#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 1.22 -0.27 3.03 0.00 -1.26 -5.14 107.32 104.90 2js3 s GLY 2 Ca 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 2js3 s GLY 2 CO 0.00 -1.47 0.12 -0.56 0.00 0.00 0.00 173.10 171.19 2js3 s SER 3 N -3.14 3.36 0.34 1.64 0.01 -1.26 -5.10 113.70 109.54 2js3 s SER 3 Ca 0.27 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2js3 s SER 3 Cb 0.07 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.91 2js3 s SER 3 CO 0.05 -0.42 0.00 -0.24 0.41 0.00 0.00 173.24 173.04 2js3 n SER 4 N 5.21 -4.67 0.00 2.44 2.88 -1.26 -5.04 113.62 113.18 2js3 n SER 4 Ca -0.06 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 2js3 n SER 4 Cb 0.43 -2.81 0.00 0.00 -0.75 0.00 0.00 64.21 61.08 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 -3.42 0.00 -4.53 0.66 -0.00 -1.26 -5.12 115.22 101.55 2js3 n HIS 5 Ca -0.05 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.37 2js3 n HIS 5 Cb 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.26 2js3 n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2js3 s HIS 6 N -0.97 2.58 -0.43 1.57 0.09 -1.26 -5.09 115.29 111.77 2js3 s HIS 6 Ca 0.00 -0.24 -0.24 0.00 -0.00 0.00 0.00 55.06 54.58 2js3 s HIS 6 Cb 0.00 -1.44 0.02 0.00 -0.00 0.00 0.00 32.58 31.17 2js3 s HIS 6 CO 0.00 0.30 0.81 -1.01 -0.00 0.00 0.00 174.74 174.84 2js3 s HIS 7 N -1.00 3.01 -2.27 1.40 4.02 -1.26 -4.89 115.29 114.29 2js3 s HIS 7 Ca 0.16 0.29 0.25 0.00 1.02 0.00 0.00 55.06 56.79 2js3 s HIS 7 Cb -0.11 -3.66 1.13 0.00 -1.02 0.00 0.00 32.58 28.93 2js3 s HIS 7 CO 0.07 -0.95 1.77 0.72 1.02 0.00 0.00 174.74 177.38 2js3 n HIS 8 N 6.73 0.06 -0.03 1.40 8.25 -1.26 -3.94 115.22 126.43 2js3 n HIS 8 Ca 0.03 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2js3 n HIS 8 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2js3 n HIS 8 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2js3 n HIS 9 N -0.14 0.00 1.00 4.41 -0.00 -1.26 -3.70 115.22 115.53 2js3 n HIS 9 Ca 0.18 -0.68 0.11 0.00 -0.00 0.00 0.00 57.72 57.33 2js3 n HIS 9 Cb 0.26 -0.38 0.02 0.00 -0.00 0.00 0.00 29.99 29.89 2js3 n HIS 9 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2js3 n HIS 10 N 1.28 0.00 -1.53 1.57 -0.00 -1.25 -4.90 115.22 110.39 2js3 n HIS 10 Ca 0.00 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.79 2js3 n HIS 10 Cb 0.41 -0.09 -0.06 0.00 -0.12 0.00 0.00 29.99 30.12 2js3 n HIS 10 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2js3 n SER 11 N -1.49 1.89 -4.18 0.26 7.64 -1.24 -4.88 113.62 111.61 2js3 n SER 11 Ca 0.05 -0.26 -0.40 0.00 1.01 0.00 0.00 58.87 59.27 2js3 n SER 11 Cb 0.33 -1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 62.06 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 11.00 5.94 -0.44 6.43 0.01 -1.26 -4.89 113.70 130.49 2js3 s SER 12 Ca 1.08 -3.02 0.07 0.00 1.31 0.00 0.00 55.95 55.39 2js3 s SER 12 Cb -0.48 -1.99 0.27 0.00 0.21 0.00 0.00 66.02 64.04 2js3 s SER 12 CO 0.33 -0.39 0.79 0.61 0.41 0.00 0.00 173.24 174.99 2js3 n GLY 13 N 3.36 1.52 3.85 3.44 0.00 -1.26 -5.13 105.19 110.97 2js3 n GLY 13 Ca 0.13 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 2js3 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2js3 s ARG 14 N -0.40 3.91 0.46 1.61 3.00 -1.26 -5.05 118.95 121.22 2js3 s ARG 14 Ca 0.32 0.40 -0.25 0.00 0.00 0.00 0.00 55.73 56.20 2js3 s ARG 14 Cb 0.24 -2.95 -0.08 0.00 0.00 0.00 0.00 34.95 32.16 2js3 s ARG 14 CO -0.15 0.50 1.39 -1.21 0.00 0.00 0.00 175.30 175.83 2js3 s GLU 15 N -1.96 3.65 -1.07 3.54 0.41 -1.26 -4.94 118.70 117.07 2js3 s GLU 15 Ca 0.37 2.33 -0.16 0.00 -0.41 0.00 0.00 54.97 57.09 2js3 s GLU 15 Cb -0.15 -2.60 0.15 0.00 -1.78 0.00 0.00 34.13 29.75 2js3 s GLU 15 CO 0.19 -0.82 1.29 -0.80 -0.49 0.00 0.00 175.26 174.63 2js3 s ASN 16 N -0.64 6.84 0.00 -0.19 0.02 -1.26 -3.83 114.94 115.88 2js3 s ASN 16 Ca 0.62 -2.48 0.00 0.00 -1.02 0.00 0.00 52.86 49.98 2js3 s ASN 16 Cb -0.42 -2.41 0.00 0.00 0.02 0.00 0.00 41.25 38.45 2js3 s ASN 16 CO 0.53 -0.92 0.00 0.18 0.02 0.00 0.00 177.10 176.91 2js3 n LEU 17 N 6.20 0.00 0.50 0.60 7.99 -0.81 -5.03 117.00 126.44 2js3 n LEU 17 Ca 0.30 0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 56.11 2js3 n LEU 17 Cb 0.46 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.68 2js3 n LEU 17 CO 0.57 -0.06 0.54 0.22 -1.51 0.00 0.00 177.39 177.14 2js3 h TYR 18 N 0.41 -1.18 -0.72 -1.77 3.20 -1.93 -3.09 116.97 111.89 2js3 h TYR 18 Ca 0.00 -0.03 -0.72 0.00 3.14 0.00 0.00 58.73 61.12 2js3 h TYR 18 Cb 0.00 0.39 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 2js3 h TYR 18 CO 0.00 -0.73 2.88 1.19 -1.64 0.00 0.00 178.16 179.86 2js3 n PHE 19 N -5.40 2.68 0.00 -3.82 3.72 -1.26 -4.93 117.46 108.45 2js3 n PHE 19 Ca -0.16 -2.92 0.00 0.00 -0.05 0.00 0.00 57.45 54.33 2js3 n PHE 19 Cb 0.50 -2.13 0.00 0.00 -0.94 0.00 0.00 39.48 36.91 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 3.06 0.00 -1.75 -1.08 7.27 -1.17 -2.49 117.38 121.22 2js3 n GLN 20 Ca 0.63 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 57.34 2js3 n GLN 20 Cb 0.27 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.90 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 4.81 3.56 1.69 0.00 -1.26 -1.93 105.19 112.06 2js3 n GLY 21 Ca 0.00 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 2js3 n GLY 21 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2js3 s MET 22 N -0.64 3.07 0.00 1.61 1.75 -1.04 -1.18 119.30 122.87 2js3 s MET 22 Ca 0.58 -0.44 0.00 0.00 -1.25 0.00 0.00 55.69 54.58 2js3 s MET 22 Cb 0.23 -4.89 0.00 0.00 2.84 0.00 0.00 34.83 33.01 2js3 s MET 22 CO -0.11 -2.60 0.00 -2.37 -0.65 0.00 0.00 175.02 169.29 2js3 n THR 23 N 7.11 0.00 0.00 10.11 5.66 -1.26 -4.76 114.28 131.14 2js3 n THR 23 Ca 0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 2js3 n THR 23 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 2js3 n THR 23 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2js3 n ASP 24 N -1.11 0.00 0.16 1.09 5.75 -1.21 -4.84 116.55 116.39 2js3 n ASP 24 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.91 2js3 n ASP 24 Cb 0.00 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 40.58 2js3 n ASP 24 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 2js3 h THR 25 N 0.00 0.00 -0.87 2.12 2.02 -1.79 -3.05 112.91 111.34 2js3 h THR 25 Ca 0.00 -0.39 0.16 0.00 0.77 0.00 0.00 66.41 66.94 2js3 h THR 25 Cb 0.00 1.26 -0.10 0.00 -1.74 0.00 0.00 68.15 67.57 2js3 h THR 25 CO 0.00 0.00 0.45 0.00 0.37 0.00 0.00 175.52 176.34 2js3 h ALA 26 N 2.24 1.33 0.00 6.16 0.00 -1.36 0.25 119.26 127.89 2js3 h ALA 26 Ca 0.00 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2js3 h ALA 26 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2js3 h ALA 26 CO 0.00 -0.11 -0.76 0.00 0.00 0.00 0.00 179.25 178.38 2js3 h ALA 27 N 1.58 0.72 0.31 0.00 0.00 -1.85 -3.21 119.26 116.81 2js3 h ALA 27 Ca 0.48 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2js3 h ALA 27 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2js3 h ALA 27 CO -0.38 0.95 -0.15 0.93 0.00 0.00 0.00 179.25 180.59 2js3 h GLU 28 N 0.00 -0.40 -0.64 0.00 4.39 -0.96 -2.47 114.58 114.49 2js3 h GLU 28 Ca -0.01 0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.76 2js3 h GLU 28 Cb 1.36 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 30.06 2js3 h GLU 28 CO 0.10 -0.07 0.38 -0.44 -1.16 0.00 0.00 179.01 177.82 2js3 h ASP 29 N -0.85 0.60 -0.24 1.42 3.32 -0.73 0.50 116.42 120.43 2js3 h ASP 29 Ca -0.04 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 2js3 h ASP 29 Cb 0.52 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2js3 h ASP 29 CO 0.07 0.41 -0.28 0.58 -1.72 0.00 0.00 179.24 178.30 2js3 h VAL 30 N 0.73 1.28 -0.18 -1.35 2.07 -1.66 -2.81 116.25 114.34 2js3 h VAL 30 Ca 0.27 -1.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.30 2js3 h VAL 30 Cb 0.08 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2js3 h VAL 30 CO -0.13 0.46 -0.28 -0.09 0.02 0.00 0.00 177.57 177.55 2js3 h ARG 31 N 0.63 0.33 -0.24 1.57 2.43 -0.78 -1.14 114.38 117.19 2js3 h ARG 31 Ca 0.08 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2js3 h ARG 31 Cb 0.79 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 2js3 h ARG 31 CO 0.07 0.59 0.06 0.87 -1.51 0.00 0.00 179.97 180.05 2js3 h LYS 32 N 0.30 0.16 0.22 0.20 1.57 -0.69 0.83 116.57 119.15 2js3 h LYS 32 Ca 0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2js3 h LYS 32 Cb 0.65 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2js3 h LYS 32 CO 0.05 0.11 -0.10 0.82 -0.57 0.00 0.00 179.45 179.75 2js3 h ILE 33 N 0.16 0.79 -0.89 1.86 2.04 -1.28 -1.96 117.51 118.23 2js3 h ILE 33 Ca 0.11 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.03 2js3 h ILE 33 Cb 0.09 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2js3 h ILE 33 CO -0.13 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.58 2js3 h ALA 34 N 0.50 1.24 -0.26 1.87 0.00 -0.97 0.95 119.26 122.59 2js3 h ALA 34 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2js3 h ALA 34 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2js3 h ALA 34 CO 0.05 0.30 0.04 1.15 0.00 0.00 0.00 179.25 180.79 2js3 h THR 35 N 1.01 1.23 -0.26 0.00 2.02 -0.69 -2.68 112.91 113.54 2js3 h THR 35 Ca 0.39 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 2js3 h THR 35 Cb 0.19 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2js3 h THR 35 CO -0.18 0.25 -0.09 0.00 0.37 0.00 0.00 175.52 175.87 2js3 h ALA 36 N 0.85 0.36 0.00 6.16 0.00 -0.79 -2.39 119.26 123.45 2js3 h ALA 36 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2js3 h ALA 36 Cb 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2js3 h ALA 36 CO 0.01 0.20 -0.11 1.37 0.00 0.00 0.00 179.25 180.71 2js3 h LEU 37 N 0.26 0.00 0.00 0.00 8.10 -0.84 -2.28 115.31 120.55 2js3 h LEU 37 Ca 0.06 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.05 2js3 h LEU 37 Cb 0.58 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.80 2js3 h LEU 37 CO 0.03 0.11 -0.01 0.25 -4.11 0.00 0.00 178.44 174.71 2js3 h LEU 38 N 0.00 0.00 -1.42 0.17 6.46 -1.35 -3.31 115.31 115.85 2js3 h LEU 38 Ca -0.00 -0.30 0.01 0.00 -0.12 0.00 0.00 57.88 57.46 2js3 h LEU 38 Cb 0.35 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.25 2js3 h LEU 38 CO 0.01 0.66 0.39 0.11 -0.62 0.00 0.00 178.44 178.99 2js3 h LYS 39 N -1.00 0.78 -0.56 1.25 1.57 -1.26 -2.85 116.57 114.49 2js3 h LYS 39 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2js3 h LYS 39 Cb 0.31 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2js3 h LYS 39 CO -0.00 0.52 0.00 0.25 -0.57 0.00 0.00 179.45 179.64 2js3 n THR 40 N -4.45 1.36 -2.36 -0.16 -2.24 -0.87 -4.32 114.28 101.23 2js3 n THR 40 Ca 0.06 -1.13 -0.06 0.00 -2.27 0.00 0.00 64.05 60.64 2js3 n THR 40 Cb 0.04 0.33 0.06 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.99 3.47 -3.38 6.98 0.00 -1.08 -5.02 120.51 122.47 2js3 n ALA 41 Ca 0.21 -3.09 -0.34 0.00 0.00 0.00 0.00 53.44 50.21 2js3 n ALA 41 Cb 0.67 -0.61 -0.14 0.00 0.00 0.00 0.00 19.45 19.37 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 -3.39 3.25 -0.18 0.00 1.01 -1.25 -2.59 121.20 118.04 2js3 s ILE 42 Ca 0.37 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.41 2js3 s ILE 42 Cb 0.37 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 2js3 s ILE 42 CO -0.04 0.46 0.02 -1.83 0.00 0.00 0.00 174.94 173.56 2js3 s GLU 43 N 1.06 3.80 -0.41 2.79 1.03 -1.12 -4.98 118.70 120.87 2js3 s GLU 43 Ca 0.00 -0.44 -0.27 0.00 0.03 0.00 0.00 54.97 54.30 2js3 s GLU 43 Cb -0.15 -3.10 0.02 0.00 -0.80 0.00 0.00 34.13 30.10 2js3 s GLU 43 CO -0.01 0.19 1.00 0.96 -1.33 0.00 0.00 175.26 176.08 2js3 s ILE 44 N 0.54 4.45 -0.16 1.83 -4.36 -1.26 -3.37 121.20 118.88 2js3 s ILE 44 Ca 0.00 1.18 -0.18 0.00 -0.26 0.00 0.00 60.65 61.39 2js3 s ILE 44 Cb -0.13 -4.44 -0.04 0.00 1.25 0.00 0.00 42.46 39.10 2js3 s ILE 44 CO 0.02 -0.72 0.47 0.68 0.24 0.00 0.00 174.94 175.63 2js3 s VAL 45 N 3.81 5.17 -0.25 8.37 -7.23 -0.56 -4.89 120.40 124.83 2js3 s VAL 45 Ca 0.41 0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 61.37 2js3 s VAL 45 Cb -0.10 -3.80 -0.05 0.00 0.56 0.00 0.00 36.38 32.99 2js3 s VAL 45 CO 0.23 0.28 0.21 -0.55 -0.31 0.00 0.00 175.10 174.96 2js3 s SER 46 N 0.83 6.15 -0.13 4.85 0.15 -1.26 -0.64 113.70 123.64 2js3 s SER 46 Ca 0.24 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 57.01 2js3 s SER 46 Cb -0.15 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2js3 s SER 46 CO 0.09 0.00 -0.04 -1.61 1.20 0.00 0.00 173.24 172.89 2js3 s GLU 47 N 1.33 3.44 0.30 5.44 0.41 0.34 -4.96 118.70 125.00 2js3 s GLU 47 Ca 0.09 -0.50 0.19 0.00 -0.41 0.00 0.00 54.97 54.34 2js3 s GLU 47 Cb -0.14 -2.85 0.13 0.00 -1.78 0.00 0.00 34.13 29.49 2js3 s GLU 47 CO 0.07 0.37 1.39 0.93 -0.49 0.00 0.00 175.26 177.53 2js3 h GLU 48 N 6.26 0.00 -0.11 1.61 5.08 -1.98 -2.68 114.58 122.76 2js3 h GLU 48 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2js3 h GLU 48 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2js3 h GLU 48 CO 0.60 0.24 0.00 -0.40 -1.00 0.00 0.00 179.01 178.45 2js3 n ASP 49 N -3.08 1.98 0.00 1.42 5.75 -1.26 -4.87 116.55 116.49 2js3 n ASP 49 Ca 0.01 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 2js3 n ASP 49 Cb 0.65 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 2js3 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2js3 n GLY 50 N 1.22 1.08 0.00 6.12 0.00 -1.16 -5.19 105.19 107.26 2js3 n GLY 50 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 2.17 3.67 -0.02 0.00 -1.02 -4.85 105.19 105.14 2js3 n GLY 51 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.00 3.54 0.03 4.61 0.00 -1.26 -0.50 121.76 127.17 2js3 s ALA 52 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 51.96 52.09 2js3 s ALA 52 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 2js3 s ALA 52 CO 0.00 -0.71 -0.24 -1.01 0.00 0.00 0.00 175.76 173.80 2js3 s HIS 53 N 2.29 2.14 -0.45 0.00 3.76 0.19 -4.38 115.29 118.84 2js3 s HIS 53 Ca 0.39 -0.40 -0.19 0.00 -0.15 0.00 0.00 55.06 54.71 2js3 s HIS 53 Cb -0.16 -1.30 0.03 0.00 1.11 0.00 0.00 32.58 32.25 2js3 s HIS 53 CO 0.12 0.07 0.54 1.21 -0.85 0.00 0.00 174.74 175.83 2js3 s ASN 54 N -1.04 6.24 -0.06 1.40 3.84 -1.11 -1.50 114.94 122.70 2js3 s ASN 54 Ca 0.10 -0.64 0.01 0.00 0.21 0.00 0.00 52.86 52.54 2js3 s ASN 54 Cb -0.09 -2.27 0.02 0.00 -0.55 0.00 0.00 41.25 38.36 2js3 s ASN 54 CO 0.01 -0.72 -0.08 -1.58 -2.79 0.00 0.00 177.10 171.94 2js3 s GLN 55 N 2.45 1.33 0.56 0.43 0.74 -1.22 -1.45 119.66 122.50 2js3 s GLN 55 Ca 0.16 -0.26 -0.17 0.00 0.05 0.00 0.00 55.36 55.13 2js3 s GLN 55 Cb -0.17 -1.21 -0.05 0.00 1.10 0.00 0.00 33.01 32.68 2js3 s GLN 55 CO 0.15 -0.06 1.07 0.00 -0.55 0.00 0.00 175.29 175.90 2js3 n LYS 57 N -1.66 -0.28 -0.40 0.00 2.85 -1.07 -0.33 118.16 117.27 2js3 n LYS 57 Ca 0.10 1.38 0.06 0.00 -1.05 0.00 0.00 58.31 58.79 2js3 n LYS 57 Cb 0.52 -2.04 0.23 0.00 -0.65 0.00 0.00 35.03 33.10 2js3 n LYS 57 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2js3 n LEU 58 N -5.25 3.22 -0.21 -5.58 4.32 -1.26 -4.87 117.00 107.37 2js3 n LEU 58 Ca 0.07 -1.63 -0.03 0.00 -0.02 0.00 0.00 56.01 54.40 2js3 n LEU 58 Cb 0.31 -0.46 -0.01 0.00 -1.62 0.00 0.00 43.42 41.64 2js3 n LEU 58 CO -0.13 0.55 -0.03 0.00 -1.22 0.00 0.00 177.39 176.57 2js3 n GLY 60 N 0.11 -1.25 3.32 0.00 0.00 -1.26 -4.61 105.19 101.50 2js3 n GLY 60 Ca -0.03 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.01 -1.15 -0.02 4.61 0.00 -1.26 -0.90 121.76 120.03 2js3 s ALA 61 Ca 0.10 1.56 0.01 0.00 0.00 0.00 0.00 51.96 53.63 2js3 s ALA 61 Cb 0.14 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.34 2js3 s ALA 61 CO 0.40 -0.26 -0.03 -1.12 0.00 0.00 0.00 175.76 174.74 2js3 s SER 62 N 1.15 0.60 -0.05 0.00 0.01 -1.26 -1.54 113.70 112.60 2js3 s SER 62 Ca -0.07 -0.08 -0.06 0.00 1.31 0.00 0.00 55.95 57.05 2js3 s SER 62 Cb -0.07 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.98 2js3 s SER 62 CO -0.10 -0.01 0.16 0.54 0.41 0.00 0.00 173.24 174.24 2js3 s VAL 63 N 0.42 0.02 0.47 3.43 0.11 -0.53 -4.64 120.40 119.68 2js3 s VAL 63 Ca -0.05 -0.13 -0.21 0.00 -2.93 0.00 0.00 61.98 58.66 2js3 s VAL 63 Cb -0.08 -0.28 -0.11 0.00 -1.53 0.00 0.00 36.38 34.38 2js3 s VAL 63 CO -0.00 -0.07 0.60 -2.65 -3.33 0.00 0.00 175.10 169.64 2js3 n PRO 64 N 2.69 0.65 0.00 1.54 -0.02 -1.26 -2.76 135.00 135.84 2js3 n PRO 64 Ca -0.14 0.24 0.04 0.00 -2.02 0.00 0.00 63.50 61.62 2js3 n PRO 64 Cb 0.58 -1.65 0.19 0.00 -0.02 0.00 0.00 33.50 32.61 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 -1.11 0.00 0.29 6.00 4.27 -1.26 -0.68 117.44 124.94 2js3 n TRP 65 Ca 0.11 0.00 0.18 0.00 -3.89 0.00 0.00 57.50 53.90 2js3 n TRP 65 Cb 0.42 -0.46 0.86 0.00 -1.36 0.00 0.00 31.31 30.78 2js3 n TRP 65 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 2js3 h LEU 66 N 0.00 0.00 -2.29 5.67 4.07 -1.94 -3.48 115.31 117.34 2js3 h LEU 66 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2js3 h LEU 66 Cb 0.14 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.81 2js3 h LEU 66 CO 0.00 0.04 -1.06 1.67 -1.08 0.00 0.00 178.44 178.01 2js3 n GLN 67 N -3.25 -3.22 -0.13 1.13 -0.06 0.14 -5.02 117.38 106.97 2js3 n GLN 67 Ca -0.01 2.58 -0.22 0.00 -2.00 0.00 0.00 57.00 57.35 2js3 n GLN 67 Cb 0.22 -4.16 -0.11 0.00 -4.06 0.00 0.00 30.24 22.12 2js3 n GLN 67 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2js3 n THR 68 N 1.04 1.51 0.00 1.69 5.66 -1.26 -5.01 114.28 117.90 2js3 n THR 68 Ca -0.22 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.27 2js3 n THR 68 Cb 0.34 -1.58 0.00 0.00 -1.55 0.00 0.00 70.33 67.54 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 1.91 1.64 0.23 1.09 0.00 -1.26 -4.61 105.19 104.19 2js3 n GLY 69 Ca -0.49 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 2js3 n GLY 69 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2js3 h ASP 70 N 0.00 -0.41 -2.58 1.61 3.58 -2.05 -3.39 116.42 113.18 2js3 h ASP 70 Ca 0.00 -0.15 -0.68 0.00 0.42 0.00 0.00 57.03 56.62 2js3 h ASP 70 Cb 0.00 0.11 -0.17 0.00 1.72 0.00 0.00 39.33 40.98 2js3 h ASP 70 CO 0.00 -0.02 0.64 -1.83 -2.88 0.00 0.00 179.24 175.16 2js3 s GLU 71 N -4.38 3.40 -0.00 0.28 -1.05 -1.26 -4.97 118.70 110.72 2js3 s GLU 71 Ca -0.13 -1.48 0.01 0.00 -0.15 0.00 0.00 54.97 53.22 2js3 s GLU 71 Cb 0.02 -4.63 -0.00 0.00 -0.44 0.00 0.00 34.13 29.07 2js3 s GLU 71 CO 0.49 -1.74 -0.04 0.42 0.95 0.00 0.00 175.26 175.34 2js3 s ILE 72 N 2.98 0.28 0.05 1.83 1.01 -1.26 -4.96 121.20 121.13 2js3 s ILE 72 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.76 2js3 s ILE 72 Cb -0.11 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.13 2js3 s ILE 72 CO -0.02 0.08 0.05 0.29 0.00 0.00 0.00 174.94 175.34 2js3 n LYS 73 N 3.00 -0.89 -3.75 2.79 5.02 -1.26 -5.04 118.16 118.03 2js3 n LYS 73 Ca -0.13 -0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 55.95 2js3 n LYS 73 Cb 0.59 -0.07 -0.14 0.00 -0.02 0.00 0.00 35.03 35.38 2js3 n LYS 73 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 2js3 s HIS 74 N -1.10 -0.18 -0.44 2.13 -3.43 -1.26 -4.64 115.29 106.39 2js3 s HIS 74 Ca 0.03 0.50 -0.29 0.00 -0.80 0.00 0.00 55.06 54.51 2js3 s HIS 74 Cb -0.00 -0.07 0.01 0.00 -1.43 0.00 0.00 32.58 31.09 2js3 s HIS 74 CO 0.02 -0.17 1.42 0.00 -2.00 0.00 0.00 174.74 174.02 2js3 s ALA 75 N 1.13 3.00 0.40 -1.38 0.00 -0.08 -4.89 121.76 119.92 2js3 s ALA 75 Ca -0.09 -0.24 0.12 0.00 0.00 0.00 0.00 51.96 51.76 2js3 s ALA 75 Cb -0.11 -3.97 0.82 0.00 0.00 0.00 0.00 23.12 19.86 2js3 s ALA 75 CO -0.06 -2.50 1.90 0.22 0.00 0.00 0.00 175.76 175.32 2js3 h ASP 76 N 10.84 0.06 1.50 0.00 3.58 -1.97 -1.79 116.42 128.63 2js3 h ASP 76 Ca -0.27 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.09 2js3 h ASP 76 Cb 1.10 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2js3 h ASP 76 CO 1.10 0.32 -0.33 -0.78 -2.88 0.00 0.00 179.24 176.67 2js3 h ASP 77 N 0.06 0.00 -3.56 2.28 3.58 -2.00 -3.46 116.42 113.32 2js3 h ASP 77 Ca 0.01 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.94 2js3 h ASP 77 Cb 0.49 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2js3 h ASP 77 CO 0.03 0.33 0.20 0.00 -2.88 0.00 0.00 179.24 176.92 2js3 n PRO 79 N 1.48 0.18 0.21 0.00 -0.02 -1.26 -2.34 135.00 133.23 2js3 n PRO 79 Ca -0.05 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.48 2js3 n PRO 79 Cb 0.49 -1.46 0.47 0.00 -0.02 0.00 0.00 33.50 32.98 2js3 n PRO 79 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2js3 h VAL 80 N 0.00 1.15 -0.37 -1.45 2.07 -1.91 -2.99 116.25 112.75 2js3 h VAL 80 Ca 0.00 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 66.83 2js3 h VAL 80 Cb 0.00 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2js3 h VAL 80 CO 0.00 0.21 0.15 -0.37 0.02 0.00 0.00 177.57 177.58 2js3 h VAL 81 N 0.02 0.93 -0.15 2.57 -1.51 -1.69 -0.47 116.25 115.95 2js3 h VAL 81 Ca 0.00 -0.11 -0.18 0.00 -1.23 0.00 0.00 66.70 65.18 2js3 h VAL 81 Cb 0.37 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 30.11 2js3 h VAL 81 CO 0.03 0.06 -0.65 -0.29 -1.23 0.00 0.00 177.57 175.49 2js3 h ILE 82 N 0.32 1.33 -0.41 7.19 6.09 -1.79 -2.02 117.51 128.22 2js3 h ILE 82 Ca 0.16 -1.93 0.04 0.00 -1.37 0.00 0.00 64.86 61.76 2js3 h ILE 82 Cb 0.11 1.91 -0.04 0.00 0.47 0.00 0.00 36.82 39.27 2js3 h ILE 82 CO -0.15 0.60 0.17 0.00 -3.07 0.00 0.00 178.15 175.71 2js3 h ALA 83 N 0.86 0.49 -0.51 0.18 0.00 -1.34 -0.34 119.26 118.61 2js3 h ALA 83 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2js3 h ALA 83 Cb 1.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2js3 h ALA 83 CO 0.12 -0.20 0.33 0.87 0.00 0.00 0.00 179.25 180.37 2js3 h LYS 84 N 0.36 0.67 -0.81 0.00 1.57 -0.95 -1.20 116.57 116.21 2js3 h LYS 84 Ca 0.18 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2js3 h LYS 84 Cb 0.13 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 2js3 h LYS 84 CO -0.16 0.45 0.53 1.96 -0.57 0.00 0.00 179.45 181.66 2js3 h GLN 85 N 0.69 0.89 0.01 3.15 4.20 -0.67 -0.48 115.11 122.90 2js3 h GLN 85 Ca 0.19 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2js3 h GLN 85 Cb -0.07 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.51 2js3 h GLN 85 CO -0.04 0.59 -0.01 0.82 -0.67 0.00 0.00 178.83 179.53 2js3 h ILE 86 N 0.92 1.48 0.00 2.54 2.04 -0.59 -2.17 117.51 121.74 2js3 h ILE 86 Ca 0.34 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2js3 h ILE 86 Cb 0.16 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2js3 h ILE 86 CO -0.11 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.44 2js3 n LEU 87 N -4.77 0.57 -0.07 1.44 -0.00 -0.50 -3.76 117.00 109.91 2js3 n LEU 87 Ca -0.09 0.58 -0.05 0.00 -0.00 0.00 0.00 56.01 56.45 2js3 n LEU 87 Cb 0.34 -0.43 -0.02 0.00 -0.00 0.00 0.00 43.42 43.31 2js3 n LEU 87 CO 0.33 -0.24 -0.38 -0.24 -0.00 0.00 0.00 177.39 176.86 2js3 n SER 88 N -2.06 1.70 -2.37 1.45 2.88 -0.20 -4.96 113.62 110.06 2js3 n SER 88 Ca 0.05 0.56 -0.11 0.00 -1.33 0.00 0.00 58.87 58.03 2js3 n SER 88 Cb 0.35 -0.82 -0.01 0.00 -0.75 0.00 0.00 64.21 62.98 2js3 n SER 88 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2js3 n SER 89 N -4.42 -3.53 -4.00 -3.46 3.41 -0.82 -4.95 113.62 95.86 2js3 n SER 89 Ca -0.08 0.23 -0.21 0.00 -0.26 0.00 0.00 58.87 58.56 2js3 n SER 89 Cb 0.29 -3.04 -0.16 0.00 -0.26 0.00 0.00 64.21 61.04 2js3 n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2js3 s ARG 90 N -4.87 1.06 -0.55 4.33 3.52 -1.26 -5.08 118.95 116.09 2js3 s ARG 90 Ca 0.00 -0.30 -0.27 0.00 -0.13 0.00 0.00 55.73 55.03 2js3 s ARG 90 Cb 0.00 -0.97 -0.09 0.00 -1.56 0.00 0.00 34.95 32.33 2js3 s ARG 90 CO 0.00 0.09 2.45 -0.35 -0.81 0.00 0.00 175.30 176.67 2js3 n PRO 91 N 3.43 0.93 -3.60 5.12 -0.04 -1.26 -4.89 135.00 134.69 2js3 n PRO 91 Ca -0.20 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.13 2js3 n PRO 91 Cb 0.53 -3.14 -0.07 0.00 -0.04 0.00 0.00 33.50 30.78 2js3 n PRO 91 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2js3 s LYS 92 N 8.27 0.90 -0.03 0.54 2.20 -1.26 -5.10 119.74 125.25 2js3 s LYS 92 Ca 1.04 0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 57.01 2js3 s LYS 92 Cb -0.35 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.40 2js3 s LYS 92 CO 0.30 -0.23 0.06 -0.11 -0.36 0.00 0.00 175.35 175.01 2js3 n LEU 93 N 1.55 -5.10 0.01 5.43 7.94 -1.26 -4.96 117.00 120.60 2js3 n LEU 93 Ca -0.18 1.86 -0.13 0.00 -1.11 0.00 0.00 56.01 56.45 2js3 n LEU 93 Cb 0.56 -2.57 -0.14 0.00 0.53 0.00 0.00 43.42 41.81 2js3 n LEU 93 CO 0.18 -2.29 -0.45 1.12 -1.11 0.00 0.00 177.39 174.84 2js3 h HIS 94 N 2.91 0.20 -5.99 1.96 2.07 -2.02 -3.49 115.15 110.78 2js3 h HIS 94 Ca -0.13 -0.15 -0.13 0.00 -2.85 0.00 0.00 60.37 57.11 2js3 h HIS 94 Cb 0.30 -0.01 0.01 0.00 2.57 0.00 0.00 27.41 30.28 2js3 h HIS 94 CO 0.00 1.24 -0.97 0.00 -3.07 0.00 0.00 177.93 175.12 2js3 n ALA 95 N -2.64 -2.57 1.44 6.11 0.00 -1.26 -5.27 120.51 116.32 2js3 n ALA 95 Ca -0.18 0.44 0.14 0.00 0.00 0.00 0.00 53.44 53.84 2js3 n ALA 95 Cb 1.04 -1.84 0.47 0.00 0.00 0.00 0.00 19.45 19.12 2js3 n ALA 95 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83