0.00 0.00 0.00 0.00 23.12 21.25 2js3 s ALA 75 CO 0.41 0.29 1.64 -3.47 0.00 0.00 0.00 175.76 174.63 2js3 n ASP 76 N -0.52 0.51 0.05 0.00 2.03 -1.26 -1.88 116.55 115.48 2js3 n ASP 76 Ca 0.03 0.63 0.13 0.00 0.52 0.00 0.00 54.79 56.10 2js3 n ASP 76 Cb 0.53 -0.74 0.41 0.00 -0.72 0.00 0.00 41.12 40.61 2js3 n ASP 76 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2js3 n ASP 77 N -2.07 0.51 -4.76 1.67 2.03 -1.26 -4.84 116.55 107.83 2js3 n ASP 77 Ca 0.02 0.37 -0.39 0.00 0.52 0.00 0.00 54.79 55.31 2js3 n ASP 77 Cb 0.20 -0.41 -0.05 0.00 -0.72 0.00 0.00 41.12 40.14 2js3 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2js3 n PRO 79 N 2.62 0.41 0.12 0.00 -0.04 -1.26 -2.29 135.00 134.56 2js3 n PRO 79 Ca -0.05 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2js3 n PRO 79 Cb 0.50 -1.36 0.10 0.00 -0.04 0.00 0.00 33.50 32.71 2js3 n PRO 79 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2js3 h VAL 80 N 0.00 1.48 0.10 0.52 2.07 -1.91 -2.91 116.25 115.60 2js3 h VAL 80 Ca 0.00 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 2js3 h VAL 80 Cb 0.00 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2js3 h VAL 80 CO 0.00 0.69 -0.05 0.58 0.02 0.00 0.00 177.57 178.81 2js3 h VAL 81 N 0.00 0.92 -0.41 2.57 2.07 -1.76 0.59 116.25 120.23 2js3 h VAL 81 Ca -0.01 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2js3 h VAL 81 Cb 1.26 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2js3 h VAL 81 CO 0.09 0.02 0.08 -0.29 0.02 0.00 0.00 177.57 177.49 2js3 h ILE 82 N -0.18 1.24 -0.88 4.57 6.09 -1.78 -2.77 117.51 123.80 2js3 h ILE 82 Ca -0.01 -0.84 0.09 0.00 -1.37 0.00 0.00 64.86 62.72 2js3 h ILE 82 Cb 0.14 1.01 -0.07 0.00 0.47 0.00 0.00 36.82 38.37 2js3 h ILE 82 CO 0.02 0.29 0.52 0.00 -3.07 0.00 0.00 178.15 175.92 2js3 h ALA 83 N 0.93 1.26 -0.52 0.18 0.00 -1.30 0.26 119.26 120.08 2js3 h ALA 83 Ca 0.12 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2js3 h ALA 83 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2js3 h ALA 83 CO 0.01 0.18 0.08 -0.22 0.00 0.00 0.00 179.25 179.30 2js3 h LYS 84 N 0.89 0.81 -0.42 0.00 3.64 -0.71 -0.43 116.57 120.35 2js3 h LYS 84 Ca 0.41 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 2js3 h LYS 84 Cb 0.34 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2js3 h LYS 84 CO -0.23 0.76 -0.17 1.96 -2.27 0.00 0.00 179.45 179.50 2js3 h GLN 85 N 0.77 0.80 -0.32 1.90 4.20 -0.92 -2.46 115.11 119.08 2js3 h GLN 85 Ca 0.16 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 2js3 h GLN 85 Cb 0.35 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2js3 h GLN 85 CO 0.01 0.91 0.15 0.82 -0.67 0.00 0.00 178.83 180.04 2js3 h ILE 86 N 0.71 1.17 0.00 2.54 1.08 -0.20 -0.01 117.51 122.79 2js3 h ILE 86 Ca 0.11 -0.48 0.00 0.00 -0.39 0.00 0.00 64.86 64.09 2js3 h ILE 86 Cb 0.67 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2js3 h ILE 86 CO 0.05 0.17 0.00 0.17 -0.69 0.00 0.00 178.15 177.85 2js3 h LEU 87 N 0.37 0.00 0.14 1.44 8.10 -1.01 -1.96 115.31 122.39 2js3 h LEU 87 Ca 0.11 0.00 -0.34 0.00 0.11 0.00 0.00 57.88 57.76 2js3 h LEU 87 Cb 0.14 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.35 2js3 h LEU 87 CO -0.01 0.00 -1.74 -1.28 -4.11 0.00 0.00 178.44 171.30 2js3 h SER 88 N 0.00 0.46 -0.55 0.17 0.87 -0.96 -3.47 113.55 110.06 2js3 h SER 88 Ca 0.00 -0.74 -0.24 0.00 -1.23 0.00 0.00 61.79 59.58 2js3 h SER 88 Cb 0.39 -0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 62.11 2js3 h SER 88 CO 0.00 1.64 -0.22 -1.20 -0.53 0.00 0.00 176.83 176.52 2js3 n SER 89 N -3.48 -4.99 -3.98 6.23 7.64 -0.06 -4.96 113.62 110.02 2js3 n SER 89 Ca -0.23 0.29 -0.09 0.00 1.01 0.00 0.00 58.87 59.85 2js3 n SER 89 Cb 1.06 -3.51 -0.10 0.00 -1.01 0.00 0.00 64.21 60.64 2js3 n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2js3 s ARG 90 N -2.85 0.50 -0.20 1.43 1.70 -1.26 -5.09 118.95 113.17 2js3 s ARG 90 Ca 0.00 -0.81 -0.29 0.00 -0.47 0.00 0.00 55.73 54.16 2js3 s ARG 90 Cb 0.00 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 2js3 s ARG 90 CO 0.00 -0.10 1.56 -2.14 -1.08 0.00 0.00 175.30 173.53 2js3 s PRO 91 N -2.51 3.91 -0.10 3.89 0.02 -1.26 -5.01 135.00 133.94 2js3 s PRO 91 Ca -0.06 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 62.53 2js3 s PRO 91 Cb -0.02 -3.99 -0.05 0.00 0.02 0.00 0.00 34.50 30.47 2js3 s PRO 91 CO -0.05 -1.15 0.32 -1.59 -0.33 0.00 0.00 177.00 174.21 2js3 s LYS 92 N 4.41 4.03 0.20 5.54 0.00 -1.26 -5.09 119.74 127.57 2js3 s LYS 92 Ca 0.69 0.20 0.11 0.00 0.00 0.00 0.00 55.97 56.96 2js3 s LYS 92 Cb -0.25 -3.32 -0.04 0.00 0.00 0.00 0.00 37.83 34.21 2js3 s LYS 92 CO 0.27 0.46 -0.17 -0.51 0.00 0.00 0.00 175.35 175.40 2js3 s LEU 93 N -0.25 2.67 -0.18 2.77 2.01 -1.26 -4.95 118.68 119.48 2js3 s LEU 93 Ca 0.19 -0.78 -0.02 0.00 0.01 0.00 0.00 54.13 53.54 2js3 s LEU 93 Cb -0.14 -1.35 0.00 0.00 0.01 0.00 0.00 46.19 44.71 2js3 s LEU 93 CO 0.08 0.10 0.04 1.57 1.01 0.00 0.00 176.35 179.14 2js3 n HIS 94 N 0.03 -2.23 -4.00 0.29 -0.00 -1.26 -5.01 115.22 103.03 2js3 n HIS 94 Ca -0.11 0.98 -0.22 0.00 0.46 0.00 0.00 57.72 58.83 2js3 n HIS 94 Cb 0.56 -2.66 -0.03 0.00 -0.12 0.00 0.00 29.99 27.75 2js3 n HIS 94 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2js3 s ALA 95 N -1.39 3.84 0.00 1.57 0.00 -1.26 -5.34 121.76 119.18 2js3 s ALA 95 Ca 0.02 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2js3 s ALA 95 Cb -0.00 -1.62 0.00 0.00 0.00 0.00 0.00 23.12 21.49 2js3 s ALA 95 CO 0.45 0.30 0.14 1.55 0.00 0.00 0.00 175.76 178.20