#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 1.56 2.98 -5.12 0.00 -1.26 -5.13 105.19 98.22 2js3 n GLY 2 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 2js3 n GLY 2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2js3 s SER 3 N 0.00 -0.07 -0.45 1.61 0.01 -1.26 -5.11 113.70 108.43 2js3 s SER 3 Ca 0.00 0.39 -0.27 0.00 1.31 0.00 0.00 55.95 57.38 2js3 s SER 3 Cb 0.00 1.32 -0.03 0.00 0.21 0.00 0.00 66.02 67.52 2js3 s SER 3 CO 0.00 -0.29 1.97 -0.94 0.41 0.00 0.00 173.24 174.39 2js3 s SER 4 N 2.60 5.37 -0.20 2.44 1.04 -1.26 -4.95 113.70 118.74 2js3 s SER 4 Ca 0.13 0.97 -0.08 0.00 0.48 0.00 0.00 55.95 57.45 2js3 s SER 4 Cb -0.15 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 2js3 s SER 4 CO -0.16 -2.18 0.09 -2.28 0.98 0.00 0.00 173.24 169.69 2js3 s HIS 5 N 8.74 3.26 0.49 5.02 2.46 -1.26 -5.09 115.29 128.92 2js3 s HIS 5 Ca 0.80 0.08 0.02 0.00 0.47 0.00 0.00 55.06 56.43 2js3 s HIS 5 Cb -0.19 -2.15 -0.01 0.00 -0.13 0.00 0.00 32.58 30.11 2js3 s HIS 5 CO 0.28 0.10 0.05 -1.01 -2.47 0.00 0.00 174.74 171.68 2js3 s HIS 6 N 0.65 1.77 0.44 3.88 3.76 -1.26 -5.14 115.29 119.39 2js3 s HIS 6 Ca 0.05 -1.12 -0.16 0.00 -0.15 0.00 0.00 55.06 53.69 2js3 s HIS 6 Cb -0.13 -1.44 -0.08 0.00 1.11 0.00 0.00 32.58 32.04 2js3 s HIS 6 CO 0.01 0.01 0.89 -1.01 -0.85 0.00 0.00 174.74 173.79 2js3 s HIS 7 N -2.99 3.42 -0.61 1.40 0.09 -1.26 -5.02 115.29 110.32 2js3 s HIS 7 Ca 0.08 1.35 0.05 0.00 -0.00 0.00 0.00 55.06 56.54 2js3 s HIS 7 Cb 0.01 -2.67 0.20 0.00 -0.00 0.00 0.00 32.58 30.11 2js3 s HIS 7 CO 0.06 -0.19 0.53 1.58 -0.00 0.00 0.00 174.74 176.72 2js3 n HIS 8 N -1.16 2.21 -3.94 1.40 -0.00 -1.26 -5.03 115.22 107.44 2js3 n HIS 8 Ca 0.05 -4.01 -0.31 0.00 -0.00 0.00 0.00 57.72 53.45 2js3 n HIS 8 Cb 0.54 -0.41 -0.15 0.00 -0.00 0.00 0.00 29.99 29.97 2js3 n HIS 8 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2js3 s HIS 9 N -1.39 3.22 -0.22 1.57 2.46 -1.26 -4.96 115.29 114.71 2js3 s HIS 9 Ca 0.31 -2.78 -0.11 0.00 0.47 0.00 0.00 55.06 52.95 2js3 s HIS 9 Cb 0.04 -2.64 -0.09 0.00 -0.13 0.00 0.00 32.58 29.75 2js3 s HIS 9 CO -0.13 -0.90 -0.28 1.58 -2.47 0.00 0.00 174.74 172.54 2js3 n HIS 10 N 4.13 0.00 -3.79 3.88 -0.00 -1.26 -5.06 115.22 113.13 2js3 n HIS 10 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.63 2js3 n HIS 10 Cb 0.40 -0.78 -0.09 0.00 -0.00 0.00 0.00 29.99 29.52 2js3 n HIS 10 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2js3 s SER 11 N -6.95 -0.15 -0.26 0.26 1.04 -1.26 -5.13 113.70 101.25 2js3 s SER 11 Ca -0.30 0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 2js3 s SER 11 Cb 0.12 0.32 0.09 0.00 0.10 0.00 0.00 66.02 66.64 2js3 s SER 11 CO 0.38 -0.39 0.11 -0.94 0.98 0.00 0.00 173.24 173.38 2js3 s SER 12 N -1.18 3.24 0.00 7.02 1.04 -1.26 -5.10 113.70 117.46 2js3 s SER 12 Ca -0.12 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.19 2js3 s SER 12 Cb -0.05 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.68 2js3 s SER 12 CO 0.03 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2js3 n GLY 13 N 5.21 3.23 0.00 7.32 0.00 -1.26 -5.04 105.19 114.66 2js3 n GLY 13 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2js3 n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2js3 n ARG 14 N 0.00 0.77 -1.91 1.61 0.00 -1.26 -5.09 116.66 110.79 2js3 n ARG 14 Ca 0.00 -0.71 -0.30 0.00 -0.00 0.00 0.00 57.85 56.84 2js3 n ARG 14 Cb 0.00 -0.69 0.06 0.00 -0.00 0.00 0.00 32.46 31.83 2js3 n ARG 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 2js3 s GLU 15 N -0.29 2.62 0.15 2.89 1.03 -1.26 -4.93 118.70 118.92 2js3 s GLU 15 Ca 0.00 0.34 0.00 0.00 0.03 0.00 0.00 54.97 55.34 2js3 s GLU 15 Cb 0.00 -2.01 0.00 0.00 -0.80 0.00 0.00 34.13 31.32 2js3 s GLU 15 CO 0.00 -1.17 0.00 -1.71 -1.33 0.00 0.00 175.26 171.05 2js3 n ASN 16 N -3.07 -2.24 -2.28 0.83 5.15 -1.26 -5.06 115.26 107.33 2js3 n ASN 16 Ca 0.07 0.48 -0.02 0.00 -0.60 0.00 0.00 54.58 54.51 2js3 n ASN 16 Cb 0.58 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 -1.75 0.00 -4.19 1.20 4.32 -0.87 -5.06 117.00 110.64 2js3 n LEU 17 Ca 0.00 -0.25 -0.41 0.00 -0.02 0.00 0.00 56.01 55.34 2js3 n LEU 17 Cb 0.12 -0.03 -0.07 0.00 -1.62 0.00 0.00 43.42 41.82 2js3 n LEU 17 CO 0.00 -0.45 0.15 -0.47 -1.22 0.00 0.00 177.39 175.40 2js3 s TYR 18 N 0.39 3.53 0.00 -1.77 5.04 -1.25 -4.68 117.35 118.60 2js3 s TYR 18 Ca 0.05 -2.33 0.00 0.00 -2.44 0.00 0.00 57.07 52.35 2js3 s TYR 18 Cb -0.00 -3.45 0.00 0.00 0.35 0.00 0.00 41.96 38.85 2js3 s TYR 18 CO 0.03 -0.92 0.00 1.19 -1.34 0.00 0.00 175.55 174.51 2js3 n PHE 19 N 3.92 0.00 -0.13 4.97 3.72 -1.26 -4.43 117.46 124.26 2js3 n PHE 19 Ca 0.07 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.53 2js3 n PHE 19 Cb 0.41 0.00 0.38 0.00 -0.94 0.00 0.00 39.48 39.34 2js3 n PHE 19 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2js3 h GLN 20 N 0.00 0.66 -3.97 -1.08 4.15 -2.03 -3.38 115.11 109.45 2js3 h GLN 20 Ca 0.00 -0.04 -0.45 0.00 0.77 0.00 0.00 58.65 58.93 2js3 h GLN 20 Cb 0.00 -0.15 -0.36 0.00 0.21 0.00 0.00 27.48 27.18 2js3 h GLN 20 CO 0.00 0.43 -0.78 0.20 -1.93 0.00 0.00 178.83 176.75 2js3 s GLY 21 N -3.62 0.56 0.34 2.39 0.00 -1.26 -5.07 107.32 100.66 2js3 s GLY 21 Ca -0.09 -0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.46 2js3 s GLY 21 CO 0.76 0.77 0.14 1.06 0.00 0.00 0.00 173.10 175.82 2js3 s MET 22 N 1.47 1.69 0.41 2.90 -1.94 -1.26 -2.05 119.30 120.52 2js3 s MET 22 Ca -0.02 -1.98 0.01 0.00 -1.71 0.00 0.00 55.69 51.99 2js3 s MET 22 Cb -0.13 -0.33 -0.00 0.00 2.01 0.00 0.00 34.83 36.37 2js3 s MET 22 CO -0.03 -0.43 0.03 -2.37 -0.01 0.00 0.00 175.02 172.21 2js3 n THR 23 N -0.69 0.00 0.00 2.05 5.66 -1.26 -4.96 114.28 115.08 2js3 n THR 23 Ca -0.01 -2.01 -0.07 0.00 -3.05 0.00 0.00 64.05 58.91 2js3 n THR 23 Cb 0.65 0.48 0.10 0.00 -1.55 0.00 0.00 70.33 70.01 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 1.10 0.58 -0.28 1.09 3.58 -2.03 -2.88 116.42 117.58 2js3 h ASP 24 Ca -0.33 -0.27 0.08 0.00 0.42 0.00 0.00 57.03 56.93 2js3 h ASP 24 Cb 1.06 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 2js3 h ASP 24 CO 0.55 0.94 0.23 0.74 -2.88 0.00 0.00 179.24 178.81 2js3 h THR 25 N 0.44 0.71 0.00 2.25 2.02 -2.03 -1.03 112.91 115.27 2js3 h THR 25 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2js3 h THR 25 Cb 0.94 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2js3 h THR 25 CO 0.08 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.94 2js3 h ALA 26 N 1.81 1.56 0.00 6.16 0.00 -1.92 -0.81 119.26 126.06 2js3 h ALA 26 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2js3 h ALA 26 Cb 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2js3 h ALA 26 CO -0.00 0.04 -0.16 0.00 0.00 0.00 0.00 179.25 179.12 2js3 h ALA 27 N 1.97 1.58 -0.01 0.00 0.00 -1.36 -2.62 119.26 118.82 2js3 h ALA 27 Ca -0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2js3 h ALA 27 Cb 0.07 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2js3 h ALA 27 CO 0.00 0.21 -0.36 1.49 0.00 0.00 0.00 179.25 180.59 2js3 h GLU 28 N 0.00 0.25 0.19 0.00 4.81 -1.31 -2.94 114.58 115.59 2js3 h GLU 28 Ca -0.00 -0.27 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2js3 h GLU 28 Cb 0.32 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 2js3 h GLU 28 CO 0.02 0.98 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.58 2js3 h ASP 29 N -0.36 -0.71 -0.53 1.04 5.19 -1.47 0.16 116.42 119.74 2js3 h ASP 29 Ca -0.04 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 2js3 h ASP 29 Cb 1.10 0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.84 2js3 h ASP 29 CO 0.07 -0.36 0.10 0.58 -3.12 0.00 0.00 179.24 176.51 2js3 h VAL 30 N -0.51 1.24 -0.33 -1.35 2.07 -1.62 -0.80 116.25 114.96 2js3 h VAL 30 Ca 0.01 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 2js3 h VAL 30 Cb 0.50 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2js3 h VAL 30 CO -0.10 0.34 -0.09 -0.09 0.02 0.00 0.00 177.57 177.66 2js3 h ARG 31 N 0.88 0.64 -0.56 1.57 2.43 -1.28 0.73 114.38 118.79 2js3 h ARG 31 Ca 0.18 -0.25 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 2js3 h ARG 31 Cb 0.37 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2js3 h ARG 31 CO 0.01 0.82 0.19 0.87 -1.51 0.00 0.00 179.97 180.35 2js3 h LYS 32 N 0.43 0.86 0.09 0.20 1.57 -0.37 -1.81 116.57 117.53 2js3 h LYS 32 Ca 0.08 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2js3 h LYS 32 Cb 0.59 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2js3 h LYS 32 CO 0.03 0.77 -0.04 0.82 -0.57 0.00 0.00 179.45 180.47 2js3 h ILE 33 N 0.78 1.11 -0.68 1.86 2.04 -1.07 -2.97 117.51 118.58 2js3 h ILE 33 Ca 0.18 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.33 2js3 h ILE 33 Cb 0.26 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 2js3 h ILE 33 CO -0.01 0.19 0.45 0.00 0.00 0.00 0.00 178.15 178.78 2js3 h ALA 34 N 0.38 1.74 -0.04 1.87 0.00 -0.77 -0.71 119.26 121.73 2js3 h ALA 34 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 2js3 h ALA 34 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2js3 h ALA 34 CO 0.02 0.16 -0.65 1.15 0.00 0.00 0.00 179.25 179.93 2js3 h THR 35 N 0.70 1.42 -0.08 0.00 2.02 -1.35 -2.81 112.91 112.81 2js3 h THR 35 Ca 0.29 -2.12 -0.12 0.00 0.77 0.00 0.00 66.41 65.23 2js3 h THR 35 Cb 0.25 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2js3 h THR 35 CO -0.09 0.62 -0.49 0.00 0.37 0.00 0.00 175.52 175.92 2js3 h ALA 36 N 1.23 1.01 -0.91 6.16 0.00 -0.99 -2.94 119.26 122.81 2js3 h ALA 36 Ca -0.01 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2js3 h ALA 36 Cb 1.16 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2js3 h ALA 36 CO 0.09 0.65 0.57 -0.07 0.00 0.00 0.00 179.25 180.49 2js3 h LEU 37 N 0.18 1.08 -1.34 0.00 3.38 -1.09 -2.37 115.31 115.15 2js3 h LEU 37 Ca 0.01 -0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.03 2js3 h LEU 37 Cb 0.94 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2js3 h LEU 37 CO 0.08 0.82 0.53 -0.07 0.09 0.00 0.00 178.44 179.88 2js3 h LEU 38 N 1.25 0.65 0.00 1.67 3.38 -1.42 0.38 115.31 121.22 2js3 h LEU 38 Ca 0.33 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2js3 h LEU 38 Cb -0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2js3 h LEU 38 CO -0.06 0.38 -0.89 0.29 0.09 0.00 0.00 178.44 178.24 2js3 n LYS 39 N -4.51 0.34 -0.02 1.13 5.02 -0.94 -3.38 118.16 115.81 2js3 n LYS 39 Ca 0.14 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.52 2js3 n LYS 39 Cb 0.35 -1.66 -0.12 0.00 -0.02 0.00 0.00 35.03 33.58 2js3 n LYS 39 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2js3 n THR 40 N -2.13 0.24 0.13 -0.18 5.66 -0.65 -4.47 114.28 112.87 2js3 n THR 40 Ca 0.02 -0.42 0.11 0.00 -3.05 0.00 0.00 64.05 60.71 2js3 n THR 40 Cb 0.46 -0.04 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 2js3 n THR 40 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2js3 n ALA 41 N -2.16 2.86 -2.72 1.79 0.00 0.12 -4.77 120.51 115.62 2js3 n ALA 41 Ca -0.08 -0.42 -0.40 0.00 0.00 0.00 0.00 53.44 52.54 2js3 n ALA 41 Cb 0.55 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.42 4.82 0.24 0.00 1.01 -1.22 -4.40 121.20 118.24 2js3 s ILE 42 Ca -0.04 -0.58 0.06 0.00 0.00 0.00 0.00 60.65 60.10 2js3 s ILE 42 Cb 0.13 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2js3 s ILE 42 CO 0.86 -0.12 0.23 -1.83 0.00 0.00 0.00 174.94 174.08 2js3 s GLU 43 N 1.62 3.04 -0.19 2.79 1.03 -0.73 -4.79 118.70 121.48 2js3 s GLU 43 Ca 0.04 -0.97 -0.03 0.00 0.03 0.00 0.00 54.97 54.04 2js3 s GLU 43 Cb -0.18 -2.65 -0.01 0.00 -0.80 0.00 0.00 34.13 30.49 2js3 s GLU 43 CO 0.08 0.42 -0.06 0.96 -1.33 0.00 0.00 175.26 175.33 2js3 s ILE 44 N -2.06 3.44 -0.33 1.83 -5.25 -1.26 -0.30 121.20 117.26 2js3 s ILE 44 Ca 0.33 -0.49 -0.10 0.00 -0.99 0.00 0.00 60.65 59.39 2js3 s ILE 44 Cb -0.08 -2.53 0.00 0.00 2.95 0.00 0.00 42.46 42.80 2js3 s ILE 44 CO 0.26 0.46 0.18 0.68 -1.79 0.00 0.00 174.94 174.72 2js3 s VAL 45 N 1.00 4.68 0.20 8.37 -7.23 1.00 -4.91 120.40 123.50 2js3 s VAL 45 Ca 0.00 -0.54 -0.25 0.00 -1.81 0.00 0.00 61.98 59.39 2js3 s VAL 45 Cb -0.15 -3.46 -0.08 0.00 0.56 0.00 0.00 36.38 33.25 2js3 s VAL 45 CO 0.00 -0.04 0.79 -0.94 -0.31 0.00 0.00 175.10 174.61 2js3 s SER 46 N 1.61 7.34 0.78 4.85 1.04 -1.26 -0.17 113.70 127.89 2js3 s SER 46 Ca 0.04 1.64 -0.03 0.00 0.48 0.00 0.00 55.95 58.08 2js3 s SER 46 Cb -0.18 -2.50 0.15 0.00 0.10 0.00 0.00 66.02 63.60 2js3 s SER 46 CO 0.07 0.15 1.03 -0.62 0.98 0.00 0.00 173.24 174.84 2js3 n GLU 47 N 1.32 -0.31 0.07 4.02 1.02 0.20 -4.95 120.64 122.01 2js3 n GLU 47 Ca -0.04 -2.50 0.12 0.00 -0.02 0.00 0.00 57.16 54.72 2js3 n GLU 47 Cb 0.49 -0.77 0.04 0.00 -0.02 0.00 0.00 31.44 31.18 2js3 n GLU 47 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2js3 n GLU 48 N -2.96 0.46 0.01 3.49 2.13 -1.26 -4.68 120.64 117.82 2js3 n GLU 48 Ca 0.16 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2js3 n GLU 48 Cb 0.57 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.55 2js3 n GLU 48 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2js3 n ASP 49 N -2.36 -0.03 0.23 4.31 -0.08 -1.26 -4.95 116.55 112.42 2js3 n ASP 49 Ca 0.01 0.02 0.10 0.00 -1.51 0.00 0.00 54.79 53.41 2js3 n ASP 49 Cb 0.50 0.12 0.65 0.00 2.34 0.00 0.00 41.12 44.73 2js3 n ASP 49 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2js3 h GLY 50 N 0.00 0.00 0.00 0.27 0.00 -1.99 -3.48 103.07 97.87 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 -1.55 0.54 3.29 4.60 0.00 -1.26 -5.00 105.19 105.81 2js3 n GLY 51 Ca -0.02 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.22 -0.96 -0.03 4.61 0.00 -1.26 0.62 121.76 123.52 2js3 s ALA 52 Ca 0.00 0.81 0.07 0.00 0.00 0.00 0.00 51.96 52.84 2js3 s ALA 52 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2js3 s ALA 52 CO 0.00 -0.23 -0.23 -1.01 0.00 0.00 0.00 175.76 174.29 2js3 s HIS 53 N -0.52 2.10 -0.06 0.00 3.76 0.76 -2.05 115.29 119.27 2js3 s HIS 53 Ca -0.06 -0.45 -0.27 0.00 -0.15 0.00 0.00 55.06 54.12 2js3 s HIS 53 Cb -0.04 -1.36 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 2js3 s HIS 53 CO 0.03 -0.08 0.87 1.21 -0.85 0.00 0.00 174.74 175.92 2js3 s ASN 54 N -0.43 7.16 0.01 1.40 3.84 0.18 -0.00 114.94 127.10 2js3 s ASN 54 Ca 0.06 1.41 0.04 0.00 0.21 0.00 0.00 52.86 54.58 2js3 s ASN 54 Cb -0.10 -2.50 -0.01 0.00 -0.55 0.00 0.00 41.25 38.09 2js3 s ASN 54 CO 0.00 -0.27 -0.13 -1.58 -2.79 0.00 0.00 177.10 172.33 2js3 s GLN 55 N 1.29 1.01 -0.60 0.43 0.74 0.58 -1.35 119.66 121.76 2js3 s GLN 55 Ca 0.45 -0.57 0.01 0.00 0.05 0.00 0.00 55.36 55.29 2js3 s GLN 55 Cb -0.19 -0.99 0.15 0.00 1.10 0.00 0.00 33.01 33.08 2js3 s GLN 55 CO 0.21 0.26 0.38 0.00 -0.55 0.00 0.00 175.29 175.59 2js3 h LYS 57 N 6.58 0.00 -0.43 0.00 3.64 -1.84 0.52 116.57 125.04 2js3 h LYS 57 Ca -0.02 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.26 2js3 h LYS 57 Cb 0.90 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2js3 h LYS 57 CO 0.71 0.00 -0.11 -0.07 -2.27 0.00 0.00 179.45 177.71 2js3 h LEU 58 N 0.00 0.76 0.00 5.20 4.07 -1.93 -3.31 115.31 120.10 2js3 h LEU 58 Ca 0.09 -0.23 -0.39 0.00 0.08 0.00 0.00 57.88 57.44 2js3 h LEU 58 Cb 0.63 -0.21 -0.07 0.00 1.08 0.00 0.00 40.66 42.10 2js3 h LEU 58 CO -0.00 0.90 -2.45 0.00 -1.08 0.00 0.00 178.44 175.81 2js3 n GLY 60 N 2.15 1.03 3.93 0.00 0.00 0.15 -4.98 105.19 107.48 2js3 n GLY 60 Ca -0.43 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.00 3.61 -0.20 4.61 0.00 -1.23 -4.93 121.76 121.61 2js3 s ALA 61 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 50.93 2js3 s ALA 61 Cb 0.00 -2.26 0.08 0.00 0.00 0.00 0.00 23.12 20.94 2js3 s ALA 61 CO 0.00 -0.08 0.77 -1.54 0.00 0.00 0.00 175.76 174.90 2js3 s SER 62 N -3.96 -0.66 0.07 0.00 1.04 -1.26 -1.79 113.70 107.13 2js3 s SER 62 Ca 0.42 1.11 -0.13 0.00 0.48 0.00 0.00 55.95 57.83 2js3 s SER 62 Cb -0.10 1.06 0.02 0.00 0.10 0.00 0.00 66.02 67.10 2js3 s SER 62 CO 0.38 -0.34 0.30 0.54 0.98 0.00 0.00 173.24 175.09 2js3 s VAL 63 N -0.17 0.09 -0.06 5.02 0.11 -0.46 -4.95 120.40 119.98 2js3 s VAL 63 Ca -0.03 -0.76 -0.40 0.00 -2.93 0.00 0.00 61.98 57.86 2js3 s VAL 63 Cb -0.03 -1.05 -0.19 0.00 -1.53 0.00 0.00 36.38 33.57 2js3 s VAL 63 CO 0.03 -0.42 1.23 -2.65 -3.33 0.00 0.00 175.10 169.96 2js3 n PRO 64 N 0.33 0.30 0.30 1.54 -0.01 -1.26 0.48 135.00 136.68 2js3 n PRO 64 Ca -0.17 0.11 0.17 0.00 -0.01 0.00 0.00 63.50 63.59 2js3 n PRO 64 Cb 0.61 -1.65 0.98 0.00 -0.01 0.00 0.00 33.50 33.43 2js3 n PRO 64 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 175.50 175.60 2js3 h TRP 65 N 3.81 0.00 -0.65 6.00 5.08 -1.71 -2.27 115.95 126.21 2js3 h TRP 65 Ca -0.49 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.09 2js3 h TRP 65 Cb 1.40 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 27.36 2js3 h TRP 65 CO 0.60 0.02 0.50 -0.11 -1.28 0.00 0.00 178.44 178.17 2js3 n LEU 66 N -3.58 6.17 -3.66 0.11 7.94 -1.26 -4.78 117.00 117.95 2js3 n LEU 66 Ca -0.03 -3.26 -0.09 0.00 -1.11 0.00 0.00 56.01 51.53 2js3 n LEU 66 Cb 0.10 -0.88 -0.08 0.00 0.53 0.00 0.00 43.42 43.10 2js3 n LEU 66 CO 0.26 1.09 0.27 -1.58 -1.11 0.00 0.00 177.39 176.31 2js3 s GLN 67 N -2.32 0.63 0.01 1.96 0.74 -0.85 -5.07 119.66 114.76 2js3 s GLN 67 Ca 0.40 1.06 -0.25 0.00 0.05 0.00 0.00 55.36 56.62 2js3 s GLN 67 Cb 0.32 0.14 -0.18 0.00 1.10 0.00 0.00 33.01 34.38 2js3 s GLN 67 CO 0.03 -0.14 1.35 1.15 -0.55 0.00 0.00 175.29 177.13 2js3 h THR 68 N 4.99 1.15 -5.68 -0.34 2.02 -1.86 -3.45 112.91 109.74 2js3 h THR 68 Ca -0.31 -0.79 -0.16 0.00 0.77 0.00 0.00 66.41 65.91 2js3 h THR 68 Cb 1.21 1.66 0.04 0.00 -1.74 0.00 0.00 68.15 69.32 2js3 h THR 68 CO 0.19 0.20 -0.40 0.61 0.37 0.00 0.00 175.52 176.48 2js3 n GLY 69 N -0.15 -1.21 2.48 2.16 0.00 -1.26 -2.02 105.19 105.19 2js3 n GLY 69 Ca -0.08 0.51 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.23 -5.50 -3.52 1.61 9.92 -1.26 -1.12 116.55 114.45 2js3 n ASP 70 Ca -0.07 0.25 -0.20 0.00 -0.53 0.00 0.00 54.79 54.25 2js3 n ASP 70 Cb 0.56 -4.64 0.08 0.00 -0.64 0.00 0.00 41.12 36.48 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 -2.64 -6.77 -0.45 -1.24 2.13 -1.03 -1.98 120.64 108.65 2js3 n GLU 71 Ca -0.21 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.42 2js3 n GLU 71 Cb 0.66 -5.79 0.00 0.00 0.27 0.00 0.00 31.44 26.58 2js3 n GLU 71 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 2js3 n ILE 72 N -4.40 0.00 -1.08 6.31 0.13 -0.27 -4.65 119.36 115.39 2js3 n ILE 72 Ca -0.20 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.45 2js3 n ILE 72 Cb 0.64 -0.22 0.00 0.00 -0.84 0.00 0.00 39.64 39.21 2js3 n ILE 72 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 2js3 n LYS 73 N -2.00 -3.07 -4.39 9.51 3.00 -0.84 -4.65 118.16 115.72 2js3 n LYS 73 Ca 0.00 2.30 -0.21 0.00 -0.00 0.00 0.00 58.31 60.41 2js3 n LYS 73 Cb 0.00 -2.64 -0.13 0.00 0.00 0.00 0.00 35.03 32.26 2js3 n LYS 73 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2js3 s HIS 74 N -3.32 1.30 0.47 5.64 3.76 -1.26 -4.89 115.29 116.98 2js3 s HIS 74 Ca 0.00 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 2js3 s HIS 74 Cb 0.00 -0.77 -0.01 0.00 1.11 0.00 0.00 32.58 32.91 2js3 s HIS 74 CO 0.00 0.04 0.72 0.00 -0.85 0.00 0.00 174.74 174.65 2js3 s ALA 75 N -0.84 3.57 0.36 -1.40 0.00 -1.26 -4.99 121.76 117.20 2js3 s ALA 75 Ca 0.02 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.24 2js3 s ALA 75 Cb -0.08 -2.33 0.67 0.00 0.00 0.00 0.00 23.12 21.38 2js3 s ALA 75 CO 0.01 -0.39 1.84 0.22 0.00 0.00 0.00 175.76 177.44 2js3 h ASP 76 N 0.30 0.22 0.75 0.00 1.82 -2.02 -2.28 116.42 115.21 2js3 h ASP 76 Ca -0.47 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 2js3 h ASP 76 Cb 1.24 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2js3 h ASP 76 CO 0.60 0.46 0.00 -0.67 -1.61 0.00 0.00 179.24 178.02 2js3 n ASP 77 N -4.18 0.00 -4.67 2.28 2.03 -1.26 -4.77 116.55 105.98 2js3 n ASP 77 Ca -0.01 0.49 -0.43 0.00 0.52 0.00 0.00 54.79 55.36 2js3 n ASP 77 Cb 0.34 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 2js3 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2js3 h PRO 79 N 7.34 0.00 -0.00 0.00 0.11 -1.88 -2.34 132.00 135.22 2js3 h PRO 79 Ca -0.24 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 2js3 h PRO 79 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2js3 h PRO 79 CO 0.92 0.00 -0.10 -0.39 -0.21 0.00 0.00 178.00 178.22 2js3 h VAL 80 N 0.00 1.07 -0.31 3.15 -1.51 -1.93 -1.29 116.25 115.43 2js3 h VAL 80 Ca 0.00 -0.34 -0.05 0.00 -1.23 0.00 0.00 66.70 65.07 2js3 h VAL 80 Cb 0.15 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.47 2js3 h VAL 80 CO 0.00 0.10 -0.04 0.58 -1.23 0.00 0.00 177.57 176.98 2js3 h VAL 81 N 0.01 1.20 -0.01 7.19 2.07 -1.74 0.14 116.25 125.12 2js3 h VAL 81 Ca 0.00 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2js3 h VAL 81 Cb 0.18 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2js3 h VAL 81 CO 0.01 0.28 -0.01 0.40 0.02 0.00 0.00 177.57 178.28 2js3 h ILE 82 N 0.47 1.40 -0.84 4.57 1.08 -1.44 -2.65 117.51 120.11 2js3 h ILE 82 Ca 0.10 -1.20 0.06 0.00 -0.39 0.00 0.00 64.86 63.42 2js3 h ILE 82 Cb 0.37 2.21 -0.06 0.00 -3.07 0.00 0.00 36.82 36.27 2js3 h ILE 82 CO 0.02 0.31 0.52 0.00 -0.69 0.00 0.00 178.15 178.31 2js3 h ALA 83 N 0.50 1.14 -0.30 1.87 0.00 -1.18 -1.22 119.26 120.07 2js3 h ALA 83 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2js3 h ALA 83 Cb 0.52 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2js3 h ALA 83 CO 0.00 0.28 0.20 -0.22 0.00 0.00 0.00 179.25 179.51 2js3 h LYS 84 N 0.96 0.39 -0.56 0.00 1.63 -0.99 -2.15 116.57 115.85 2js3 h LYS 84 Ca 0.36 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.18 2js3 h LYS 84 Cb 0.14 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 2js3 h LYS 84 CO -0.16 0.26 0.31 1.96 -3.45 0.00 0.00 179.45 178.37 2js3 h GLN 85 N 0.40 0.58 -0.71 1.90 4.20 -0.99 -2.20 115.11 118.30 2js3 h GLN 85 Ca 0.11 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2js3 h GLN 85 Cb -0.04 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 2js3 h GLN 85 CO -0.03 0.39 0.43 0.82 -0.67 0.00 0.00 178.83 179.77 2js3 h ILE 86 N 0.60 1.20 -0.00 2.54 2.04 -0.87 -1.90 117.51 121.12 2js3 h ILE 86 Ca 0.24 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2js3 h ILE 86 Cb 0.10 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2js3 h ILE 86 CO -0.14 0.20 -0.01 0.00 0.00 0.00 0.00 178.15 178.20 2js3 n LEU 87 N -4.55 0.03 -1.91 1.44 -0.00 -0.84 -3.41 117.00 107.75 2js3 n LEU 87 Ca 0.06 0.30 -0.17 0.00 -0.00 0.00 0.00 56.01 56.20 2js3 n LEU 87 Cb 0.05 -0.31 0.19 0.00 -0.00 0.00 0.00 43.42 43.35 2js3 n LEU 87 CO 0.37 0.01 1.11 -1.20 -0.00 0.00 0.00 177.39 177.67 2js3 n SER 88 N -1.30 3.44 -0.35 1.45 7.64 -0.71 -4.51 113.62 119.28 2js3 n SER 88 Ca 0.13 -3.64 0.07 0.00 1.01 0.00 0.00 58.87 56.44 2js3 n SER 88 Cb 0.26 -0.78 0.25 0.00 -1.01 0.00 0.00 64.21 62.93 2js3 n SER 88 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2js3 h SER 89 N 1.09 0.91 -3.65 6.43 0.87 -1.63 -3.33 113.55 114.24 2js3 h SER 89 Ca 0.50 0.04 -0.62 0.00 -1.23 0.00 0.00 61.79 60.48 2js3 h SER 89 Cb 2.50 -0.15 -0.14 0.00 -0.44 0.00 0.00 62.40 64.18 2js3 h SER 89 CO 0.88 0.51 -0.23 -0.13 -0.53 0.00 0.00 176.83 177.33 2js3 s ARG 90 N -5.93 4.06 -0.35 2.24 0.52 -1.26 -5.00 118.95 113.23 2js3 s ARG 90 Ca -0.12 0.08 -0.39 0.00 -0.52 0.00 0.00 55.73 54.78 2js3 s ARG 90 Cb 0.22 -3.62 -0.15 0.00 0.52 0.00 0.00 34.95 31.92 2js3 s ARG 90 CO 0.81 -0.21 1.99 -0.35 0.02 0.00 0.00 175.30 177.56 2js3 n PRO 91 N 5.09 0.91 -1.71 3.54 -0.04 -1.25 -4.87 135.00 136.67 2js3 n PRO 91 Ca -0.09 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 2js3 n PRO 91 Cb 0.51 -2.14 -0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2js3 n PRO 91 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2js3 n LYS 92 N 6.88 2.16 -1.42 0.54 4.81 -1.26 -4.79 118.16 125.08 2js3 n LYS 92 Ca 0.37 0.76 -0.51 0.00 -0.87 0.00 0.00 58.31 58.06 2js3 n LYS 92 Cb 0.14 -2.38 -0.08 0.00 0.02 0.00 0.00 35.03 32.73 2js3 n LYS 92 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2js3 n LEU 93 N 0.62 1.86 -3.86 3.14 4.77 -1.26 -4.92 117.00 117.34 2js3 n LEU 93 Ca 0.05 0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 56.25 2js3 n LEU 93 Cb 0.37 -1.20 -0.16 0.00 -2.33 0.00 0.00 43.42 40.09 2js3 n LEU 93 CO 0.62 -0.76 -0.40 -1.38 -1.33 0.00 0.00 177.39 174.14 2js3 s HIS 94 N 7.31 0.60 -0.72 -1.77 -3.43 -1.26 -5.09 115.29 110.93 2js3 s HIS 94 Ca 1.12 -0.14 -0.22 0.00 -0.80 0.00 0.00 55.06 55.02 2js3 s HIS 94 Cb -0.95 -0.59 0.08 0.00 -1.43 0.00 0.00 32.58 29.68 2js3 s HIS 94 CO 0.51 -0.18 1.02 0.00 -2.00 0.00 0.00 174.74 174.09 2js3 s ALA 95 N 1.04 3.12 0.00 -1.38 0.00 -1.26 -5.24 121.76 118.03 2js3 s ALA 95 Ca -0.09 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 49.89 2js3 s ALA 95 Cb -0.14 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.05 2js3 s ALA 95 CO -0.01 -2.87 0.00 0.28 0.00 0.00 0.00 175.76 173.17