#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2js3 s GLY 2 N 0.00 0.09 0.19 -5.12 0.00 -1.26 -4.91 107.32 96.30 2js3 s GLY 2 Ca 0.00 -0.40 0.10 0.00 0.00 0.00 0.00 44.72 44.42 2js3 s GLY 2 CO 0.00 0.25 1.38 1.48 0.00 0.00 0.00 173.10 176.21 2js3 h SER 3 N 2.00 0.00 -2.85 1.64 4.64 -1.97 -3.45 113.55 113.57 2js3 h SER 3 Ca -0.26 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.43 2js3 h SER 3 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 2js3 h SER 3 CO 0.32 0.79 -0.45 -0.55 -0.87 0.00 0.00 176.83 176.08 2js3 s SER 4 N -6.64 6.42 -0.08 4.97 0.15 -1.26 -5.06 113.70 112.20 2js3 s SER 4 Ca 0.01 0.44 -0.30 0.00 0.70 0.00 0.00 55.95 56.80 2js3 s SER 4 Cb 0.10 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.34 2js3 s SER 4 CO 0.79 0.26 1.23 -1.38 1.20 0.00 0.00 173.24 175.33 2js3 s HIS 5 N -1.31 3.08 0.03 3.44 0.00 -1.26 -5.02 115.29 114.25 2js3 s HIS 5 Ca 0.27 1.14 0.03 0.00 -3.00 0.00 0.00 55.06 53.50 2js3 s HIS 5 Cb -0.13 -3.45 -0.02 0.00 -4.00 0.00 0.00 32.58 24.98 2js3 s HIS 5 CO 0.17 -1.47 -0.09 -1.01 -1.00 0.00 0.00 174.74 171.35 2js3 s HIS 6 N 2.58 0.75 0.01 0.38 4.02 -1.26 -5.16 115.29 116.61 2js3 s HIS 6 Ca 0.56 -0.33 0.02 0.00 1.02 0.00 0.00 55.06 56.32 2js3 s HIS 6 Cb -0.24 -0.45 -0.01 0.00 -1.02 0.00 0.00 32.58 30.85 2js3 s HIS 6 CO 0.20 -0.03 -0.05 -3.38 1.02 0.00 0.00 174.74 172.50 2js3 s HIS 7 N -0.85 0.47 -0.29 1.40 0.00 -1.26 -5.09 115.29 109.67 2js3 s HIS 7 Ca -0.03 -0.24 -0.03 0.00 -3.00 0.00 0.00 55.06 51.76 2js3 s HIS 7 Cb -0.07 -0.30 0.17 0.00 -4.00 0.00 0.00 32.58 28.38 2js3 s HIS 7 CO 0.00 -0.04 0.57 -1.58 -1.00 0.00 0.00 174.74 172.70 2js3 s HIS 8 N -0.59 -1.42 0.72 0.38 5.04 -1.26 -5.16 115.29 113.00 2js3 s HIS 8 Ca -0.03 1.73 -0.14 0.00 -1.54 0.00 0.00 55.06 55.08 2js3 s HIS 8 Cb -0.05 0.54 0.03 0.00 0.04 0.00 0.00 32.58 33.14 2js3 s HIS 8 CO -0.00 -0.80 1.13 -3.38 -2.34 0.00 0.00 174.74 169.36 2js3 s HIS 9 N 2.82 2.39 -1.21 3.88 0.00 -1.26 -4.88 115.29 117.03 2js3 s HIS 9 Ca 0.13 1.58 -0.21 0.00 -3.00 0.00 0.00 55.06 53.57 2js3 s HIS 9 Cb -0.14 -3.24 -0.02 0.00 -4.00 0.00 0.00 32.58 25.18 2js3 s HIS 9 CO -0.20 -2.02 1.84 -1.01 -1.00 0.00 0.00 174.74 172.36 2js3 s HIS 10 N -2.37 2.30 -0.85 0.38 0.09 -1.26 -4.89 115.29 108.68 2js3 s HIS 10 Ca 0.68 -0.41 -0.24 0.00 -0.00 0.00 0.00 55.06 55.09 2js3 s HIS 10 Cb -0.22 -4.33 0.06 0.00 -0.00 0.00 0.00 32.58 28.09 2js3 s HIS 10 CO 0.46 -1.49 1.25 0.45 -0.00 0.00 0.00 174.74 175.42 2js3 s SER 11 N 5.59 6.35 -0.07 1.40 0.15 -1.26 -4.89 113.70 120.98 2js3 s SER 11 Ca 0.62 -1.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.10 2js3 s SER 11 Cb 0.01 -2.51 -0.08 0.00 -1.71 0.00 0.00 66.02 61.72 2js3 s SER 11 CO 0.10 -1.53 2.72 -1.20 1.20 0.00 0.00 173.24 174.52 2js3 n SER 12 N 8.46 5.50 -4.91 5.45 7.64 -1.26 -4.89 113.62 129.61 2js3 n SER 12 Ca 0.15 -2.56 -0.26 0.00 1.01 0.00 0.00 58.87 57.21 2js3 n SER 12 Cb 0.49 -1.25 0.07 0.00 -1.01 0.00 0.00 64.21 62.51 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 1.70 1.69 -0.20 0.23 0.00 -1.26 -5.11 107.32 104.38 2js3 s GLY 13 Ca 0.35 -0.95 -0.28 0.00 0.00 0.00 0.00 44.72 43.84 2js3 s GLY 13 CO -0.02 -0.53 0.91 1.09 0.00 0.00 0.00 173.10 174.55 2js3 s ARG 14 N -5.25 0.68 -0.44 2.90 1.04 -1.26 -4.92 118.95 111.71 2js3 s ARG 14 Ca 0.60 0.45 0.06 0.00 -1.04 0.00 0.00 55.73 55.81 2js3 s ARG 14 Cb -0.11 0.33 0.21 0.00 -2.04 0.00 0.00 34.95 33.34 2js3 s ARG 14 CO 0.45 -0.16 0.44 -1.91 -0.04 0.00 0.00 175.30 174.09 2js3 n GLU 15 N 1.57 0.63 -2.11 3.89 2.13 -1.26 -5.09 120.64 120.40 2js3 n GLU 15 Ca -0.13 -3.36 -0.40 0.00 0.66 0.00 0.00 57.16 53.93 2js3 n GLU 15 Cb 0.57 -1.56 -0.03 0.00 0.27 0.00 0.00 31.44 30.68 2js3 n GLU 15 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2js3 s ASN 16 N -0.67 5.53 -0.01 4.31 4.22 -1.26 -4.21 114.94 122.84 2js3 s ASN 16 Ca 0.34 0.42 0.01 0.00 -2.14 0.00 0.00 52.86 51.49 2js3 s ASN 16 Cb 0.09 -2.53 0.01 0.00 1.28 0.00 0.00 41.25 40.10 2js3 s ASN 16 CO -0.15 -2.16 -0.02 -0.76 -2.04 0.00 0.00 177.10 171.97 2js3 s LEU 17 N 8.16 1.65 0.00 3.54 1.43 -1.26 -5.13 118.68 127.07 2js3 s LEU 17 Ca 0.65 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 2js3 s LEU 17 Cb -0.13 -0.19 0.05 0.00 0.03 0.00 0.00 46.19 45.94 2js3 s LEU 17 CO 0.23 -0.02 0.28 0.00 0.23 0.00 0.00 176.35 177.07 2js3 n TYR 18 N 3.49 -3.92 -1.57 0.29 9.36 -1.26 -4.79 117.16 118.75 2js3 n TYR 18 Ca -0.19 -0.25 -0.29 0.00 3.32 0.00 0.00 57.90 60.49 2js3 n TYR 18 Cb 0.55 -0.22 0.18 0.00 -0.63 0.00 0.00 39.34 39.22 2js3 n TYR 18 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 2js3 s PHE 19 N -1.60 1.70 0.00 2.98 0.08 -1.26 -3.23 117.98 116.65 2js3 s PHE 19 Ca 0.16 0.58 0.00 0.00 0.12 0.00 0.00 56.93 57.78 2js3 s PHE 19 Cb -0.01 -3.66 0.00 0.00 -0.57 0.00 0.00 43.02 38.79 2js3 s PHE 19 CO 0.11 -2.83 0.00 0.94 -0.10 0.00 0.00 175.22 173.34 2js3 n GLN 20 N -4.00 0.00 -3.24 0.44 7.27 -1.26 -4.47 117.38 112.11 2js3 n GLN 20 Ca 0.11 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.89 2js3 n GLN 20 Cb 0.59 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.18 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 0.00 5.09 0.00 1.69 0.00 -1.25 -5.07 105.19 105.65 2js3 n GLY 21 Ca 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 46.02 43.25 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 0.59 0.45 -2.36 1.61 2.81 -1.20 -4.47 117.12 114.56 2js3 n MET 22 Ca 0.30 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 56.14 2js3 n MET 22 Cb 0.39 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.90 2js3 n MET 22 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 2js3 n THR 23 N -1.50 0.00 0.06 2.03 5.66 -1.26 -5.05 114.28 114.22 2js3 n THR 23 Ca 0.00 -0.59 -0.12 0.00 -3.05 0.00 0.00 64.05 60.29 2js3 n THR 23 Cb 0.00 0.41 -0.09 0.00 -1.55 0.00 0.00 70.33 69.10 2js3 n THR 23 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2js3 h ASP 24 N 0.76 -0.16 0.64 1.09 3.58 -2.00 -3.12 116.42 117.21 2js3 h ASP 24 Ca -0.11 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2js3 h ASP 24 Cb 0.46 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2js3 h ASP 24 CO 0.15 0.29 0.00 0.41 -2.88 0.00 0.00 179.24 177.21 2js3 n THR 25 N -4.97 0.37 0.17 2.25 -1.04 -1.26 -2.86 114.28 106.94 2js3 n THR 25 Ca -0.09 0.09 0.06 0.00 -2.04 0.00 0.00 64.05 62.07 2js3 n THR 25 Cb 0.25 -0.71 0.53 0.00 -1.82 0.00 0.00 70.33 68.58 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 2.91 1.80 -0.03 2.41 0.00 -1.71 0.47 119.26 125.11 2js3 h ALA 26 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2js3 h ALA 26 Cb 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2js3 h ALA 26 CO 0.00 0.16 -0.55 0.00 0.00 0.00 0.00 179.25 178.86 2js3 h ALA 27 N 1.85 1.02 -0.03 0.00 0.00 -1.69 -2.97 119.26 117.45 2js3 h ALA 27 Ca 0.05 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 2js3 h ALA 27 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2js3 h ALA 27 CO -0.00 0.69 -0.85 1.49 0.00 0.00 0.00 179.25 180.57 2js3 h GLU 28 N 0.08 0.36 -0.70 0.00 4.81 -1.15 0.20 114.58 118.18 2js3 h GLU 28 Ca -0.00 -0.36 -0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2js3 h GLU 28 Cb 0.99 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 2js3 h GLU 28 CO 0.08 1.03 0.44 -0.44 -0.73 0.00 0.00 179.01 179.38 2js3 h ASP 29 N 0.22 0.83 0.63 1.04 3.32 -1.05 0.17 116.42 121.58 2js3 h ASP 29 Ca -0.06 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.78 2js3 h ASP 29 Cb 1.47 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 2js3 h ASP 29 CO 0.14 0.63 -0.75 0.58 -1.72 0.00 0.00 179.24 178.13 2js3 h VAL 30 N 0.95 1.50 -0.07 -1.35 2.07 -1.48 -2.92 116.25 114.95 2js3 h VAL 30 Ca 0.25 -2.46 -0.03 0.00 0.82 0.00 0.00 66.70 65.28 2js3 h VAL 30 Cb -0.06 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2js3 h VAL 30 CO -0.05 0.71 -0.11 -0.09 0.02 0.00 0.00 177.57 178.05 2js3 h ARG 31 N 0.06 0.11 -0.29 1.57 2.43 -0.14 -2.84 114.38 115.27 2js3 h ARG 31 Ca -0.02 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2js3 h ARG 31 Cb 1.32 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 2js3 h ARG 31 CO 0.11 0.22 0.12 0.87 -1.51 0.00 0.00 179.97 179.78 2js3 h LYS 32 N 0.11 0.25 -0.27 0.20 1.57 -0.49 0.11 116.57 118.04 2js3 h LYS 32 Ca 0.02 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.68 2js3 h LYS 32 Cb 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2js3 h LYS 32 CO 0.02 0.16 -0.30 -0.84 -0.57 0.00 0.00 179.45 177.92 2js3 h ILE 33 N 0.25 1.28 -0.18 1.86 3.07 -1.59 -1.23 117.51 120.97 2js3 h ILE 33 Ca 0.13 -1.39 -0.03 0.00 1.55 0.00 0.00 64.86 65.12 2js3 h ILE 33 Cb 0.08 1.39 -0.01 0.00 -0.27 0.00 0.00 36.82 38.02 2js3 h ILE 33 CO -0.12 0.44 -0.00 0.00 -1.05 0.00 0.00 178.15 177.43 2js3 h ALA 34 N 1.19 0.24 -0.51 0.16 0.00 -1.34 -2.22 119.26 116.77 2js3 h ALA 34 Ca 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2js3 h ALA 34 Cb 0.76 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2js3 h ALA 34 CO 0.06 -0.05 0.24 1.15 0.00 0.00 0.00 179.25 180.65 2js3 h THR 35 N 0.06 1.18 -0.26 0.00 2.02 -0.61 -2.37 112.91 112.92 2js3 h THR 35 Ca 0.05 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 2js3 h THR 35 Cb 0.38 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2js3 h THR 35 CO 0.01 0.21 -0.00 0.00 0.37 0.00 0.00 175.52 176.10 2js3 h ALA 36 N 1.55 0.36 0.00 6.16 0.00 -1.06 -2.03 119.26 124.23 2js3 h ALA 36 Ca 0.18 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2js3 h ALA 36 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2js3 h ALA 36 CO -0.02 0.10 -0.45 1.37 0.00 0.00 0.00 179.25 180.24 2js3 h LEU 37 N 0.25 0.00 -0.75 0.00 8.10 -1.12 -0.26 115.31 121.53 2js3 h LEU 37 Ca 0.07 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.94 2js3 h LEU 37 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.64 2js3 h LEU 37 CO 0.01 0.45 -0.43 -0.07 -4.11 0.00 0.00 178.44 174.30 2js3 h LEU 38 N 0.00 0.46 0.31 0.17 -0.00 -1.35 -3.03 115.31 111.88 2js3 h LEU 38 Ca -0.00 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 57.65 2js3 h LEU 38 Cb 0.87 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2js3 h LEU 38 CO 0.06 0.84 -0.15 0.50 -0.00 0.00 0.00 178.44 179.69 2js3 h LYS 39 N 0.36 -0.40 -0.90 1.13 1.63 -0.56 -3.39 116.57 114.44 2js3 h LYS 39 Ca 0.03 0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.76 2js3 h LYS 39 Cb 0.90 0.09 -0.17 0.00 -0.60 0.00 0.00 32.23 32.46 2js3 h LYS 39 CO 0.08 -0.10 -0.43 -0.08 -3.45 0.00 0.00 179.45 175.47 2js3 s THR 40 N -3.57 -0.90 -0.55 1.00 -1.32 -0.20 -4.52 115.64 105.60 2js3 s THR 40 Ca -0.11 -0.56 0.05 0.00 -1.21 0.00 0.00 61.69 59.86 2js3 s THR 40 Cb 0.01 0.00 0.10 0.00 -1.51 0.00 0.00 72.50 71.10 2js3 s THR 40 CO 0.38 0.00 0.92 0.00 -2.21 0.00 0.00 174.62 173.71 2js3 n ALA 41 N 3.43 2.26 -2.88 11.08 0.00 -1.14 -4.79 120.51 128.47 2js3 n ALA 41 Ca 0.15 -0.84 -0.34 0.00 0.00 0.00 0.00 53.44 52.41 2js3 n ALA 41 Cb 0.57 -0.20 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.76 4.27 0.18 0.00 1.01 -1.26 -4.97 121.20 119.66 2js3 s ILE 42 Ca 0.09 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.57 2js3 s ILE 42 Cb 0.05 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 2js3 s ILE 42 CO 0.07 0.49 0.16 -0.70 0.00 0.00 0.00 174.94 174.97 2js3 s GLU 43 N 0.24 2.97 -0.16 2.79 2.56 -1.26 -4.97 118.70 120.87 2js3 s GLU 43 Ca 0.00 -0.87 -0.11 0.00 0.00 0.00 0.00 54.97 53.99 2js3 s GLU 43 Cb -0.13 -2.67 -0.05 0.00 2.00 0.00 0.00 34.13 33.28 2js3 s GLU 43 CO 0.02 0.48 0.21 0.96 -0.56 0.00 0.00 175.26 176.36 2js3 s ILE 44 N -1.81 5.36 -0.24 -3.70 -5.25 -1.26 -3.70 121.20 110.60 2js3 s ILE 44 Ca 0.32 0.37 -0.05 0.00 -0.99 0.00 0.00 60.65 60.29 2js3 s ILE 44 Cb -0.10 -3.54 -0.01 0.00 2.95 0.00 0.00 42.46 41.77 2js3 s ILE 44 CO 0.24 0.45 0.01 0.68 -1.79 0.00 0.00 174.94 174.54 2js3 s VAL 45 N 0.12 3.74 0.03 8.37 -7.23 0.33 -4.94 120.40 120.82 2js3 s VAL 45 Ca 0.13 -0.46 -0.20 0.00 -1.81 0.00 0.00 61.98 59.64 2js3 s VAL 45 Cb -0.12 -2.77 -0.06 0.00 0.56 0.00 0.00 36.38 33.98 2js3 s VAL 45 CO 0.02 0.32 0.60 -0.55 -0.31 0.00 0.00 175.10 175.18 2js3 s SER 46 N 1.52 7.03 0.72 4.85 0.15 -1.26 -0.24 113.70 126.47 2js3 s SER 46 Ca 0.05 1.23 -0.05 0.00 0.70 0.00 0.00 55.95 57.88 2js3 s SER 46 Cb -0.15 -2.37 0.10 0.00 -1.71 0.00 0.00 66.02 61.89 2js3 s SER 46 CO -0.00 0.17 1.02 -1.61 1.20 0.00 0.00 173.24 174.01 2js3 s GLU 47 N -0.58 1.85 -0.00 5.44 0.41 0.11 -4.96 118.70 120.97 2js3 s GLU 47 Ca 0.31 -0.65 -0.25 0.00 -0.41 0.00 0.00 54.97 53.97 2js3 s GLU 47 Cb -0.19 -2.22 -0.19 0.00 -1.78 0.00 0.00 34.13 29.75 2js3 s GLU 47 CO 0.18 -1.40 1.31 0.93 -0.49 0.00 0.00 175.26 175.80 2js3 h GLU 48 N -0.63 0.07 0.00 1.61 5.08 -1.98 -3.42 114.58 115.32 2js3 h GLU 48 Ca -0.41 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2js3 h GLU 48 Cb 1.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2js3 h GLU 48 CO 0.49 0.51 -0.37 -3.47 -1.00 0.00 0.00 179.01 175.17 2js3 n ASP 49 N -4.81 1.83 0.19 1.42 2.03 -1.26 -4.83 116.55 111.12 2js3 n ASP 49 Ca -0.08 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.38 2js3 n ASP 49 Cb 0.26 0.23 0.76 0.00 -0.72 0.00 0.00 41.12 41.64 2js3 n ASP 49 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2js3 h GLY 50 N 0.00 0.00 0.00 0.27 0.00 -1.99 -3.48 103.07 97.88 2js3 h GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2js3 h GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2js3 n GLY 51 N -1.48 0.31 3.24 4.60 0.00 -1.26 -4.97 105.19 105.64 2js3 n GLY 51 Ca 0.01 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 2js3 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2js3 s ALA 52 N -1.63 -0.90 -0.13 4.61 0.00 -1.26 0.10 121.76 122.53 2js3 s ALA 52 Ca 0.00 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.09 2js3 s ALA 52 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2js3 s ALA 52 CO 0.00 -0.19 -0.20 -1.01 0.00 0.00 0.00 175.76 174.36 2js3 s HIS 53 N 0.47 2.69 -0.38 0.00 3.76 0.66 -4.61 115.29 117.89 2js3 s HIS 53 Ca -0.02 -1.11 -0.07 0.00 -0.15 0.00 0.00 55.06 53.71 2js3 s HIS 53 Cb -0.04 -1.81 0.07 0.00 1.11 0.00 0.00 32.58 31.90 2js3 s HIS 53 CO -0.02 -0.48 0.18 1.21 -0.85 0.00 0.00 174.74 174.77 2js3 s ASN 54 N 0.65 5.41 -0.02 1.40 3.84 -0.56 -0.51 114.94 125.15 2js3 s ASN 54 Ca -0.10 -1.43 0.00 0.00 0.21 0.00 0.00 52.86 51.54 2js3 s ASN 54 Cb -0.16 -1.90 0.02 0.00 -0.55 0.00 0.00 41.25 38.66 2js3 s ASN 54 CO 0.02 -0.44 0.02 0.00 -2.79 0.00 0.00 177.10 173.91 2js3 s GLN 55 N 1.36 0.03 -0.29 0.43 -2.07 -1.24 0.69 119.66 118.57 2js3 s GLN 55 Ca 0.02 0.12 -0.25 0.00 -1.82 0.00 0.00 55.36 53.42 2js3 s GLN 55 Cb -0.21 -0.23 0.00 0.00 -1.09 0.00 0.00 33.01 31.48 2js3 s GLN 55 CO 0.01 -0.12 0.85 0.00 -1.32 0.00 0.00 175.29 174.72 2js3 n LYS 57 N 6.26 0.23 -0.03 0.00 4.81 -1.26 -0.29 118.16 127.88 2js3 n LYS 57 Ca 0.06 0.23 0.03 0.00 -0.87 0.00 0.00 58.31 57.76 2js3 n LYS 57 Cb 0.48 -1.79 0.15 0.00 0.02 0.00 0.00 35.03 33.89 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 -2.19 0.40 0.00 3.14 7.94 -1.26 -3.97 117.00 121.06 2js3 n LEU 58 Ca 0.05 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 2js3 n LEU 58 Cb 0.39 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.30 2js3 n LEU 58 CO 0.28 0.10 0.00 0.00 -1.11 0.00 0.00 177.39 176.66 2js3 n GLY 60 N 0.14 0.68 3.71 0.00 0.00 0.61 -4.71 105.19 105.62 2js3 n GLY 60 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.37 3.19 -0.21 4.61 0.00 -1.20 -4.93 121.76 120.86 2js3 s ALA 61 Ca 0.00 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.37 2js3 s ALA 61 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 2js3 s ALA 61 CO 0.00 -0.20 0.01 -1.12 0.00 0.00 0.00 175.76 174.44 2js3 s SER 62 N 0.97 4.86 -0.16 0.00 0.01 -1.26 -1.80 113.70 116.31 2js3 s SER 62 Ca 0.49 -0.20 -0.07 0.00 1.31 0.00 0.00 55.95 57.48 2js3 s SER 62 Cb -0.20 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2js3 s SER 62 CO 0.26 0.05 0.07 -0.69 0.41 0.00 0.00 173.24 173.34 2js3 s VAL 63 N 1.06 4.84 -1.60 3.43 1.01 0.22 -4.88 120.40 124.47 2js3 s VAL 63 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 61.98 62.09 2js3 s VAL 63 Cb -0.14 -3.15 0.23 0.00 0.00 0.00 0.00 36.38 33.31 2js3 s VAL 63 CO 0.02 0.50 1.21 -2.65 0.00 0.00 0.00 175.10 174.17 2js3 n PRO 64 N 3.18 0.21 0.00 2.72 -0.02 -1.26 -1.50 135.00 138.34 2js3 n PRO 64 Ca -0.17 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 2js3 n PRO 64 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 -1.20 0.00 1.20 6.00 4.27 -1.26 -4.21 117.44 122.24 2js3 n TRP 65 Ca 0.06 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.79 2js3 n TRP 65 Cb 0.07 0.00 0.38 0.00 -1.36 0.00 0.00 31.31 30.40 2js3 n TRP 65 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2js3 n LEU 66 N 0.00 1.97 -4.08 5.67 4.77 -1.26 -4.89 117.00 119.18 2js3 n LEU 66 Ca 0.00 -0.75 -0.12 0.00 -0.03 0.00 0.00 56.01 55.11 2js3 n LEU 66 Cb 0.00 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 2js3 n LEU 66 CO 0.00 0.37 -0.40 -1.58 -1.33 0.00 0.00 177.39 174.46 2js3 s GLN 67 N -1.87 0.57 0.47 3.23 -0.44 -1.26 -5.04 119.66 115.32 2js3 s GLN 67 Ca 0.35 -0.86 0.25 0.00 -2.50 0.00 0.00 55.36 52.61 2js3 s GLN 67 Cb 0.20 -0.25 1.29 0.00 -1.64 0.00 0.00 33.01 32.61 2js3 s GLN 67 CO 0.30 0.03 1.83 1.15 0.50 0.00 0.00 175.29 179.10 2js3 h THR 68 N 4.22 0.54 0.00 -0.34 2.02 -1.97 -3.38 112.91 114.01 2js3 h THR 68 Ca -0.35 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2js3 h THR 68 Cb 1.20 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2js3 h THR 68 CO 0.45 0.04 0.00 0.61 0.37 0.00 0.00 175.52 176.99 2js3 n GLY 69 N -1.61 0.98 2.61 2.16 0.00 -1.26 -4.27 105.19 103.80 2js3 n GLY 69 Ca 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.17 2js3 n GLY 69 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2js3 n ASP 70 N 0.00 -5.06 0.00 1.61 9.92 -1.26 -4.22 116.55 117.55 2js3 n ASP 70 Ca 0.00 0.18 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2js3 n ASP 70 Cb 0.00 -3.19 0.00 0.00 -0.64 0.00 0.00 41.12 37.29 2js3 n ASP 70 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2js3 n GLU 71 N -1.21 0.00 -1.79 -1.24 2.13 -1.26 -4.79 120.64 112.48 2js3 n GLU 71 Ca -0.07 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.74 2js3 n GLU 71 Cb 0.43 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.14 2js3 n GLU 71 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2js3 n ILE 72 N 0.00 -8.35 -1.66 6.31 5.41 -1.26 -4.86 119.36 114.95 2js3 n ILE 72 Ca 0.00 1.73 -0.42 0.00 1.00 0.00 0.00 62.75 65.05 2js3 n ILE 72 Cb 0.00 -4.78 -0.03 0.00 -0.71 0.00 0.00 39.64 34.12 2js3 n ILE 72 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2js3 n LYS 73 N 1.00 2.84 -2.00 0.38 4.81 -1.26 -4.93 118.16 119.00 2js3 n LYS 73 Ca -0.03 1.04 -0.31 0.00 -0.87 0.00 0.00 58.31 58.14 2js3 n LYS 73 Cb 0.05 -3.00 0.00 0.00 0.02 0.00 0.00 35.03 32.09 2js3 n LYS 73 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2js3 s HIS 74 N 4.51 3.48 0.17 5.64 3.76 -1.26 -4.96 115.29 126.62 2js3 s HIS 74 Ca 0.89 1.37 -0.32 0.00 -0.15 0.00 0.00 55.06 56.86 2js3 s HIS 74 Cb -0.44 -2.78 -0.10 0.00 1.11 0.00 0.00 32.58 30.37 2js3 s HIS 74 CO 0.42 -0.69 1.60 0.00 -0.85 0.00 0.00 174.74 175.23 2js3 s ALA 75 N -2.96 3.81 -0.72 -1.40 0.00 -1.26 -4.89 121.76 114.34 2js3 s ALA 75 Ca 0.57 1.41 0.26 0.00 0.00 0.00 0.00 51.96 54.20 2js3 s ALA 75 Cb -0.11 -3.64 0.76 0.00 0.00 0.00 0.00 23.12 20.13 2js3 s ALA 75 CO 0.46 -0.83 1.73 -0.40 0.00 0.00 0.00 175.76 176.73 2js3 n ASP 76 N 4.07 0.82 -0.29 0.00 5.75 -1.26 -3.39 116.55 122.24 2js3 n ASP 76 Ca 0.14 0.53 0.01 0.00 -0.01 0.00 0.00 54.79 55.47 2js3 n ASP 76 Cb 0.38 -0.71 0.20 0.00 -1.03 0.00 0.00 41.12 39.96 2js3 n ASP 76 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2js3 h ASP 77 N 0.00 0.97 -4.11 -1.12 5.19 -1.99 -3.44 116.42 111.91 2js3 h ASP 77 Ca 0.00 -0.01 -0.47 0.00 -0.62 0.00 0.00 57.03 55.93 2js3 h ASP 77 Cb 0.74 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 40.03 2js3 h ASP 77 CO 0.00 0.67 0.34 0.00 -3.12 0.00 0.00 179.24 177.13 2js3 n PRO 79 N -1.31 0.39 0.25 0.00 -0.04 -1.26 -2.84 135.00 130.19 2js3 n PRO 79 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 2js3 n PRO 79 Cb 0.54 -1.00 0.61 0.00 -0.04 0.00 0.00 33.50 33.60 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 1.02 -0.90 0.52 2.07 -1.91 -0.84 116.25 116.22 2js3 h VAL 80 Ca 0.00 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.46 2js3 h VAL 80 Cb 0.00 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 2js3 h VAL 80 CO 0.00 0.05 0.58 -0.37 0.02 0.00 0.00 177.57 177.85 2js3 h VAL 81 N 0.00 0.88 -0.10 2.57 -1.51 -1.81 -1.16 116.25 115.12 2js3 h VAL 81 Ca -0.00 -0.26 -0.04 0.00 -1.23 0.00 0.00 66.70 65.16 2js3 h VAL 81 Cb 0.10 0.04 -0.00 0.00 -2.13 0.00 0.00 31.29 29.30 2js3 h VAL 81 CO 0.01 0.14 -0.11 0.40 -1.23 0.00 0.00 177.57 176.77 2js3 h ILE 82 N 0.77 1.37 -0.88 7.19 1.08 -1.44 -3.19 117.51 122.42 2js3 h ILE 82 Ca 0.44 -1.31 0.10 0.00 -0.39 0.00 0.00 64.86 63.71 2js3 h ILE 82 Cb 0.61 2.01 -0.08 0.00 -3.07 0.00 0.00 36.82 36.30 2js3 h ILE 82 CO -0.20 0.37 0.52 0.00 -0.69 0.00 0.00 178.15 178.15 2js3 h ALA 83 N 0.56 1.27 0.00 1.87 0.00 -1.01 0.76 119.26 122.72 2js3 h ALA 83 Ca 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2js3 h ALA 83 Cb 0.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2js3 h ALA 83 CO 0.03 0.15 -0.36 1.57 0.00 0.00 0.00 179.25 180.63 2js3 h LYS 84 N 0.86 0.00 0.01 0.00 2.10 -1.32 -2.08 116.57 116.14 2js3 h LYS 84 Ca 0.42 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.86 2js3 h LYS 84 Cb 0.39 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2js3 h LYS 84 CO -0.25 0.36 -0.94 1.96 -2.00 0.00 0.00 179.45 178.58 2js3 h GLN 85 N 0.00 0.31 -0.74 0.07 1.08 -0.91 -2.88 115.11 112.05 2js3 h GLN 85 Ca -0.00 -0.35 -0.04 0.00 -1.45 0.00 0.00 58.65 56.80 2js3 h GLN 85 Cb 0.66 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 2js3 h GLN 85 CO 0.05 1.06 0.31 0.82 -0.95 0.00 0.00 178.83 180.11 2js3 h ILE 86 N 0.17 1.25 -0.04 2.54 2.04 -0.76 -1.81 117.51 120.90 2js3 h ILE 86 Ca -0.07 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 2js3 h ILE 86 Cb 1.59 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 2js3 h ILE 86 CO 0.16 0.31 -0.01 0.25 0.00 0.00 0.00 178.15 178.86 2js3 h LEU 87 N 1.05 0.05 -3.83 1.44 5.85 -1.33 -2.88 115.31 115.67 2js3 h LEU 87 Ca 0.25 -0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.71 2js3 h LEU 87 Cb 0.19 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.11 2js3 h LEU 87 CO -0.02 0.07 0.02 -1.20 -0.34 0.00 0.00 178.44 176.97 2js3 n SER 88 N -4.49 5.78 -4.64 1.25 7.64 -0.68 -4.93 113.62 113.55 2js3 n SER 88 Ca -0.02 -2.75 -0.42 0.00 1.01 0.00 0.00 58.87 56.69 2js3 n SER 88 Cb 0.12 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 62.04 2js3 n SER 88 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2js3 s SER 89 N 1.28 6.10 -0.41 6.43 0.01 -1.09 -3.30 113.70 122.73 2js3 s SER 89 Ca 0.45 2.37 -0.15 0.00 1.31 0.00 0.00 55.95 59.93 2js3 s SER 89 Cb 0.26 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.98 2js3 s SER 89 CO -0.06 -1.37 0.57 0.54 0.41 0.00 0.00 173.24 173.33 2js3 n ARG 90 N 7.96 -2.26 -2.57 12.44 5.12 -1.26 -4.87 116.66 131.23 2js3 n ARG 90 Ca 0.23 2.04 -0.42 0.00 -1.93 0.00 0.00 57.85 57.78 2js3 n ARG 90 Cb 0.43 -5.48 -0.02 0.00 -1.16 0.00 0.00 32.46 26.23 2js3 n ARG 90 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2js3 s PRO 91 N -2.53 3.77 1.28 5.56 0.05 -1.21 -4.88 135.00 137.04 2js3 s PRO 91 Ca 0.24 -1.52 0.00 0.00 0.05 0.00 0.00 61.00 59.77 2js3 s PRO 91 Cb -0.07 -5.44 0.00 0.00 0.05 0.00 0.00 34.50 29.04 2js3 s PRO 91 CO 0.73 -2.24 0.00 1.17 0.05 0.00 0.00 177.00 176.71 2js3 n LYS 92 N 8.67 -0.87 -0.16 4.56 4.81 -1.26 -4.16 118.16 129.74 2js3 n LYS 92 Ca 0.40 0.57 -0.09 0.00 -0.87 0.00 0.00 58.31 58.33 2js3 n LYS 92 Cb 0.49 -1.06 -0.00 0.00 0.02 0.00 0.00 35.03 34.47 2js3 n LYS 92 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2js3 h LEU 93 N 0.00 0.68 0.00 3.14 5.85 -2.04 -3.45 115.31 119.49 2js3 h LEU 93 Ca 0.01 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2js3 h LEU 93 Cb 0.39 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2js3 h LEU 93 CO 0.00 0.73 0.00 1.41 -0.34 0.00 0.00 178.44 180.24 2js3 n HIS 94 N -4.52 0.00 -4.83 1.25 8.25 -1.26 -5.16 115.22 108.95 2js3 n HIS 94 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2js3 n HIS 94 Cb 0.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 2js3 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2js3 n ALA 95 N -1.97 0.00 -1.51 -1.41 0.00 -1.26 -4.83 120.51 109.53 2js3 n ALA 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2js3 n ALA 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2js3 n ALA 95 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05