#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2job s ALA 2 N 0.00 -0.27 0.00 -1.84 0.00 -1.26 -4.98 121.76 113.41 2job s ALA 2 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2job s ALA 2 Cb 0.00 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.17 2job s ALA 2 CO 0.00 -0.87 0.00 0.98 0.00 0.00 0.00 175.76 175.87 2job n TYR 3 N -0.40 0.00 -2.75 0.00 4.19 -1.26 -4.82 117.16 112.12 2job n TYR 3 Ca -0.02 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 60.79 2job n TYR 3 Cb 0.62 0.00 -0.05 0.00 0.49 0.00 0.00 39.34 40.39 2job n TYR 3 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 2job s VAL 4 N 0.00 4.26 0.02 2.97 1.01 -1.26 -5.06 120.40 122.34 2job s VAL 4 Ca 0.00 2.07 -0.00 0.00 0.00 0.00 0.00 61.98 64.05 2job s VAL 4 Cb 0.00 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2job s VAL 4 CO 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 175.10 175.50 2job s GLN 5 N -0.70 0.35 0.33 2.72 0.00 -1.26 -5.04 119.66 116.06 2job s GLN 5 Ca 0.43 -0.69 0.20 0.00 -0.00 0.00 0.00 55.36 55.30 2job s GLN 5 Cb -0.25 0.12 0.17 0.00 0.00 0.00 0.00 33.01 33.06 2job s GLN 5 CO 0.31 -0.06 1.45 0.78 0.00 0.00 0.00 175.29 177.77 2job h GLY 6 N 4.46 0.00 0.99 2.60 0.00 -2.01 -3.33 103.07 105.79 2job h GLY 6 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2job h GLY 6 CO 0.44 0.00 0.25 1.49 0.00 0.00 0.00 176.54 178.72 2job h TRP 7 N 0.00 0.50 -0.91 5.60 4.06 -1.99 -1.29 115.95 121.92 2job h TRP 7 Ca -0.01 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2job h TRP 7 Cb 1.18 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 29.13 2job h TRP 7 CO 0.00 0.33 0.55 1.49 -3.56 0.00 0.00 178.44 177.25 2job h GLU 8 N 0.52 1.24 -0.71 0.49 4.81 -2.00 -0.91 114.58 118.01 2job h GLU 8 Ca 0.14 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 2job h GLU 8 Cb -0.03 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.06 2job h GLU 8 CO -0.03 0.87 0.25 0.00 -0.73 0.00 0.00 179.01 179.36 2job h ALA 9 N 1.35 0.92 -0.69 2.92 0.00 -1.58 -1.28 119.26 120.90 2job h ALA 9 Ca 0.33 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2job h ALA 9 Cb -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 2job h ALA 9 CO -0.06 0.58 0.17 0.28 0.00 0.00 0.00 179.25 180.22 2job h VAL 10 N 1.03 1.26 -0.75 0.00 2.07 -0.59 -2.08 116.25 117.19 2job h VAL 10 Ca 0.23 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2job h VAL 10 Cb 0.26 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2job h VAL 10 CO -0.01 0.37 0.27 0.00 0.02 0.00 0.00 177.57 178.21 2job h ALA 11 N 1.13 1.05 -0.67 1.67 0.00 -0.73 -1.68 119.26 120.02 2job h ALA 11 Ca 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2job h ALA 11 Cb 0.37 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2job h ALA 11 CO 0.00 0.65 0.27 0.00 0.00 0.00 0.00 179.25 180.17 2job h ALA 12 N 1.18 0.87 -0.72 0.00 0.00 -0.83 -1.30 119.26 118.47 2job h ALA 12 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2job h ALA 12 Cb 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2job h ALA 12 CO -0.01 0.50 0.30 0.00 0.00 0.00 0.00 179.25 180.03 2job h ALA 13 N 1.12 0.94 -0.76 0.00 0.00 -1.00 -1.25 119.26 118.31 2job h ALA 13 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2job h ALA 13 Cb 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2job h ALA 13 CO -0.02 0.55 0.32 0.28 0.00 0.00 0.00 179.25 180.38 2job h VAL 14 N 1.03 1.25 -0.68 0.00 2.07 -0.92 -1.79 116.25 117.22 2job h VAL 14 Ca 0.24 -0.77 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 2job h VAL 14 Cb 0.20 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2job h VAL 14 CO -0.02 0.31 0.21 0.00 0.02 0.00 0.00 177.57 178.10 2job h ALA 15 N 1.16 1.10 -0.70 1.67 0.00 -0.80 -1.98 119.26 119.72 2job h ALA 15 Ca 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2job h ALA 15 Cb 0.18 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2job h ALA 15 CO -0.02 0.62 0.33 1.03 0.00 0.00 0.00 179.25 181.21 2job h SER 16 N 1.00 0.93 0.03 0.00 0.87 -0.69 -2.13 113.55 113.56 2job h SER 16 Ca 0.22 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.58 2job h SER 16 Cb 0.28 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2job h SER 16 CO -0.01 0.80 -0.18 0.50 -0.53 0.00 0.00 176.83 177.42 2job h LYS 17 N 0.98 0.28 -0.29 2.24 3.64 -0.91 -2.54 116.57 119.98 2job h LYS 17 Ca 0.24 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2job h LYS 17 Cb 0.13 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2job h LYS 17 CO -0.03 0.46 0.06 0.82 -2.27 0.00 0.00 179.45 178.49 2job h ILE 18 N 0.26 1.23 -0.84 2.00 1.08 -0.73 -0.41 117.51 120.09 2job h ILE 18 Ca 0.05 -0.76 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 2job h ILE 18 Cb 0.47 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 2job h ILE 18 CO 0.03 0.25 0.46 0.58 -0.69 0.00 0.00 178.15 178.78 2job h VAL 19 N 0.30 1.25 0.00 1.67 2.07 -1.22 0.21 116.25 120.52 2job h VAL 19 Ca 0.09 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2job h VAL 19 Cb 0.32 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2job h VAL 19 CO 0.00 0.27 0.00 1.23 0.02 0.00 0.00 177.57 179.10 2job h GLY 20 N 1.17 0.00 -0.14 2.17 0.00 -1.29 -3.28 103.07 101.71 2job h GLY 20 Ca 0.30 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2job h GLY 20 CO -0.05 0.00 -0.07 -0.10 0.00 0.00 0.00 176.54 176.32 2job n LEU 21 N -2.98 2.34 -4.80 3.11 7.94 -0.18 -5.03 117.00 117.41 2job n LEU 21 Ca 0.03 -3.14 -0.38 0.00 -1.11 0.00 0.00 56.01 51.40 2job n LEU 21 Cb 0.43 -0.43 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 2job n LEU 21 CO 0.31 0.78 0.21 0.86 -1.11 0.00 0.00 177.39 178.43 2job s TRP 22 N -2.86 3.72 0.00 1.96 -0.00 0.67 -4.71 118.94 117.71 2job s TRP 22 Ca 0.32 1.12 0.00 0.00 -0.00 0.00 0.00 56.10 57.54 2job s TRP 22 Cb 0.29 -2.46 0.00 0.00 -0.00 0.00 0.00 33.47 31.30 2job s TRP 22 CO 0.02 0.51 0.00 -2.13 -0.00 0.00 0.00 176.95 175.35 2job n ARG 23 N 2.19 1.04 -0.30 5.86 3.00 -0.17 -4.96 116.66 123.33 2job n ARG 23 Ca -0.10 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.88 2job n ARG 23 Cb 0.51 0.00 0.31 0.00 0.00 0.00 0.00 32.46 33.28 2job n ARG 23 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2job h ASN 24 N 0.00 0.06 -0.01 6.15 2.35 -1.98 -3.32 115.58 118.83 2job h ASN 24 Ca 0.00 0.19 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 2job h ASN 24 Cb 0.00 0.25 -0.16 0.00 0.05 0.00 0.00 38.32 38.46 2job h ASN 24 CO 0.00 -0.15 -0.35 -1.84 -1.65 0.00 0.00 177.43 173.45 2job n GLU 25 N -5.20 0.46 -3.97 0.81 -0.00 -1.26 -4.85 120.64 106.62 2job n GLU 25 Ca 0.22 -1.18 -0.09 0.00 -0.00 0.00 0.00 57.16 56.11 2job n GLU 25 Cb 0.71 0.40 -0.10 0.00 -0.00 0.00 0.00 31.44 32.44 2job n GLU 25 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2job s LYS 26 N -0.06 0.45 0.23 3.44 2.36 -1.25 -3.81 119.74 121.09 2job s LYS 26 Ca 0.05 -0.71 -0.16 0.00 -2.55 0.00 0.00 55.97 52.59 2job s LYS 26 Cb 0.17 0.17 0.02 0.00 -1.05 0.00 0.00 37.83 37.13 2job s LYS 26 CO -0.05 -0.09 0.54 -0.08 1.55 0.00 0.00 175.35 177.22 2job s THR 27 N -2.11 0.01 -0.07 3.43 -1.32 -0.46 -1.00 115.64 114.11 2job s THR 27 Ca -0.10 -1.03 -0.02 0.00 -1.21 0.00 0.00 61.69 59.34 2job s THR 27 Cb -0.05 -1.86 0.03 0.00 -1.51 0.00 0.00 72.50 69.12 2job s THR 27 CO -0.03 -0.07 0.02 -1.61 -2.21 0.00 0.00 174.62 170.72 2job s GLU 28 N -3.93 0.45 -0.23 7.08 8.01 -1.26 -0.07 118.70 128.75 2job s GLU 28 Ca 0.14 0.13 -0.06 0.00 0.01 0.00 0.00 54.97 55.19 2job s GLU 28 Cb -0.02 -0.97 -0.02 0.00 -4.31 0.00 0.00 34.13 28.82 2job s GLU 28 CO 0.03 -0.34 0.02 -0.51 0.01 0.00 0.00 175.26 174.47 2job s LEU 29 N 2.01 3.21 -1.48 1.80 1.43 -0.09 -4.54 118.68 121.02 2job s LEU 29 Ca 0.05 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2job s LEU 29 Cb -0.13 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2job s LEU 29 CO -0.05 -0.01 0.12 -0.11 0.23 0.00 0.00 176.35 176.52 2job n LEU 30 N 4.77 -1.76 0.00 1.79 7.94 -1.26 -0.45 117.00 128.03 2job n LEU 30 Ca -0.17 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 2job n LEU 30 Cb 0.51 -2.64 0.00 0.00 0.53 0.00 0.00 43.42 41.82 2job n LEU 30 CO 0.30 -0.10 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 2job n GLY 31 N -1.03 2.12 3.79 -3.96 0.00 -1.26 -5.02 105.19 99.82 2job n GLY 31 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 2job n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2job s HIS 32 N -2.47 3.82 0.20 1.61 3.76 0.41 -5.02 115.29 117.59 2job s HIS 32 Ca 0.00 1.55 -0.30 0.00 -0.15 0.00 0.00 55.06 56.16 2job s HIS 32 Cb 0.00 -2.72 -0.08 0.00 1.11 0.00 0.00 32.58 30.89 2job s HIS 32 CO 0.00 0.45 1.21 -1.21 -0.85 0.00 0.00 174.74 174.34 2job s GLU 33 N -1.43 4.49 0.19 1.40 2.02 -1.26 -0.91 118.70 123.19 2job s GLU 33 Ca 0.38 1.91 -0.01 0.00 0.02 0.00 0.00 54.97 57.27 2job s GLU 33 Cb -0.21 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.76 2job s GLU 33 CO 0.24 -0.08 0.10 0.00 0.02 0.00 0.00 175.26 175.54 2job s LYS 35 N -4.11 1.51 -0.05 0.00 2.47 0.73 -1.36 119.74 118.94 2job s LYS 35 Ca 0.34 -0.26 0.07 0.00 -1.56 0.00 0.00 55.97 54.56 2job s LYS 35 Cb 0.07 -1.54 -0.01 0.00 -1.46 0.00 0.00 37.83 34.89 2job s LYS 35 CO 0.09 -0.23 -0.25 0.12 0.16 0.00 0.00 175.35 175.24 2job s PHE 36 N 1.59 2.35 0.02 4.03 2.19 -1.25 -0.65 117.98 126.27 2job s PHE 36 Ca 0.03 -0.62 -0.01 0.00 0.33 0.00 0.00 56.93 56.66 2job s PHE 36 Cb -0.13 -1.54 -0.02 0.00 -1.31 0.00 0.00 43.02 40.02 2job s PHE 36 CO -0.07 -0.16 -0.02 0.95 1.83 0.00 0.00 175.22 177.75 2job s THR 37 N -0.29 0.12 -0.05 0.12 -4.23 0.14 -3.99 115.64 107.45 2job s THR 37 Ca 0.01 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 2job s THR 37 Cb -0.12 -0.40 0.02 0.00 1.34 0.00 0.00 72.50 73.34 2job s THR 37 CO 0.02 -0.54 -0.07 -0.69 -0.54 0.00 0.00 174.62 172.80 2job s VAL 38 N -1.70 0.72 -0.10 2.29 1.01 -1.26 -0.74 120.40 120.61 2job s VAL 38 Ca -0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2job s VAL 38 Cb -0.08 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.64 2job s VAL 38 CO -0.02 0.27 0.14 -0.54 0.00 0.00 0.00 175.10 174.95 2job s LYS 39 N 0.89 0.04 0.62 2.72 1.02 0.74 -4.97 119.74 120.78 2job s LYS 39 Ca -0.11 0.40 -0.13 0.00 0.02 0.00 0.00 55.97 56.14 2job s LYS 39 Cb -0.15 -0.65 -0.03 0.00 -0.52 0.00 0.00 37.83 36.48 2job s LYS 39 CO 0.01 -0.41 1.04 -1.25 -0.92 0.00 0.00 175.35 173.82 2job s PRO 40 N 2.26 3.39 0.00 -1.68 0.04 -1.26 -2.69 135.00 135.06 2job s PRO 40 Ca 0.04 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2job s PRO 40 Cb -0.13 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2job s PRO 40 CO -0.07 -0.74 0.00 0.66 0.04 0.00 0.00 177.00 176.90 2job n TYR 41 N -2.47 0.00 -3.96 0.56 4.01 -0.01 -4.90 117.16 110.40 2job n TYR 41 Ca 0.07 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.70 2job n TYR 41 Cb 0.54 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.44 2job n TYR 41 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2job s LEU 42 N 0.00 2.11 0.52 7.72 2.96 -1.26 -2.18 118.68 128.54 2job s LEU 42 Ca 0.00 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2job s LEU 42 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 46.19 46.69 2job s LEU 42 CO 0.00 -0.11 0.19 -0.75 -1.32 0.00 0.00 176.35 174.36 2job s LYS 43 N -0.65 2.22 0.37 1.98 2.47 0.69 -4.95 119.74 121.87 2job s LYS 43 Ca -0.06 -2.19 0.21 0.00 -1.56 0.00 0.00 55.97 52.36 2job s LYS 43 Cb -0.05 -1.81 1.32 0.00 -1.46 0.00 0.00 37.83 35.84 2job s LYS 43 CO -0.00 -0.45 1.59 0.00 0.16 0.00 0.00 175.35 176.65 2job h ARG 44 N 1.10 0.05 -0.11 4.03 -0.00 -2.04 -3.16 114.38 114.25 2job h ARG 44 Ca -0.41 -0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 58.85 2job h ARG 44 Cb 1.30 -0.01 -0.18 0.00 0.00 0.00 0.00 29.97 31.08 2job h ARG 44 CO 0.67 0.03 -0.44 0.34 0.00 0.00 0.00 179.97 180.57 2job n PHE 45 N -5.19 -1.92 -3.54 3.04 7.35 -1.26 -5.14 117.46 110.80 2job n PHE 45 Ca 0.37 -1.96 -0.16 0.00 -0.76 0.00 0.00 57.45 54.94 2job n PHE 45 Cb 1.26 1.35 -0.06 0.00 0.35 0.00 0.00 39.48 42.39 2job n PHE 45 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2job s GLN 46 N -0.26 0.91 -0.12 -4.13 -1.52 -1.19 -5.15 119.66 108.18 2job s GLN 46 Ca 0.20 0.23 -0.10 0.00 -1.95 0.00 0.00 55.36 53.74 2job s GLN 46 Cb 0.41 0.43 -0.05 0.00 -0.22 0.00 0.00 33.01 33.59 2job s GLN 46 CO -0.09 -0.28 0.20 0.08 -0.25 0.00 0.00 175.29 174.95 2job s VAL 47 N -1.14 5.39 0.23 1.09 1.01 -1.26 -0.22 120.40 125.49 2job s VAL 47 Ca -0.08 0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.34 2job s VAL 47 Cb -0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2job s VAL 47 CO 0.07 0.55 -0.16 -0.31 0.00 0.00 0.00 175.10 175.25 2job s TYR 48 N -0.58 1.89 -0.07 5.22 2.02 -0.93 -4.96 117.35 119.94 2job s TYR 48 Ca 0.15 -0.50 0.04 0.00 -0.37 0.00 0.00 57.07 56.39 2job s TYR 48 Cb -0.13 -0.86 0.00 0.00 -0.40 0.00 0.00 41.96 40.58 2job s TYR 48 CO 0.04 0.47 -0.19 0.71 -1.57 0.00 0.00 175.55 175.01 2job s TYR 49 N -2.80 1.99 0.08 2.71 1.51 -1.25 -0.83 117.35 118.76 2job s TYR 49 Ca 0.25 -0.72 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 2job s TYR 49 Cb -0.02 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 2job s TYR 49 CO 0.09 -0.30 -0.07 0.21 -1.11 0.00 0.00 175.55 174.37 2job s LYS 50 N 0.34 0.76 -0.06 -0.62 2.20 -1.09 -1.02 119.74 120.25 2job s LYS 50 Ca -0.13 -1.18 -0.18 0.00 -0.36 0.00 0.00 55.97 54.13 2job s LYS 50 Cb -0.15 -0.25 0.04 0.00 -1.51 0.00 0.00 37.83 35.95 2job s LYS 50 CO 0.05 0.01 0.40 0.20 -0.36 0.00 0.00 175.35 175.65 2job s GLY 51 N -2.63 -0.27 0.00 5.54 0.00 0.38 -0.19 107.32 110.16 2job s GLY 51 Ca 0.06 0.71 -0.02 0.00 0.00 0.00 0.00 44.72 45.47 2job s GLY 51 CO -0.03 0.48 0.03 0.50 0.00 0.00 0.00 173.10 174.08 2job s ARG 52 N -0.93 0.22 0.02 2.90 0.52 0.08 -1.39 118.95 120.37 2job s ARG 52 Ca -0.10 -0.28 -0.06 0.00 -0.52 0.00 0.00 55.73 54.77 2job s ARG 52 Cb -0.04 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.51 2job s ARG 52 CO 0.04 -0.04 0.11 0.00 0.02 0.00 0.00 175.30 175.43 2job s MET 53 N -0.79 0.51 -0.03 3.54 0.23 -0.09 -0.69 119.30 121.99 2job s MET 53 Ca -0.09 -0.56 -0.24 0.00 -1.03 0.00 0.00 55.69 53.78 2job s MET 53 Cb -0.05 0.21 0.05 0.00 -1.53 0.00 0.00 34.83 33.50 2job s MET 53 CO -0.00 -0.12 0.53 1.67 -2.03 0.00 0.00 175.02 175.06 2job s TRP 54 N -1.87 -0.46 -0.61 3.16 -2.14 0.17 -1.51 118.94 115.68 2job s TRP 54 Ca -0.11 0.74 -0.02 0.00 2.66 0.00 0.00 56.10 59.37 2job s TRP 54 Cb -0.05 0.29 0.16 0.00 -3.10 0.00 0.00 33.47 30.76 2job s TRP 54 CO -0.01 -0.54 0.41 0.00 -2.66 0.00 0.00 176.95 174.16 2job s PRO 56 N -0.09 3.63 0.00 0.00 0.04 -1.26 -3.55 135.00 133.77 2job s PRO 56 Ca 0.17 -1.47 0.00 0.00 0.04 0.00 0.00 61.00 59.74 2job s PRO 56 Cb -0.21 -5.42 0.00 0.00 0.04 0.00 0.00 34.50 28.92 2job s PRO 56 CO -0.03 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 174.99 2job n GLY 57 N 6.14 1.44 0.09 0.56 0.00 -1.26 -4.95 105.19 107.21 2job n GLY 57 Ca 0.41 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 2job n GLY 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2job h TRP 58 N 0.00 -0.09 -1.18 1.61 7.01 -1.79 -3.50 115.95 118.01 2job h TRP 58 Ca 0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2job h TRP 58 Cb 0.00 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 2job h TRP 58 CO 0.00 0.40 0.00 -2.37 -2.79 0.00 0.00 178.44 173.68 2job n THR 59 N -4.79 0.00 -2.36 2.65 5.66 -1.24 -5.07 114.28 109.13 2job n THR 59 Ca -0.06 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.66 2job n THR 59 Cb 0.26 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.04 2job n THR 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2job n ALA 60 N -3.00 5.19 -2.41 1.79 0.00 -1.26 -4.60 120.51 116.22 2job n ALA 60 Ca 0.00 -4.23 -0.30 0.00 0.00 0.00 0.00 53.44 48.91 2job n ALA 60 Cb 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 19.45 18.68 2job n ALA 60 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2job s ILE 61 N -5.37 2.45 0.11 0.00 1.01 -1.26 -5.08 121.20 113.05 2job s ILE 61 Ca 0.49 -1.43 0.01 0.00 0.00 0.00 0.00 60.65 59.72 2job s ILE 61 Cb 0.41 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2job s ILE 61 CO -0.18 0.26 -0.03 0.00 0.00 0.00 0.00 174.94 175.00 2job s ARG 62 N -1.60 0.86 -0.03 2.79 1.70 -1.26 -3.70 118.95 117.70 2job s ARG 62 Ca 0.14 -1.37 0.01 0.00 -0.47 0.00 0.00 55.73 54.04 2job s ARG 62 Cb -0.10 -0.06 0.02 0.00 -0.57 0.00 0.00 34.95 34.24 2job s ARG 62 CO 0.05 -0.10 -0.03 0.20 -1.08 0.00 0.00 175.30 174.34 2job s GLY 63 N -3.04 0.35 0.21 3.88 0.00 -0.57 -4.40 107.32 103.74 2job s GLY 63 Ca 0.15 -0.01 0.08 0.00 0.00 0.00 0.00 44.72 44.93 2job s GLY 63 CO -0.03 0.36 -0.14 -0.54 0.00 0.00 0.00 173.10 172.75 2job s GLU 64 N 0.74 1.34 -0.18 2.90 8.01 -1.26 -0.92 118.70 129.34 2job s GLU 64 Ca -0.09 -1.60 -0.30 0.00 0.01 0.00 0.00 54.97 52.99 2job s GLU 64 Cb -0.12 -1.13 0.14 0.00 -4.31 0.00 0.00 34.13 28.71 2job s GLU 64 CO -0.00 0.18 1.10 0.00 0.01 0.00 0.00 175.26 176.54 2job s ALA 65 N -2.97 -1.98 -0.03 5.21 0.00 -0.49 -4.51 121.76 116.98 2job s ALA 65 Ca 0.23 1.60 -0.06 0.00 0.00 0.00 0.00 51.96 53.74 2job s ALA 65 Cb -0.01 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.42 2job s ALA 65 CO 0.07 -0.37 0.14 -1.12 0.00 0.00 0.00 175.76 174.48 2job s SER 66 N -1.37 -0.08 -0.18 0.00 0.01 -1.26 -0.47 113.70 110.35 2job s SER 66 Ca 0.03 0.11 -0.32 0.00 1.31 0.00 0.00 55.95 57.08 2job s SER 66 Cb -0.01 0.26 0.14 0.00 0.21 0.00 0.00 66.02 66.63 2job s SER 66 CO -0.02 -0.16 1.14 0.28 0.41 0.00 0.00 173.24 174.89 2job s THR 67 N -0.43 0.00 0.37 1.44 -1.32 -0.19 -4.98 115.64 110.54 2job s THR 67 Ca -0.05 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.50 2job s THR 67 Cb -0.03 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.25 2job s THR 67 CO 0.01 0.00 1.96 0.03 -2.21 0.00 0.00 174.62 174.41 2job h ARG 68 N 2.15 0.68 -6.80 7.08 2.47 -1.94 -3.31 114.38 114.72 2job h ARG 68 Ca -0.13 -0.04 -0.53 0.00 -1.26 0.00 0.00 59.98 58.02 2job h ARG 68 Cb 1.18 -0.15 0.08 0.00 -1.65 0.00 0.00 29.97 29.42 2job h ARG 68 CO 0.26 0.45 0.83 -1.12 0.56 0.00 0.00 179.97 180.95 2job s SER 69 N -6.22 6.47 -0.02 7.04 0.01 -1.26 -4.77 113.70 114.95 2job s SER 69 Ca -0.09 2.86 -0.16 0.00 1.31 0.00 0.00 55.95 59.86 2job s SER 69 Cb 0.19 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 2job s SER 69 CO 0.77 -0.83 0.73 1.56 0.41 0.00 0.00 173.24 175.88 2job h GLN 70 N 4.73 -0.56 0.00 12.44 7.50 -2.00 -2.80 115.11 134.43 2job h GLN 70 Ca -0.47 0.04 -0.12 0.00 0.50 0.00 0.00 58.65 58.60 2job h GLN 70 Cb 1.22 0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.86 2job h GLN 70 CO 0.77 -0.37 -0.57 1.03 -1.50 0.00 0.00 178.83 178.20 2job h SER 71 N -1.02 0.00 -0.98 1.46 0.87 -1.96 -3.11 113.55 108.81 2job h SER 71 Ca -0.06 0.00 0.05 0.00 -1.23 0.00 0.00 61.79 60.55 2job h SER 71 Cb 0.44 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 2job h SER 71 CO 0.10 0.57 0.64 1.23 -0.53 0.00 0.00 176.83 178.83 2job h GLY 72 N 2.02 1.44 1.46 5.77 0.00 -1.95 -1.28 103.07 110.53 2job h GLY 72 Ca -0.01 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 2job h GLY 72 CO 0.07 0.39 -0.03 -0.24 0.00 0.00 0.00 176.54 176.74 2job h VAL 73 N 1.21 1.23 -0.55 4.60 3.04 -1.42 -1.40 116.25 122.96 2job h VAL 73 Ca 0.40 -0.95 -0.11 0.00 -1.01 0.00 0.00 66.70 65.03 2job h VAL 73 Cb 0.06 0.95 -0.02 0.00 -2.01 0.00 0.00 31.29 30.27 2job h VAL 73 CO -0.13 0.33 -0.09 0.00 -1.01 0.00 0.00 177.57 176.67 2job h ALA 74 N 1.35 0.79 -0.19 3.17 0.00 -1.33 -0.61 119.26 122.44 2job h ALA 74 Ca 0.12 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 2job h ALA 74 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2job h ALA 74 CO 0.02 0.67 -0.39 0.78 0.00 0.00 0.00 179.25 180.33 2job h GLY 75 N 0.95 0.46 0.99 0.00 0.00 -1.07 -2.41 103.07 101.99 2job h GLY 75 Ca 0.15 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 2job h GLY 75 CO 0.05 0.40 -0.35 0.50 0.00 0.00 0.00 176.54 177.14 2job h LYS 76 N 0.35 0.72 -0.85 4.80 1.79 -0.95 0.83 116.57 123.26 2job h LYS 76 Ca 0.03 -0.41 -0.03 0.00 -2.18 0.00 0.00 60.65 58.06 2job h LYS 76 Cb 0.84 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.48 2job h LYS 76 CO 0.07 1.03 0.40 1.15 -1.08 0.00 0.00 179.45 181.02 2job h THR 77 N 0.46 1.26 -0.11 -0.16 2.02 -1.01 0.16 112.91 115.53 2job h THR 77 Ca 0.03 -0.75 -0.20 0.00 0.77 0.00 0.00 66.41 66.27 2job h THR 77 Cb 0.93 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2job h THR 77 CO 0.08 0.32 -0.75 0.00 0.37 0.00 0.00 175.52 175.54 2job h ALA 78 N 1.22 0.48 -0.49 6.16 0.00 -1.37 -2.80 119.26 122.45 2job h ALA 78 Ca 0.29 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 2job h ALA 78 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2job h ALA 78 CO -0.04 0.73 -0.13 -0.22 0.00 0.00 0.00 179.25 179.60 2job h LYS 79 N 0.38 0.92 -0.64 0.00 3.11 -0.39 -2.07 116.57 117.88 2job h LYS 79 Ca -0.04 -0.34 -0.04 0.00 -2.81 0.00 0.00 60.65 57.42 2job h LYS 79 Cb 1.35 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.49 2job h LYS 79 CO 0.14 0.99 0.25 -0.44 -2.81 0.00 0.00 179.45 177.59 2job h ASP 80 N 0.82 0.89 -0.59 4.20 5.19 -0.66 -0.87 116.42 125.40 2job h ASP 80 Ca 0.13 -0.17 -0.08 0.00 -0.62 0.00 0.00 57.03 56.28 2job h ASP 80 Cb 0.66 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 2job h ASP 80 CO 0.05 0.82 0.05 0.15 -3.12 0.00 0.00 179.24 177.19 2job h PHE 81 N 0.91 1.10 -0.38 4.55 3.57 -1.32 -1.96 116.94 123.41 2job h PHE 81 Ca 0.21 -0.17 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 2job h PHE 81 Cb 0.21 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 2job h PHE 81 CO 0.01 0.96 -0.11 0.28 -2.23 0.00 0.00 178.31 177.22 2job h VAL 82 N 0.92 1.25 -0.53 1.41 2.07 -1.09 -1.41 116.25 118.87 2job h VAL 82 Ca 0.17 -1.11 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 2job h VAL 82 Cb 0.49 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2job h VAL 82 CO 0.02 0.37 -0.08 -0.09 0.02 0.00 0.00 177.57 177.81 2job h ARG 83 N 0.60 0.99 -0.35 1.57 2.43 -0.89 -1.17 114.38 117.56 2job h ARG 83 Ca 0.11 -0.36 -0.12 0.00 -0.81 0.00 0.00 59.98 58.80 2job h ARG 83 Cb 0.55 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 2job h ARG 83 CO 0.03 1.03 -0.27 -0.22 -1.51 0.00 0.00 179.97 179.03 2job h LYS 84 N 0.86 0.72 -0.23 0.20 1.63 -1.12 -1.83 116.57 116.80 2job h LYS 84 Ca 0.14 -0.31 -0.12 0.00 -0.85 0.00 0.00 60.65 59.51 2job h LYS 84 Cb 0.64 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 2job h LYS 84 CO 0.04 0.91 -0.37 0.00 -3.45 0.00 0.00 179.45 176.58 2job h ALA 85 N 1.08 0.93 -0.20 5.00 0.00 -1.07 -2.90 119.26 122.09 2job h ALA 85 Ca 0.08 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.42 2job h ALA 85 Cb 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2job h ALA 85 CO 0.06 0.62 -0.52 0.35 0.00 0.00 0.00 179.25 179.77 2job h PHE 86 N 0.43 0.70 0.00 0.00 3.04 -1.01 0.64 116.94 120.73 2job h PHE 86 Ca 0.04 -0.24 -0.03 0.00 3.98 0.00 0.00 57.97 61.73 2job h PHE 86 Cb 0.84 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.22 2job h PHE 86 CO 0.03 0.96 -0.14 0.37 -2.02 0.00 0.00 178.31 177.52 2job h GLN 87 N 0.44 0.00 0.00 1.11 4.15 -1.16 -3.27 115.11 116.37 2job h GLN 87 Ca 0.01 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 2job h GLN 87 Cb 1.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 2job h GLN 87 CO 0.10 0.14 -1.14 1.63 -1.93 0.00 0.00 178.83 177.63 2job n LYS 88 N -4.24 0.52 0.00 1.69 4.01 -1.11 -5.04 118.16 114.00 2job n LYS 88 Ca -0.02 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 2job n LYS 88 Cb 0.21 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 33.09 2job n LYS 88 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2job n GLY 89 N 1.48 -0.07 0.81 0.72 0.00 0.11 -5.09 105.19 103.15 2job n GLY 89 Ca -0.23 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2job n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2job n LEU 90 N 0.00 0.79 -4.51 0.99 4.77 -0.54 -4.99 117.00 113.50 2job n LEU 90 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2job n LEU 90 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 2job n LEU 90 CO 0.00 0.04 0.08 -0.63 -1.33 0.00 0.00 177.39 175.56 2job s ILE 91 N -1.90 5.12 0.45 -0.08 1.01 -1.25 -5.01 121.20 119.53 2job s ILE 91 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 2job s ILE 91 Cb 0.00 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2job s ILE 91 CO 0.00 -0.28 0.70 -0.44 0.00 0.00 0.00 174.94 174.92 2job s SER 92 N 1.77 5.98 0.05 3.58 0.01 -1.26 -4.59 113.70 119.25 2job s SER 92 Ca 0.12 0.51 -0.27 0.00 1.31 0.00 0.00 55.95 57.63 2job s SER 92 Cb -0.17 -1.81 -0.17 0.00 0.21 0.00 0.00 66.02 64.08 2job s SER 92 CO 0.13 -0.64 1.48 -0.61 0.41 0.00 0.00 173.24 174.01 2job h GLN 93 N 0.35 -0.41 -0.66 12.44 4.15 -1.98 -1.67 115.11 127.33 2job h GLN 93 Ca -0.47 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.96 2job h GLN 93 Cb 1.24 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.99 2job h GLN 93 CO 0.60 -0.17 0.36 1.96 -1.93 0.00 0.00 178.83 179.64 2job h GLN 94 N -0.59 0.92 -0.85 1.69 7.50 -2.00 -2.28 115.11 119.51 2job h GLN 94 Ca -0.04 -0.11 0.02 0.00 0.50 0.00 0.00 58.65 59.02 2job h GLN 94 Cb 0.43 -0.18 -0.05 0.00 0.05 0.00 0.00 27.48 27.73 2job h GLN 94 CO 0.07 0.70 0.55 0.93 -1.50 0.00 0.00 178.83 179.58 2job h GLU 95 N 0.90 1.07 -0.80 1.46 4.39 -1.94 -1.17 114.58 118.48 2job h GLU 95 Ca 0.23 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2job h GLU 95 Cb 0.05 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.42 2job h GLU 95 CO -0.04 0.71 0.33 0.00 -1.16 0.00 0.00 179.01 178.85 2job h ALA 96 N 1.33 1.03 -0.73 3.43 0.00 -0.93 -1.92 119.26 121.47 2job h ALA 96 Ca 0.33 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2job h ALA 96 Cb -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 2job h ALA 96 CO -0.09 0.65 0.21 -0.91 0.00 0.00 0.00 179.25 179.10 2job h ASN 97 N 1.15 1.08 -0.76 0.00 -0.26 -0.80 -0.86 115.58 115.12 2job h ASN 97 Ca 0.27 -0.21 -0.04 0.00 -0.56 0.00 0.00 56.30 55.75 2job h ASN 97 Cb 0.20 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 2job h ASN 97 CO -0.02 1.02 0.30 1.56 -1.06 0.00 0.00 177.43 179.22 2job h GLN 98 N 1.10 1.15 -0.31 0.81 1.08 -0.82 -1.67 115.11 116.45 2job h GLN 98 Ca 0.23 -0.21 -0.12 0.00 -1.45 0.00 0.00 58.65 57.10 2job h GLN 98 Cb 0.33 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 2job h GLN 98 CO -0.00 0.93 -0.30 2.35 -0.95 0.00 0.00 178.83 180.86 2job h TRP 99 N 1.11 0.76 -0.05 2.96 7.01 -1.01 -2.86 115.95 123.86 2job h TRP 99 Ca 0.25 -0.19 -0.07 0.00 2.11 0.00 0.00 58.89 60.99 2job h TRP 99 Cb 0.22 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 2job h TRP 99 CO 0.02 0.88 -0.31 -0.07 -2.79 0.00 0.00 178.44 176.17 2job h LEU 100 N 0.56 0.10 -0.88 0.65 3.38 -0.71 -2.99 115.31 115.42 2job h LEU 100 Ca 0.07 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2job h LEU 100 Cb 0.80 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 2job h LEU 100 CO 0.07 0.41 0.52 0.28 0.09 0.00 0.00 178.44 179.81 2job h SER 101 N 0.09 0.77 0.00 -0.43 0.02 -1.07 -3.51 113.55 109.41 2job h SER 101 Ca 0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2job h SER 101 Cb 0.60 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2job h SER 101 CO 0.04 0.44 0.00 -1.20 -1.14 0.00 0.00 176.83 174.97