#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 2.08 0.00 3.03 0.00 -1.26 -4.94 107.32 106.23 2js3 s GLY 2 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2js3 s GLY 2 CO 0.00 -0.79 0.05 -1.14 0.00 0.00 0.00 173.10 171.22 2js3 n SER 3 N 0.83 0.00 -4.45 1.64 3.41 -1.26 -5.09 113.62 108.71 2js3 n SER 3 Ca -0.10 -1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 57.07 2js3 n SER 3 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.43 2js3 n SER 3 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2js3 s SER 4 N 0.00 6.18 -0.65 4.04 1.04 -1.26 -4.96 113.70 118.09 2js3 s SER 4 Ca 0.00 -1.02 -0.08 0.00 0.48 0.00 0.00 55.95 55.32 2js3 s SER 4 Cb 0.00 -2.40 0.17 0.00 0.10 0.00 0.00 66.02 63.88 2js3 s SER 4 CO 0.00 -1.39 0.52 -2.28 0.98 0.00 0.00 173.24 171.06 2js3 s HIS 5 N 3.89 3.52 0.30 5.02 5.65 -1.26 -5.07 115.29 127.34 2js3 s HIS 5 Ca 0.21 -2.24 -0.29 0.00 0.25 0.00 0.00 55.06 52.99 2js3 s HIS 5 Cb -0.18 -3.48 -0.10 0.00 -1.18 0.00 0.00 32.58 27.64 2js3 s HIS 5 CO 0.10 -0.93 1.14 -3.38 -0.65 0.00 0.00 174.74 171.02 2js3 s HIS 6 N 0.42 3.43 0.34 3.88 0.00 -1.26 -5.01 115.29 117.09 2js3 s HIS 6 Ca 0.14 1.64 -0.14 0.00 -3.00 0.00 0.00 55.06 53.70 2js3 s HIS 6 Cb -0.19 -3.35 0.06 0.00 -4.00 0.00 0.00 32.58 25.09 2js3 s HIS 6 CO -0.04 -0.84 0.74 -2.39 -1.00 0.00 0.00 174.74 171.21 2js3 n HIS 7 N 0.97 -2.16 -3.85 0.38 -0.00 -1.26 -5.19 115.22 104.11 2js3 n HIS 7 Ca -0.00 -1.64 -0.03 0.00 -0.00 0.00 0.00 57.72 56.05 2js3 n HIS 7 Cb 0.45 0.82 -0.00 0.00 -0.00 0.00 0.00 29.99 31.25 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 -0.50 -0.52 -0.41 -1.40 -0.00 -1.26 -5.16 115.22 105.97 2js3 n HIS 8 Ca -0.07 -0.23 0.00 0.00 -0.00 0.00 0.00 57.72 57.41 2js3 n HIS 8 Cb 0.54 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 2js3 n HIS 8 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2js3 n HIS 9 N -0.33 0.00 -0.07 4.41 -0.00 -1.26 -5.09 115.22 112.89 2js3 n HIS 9 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.64 2js3 n HIS 9 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 2js3 n HIS 9 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2js3 h HIS 10 N 0.00 0.00 -2.28 4.41 3.86 -2.11 -3.50 115.15 115.52 2js3 h HIS 10 Ca 0.00 0.00 0.26 0.00 -1.16 0.00 0.00 60.37 59.47 2js3 h HIS 10 Cb 0.00 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.41 2js3 h HIS 10 CO 0.00 0.35 -0.34 0.43 0.86 0.00 0.00 177.93 179.22 2js3 n SER 11 N -4.66 -6.13 -0.73 2.45 7.64 -1.26 -5.04 113.62 105.89 2js3 n SER 11 Ca -0.08 1.03 0.10 0.00 1.01 0.00 0.00 58.87 60.92 2js3 n SER 11 Cb 0.25 -2.88 -0.03 0.00 -1.01 0.00 0.00 64.21 60.54 2js3 n SER 11 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2js3 n SER 12 N -3.24 -4.32 0.00 6.43 7.64 -1.26 -4.98 113.62 113.89 2js3 n SER 12 Ca 0.01 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.24 2js3 n SER 12 Cb 0.43 -2.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.40 2js3 n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2js3 n GLY 13 N -2.86 2.77 2.84 0.23 0.00 -1.26 -4.81 105.19 102.10 2js3 n GLY 13 Ca -0.00 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.09 2js3 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2js3 n ARG 14 N 0.00 -4.91 -2.08 1.61 1.74 -1.26 -4.97 116.66 106.79 2js3 n ARG 14 Ca 0.00 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.23 2js3 n ARG 14 Cb 0.00 -4.79 -0.03 0.00 -1.02 0.00 0.00 32.46 26.62 2js3 n ARG 14 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2js3 s GLU 15 N -5.76 4.29 -0.17 5.56 8.01 -1.26 -5.01 118.70 124.36 2js3 s GLU 15 Ca 0.35 2.19 0.01 0.00 0.01 0.00 0.00 54.97 57.54 2js3 s GLU 15 Cb -0.16 -3.19 0.02 0.00 -4.31 0.00 0.00 34.13 26.49 2js3 s GLU 15 CO 0.44 -0.46 -0.20 0.54 0.01 0.00 0.00 175.26 175.59 2js3 s ASN 16 N 0.89 3.05 -0.04 -0.19 4.22 -1.26 -5.11 114.94 116.50 2js3 s ASN 16 Ca 0.64 -0.61 0.02 0.00 -2.14 0.00 0.00 52.86 50.77 2js3 s ASN 16 Cb -0.40 -1.42 0.01 0.00 1.28 0.00 0.00 41.25 40.72 2js3 s ASN 16 CO 0.34 0.01 -0.10 -0.76 -2.04 0.00 0.00 177.10 174.55 2js3 s LEU 17 N 1.20 1.70 0.31 3.54 1.43 -1.26 -5.15 118.68 120.46 2js3 s LEU 17 Ca 0.02 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.96 2js3 s LEU 17 Cb -0.14 -0.66 -0.06 0.00 0.03 0.00 0.00 46.19 45.37 2js3 s LEU 17 CO -0.10 0.05 -0.04 -0.47 0.23 0.00 0.00 176.35 176.01 2js3 s TYR 18 N 0.41 2.12 0.31 0.29 5.04 -1.26 -5.02 117.35 119.23 2js3 s TYR 18 Ca -0.08 -0.68 0.37 0.00 -2.44 0.00 0.00 57.07 54.24 2js3 s TYR 18 Cb -0.12 -1.27 1.86 0.00 0.35 0.00 0.00 41.96 42.78 2js3 s TYR 18 CO 0.01 0.33 2.13 0.74 -1.34 0.00 0.00 175.55 177.43 2js3 h PHE 19 N 2.14 0.00 -2.01 4.97 -1.00 -2.01 -3.28 116.94 115.75 2js3 h PHE 19 Ca -0.41 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 59.77 2js3 h PHE 19 Cb 1.24 0.00 -0.11 0.00 3.61 0.00 0.00 35.95 40.69 2js3 h PHE 19 CO 0.69 0.00 1.07 -0.65 -1.61 0.00 0.00 178.31 177.81 2js3 s GLN 20 N -3.87 3.36 0.00 1.51 -0.21 -1.26 -4.44 119.66 114.75 2js3 s GLN 20 Ca -0.02 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.50 2js3 s GLN 20 Cb 0.11 -4.68 0.00 0.00 1.00 0.00 0.00 33.01 29.44 2js3 s GLN 20 CO 0.43 -2.05 0.00 0.41 -2.12 0.00 0.00 175.29 171.96 2js3 n GLY 21 N 5.88 1.75 4.58 3.09 0.00 -1.26 -4.99 105.19 114.23 2js3 n GLY 21 Ca 0.14 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2js3 n GLY 21 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2js3 n MET 22 N 0.00 0.00 0.00 1.61 2.81 -1.24 -4.74 117.12 115.57 2js3 n MET 22 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2js3 n MET 22 Cb 0.00 -0.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.91 2js3 n MET 22 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2js3 n THR 23 N 0.00 0.00 0.00 2.03 -1.04 -1.26 -2.75 114.28 111.26 2js3 n THR 23 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2js3 n THR 23 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2js3 n THR 23 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2js3 n ASP 24 N 2.84 0.00 0.00 8.00 2.03 -1.26 -4.95 116.55 123.21 2js3 n ASP 24 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 2js3 n ASP 24 Cb 0.00 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 40.66 2js3 n ASP 24 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2js3 n THR 25 N -0.38 0.80 -0.22 5.18 -1.04 -1.11 -2.89 114.28 114.61 2js3 n THR 25 Ca 0.00 0.20 0.10 0.00 -2.04 0.00 0.00 64.05 62.31 2js3 n THR 25 Cb 0.00 -1.02 0.38 0.00 -1.82 0.00 0.00 70.33 67.87 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 2.49 1.81 0.00 2.41 0.00 -1.93 0.18 119.26 124.22 2js3 h ALA 26 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 2js3 h ALA 26 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2js3 h ALA 26 CO 0.00 0.01 -0.59 0.00 0.00 0.00 0.00 179.25 178.67 2js3 h ALA 27 N 1.61 0.86 0.32 0.00 0.00 -1.91 -3.12 119.26 117.01 2js3 h ALA 27 Ca 0.38 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2js3 h ALA 27 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2js3 h ALA 27 CO -0.15 0.73 -0.15 1.49 0.00 0.00 0.00 179.25 181.17 2js3 h GLU 28 N 0.00 -0.42 0.00 0.00 4.22 -1.19 -3.12 114.58 114.07 2js3 h GLU 28 Ca -0.01 0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.44 2js3 h GLU 28 Cb 1.16 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2js3 h GLU 28 CO 0.08 -0.09 -0.11 -0.44 -2.18 0.00 0.00 179.01 176.27 2js3 h ASP 29 N -0.93 0.00 -0.23 1.04 5.19 -1.47 0.68 116.42 120.69 2js3 h ASP 29 Ca -0.04 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.28 2js3 h ASP 29 Cb 0.52 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.02 2js3 h ASP 29 CO 0.07 0.11 -0.20 0.58 -3.12 0.00 0.00 179.24 176.68 2js3 h VAL 30 N 0.00 1.32 -0.51 -1.35 2.07 -1.59 -0.82 116.25 115.36 2js3 h VAL 30 Ca -0.00 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.07 2js3 h VAL 30 Cb 0.37 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2js3 h VAL 30 CO 0.01 0.42 -0.07 0.03 0.02 0.00 0.00 177.57 177.99 2js3 h ARG 31 N 0.25 0.91 -0.38 1.57 3.08 -1.29 -2.21 114.38 116.31 2js3 h ARG 31 Ca 0.04 -0.30 0.07 0.00 0.07 0.00 0.00 59.98 59.86 2js3 h ARG 31 Cb 0.74 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.65 2js3 h ARG 31 CO 0.05 0.95 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.62 2js3 h LYS 32 N 0.83 0.03 -0.07 0.04 3.64 -0.73 0.35 116.57 120.65 2js3 h LYS 32 Ca 0.14 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.36 2js3 h LYS 32 Cb 0.58 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2js3 h LYS 32 CO 0.04 0.02 -0.67 -0.84 -2.27 0.00 0.00 179.45 175.73 2js3 h ILE 33 N 0.03 1.39 -0.13 2.00 3.07 -1.08 -3.10 117.51 119.69 2js3 h ILE 33 Ca 0.18 -2.09 -0.09 0.00 1.55 0.00 0.00 64.86 64.42 2js3 h ILE 33 Cb 0.27 2.07 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 2js3 h ILE 33 CO -0.36 0.62 -0.31 0.00 -1.05 0.00 0.00 178.15 177.04 2js3 h ALA 34 N 1.08 1.23 -0.31 0.16 0.00 -0.70 -2.82 119.26 117.90 2js3 h ALA 34 Ca -0.02 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2js3 h ALA 34 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2js3 h ALA 34 CO 0.11 0.52 0.22 1.15 0.00 0.00 0.00 179.25 181.24 2js3 h THR 35 N 0.22 0.88 -0.43 0.00 2.02 -0.26 -1.46 112.91 113.88 2js3 h THR 35 Ca 0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2js3 h THR 35 Cb 0.67 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2js3 h THR 35 CO 0.05 0.01 0.23 0.00 0.37 0.00 0.00 175.52 176.18 2js3 h ALA 36 N 1.84 0.56 0.00 6.16 0.00 -1.61 0.05 119.26 126.26 2js3 h ALA 36 Ca 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2js3 h ALA 36 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2js3 h ALA 36 CO -0.01 0.10 -0.32 1.37 0.00 0.00 0.00 179.25 180.39 2js3 h LEU 37 N 0.56 0.00 -0.73 0.00 8.10 -1.45 0.12 115.31 121.91 2js3 h LEU 37 Ca 0.15 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 58.04 2js3 h LEU 37 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.29 2js3 h LEU 37 CO -0.02 0.32 -0.47 -0.07 -4.11 0.00 0.00 178.44 174.08 2js3 h LEU 38 N 0.00 0.00 0.14 0.17 4.07 -0.99 -3.32 115.31 115.38 2js3 h LEU 38 Ca -0.00 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.62 2js3 h LEU 38 Cb 1.17 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2js3 h LEU 38 CO 0.04 0.47 -1.78 0.11 -1.08 0.00 0.00 178.44 176.21 2js3 h LYS 39 N 0.00 0.29 0.00 1.13 1.79 -0.63 -3.48 116.57 115.67 2js3 h LYS 39 Ca -0.00 -0.49 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2js3 h LYS 39 Cb 1.05 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2js3 h LYS 39 CO 0.06 1.24 0.00 0.25 -1.08 0.00 0.00 179.45 179.92 2js3 n THR 40 N -3.65 0.00 0.00 -0.16 -2.24 -0.00 -5.01 114.28 103.22 2js3 n THR 40 Ca -0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2js3 n THR 40 Cb 1.01 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.86 0.00 -1.68 6.98 0.00 -1.22 -4.87 120.51 116.87 2js3 n ALA 41 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.96 2js3 n ALA 41 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2js3 n ALA 41 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2js3 n ILE 42 N 0.00 0.44 -3.72 0.00 5.41 -1.26 -4.83 119.36 115.40 2js3 n ILE 42 Ca 0.00 -0.08 -0.20 0.00 1.00 0.00 0.00 62.75 63.47 2js3 n ILE 42 Cb 0.00 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 37.15 2js3 n ILE 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2js3 s GLU 43 N 3.34 2.87 -0.18 0.38 1.03 -1.16 -4.99 118.70 119.99 2js3 s GLU 43 Ca 0.90 -1.19 0.00 0.00 0.03 0.00 0.00 54.97 54.71 2js3 s GLU 43 Cb -0.71 -2.59 0.04 0.00 -0.80 0.00 0.00 34.13 30.06 2js3 s GLU 43 CO 0.49 0.10 -0.10 -1.50 -1.33 0.00 0.00 175.26 172.92 2js3 s ILE 44 N -2.25 1.52 -0.17 1.83 -1.16 -1.26 -1.31 121.20 118.40 2js3 s ILE 44 Ca 0.42 -0.84 -0.25 0.00 -0.51 0.00 0.00 60.65 59.47 2js3 s ILE 44 Cb -0.07 -1.57 -0.02 0.00 0.61 0.00 0.00 42.46 41.41 2js3 s ILE 44 CO 0.28 0.24 0.82 0.68 -2.81 0.00 0.00 174.94 174.15 2js3 s VAL 45 N 1.46 4.89 -0.41 4.00 -7.23 0.34 -4.89 120.40 118.57 2js3 s VAL 45 Ca 0.01 1.61 -0.20 0.00 -1.81 0.00 0.00 61.98 61.59 2js3 s VAL 45 Cb -0.15 -4.13 0.02 0.00 0.56 0.00 0.00 36.38 32.68 2js3 s VAL 45 CO -0.09 0.03 0.60 -0.44 -0.31 0.00 0.00 175.10 174.90 2js3 s SER 46 N 1.15 6.32 0.06 4.85 0.01 -1.26 -1.44 113.70 123.39 2js3 s SER 46 Ca 0.38 -0.26 -0.19 0.00 1.31 0.00 0.00 55.95 57.19 2js3 s SER 46 Cb -0.17 -2.30 -0.06 0.00 0.21 0.00 0.00 66.02 63.70 2js3 s SER 46 CO 0.12 -0.69 0.56 -1.61 0.41 0.00 0.00 173.24 172.03 2js3 s GLU 47 N 2.68 4.20 0.19 12.44 0.41 -0.22 -4.97 118.70 133.41 2js3 s GLU 47 Ca 0.21 0.71 -0.13 0.00 -0.41 0.00 0.00 54.97 55.35 2js3 s GLU 47 Cb -0.15 -3.25 0.20 0.00 -1.78 0.00 0.00 34.13 29.15 2js3 s GLU 47 CO 0.17 0.61 1.71 1.49 -0.49 0.00 0.00 175.26 178.75 2js3 h GLU 48 N 4.70 0.21 0.00 1.61 4.81 -1.97 -3.02 114.58 120.92 2js3 h GLU 48 Ca -0.49 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2js3 h GLU 48 Cb 1.21 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2js3 h GLU 48 CO 0.64 0.14 -0.81 -3.47 -0.73 0.00 0.00 179.01 174.78 2js3 n ASP 49 N -5.14 4.04 0.28 1.04 2.03 -1.26 -4.71 116.55 112.83 2js3 n ASP 49 Ca 0.06 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.53 2js3 n ASP 49 Cb 0.26 0.55 0.82 0.00 -0.72 0.00 0.00 41.12 42.02 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 -1.98 -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 -0.57 -3.07 3.71 4.60 0.00 -1.14 -4.90 105.19 103.83 2js3 n GLY 51 Ca -0.01 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.36 3.22 0.01 4.61 0.00 -1.26 -1.06 121.76 125.91 2js3 s ALA 52 Ca 0.00 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.58 2js3 s ALA 52 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2js3 s ALA 52 CO 0.00 -0.25 -0.05 -1.01 0.00 0.00 0.00 175.76 174.45 2js3 s HIS 53 N 0.91 0.42 -0.17 0.00 3.76 -0.52 -4.82 115.29 114.87 2js3 s HIS 53 Ca 0.53 -0.17 -0.15 0.00 -0.15 0.00 0.00 55.06 55.12 2js3 s HIS 53 Cb -0.23 -0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.15 2js3 s HIS 53 CO 0.29 -0.03 0.33 1.21 -0.85 0.00 0.00 174.74 175.69 2js3 s ASN 54 N -0.43 6.45 0.19 1.40 3.04 -1.24 -0.50 114.94 123.86 2js3 s ASN 54 Ca -0.01 0.53 0.11 0.00 0.04 0.00 0.00 52.86 53.52 2js3 s ASN 54 Cb -0.03 -2.20 -0.04 0.00 -1.54 0.00 0.00 41.25 37.43 2js3 s ASN 54 CO -0.00 0.05 -0.23 -1.58 -3.04 0.00 0.00 177.10 172.30 2js3 s GLN 55 N 0.69 1.48 0.31 0.43 0.74 -0.43 -3.27 119.66 119.61 2js3 s GLN 55 Ca 0.18 -1.51 0.07 0.00 0.05 0.00 0.00 55.36 54.14 2js3 s GLN 55 Cb -0.14 -1.75 -0.02 0.00 1.10 0.00 0.00 33.01 32.21 2js3 s GLN 55 CO 0.05 0.37 0.35 0.00 -0.55 0.00 0.00 175.29 175.51 2js3 s LYS 57 N -4.03 3.91 -0.02 0.00 1.02 -1.26 -4.74 119.74 114.63 2js3 s LYS 57 Ca 0.40 -2.60 -0.01 0.00 0.02 0.00 0.00 55.97 53.78 2js3 s LYS 57 Cb -0.08 -4.71 0.01 0.00 -0.52 0.00 0.00 37.83 32.52 2js3 s LYS 57 CO 0.28 -1.48 0.03 1.28 -0.92 0.00 0.00 175.35 174.54 2js3 n LEU 58 N 4.46 -3.36 0.00 3.17 4.32 -1.26 -4.84 117.00 119.49 2js3 n LEU 58 Ca 0.24 0.81 0.00 0.00 -0.02 0.00 0.00 56.01 57.04 2js3 n LEU 58 Cb 0.44 -1.69 0.00 0.00 -1.62 0.00 0.00 43.42 40.55 2js3 n LEU 58 CO 0.48 -1.02 0.00 0.00 -1.22 0.00 0.00 177.39 175.62 2js3 n GLY 60 N 0.00 0.34 3.26 0.00 0.00 -1.26 -4.75 105.19 102.78 2js3 n GLY 60 Ca 0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 2js3 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2js3 s ALA 61 N -2.45 1.55 0.06 4.61 0.00 -1.26 -5.13 121.76 119.13 2js3 s ALA 61 Ca 0.03 -1.46 -0.07 0.00 0.00 0.00 0.00 51.96 50.46 2js3 s ALA 61 Cb -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2js3 s ALA 61 CO 0.04 -0.02 0.14 -1.12 0.00 0.00 0.00 175.76 174.80 2js3 s SER 62 N -3.00 0.16 -0.11 0.00 0.01 -1.26 -3.69 113.70 105.80 2js3 s SER 62 Ca 0.15 -0.58 -0.14 0.00 1.31 0.00 0.00 55.95 56.69 2js3 s SER 62 Cb -0.00 0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.54 2js3 s SER 62 CO 0.02 -0.60 0.38 0.54 0.41 0.00 0.00 173.24 173.99 2js3 s VAL 63 N -3.13 0.01 0.18 3.43 0.11 -1.20 -5.05 120.40 114.74 2js3 s VAL 63 Ca -0.01 -0.11 -0.33 0.00 -2.93 0.00 0.00 61.98 58.60 2js3 s VAL 63 Cb 0.02 -0.57 -0.15 0.00 -1.53 0.00 0.00 36.38 34.15 2js3 s VAL 63 CO -0.07 -0.06 1.40 -2.65 -3.33 0.00 0.00 175.10 170.39 2js3 n PRO 64 N 2.44 1.75 0.00 1.54 -0.02 -1.26 -3.59 135.00 135.86 2js3 n PRO 64 Ca -0.15 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 62.00 2js3 n PRO 64 Cb 0.57 -2.28 0.20 0.00 -0.02 0.00 0.00 33.50 31.97 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 2.39 0.00 0.20 6.00 4.27 -1.26 -0.98 117.44 128.06 2js3 n TRP 65 Ca 0.15 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.81 2js3 n TRP 65 Cb 0.27 -0.40 0.42 0.00 -1.36 0.00 0.00 31.31 30.24 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 0.00 5.67 3.38 -1.98 -3.45 115.31 118.93 2js3 h LEU 66 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2js3 h LEU 66 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2js3 h LEU 66 CO 0.00 0.33 -0.00 0.00 0.09 0.00 0.00 178.44 178.86 2js3 n GLN 67 N -3.80 0.89 -2.58 1.13 6.02 -0.15 -5.12 117.38 113.78 2js3 n GLN 67 Ca -0.01 -0.19 -0.22 0.00 -0.01 0.00 0.00 57.00 56.56 2js3 n GLN 67 Cb 0.42 -0.02 0.07 0.00 1.02 0.00 0.00 30.24 31.72 2js3 n GLN 67 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2js3 s THR 68 N 0.62 2.43 0.09 5.09 -1.32 -1.26 -4.99 115.64 116.30 2js3 s THR 68 Ca 0.04 -0.60 0.03 0.00 -1.21 0.00 0.00 61.69 59.95 2js3 s THR 68 Cb -0.00 -2.83 -0.04 0.00 -1.51 0.00 0.00 72.50 68.11 2js3 s THR 68 CO 0.03 0.00 0.08 -0.83 -2.21 0.00 0.00 174.62 171.69 2js3 s GLY 69 N -4.55 2.00 -0.27 6.08 0.00 -1.26 -4.44 107.32 104.88 2js3 s GLY 69 Ca 0.61 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 44.30 2js3 s GLY 69 CO 0.41 -1.01 0.00 1.34 0.00 0.00 0.00 173.10 173.84 2js3 n ASP 70 N 0.41 -4.37 0.02 1.64 -0.08 -1.26 -4.85 116.55 108.06 2js3 n ASP 70 Ca -0.09 0.06 0.13 0.00 -1.51 0.00 0.00 54.79 53.38 2js3 n ASP 70 Cb 0.52 -2.09 0.54 0.00 2.34 0.00 0.00 41.12 42.43 2js3 n ASP 70 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2js3 n GLU 71 N -1.51 0.04 -3.52 -0.67 0.28 -1.26 -4.78 120.64 109.22 2js3 n GLU 71 Ca -0.03 0.08 -0.31 0.00 -0.16 0.00 0.00 57.16 56.74 2js3 n GLU 71 Cb 0.26 -1.55 -0.05 0.00 1.43 0.00 0.00 31.44 31.54 2js3 n GLU 71 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 2js3 s ILE 72 N -3.02 5.06 0.15 3.84 2.07 -1.26 -5.02 121.20 123.02 2js3 s ILE 72 Ca 0.12 0.18 -0.34 0.00 -1.41 0.00 0.00 60.65 59.20 2js3 s ILE 72 Cb 0.16 -3.65 -0.16 0.00 0.13 0.00 0.00 42.46 38.95 2js3 s ILE 72 CO 0.49 -0.08 1.24 0.29 -1.91 0.00 0.00 174.94 174.98 2js3 n LYS 73 N -0.21 1.24 -2.29 3.50 4.76 -1.26 -4.98 118.16 118.92 2js3 n LYS 73 Ca -0.01 0.44 -0.23 0.00 -2.87 0.00 0.00 58.31 55.65 2js3 n LYS 73 Cb 0.52 -2.00 0.13 0.00 -1.84 0.00 0.00 35.03 31.84 2js3 n LYS 73 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2js3 n HIS 74 N 1.87 -3.18 -4.38 2.13 8.25 -1.26 -4.99 115.22 113.64 2js3 n HIS 74 Ca 0.16 -1.52 -0.21 0.00 -0.26 0.00 0.00 57.72 55.88 2js3 n HIS 74 Cb 0.24 -0.73 -0.13 0.00 1.12 0.00 0.00 29.99 30.48 2js3 n HIS 74 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2js3 s ALA 75 N -3.32 1.35 -0.70 -1.41 0.00 -1.26 -5.02 121.76 111.39 2js3 s ALA 75 Ca 0.63 -0.93 0.26 0.00 0.00 0.00 0.00 51.96 51.92 2js3 s ALA 75 Cb -0.03 -0.21 0.81 0.00 0.00 0.00 0.00 23.12 23.69 2js3 s ALA 75 CO 0.42 0.26 1.77 -0.25 0.00 0.00 0.00 175.76 177.97 2js3 n ASP 76 N 1.74 0.84 0.19 0.00 8.00 -1.26 -2.96 116.55 123.10 2js3 n ASP 76 Ca -0.18 0.59 0.14 0.00 0.71 0.00 0.00 54.79 56.04 2js3 n ASP 76 Cb 0.54 -0.81 0.61 0.00 -0.02 0.00 0.00 41.12 41.45 2js3 n ASP 76 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2js3 h ASP 77 N 0.00 0.00 -3.41 -2.24 3.58 -1.99 -3.44 116.42 108.93 2js3 h ASP 77 Ca 0.00 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.86 2js3 h ASP 77 Cb 0.72 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 41.68 2js3 h ASP 77 CO 0.00 0.00 0.02 0.00 -2.88 0.00 0.00 179.24 176.38 2js3 h PRO 79 N 7.24 0.00 0.00 0.00 0.11 -1.90 -1.65 132.00 135.80 2js3 h PRO 79 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2js3 h PRO 79 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2js3 h PRO 79 CO 0.76 0.00 -0.11 -0.39 -0.21 0.00 0.00 178.00 178.05 2js3 h VAL 80 N 0.00 1.03 -0.04 3.15 -1.51 -1.89 -1.22 116.25 115.76 2js3 h VAL 80 Ca 0.00 -0.39 -0.07 0.00 -1.23 0.00 0.00 66.70 65.01 2js3 h VAL 80 Cb 0.03 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 2js3 h VAL 80 CO 0.00 0.11 -0.30 0.58 -1.23 0.00 0.00 177.57 176.73 2js3 h VAL 81 N 0.00 1.23 -0.35 7.19 2.07 -1.61 -2.58 116.25 122.20 2js3 h VAL 81 Ca -0.00 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2js3 h VAL 81 Cb 0.20 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 2js3 h VAL 81 CO 0.01 0.32 0.18 0.40 0.02 0.00 0.00 177.57 178.51 2js3 h ILE 82 N 0.07 1.15 -0.15 4.57 1.08 -1.39 -1.12 117.51 121.72 2js3 h ILE 82 Ca 0.01 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 64.11 2js3 h ILE 82 Cb 0.56 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 35.06 2js3 h ILE 82 CO 0.04 0.15 0.03 0.00 -0.69 0.00 0.00 178.15 177.68 2js3 h ALA 83 N 1.05 0.15 0.00 1.87 0.00 -1.40 0.13 119.26 121.06 2js3 h ALA 83 Ca 0.12 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2js3 h ALA 83 Cb 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2js3 h ALA 83 CO -0.02 -0.41 -0.37 1.57 0.00 0.00 0.00 179.25 180.02 2js3 h LYS 84 N 0.10 0.00 -0.30 0.00 2.10 -1.46 -2.27 116.57 114.73 2js3 h LYS 84 Ca 0.07 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.54 2js3 h LYS 84 Cb 0.06 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2js3 h LYS 84 CO -0.09 0.37 -0.51 0.37 -2.00 0.00 0.00 179.45 177.59 2js3 h GLN 85 N 0.00 0.86 -0.14 0.07 4.15 -0.49 -2.66 115.11 116.90 2js3 h GLN 85 Ca -0.00 -0.53 -0.01 0.00 0.77 0.00 0.00 58.65 58.88 2js3 h GLN 85 Cb 0.70 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 2js3 h GLN 85 CO 0.05 1.16 0.03 0.82 -1.93 0.00 0.00 178.83 178.97 2js3 h ILE 86 N 0.67 1.20 0.00 2.39 2.04 -0.38 0.45 117.51 123.88 2js3 h ILE 86 Ca 0.02 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 2js3 h ILE 86 Cb 1.11 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2js3 h ILE 86 CO 0.12 0.18 -0.02 0.17 0.00 0.00 0.00 178.15 178.60 2js3 h LEU 87 N 0.02 0.00 0.18 1.44 8.10 -1.48 -1.54 115.31 122.03 2js3 h LEU 87 Ca 0.04 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.71 2js3 h LEU 87 Cb 0.25 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.48 2js3 h LEU 87 CO 0.00 0.02 -1.54 -1.28 -4.11 0.00 0.00 178.44 171.53 2js3 h SER 88 N 0.00 0.59 -2.63 0.17 0.87 -1.15 -3.51 113.55 107.90 2js3 h SER 88 Ca -0.00 -0.74 0.08 0.00 -1.23 0.00 0.00 61.79 59.89 2js3 h SER 88 Cb 0.45 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2js3 h SER 88 CO 0.00 1.61 -0.10 -0.24 -0.53 0.00 0.00 176.83 177.57 2js3 n SER 89 N -3.58 -4.13 -2.84 6.23 2.88 0.16 -5.02 113.62 107.32 2js3 n SER 89 Ca -0.18 0.30 -0.07 0.00 -1.33 0.00 0.00 58.87 57.60 2js3 n SER 89 Cb 1.07 -0.85 0.01 0.00 -0.75 0.00 0.00 64.21 63.69 2js3 n SER 89 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2js3 n ARG 90 N -1.77 -2.19 -1.98 -1.46 0.63 -1.26 -4.88 116.66 103.75 2js3 n ARG 90 Ca 0.00 2.01 -0.42 0.00 -0.92 0.00 0.00 57.85 58.52 2js3 n ARG 90 Cb 0.13 -5.59 -0.03 0.00 0.45 0.00 0.00 32.46 27.42 2js3 n ARG 90 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2js3 s PRO 91 N -2.62 4.18 0.09 -0.14 0.02 -1.26 -4.98 135.00 130.28 2js3 s PRO 91 Ca 0.21 2.23 -0.19 0.00 0.02 0.00 0.00 61.00 63.28 2js3 s PRO 91 Cb -0.06 -3.95 0.04 0.00 0.02 0.00 0.00 34.50 30.55 2js3 s PRO 91 CO 0.75 -0.84 0.44 -1.59 -0.33 0.00 0.00 177.00 175.43 2js3 s LYS 92 N 3.90 1.03 -0.07 5.54 -2.85 -1.26 -5.09 119.74 120.93 2js3 s LYS 92 Ca 0.74 -0.48 -0.05 0.00 -1.00 0.00 0.00 55.97 55.18 2js3 s LYS 92 Cb -0.35 0.46 0.02 0.00 -2.06 0.00 0.00 37.83 35.90 2js3 s LYS 92 CO 0.31 -0.39 0.10 -0.11 0.10 0.00 0.00 175.35 175.36 2js3 n LEU 93 N 0.13 -4.43 -1.75 2.77 7.94 -1.26 -4.95 117.00 115.45 2js3 n LEU 93 Ca -0.17 1.41 -0.18 0.00 -1.11 0.00 0.00 56.01 55.95 2js3 n LEU 93 Cb 0.62 -2.29 0.12 0.00 0.53 0.00 0.00 43.42 42.39 2js3 n LEU 93 CO 0.18 -2.12 0.75 0.00 -1.11 0.00 0.00 177.39 175.10 2js3 n HIS 94 N 0.99 2.18 -2.19 1.96 1.44 -1.26 -4.98 115.22 113.36 2js3 n HIS 94 Ca -0.17 -2.13 -0.39 0.00 -2.01 0.00 0.00 57.72 53.01 2js3 n HIS 94 Cb 0.27 -0.70 -0.03 0.00 0.12 0.00 0.00 29.99 29.65 2js3 n HIS 94 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2js3 s ALA 95 N -3.49 2.36 0.00 1.59 0.00 -1.26 -5.29 121.76 115.67 2js3 s ALA 95 Ca 0.52 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2js3 s ALA 95 Cb 0.44 -4.28 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2js3 s ALA 95 CO 0.01 -3.68 0.22 0.28 0.00 0.00 0.00 175.76 172.59