#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 1.38 0.00 3.17 0.00 -1.26 -4.85 107.32 105.77 2js3 s GLY 2 Ca 0.00 1.17 0.22 0.00 0.00 0.00 0.00 44.72 46.11 2js3 s GLY 2 CO 0.00 3.40 1.29 1.44 0.00 0.00 0.00 173.10 179.23 2js3 n SER 3 N 7.84 3.14 -4.38 1.64 7.64 -1.26 -4.86 113.62 123.37 2js3 n SER 3 Ca 0.20 -1.95 -0.34 0.00 1.01 0.00 0.00 58.87 57.79 2js3 n SER 3 Cb 0.42 -0.13 -0.13 0.00 -1.01 0.00 0.00 64.21 63.36 2js3 n SER 3 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2js3 s SER 4 N -1.63 4.45 -0.07 6.43 0.15 -1.26 -5.09 113.70 116.68 2js3 s SER 4 Ca 0.32 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.59 2js3 s SER 4 Cb 0.20 -1.74 0.02 0.00 -1.71 0.00 0.00 66.02 62.79 2js3 s SER 4 CO 0.29 0.07 0.23 -1.38 1.20 0.00 0.00 173.24 173.64 2js3 s HIS 5 N 0.97 -0.21 0.37 3.44 0.00 -1.26 -5.16 115.29 113.44 2js3 s HIS 5 Ca -0.00 0.49 -0.19 0.00 -3.00 0.00 0.00 55.06 52.36 2js3 s HIS 5 Cb -0.15 0.07 -0.10 0.00 -4.00 0.00 0.00 32.58 28.40 2js3 s HIS 5 CO 0.01 -0.17 0.86 -1.01 -1.00 0.00 0.00 174.74 173.42 2js3 s HIS 6 N -0.22 3.39 -0.82 0.38 4.02 -1.26 -4.95 115.29 115.83 2js3 s HIS 6 Ca -0.03 1.47 0.20 0.00 1.02 0.00 0.00 55.06 57.72 2js3 s HIS 6 Cb -0.03 -2.73 0.83 0.00 -1.02 0.00 0.00 32.58 29.64 2js3 s HIS 6 CO 0.01 0.02 1.63 1.58 1.02 0.00 0.00 174.74 179.00 2js3 n HIS 7 N -0.35 0.33 0.01 1.40 -0.00 -1.26 -4.28 115.22 111.06 2js3 n HIS 7 Ca 0.05 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 2js3 n HIS 7 Cb 0.53 -0.69 0.00 0.00 -0.00 0.00 0.00 29.99 29.83 2js3 n HIS 7 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2js3 n HIS 8 N -1.79 -0.10 -4.15 1.57 -0.00 -1.26 -4.96 115.22 104.52 2js3 n HIS 8 Ca 0.04 0.02 -0.34 0.00 -0.00 0.00 0.00 57.72 57.44 2js3 n HIS 8 Cb 0.24 0.13 -0.02 0.00 -0.00 0.00 0.00 29.99 30.33 2js3 n HIS 8 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2js3 n HIS 9 N -2.65 -1.76 -2.39 4.41 -0.00 -1.26 -0.90 115.22 110.67 2js3 n HIS 9 Ca 0.00 0.79 -0.13 0.00 -0.00 0.00 0.00 57.72 58.38 2js3 n HIS 9 Cb 0.00 -3.19 0.00 0.00 -0.00 0.00 0.00 29.99 26.81 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 -4.42 -0.79 1.23 -1.40 -0.00 -1.26 -4.89 115.22 103.70 2js3 n HIS 10 Ca -0.01 0.10 0.13 0.00 0.46 0.00 0.00 57.72 58.40 2js3 n HIS 10 Cb 0.54 -2.90 0.48 0.00 -0.12 0.00 0.00 29.99 28.00 2js3 n HIS 10 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2js3 n SER 11 N -0.53 0.53 -3.94 0.26 3.41 -0.08 -4.90 113.62 108.38 2js3 n SER 11 Ca -0.12 -0.43 -0.11 0.00 -0.26 0.00 0.00 58.87 57.95 2js3 n SER 11 Cb 0.60 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 2js3 n SER 11 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2js3 s SER 12 N -2.67 0.17 0.00 4.04 0.01 -1.26 -5.04 113.70 108.96 2js3 s SER 12 Ca 0.22 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2js3 s SER 12 Cb 0.19 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.95 2js3 s SER 12 CO 0.54 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.74 2js3 n GLY 13 N -0.38 0.86 0.12 3.44 0.00 -1.26 -4.99 105.19 102.98 2js3 n GLY 13 Ca 0.00 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.37 2js3 n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2js3 n ARG 14 N -0.01 0.48 -4.28 1.61 0.63 -1.26 -4.90 116.66 108.92 2js3 n ARG 14 Ca 0.00 -0.23 -0.15 0.00 -0.92 0.00 0.00 57.85 56.54 2js3 n ARG 14 Cb 0.00 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.32 2js3 n ARG 14 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2js3 s GLU 15 N -2.68 1.15 -0.04 -0.14 -1.05 -1.26 -5.15 118.70 109.54 2js3 s GLU 15 Ca 0.21 -1.51 0.06 0.00 -0.15 0.00 0.00 54.97 53.58 2js3 s GLU 15 Cb 0.19 -0.73 -0.02 0.00 -0.44 0.00 0.00 34.13 33.13 2js3 s GLU 15 CO 0.56 0.08 -0.22 0.54 0.95 0.00 0.00 175.26 177.16 2js3 s ASN 16 N -3.22 3.35 0.00 0.83 2.20 -1.26 -5.05 114.94 111.80 2js3 s ASN 16 Ca 0.19 -0.39 0.00 0.00 -0.94 0.00 0.00 52.86 51.72 2js3 s ASN 16 Cb 0.02 -0.58 0.00 0.00 -2.00 0.00 0.00 41.25 38.69 2js3 s ASN 16 CO 0.03 0.31 0.00 0.18 -2.94 0.00 0.00 177.10 174.68 2js3 n LEU 17 N 2.50 0.00 0.00 3.54 4.77 -1.26 -5.18 117.00 121.37 2js3 n LEU 17 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2js3 n LEU 17 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2js3 n LEU 17 CO 0.24 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.30 2js3 n TYR 18 N 0.00 -0.21 -1.40 -1.77 9.36 -1.26 -5.08 117.16 116.81 2js3 n TYR 18 Ca 0.00 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.92 2js3 n TYR 18 Cb 0.00 0.00 0.10 0.00 -0.63 0.00 0.00 39.34 38.81 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 0.21 2.69 0.00 2.98 0.08 -1.26 -3.89 117.98 118.79 2js3 s PHE 19 Ca 0.00 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.36 2js3 s PHE 19 Cb 0.00 -3.07 0.00 0.00 -0.57 0.00 0.00 43.02 39.38 2js3 s PHE 19 CO 0.00 -1.85 0.00 0.94 -0.10 0.00 0.00 175.22 174.21 2js3 n GLN 20 N -3.52 0.00 -2.80 0.44 7.27 -1.26 -4.68 117.38 112.83 2js3 n GLN 20 Ca 0.08 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.71 2js3 n GLN 20 Cb 0.55 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.20 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 4.21 3.04 1.69 0.00 -1.25 -4.95 105.19 107.93 2js3 n GLY 21 Ca 0.00 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.71 2js3 n GLY 21 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2js3 s MET 22 N 0.19 0.37 0.00 1.61 0.23 -1.26 -4.14 119.30 116.30 2js3 s MET 22 Ca 0.39 -0.41 0.00 0.00 -1.03 0.00 0.00 55.69 54.64 2js3 s MET 22 Cb 0.02 0.15 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 2js3 s MET 22 CO 0.01 -0.08 0.00 0.25 -2.03 0.00 0.00 175.02 173.17 2js3 n THR 23 N 1.73 0.00 -0.29 3.16 -2.24 -1.26 -4.98 114.28 110.40 2js3 n THR 23 Ca -0.22 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.65 2js3 n THR 23 Cb 0.56 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 69.00 2js3 n THR 23 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2js3 h ASP 24 N 0.00 -0.33 -0.69 3.42 5.19 -2.02 -1.36 116.42 120.63 2js3 h ASP 24 Ca 0.00 0.22 0.10 0.00 -0.62 0.00 0.00 57.03 56.73 2js3 h ASP 24 Cb 0.00 0.37 -0.07 0.00 0.18 0.00 0.00 39.33 39.81 2js3 h ASP 24 CO 0.00 -0.22 0.32 0.74 -3.12 0.00 0.00 179.24 176.96 2js3 h THR 25 N 0.10 0.81 -0.68 0.35 2.02 -1.96 -1.66 112.91 111.89 2js3 h THR 25 Ca 0.48 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.41 2js3 h THR 25 Cb 0.91 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 2js3 h THR 25 CO -0.73 0.10 0.14 0.00 0.37 0.00 0.00 175.52 175.40 2js3 h ALA 26 N 1.44 0.97 -0.62 6.16 0.00 -1.63 0.60 119.26 126.17 2js3 h ALA 26 Ca 0.35 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2js3 h ALA 26 Cb 0.40 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2js3 h ALA 26 CO -0.29 0.66 0.10 0.00 0.00 0.00 0.00 179.25 179.71 2js3 h ALA 27 N 1.12 0.99 0.02 0.00 0.00 -1.22 -1.18 119.26 119.00 2js3 h ALA 27 Ca 0.21 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.62 2js3 h ALA 27 Cb 0.39 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2js3 h ALA 27 CO 0.01 0.64 -1.01 1.49 0.00 0.00 0.00 179.25 180.37 2js3 h GLU 28 N 0.96 0.48 -0.59 0.00 4.81 -1.03 -1.62 114.58 117.58 2js3 h GLU 28 Ca 0.19 -0.54 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2js3 h GLU 28 Cb 0.42 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 2js3 h GLU 28 CO 0.01 1.19 0.17 0.22 -0.73 0.00 0.00 179.01 179.87 2js3 h ASP 29 N 0.26 0.88 0.09 1.04 3.58 -0.69 0.17 116.42 121.75 2js3 h ASP 29 Ca -0.10 -0.22 -0.12 0.00 0.42 0.00 0.00 57.03 57.01 2js3 h ASP 29 Cb 1.66 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.47 2js3 h ASP 29 CO 0.18 0.86 -0.42 0.58 -2.88 0.00 0.00 179.24 177.57 2js3 h VAL 30 N 0.85 1.31 -0.77 2.25 2.07 -1.26 -2.27 116.25 118.43 2js3 h VAL 30 Ca 0.19 -1.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2js3 h VAL 30 Cb 0.31 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 2js3 h VAL 30 CO -0.00 0.48 0.42 -0.09 0.02 0.00 0.00 177.57 178.40 2js3 h ARG 31 N 0.34 1.06 -0.82 1.57 2.43 -0.62 0.17 114.38 118.51 2js3 h ARG 31 Ca 0.03 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 2js3 h ARG 31 Cb 0.88 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 2js3 h ARG 31 CO 0.07 0.78 0.38 -0.22 -1.51 0.00 0.00 179.97 179.47 2js3 h LYS 32 N 1.07 1.19 -0.30 0.20 1.63 -0.25 0.21 116.57 120.32 2js3 h LYS 32 Ca 0.27 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.82 2js3 h LYS 32 Cb 0.03 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.44 2js3 h LYS 32 CO -0.04 0.92 -0.08 0.82 -3.45 0.00 0.00 179.45 177.62 2js3 h ILE 33 N 1.17 1.28 -0.95 2.00 2.04 -0.84 -2.63 117.51 119.59 2js3 h ILE 33 Ca 0.28 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 65.05 2js3 h ILE 33 Cb 0.14 1.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2js3 h ILE 33 CO -0.03 0.36 0.62 0.00 0.00 0.00 0.00 178.15 179.10 2js3 h ALA 34 N 0.79 1.24 -0.58 1.87 0.00 -0.19 -1.24 119.26 121.15 2js3 h ALA 34 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2js3 h ALA 34 Cb 0.57 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2js3 h ALA 34 CO 0.03 0.52 0.30 1.15 0.00 0.00 0.00 179.25 181.25 2js3 h THR 35 N 1.22 1.18 -0.23 0.00 2.02 -0.49 -1.53 112.91 115.08 2js3 h THR 35 Ca 0.37 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2js3 h THR 35 Cb -0.04 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2js3 h THR 35 CO -0.11 0.21 -0.21 0.00 0.37 0.00 0.00 175.52 175.78 2js3 h ALA 36 N 1.52 0.34 0.00 6.16 0.00 -0.89 -2.72 119.26 123.67 2js3 h ALA 36 Ca 0.20 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2js3 h ALA 36 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2js3 h ALA 36 CO -0.03 0.28 -0.23 1.37 0.00 0.00 0.00 179.25 180.64 2js3 h LEU 37 N 0.25 0.00 -1.04 0.00 8.10 -1.01 -0.92 115.31 120.70 2js3 h LEU 37 Ca 0.04 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.94 2js3 h LEU 37 Cb 0.75 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.96 2js3 h LEU 37 CO 0.05 0.23 -0.28 -0.07 -4.11 0.00 0.00 178.44 174.27 2js3 h LEU 38 N 0.00 0.34 0.00 0.17 3.38 -1.15 0.19 115.31 118.24 2js3 h LEU 38 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2js3 h LEU 38 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2js3 h LEU 38 CO 0.03 0.62 -0.13 1.17 0.09 0.00 0.00 178.44 180.22 2js3 n LYS 39 N -4.12 0.05 -0.13 1.13 3.00 -0.46 -2.70 118.16 114.93 2js3 n LYS 39 Ca -0.01 0.03 -0.27 0.00 -0.00 0.00 0.00 58.31 58.06 2js3 n LYS 39 Cb 0.40 -1.55 -0.10 0.00 0.00 0.00 0.00 35.03 33.78 2js3 n LYS 39 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2js3 n THR 40 N -1.63 1.53 1.19 3.15 -1.04 -0.57 -4.60 114.28 112.31 2js3 n THR 40 Ca 0.06 -0.29 0.12 0.00 -2.04 0.00 0.00 64.05 61.90 2js3 n THR 40 Cb 0.36 -1.93 0.27 0.00 -1.82 0.00 0.00 70.33 67.20 2js3 n THR 40 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2js3 n ALA 41 N -4.10 3.16 -4.03 2.41 0.00 0.61 -4.76 120.51 113.80 2js3 n ALA 41 Ca -0.49 -0.48 -0.31 0.00 0.00 0.00 0.00 53.44 52.16 2js3 n ALA 41 Cb 0.83 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.44 1.76 0.15 0.00 1.01 -1.10 0.01 121.20 120.58 2js3 s ILE 42 Ca 0.24 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.97 2js3 s ILE 42 Cb 0.19 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2js3 s ILE 42 CO 0.51 0.28 -0.12 -0.70 0.00 0.00 0.00 174.94 174.92 2js3 s GLU 43 N 1.37 1.07 -0.23 2.79 2.56 -1.03 -4.64 118.70 120.58 2js3 s GLU 43 Ca 0.01 -1.40 -0.24 0.00 0.00 0.00 0.00 54.97 53.34 2js3 s GLU 43 Cb -0.15 -0.75 -0.01 0.00 2.00 0.00 0.00 34.13 35.22 2js3 s GLU 43 CO -0.09 0.11 0.80 0.42 -0.56 0.00 0.00 175.26 175.94 2js3 s ILE 44 N -2.94 4.87 -0.31 -3.70 -1.09 -1.26 -2.58 121.20 114.19 2js3 s ILE 44 Ca 0.15 1.51 0.01 0.00 -2.23 0.00 0.00 60.65 60.09 2js3 s ILE 44 Cb -0.00 -4.09 0.07 0.00 -1.58 0.00 0.00 42.46 36.86 2js3 s ILE 44 CO 0.02 -0.04 -0.00 0.68 -1.23 0.00 0.00 174.94 174.37 2js3 s VAL 45 N 2.67 2.57 0.30 2.92 -7.23 0.32 -4.92 120.40 117.03 2js3 s VAL 45 Ca 0.34 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 2js3 s VAL 45 Cb -0.15 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 2js3 s VAL 45 CO 0.08 -0.27 0.46 -0.44 -0.31 0.00 0.00 175.10 174.62 2js3 s SER 46 N 1.19 6.28 0.08 4.85 0.01 -1.26 -1.77 113.70 123.06 2js3 s SER 46 Ca -0.01 0.24 -0.13 0.00 1.31 0.00 0.00 55.95 57.36 2js3 s SER 46 Cb -0.20 -1.90 -0.06 0.00 0.21 0.00 0.00 66.02 64.07 2js3 s SER 46 CO -0.04 -0.21 0.45 -1.61 0.41 0.00 0.00 173.24 172.23 2js3 s GLU 47 N -4.16 3.87 0.20 12.44 2.02 0.13 -4.93 118.70 128.26 2js3 s GLU 47 Ca 0.38 0.34 -0.10 0.00 0.02 0.00 0.00 54.97 55.61 2js3 s GLU 47 Cb -0.09 -3.05 0.12 0.00 0.10 0.00 0.00 34.13 31.21 2js3 s GLU 47 CO 0.33 0.58 1.77 1.49 0.02 0.00 0.00 175.26 179.44 2js3 h GLU 48 N 3.96 1.04 0.00 1.61 4.81 -1.99 -3.28 114.58 120.72 2js3 h GLU 48 Ca -0.50 -0.17 -0.38 0.00 -0.13 0.00 0.00 59.36 58.19 2js3 h GLU 48 Cb 1.20 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.33 2js3 h GLU 48 CO 0.65 0.83 -2.43 -3.47 -0.73 0.00 0.00 179.01 173.86 2js3 n ASP 49 N -4.40 0.81 0.00 1.04 2.03 -1.26 -4.94 116.55 109.83 2js3 n ASP 49 Ca 0.06 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2js3 n ASP 49 Cb 0.15 0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2js3 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2js3 n GLY 50 N 1.96 0.86 0.00 0.27 0.00 -1.24 -5.12 105.19 101.92 2js3 n GLY 50 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 5.00 3.75 3.80 -0.02 0.00 -1.26 -4.75 105.19 111.72 2js3 n GLY 51 Ca 0.00 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.71 3.10 -0.02 4.61 0.00 -1.26 0.19 121.76 126.67 2js3 s ALA 52 Ca 0.00 0.47 0.01 0.00 0.00 0.00 0.00 51.96 52.43 2js3 s ALA 52 Cb 0.00 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.97 2js3 s ALA 52 CO 0.00 0.12 -0.01 -1.01 0.00 0.00 0.00 175.76 174.86 2js3 s HIS 53 N -1.94 0.33 -0.25 0.00 3.76 -0.73 -2.14 115.29 114.32 2js3 s HIS 53 Ca 0.58 -0.03 -0.22 0.00 -0.15 0.00 0.00 55.06 55.23 2js3 s HIS 53 Cb -0.13 -0.35 -0.01 0.00 1.11 0.00 0.00 32.58 33.20 2js3 s HIS 53 CO 0.18 -0.09 0.73 -0.80 -0.85 0.00 0.00 174.74 173.91 2js3 s ASN 54 N 0.64 6.71 -0.02 1.40 -0.87 0.67 -0.52 114.94 122.94 2js3 s ASN 54 Ca -0.07 0.88 0.05 0.00 -1.57 0.00 0.00 52.86 52.15 2js3 s ASN 54 Cb -0.10 -2.39 -0.01 0.00 -0.02 0.00 0.00 41.25 38.74 2js3 s ASN 54 CO -0.01 -0.44 -0.16 -1.10 -2.57 0.00 0.00 177.10 172.82 2js3 s GLN 55 N 2.65 1.46 -0.13 -0.60 -0.21 -1.07 -0.92 119.66 120.83 2js3 s GLN 55 Ca 0.31 -0.57 -0.09 0.00 0.02 0.00 0.00 55.36 55.02 2js3 s GLN 55 Cb -0.15 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.46 2js3 s GLN 55 CO 0.08 0.30 0.17 0.00 -2.12 0.00 0.00 175.29 173.72 2js3 n LYS 57 N 2.50 0.03 -0.10 0.00 3.00 0.10 -1.75 118.16 121.94 2js3 n LYS 57 Ca -0.18 0.16 -0.24 0.00 -0.00 0.00 0.00 58.31 58.06 2js3 n LYS 57 Cb 0.54 -1.54 -0.11 0.00 0.00 0.00 0.00 35.03 33.91 2js3 n LYS 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2js3 n LEU 58 N -1.59 2.02 -0.17 3.14 7.94 -1.26 -4.62 117.00 122.45 2js3 n LEU 58 Ca 0.05 0.36 0.03 0.00 -1.11 0.00 0.00 56.01 55.33 2js3 n LEU 58 Cb 0.26 -0.95 0.01 0.00 0.53 0.00 0.00 43.42 43.27 2js3 n LEU 58 CO 0.20 0.44 0.25 0.00 -1.11 0.00 0.00 177.39 177.17 2js3 n GLY 60 N 0.54 -0.34 3.74 0.00 0.00 -0.72 -4.95 105.19 103.46 2js3 n GLY 60 Ca 0.03 0.12 -0.35 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 -3.28 3.70 0.02 4.61 0.00 -1.25 -4.91 121.76 120.64 2js3 s ALA 61 Ca 0.45 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.80 2js3 s ALA 61 Cb -0.20 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.76 2js3 s ALA 61 CO 0.64 0.21 -0.26 -1.54 0.00 0.00 0.00 175.76 174.80 2js3 s SER 62 N 0.23 3.16 -0.11 0.00 1.04 -1.25 -2.11 113.70 114.65 2js3 s SER 62 Ca 0.08 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 55.86 2js3 s SER 62 Cb -0.11 -0.33 0.03 0.00 0.10 0.00 0.00 66.02 65.71 2js3 s SER 62 CO -0.01 0.28 0.33 0.54 0.98 0.00 0.00 173.24 175.36 2js3 s VAL 63 N -0.74 0.01 0.32 5.02 0.11 -0.10 -4.97 120.40 120.05 2js3 s VAL 63 Ca 0.11 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.80 2js3 s VAL 63 Cb -0.10 -0.49 -0.12 0.00 -1.53 0.00 0.00 36.38 34.14 2js3 s VAL 63 CO 0.01 -0.04 1.43 -0.81 -3.33 0.00 0.00 175.10 172.37 2js3 n PRO 64 N 2.67 2.37 0.04 1.54 -0.04 -1.26 -0.24 135.00 140.07 2js3 n PRO 64 Ca -0.14 0.84 0.08 0.00 -0.04 0.00 0.00 63.50 64.24 2js3 n PRO 64 Cb 0.57 -2.52 0.52 0.00 -0.04 0.00 0.00 33.50 32.04 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 3.54 0.33 -0.00 0.54 5.08 -1.79 -2.36 115.95 121.29 2js3 h TRP 65 Ca -0.47 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.51 2js3 h TRP 65 Cb 1.26 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 2js3 h TRP 65 CO 0.54 0.19 -0.01 -0.11 -1.28 0.00 0.00 178.44 177.77 2js3 n LEU 66 N -4.48 0.26 0.00 0.11 7.94 -1.26 -3.91 117.00 115.66 2js3 n LEU 66 Ca 0.04 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2js3 n LEU 66 Cb 0.20 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2js3 n LEU 66 CO 0.35 0.05 0.11 1.67 -1.11 0.00 0.00 177.39 178.45 2js3 n GLN 67 N -0.88 0.00 0.15 1.96 -0.06 -0.89 -5.03 117.38 112.63 2js3 n GLN 67 Ca 0.21 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.28 2js3 n GLN 67 Cb 0.19 -0.76 0.00 0.00 -4.06 0.00 0.00 30.24 25.60 2js3 n GLN 67 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 2js3 n THR 68 N -0.72 0.00 0.00 1.69 -1.04 -1.25 -5.16 114.28 107.80 2js3 n THR 68 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2js3 n THR 68 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2js3 n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2js3 n GLY 69 N -1.37 0.19 5.00 3.41 0.00 -1.26 -4.94 105.19 106.22 2js3 n GLY 69 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.51 0.00 -3.80 1.61 2.03 -1.26 -4.71 116.55 109.91 2js3 n ASP 70 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 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 -0.62 -1.92 0.00 0.00 177.20 174.66 2js3 n GLU 71 N 0.00 2.29 -3.78 -0.67 -0.58 -1.26 -4.82 120.64 111.82 2js3 n GLU 71 Ca 0.00 -2.36 -0.29 0.00 -0.42 0.00 0.00 57.16 54.09 2js3 n GLU 71 Cb 0.00 -3.19 -0.16 0.00 -0.57 0.00 0.00 31.44 27.53 2js3 n GLU 71 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2js3 s ILE 72 N 4.39 0.88 -0.34 -3.67 -4.36 -1.26 -5.07 121.20 111.77 2js3 s ILE 72 Ca 0.53 -1.01 0.00 0.00 -0.26 0.00 0.00 60.65 59.91 2js3 s ILE 72 Cb 0.13 -1.43 0.09 0.00 1.25 0.00 0.00 42.46 42.49 2js3 s ILE 72 CO 0.02 -0.35 0.07 -0.75 0.24 0.00 0.00 174.94 174.16 2js3 s LYS 73 N 1.67 1.96 0.00 0.37 2.36 -1.26 -4.90 119.74 119.93 2js3 s LYS 73 Ca 0.02 -1.65 0.13 0.00 -2.55 0.00 0.00 55.97 51.91 2js3 s LYS 73 Cb -0.18 -3.28 -0.07 0.00 -1.05 0.00 0.00 37.83 33.25 2js3 s LYS 73 CO -0.13 -0.86 0.64 1.58 1.55 0.00 0.00 175.35 178.13 2js3 n HIS 74 N 4.47 0.00 -3.39 4.03 -0.00 -1.26 -4.92 115.22 114.15 2js3 n HIS 74 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.66 2js3 n HIS 74 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.36 2js3 n HIS 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2js3 s ALA 75 N -1.95 -1.74 -0.12 1.57 0.00 -1.26 -5.00 121.76 113.26 2js3 s ALA 75 Ca 0.08 1.66 0.30 0.00 0.00 0.00 0.00 51.96 54.00 2js3 s ALA 75 Cb 0.10 -1.83 1.02 0.00 0.00 0.00 0.00 23.12 22.41 2js3 s ALA 75 CO 0.44 -1.14 1.85 -0.44 0.00 0.00 0.00 175.76 176.47 2js3 h ASP 76 N 8.07 0.00 0.70 0.00 3.32 -2.02 -3.09 116.42 123.40 2js3 h ASP 76 Ca -0.20 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.64 2js3 h ASP 76 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 2js3 h ASP 76 CO 0.21 0.00 -0.98 -0.78 -1.72 0.00 0.00 179.24 175.97 2js3 h ASP 77 N 0.00 0.22 -4.20 6.45 3.58 -2.03 -3.46 116.42 116.99 2js3 h ASP 77 Ca 0.00 -0.21 -0.49 0.00 0.42 0.00 0.00 57.03 56.76 2js3 h ASP 77 Cb 0.66 -0.07 0.05 0.00 1.72 0.00 0.00 39.33 41.69 2js3 h ASP 77 CO 0.00 1.07 0.38 0.00 -2.88 0.00 0.00 179.24 177.81 2js3 n PRO 79 N -1.92 0.28 -0.29 0.00 -0.04 -1.26 -2.82 135.00 128.95 2js3 n PRO 79 Ca 0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 2js3 n PRO 79 Cb 0.53 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.24 -0.27 0.52 2.07 -1.91 -0.65 116.25 117.26 2js3 h VAL 80 Ca 0.00 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 2js3 h VAL 80 Cb 0.00 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 2js3 h VAL 80 CO 0.00 0.29 -0.32 0.58 0.02 0.00 0.00 177.57 178.13 2js3 h VAL 81 N 1.10 1.30 -0.38 2.57 2.07 -1.76 0.78 116.25 121.92 2js3 h VAL 81 Ca 0.27 -1.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 2js3 h VAL 81 Cb 0.10 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2js3 h VAL 81 CO -0.04 0.48 -0.21 -0.29 0.02 0.00 0.00 177.57 177.53 2js3 h ILE 82 N 0.44 1.27 -0.35 4.57 6.09 -1.72 -0.83 117.51 126.98 2js3 h ILE 82 Ca 0.04 -1.31 -0.14 0.00 -1.37 0.00 0.00 64.86 62.08 2js3 h ILE 82 Cb 0.90 1.20 -0.01 0.00 0.47 0.00 0.00 36.82 39.38 2js3 h ILE 82 CO 0.08 0.44 -0.33 0.00 -3.07 0.00 0.00 178.15 175.27 2js3 h ALA 83 N 1.10 0.76 -0.94 0.18 0.00 -1.07 -2.97 119.26 116.32 2js3 h ALA 83 Ca 0.09 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2js3 h ALA 83 Cb 0.71 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2js3 h ALA 83 CO 0.05 0.65 0.61 -0.22 0.00 0.00 0.00 179.25 180.35 2js3 h LYS 84 N 0.66 1.24 -0.89 0.00 1.63 -0.31 -0.89 116.57 118.01 2js3 h LYS 84 Ca 0.07 -0.08 0.09 0.00 -0.85 0.00 0.00 60.65 59.87 2js3 h LYS 84 Cb 0.87 -0.28 -0.06 0.00 -0.60 0.00 0.00 32.23 32.16 2js3 h LYS 84 CO 0.08 0.83 0.57 1.96 -3.45 0.00 0.00 179.45 179.44 2js3 h GLN 85 N 1.28 0.88 0.02 1.90 4.20 -1.01 0.10 115.11 122.49 2js3 h GLN 85 Ca 0.34 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 2js3 h GLN 85 Cb -0.13 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.45 2js3 h GLN 85 CO -0.07 0.58 -0.01 0.82 -0.67 0.00 0.00 178.83 179.48 2js3 h ILE 86 N 0.91 1.45 0.00 2.54 1.08 -1.19 -3.30 117.51 119.00 2js3 h ILE 86 Ca 0.40 -1.73 -0.05 0.00 -0.39 0.00 0.00 64.86 63.10 2js3 h ILE 86 Cb 0.35 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.67 2js3 h ILE 86 CO -0.17 0.43 -0.23 0.17 -0.69 0.00 0.00 178.15 177.66 2js3 h LEU 87 N -0.81 0.00 -6.88 1.44 8.10 -1.09 -3.15 115.31 112.92 2js3 h LEU 87 Ca -0.00 0.00 -0.78 0.00 0.11 0.00 0.00 57.88 57.21 2js3 h LEU 87 Cb 0.72 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 40.64 2js3 h LEU 87 CO 0.01 0.23 0.56 -1.20 -4.11 0.00 0.00 178.44 173.92 2js3 n SER 88 N -3.48 5.97 0.01 0.17 7.64 0.34 -4.84 113.62 119.43 2js3 n SER 88 Ca -0.00 -3.39 -0.06 0.00 1.01 0.00 0.00 58.87 56.43 2js3 n SER 88 Cb 0.40 -1.19 0.13 0.00 -1.01 0.00 0.00 64.21 62.53 2js3 n SER 88 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2js3 h SER 89 N 5.36 0.54 -5.67 6.43 0.02 -1.67 -3.44 113.55 115.12 2js3 h SER 89 Ca 0.20 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 2js3 h SER 89 Cb 0.64 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2js3 h SER 89 CO 1.24 0.87 -0.75 0.54 -1.14 0.00 0.00 176.83 177.59 2js3 n ARG 90 N -4.04 -2.27 -0.04 3.45 1.74 -1.26 -5.03 116.66 109.21 2js3 n ARG 90 Ca -0.01 1.94 0.00 0.00 -0.77 0.00 0.00 57.85 59.00 2js3 n ARG 90 Cb 0.50 -4.50 0.00 0.00 -1.02 0.00 0.00 32.46 27.43 2js3 n ARG 90 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2js3 n PRO 91 N -0.16 0.18 -2.21 5.56 -0.04 -1.26 -4.89 135.00 132.18 2js3 n PRO 91 Ca 0.05 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.19 2js3 n PRO 91 Cb 0.50 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.55 2.89 -0.05 0.54 2.20 -1.26 -4.84 119.74 116.67 2js3 s LYS 92 Ca 0.00 -1.30 -0.04 0.00 -0.36 0.00 0.00 55.97 54.27 2js3 s LYS 92 Cb 0.00 -5.31 0.02 0.00 -1.51 0.00 0.00 37.83 31.03 2js3 s LYS 92 CO 0.00 -3.47 0.13 -1.17 -0.36 0.00 0.00 175.35 170.49 2js3 s LEU 93 N 9.12 1.40 -0.41 5.43 0.20 -1.26 -5.10 118.68 128.05 2js3 s LEU 93 Ca 0.64 0.27 -0.27 0.00 0.69 0.00 0.00 54.13 55.46 2js3 s LEU 93 Cb -0.00 0.43 -0.04 0.00 -0.43 0.00 0.00 46.19 46.16 2js3 s LEU 93 CO 0.10 -0.06 2.02 -2.28 -0.29 0.00 0.00 176.35 175.84 2js3 s HIS 94 N 0.22 1.50 -0.09 5.38 5.65 -1.26 -4.93 115.29 121.76 2js3 s HIS 94 Ca -0.01 0.85 -0.06 0.00 0.25 0.00 0.00 55.06 56.08 2js3 s HIS 94 Cb -0.02 -3.97 0.03 0.00 -1.18 0.00 0.00 32.58 27.44 2js3 s HIS 94 CO -0.01 -2.92 0.22 0.00 -0.65 0.00 0.00 174.74 171.39 2js3 s ALA 95 N 8.81 -0.52 -2.60 1.58 0.00 -1.26 -5.23 121.76 122.53 2js3 s ALA 95 Ca 0.84 0.79 0.27 0.00 0.00 0.00 0.00 51.96 53.86 2js3 s ALA 95 Cb -0.21 -0.49 0.87 0.00 0.00 0.00 0.00 23.12 23.30 2js3 s ALA 95 CO 0.29 -0.15 1.65 0.28 0.00 0.00 0.00 175.76 177.83