#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2job n ALA 2 N 0.00 2.45 -3.62 4.31 0.00 -1.26 -5.10 120.51 117.30 2job n ALA 2 Ca 0.00 -1.82 -0.04 0.00 0.00 0.00 0.00 53.44 51.58 2job n ALA 2 Cb 0.00 -0.90 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 2job n ALA 2 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2job s TYR 3 N -1.24 -0.96 0.28 0.00 6.14 -1.26 -5.18 117.35 115.14 2job s TYR 3 Ca 0.20 1.83 0.11 0.00 0.64 0.00 0.00 57.07 59.84 2job s TYR 3 Cb 0.41 0.57 -0.05 0.00 0.42 0.00 0.00 41.96 43.31 2job s TYR 3 CO -0.07 -0.47 -0.17 0.14 0.64 0.00 0.00 175.55 175.61 2job s VAL 4 N 1.89 2.32 -0.26 3.14 -7.23 -1.26 -5.04 120.40 113.96 2job s VAL 4 Ca -0.08 -2.34 -0.07 0.00 -1.81 0.00 0.00 61.98 57.67 2job s VAL 4 Cb -0.06 -2.32 -0.13 0.00 0.56 0.00 0.00 36.38 34.43 2job s VAL 4 CO -0.18 -0.39 -0.29 1.67 -0.31 0.00 0.00 175.10 175.59 2job n GLN 5 N -0.61 0.57 0.02 4.82 0.00 -1.26 -4.94 117.38 115.98 2job n GLN 5 Ca -0.05 0.20 0.00 0.00 -0.00 0.00 0.00 57.00 57.15 2job n GLN 5 Cb 0.61 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.40 2job n GLN 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2job n GLY 6 N 1.74 -1.91 0.19 1.69 0.00 -1.26 -4.94 105.19 100.69 2job n GLY 6 Ca -0.48 0.54 0.05 0.00 0.00 0.00 0.00 46.02 46.13 2job n GLY 6 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2job h TRP 7 N 0.00 0.00 -0.54 1.61 4.06 -2.00 -2.81 115.95 116.27 2job h TRP 7 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2job h TRP 7 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 2job h TRP 7 CO 0.00 0.37 0.36 0.93 -3.56 0.00 0.00 178.44 176.53 2job h GLU 8 N 0.00 0.70 -0.52 0.49 4.39 -1.95 -0.96 114.58 116.74 2job h GLU 8 Ca -0.00 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.55 2job h GLU 8 Cb 0.75 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2job h GLU 8 CO 0.05 0.46 -0.08 0.00 -1.16 0.00 0.00 179.01 178.28 2job h ALA 9 N 1.67 0.70 -0.79 3.43 0.00 -1.86 -1.35 119.26 121.06 2job h ALA 9 Ca 0.20 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2job h ALA 9 Cb -0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 2job h ALA 9 CO -0.04 0.59 0.32 0.28 0.00 0.00 0.00 179.25 180.40 2job h VAL 10 N 0.83 1.26 -0.67 0.00 2.07 -1.34 -1.80 116.25 116.60 2job h VAL 10 Ca 0.14 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 2job h VAL 10 Cb 0.63 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2job h VAL 10 CO 0.04 0.33 0.23 0.00 0.02 0.00 0.00 177.57 178.19 2job h ALA 11 N 1.21 0.87 -0.83 1.67 0.00 -0.91 -2.01 119.26 119.25 2job h ALA 11 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2job h ALA 11 Cb 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2job h ALA 11 CO -0.02 0.53 0.53 0.00 0.00 0.00 0.00 179.25 180.29 2job h ALA 12 N 1.10 1.05 -0.63 0.00 0.00 -0.69 0.17 119.26 120.25 2job h ALA 12 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2job h ALA 12 Cb 0.27 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2job h ALA 12 CO -0.01 0.48 0.31 0.00 0.00 0.00 0.00 179.25 180.03 2job h ALA 13 N 1.29 0.82 -0.58 0.00 0.00 -0.97 0.21 119.26 120.03 2job h ALA 13 Ca 0.30 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2job h ALA 13 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2job h ALA 13 CO -0.06 0.37 0.02 0.28 0.00 0.00 0.00 179.25 179.86 2job h VAL 14 N 0.87 1.26 -0.59 0.00 2.07 -0.72 -1.67 116.25 117.47 2job h VAL 14 Ca 0.22 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.56 2job h VAL 14 Cb 0.10 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2job h VAL 14 CO -0.03 0.40 0.06 0.00 0.02 0.00 0.00 177.57 178.03 2job h ALA 15 N 0.98 1.01 -0.66 1.67 0.00 -0.21 -1.85 119.26 120.20 2job h ALA 15 Ca 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2job h ALA 15 Cb 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2job h ALA 15 CO 0.03 0.62 0.20 1.03 0.00 0.00 0.00 179.25 181.13 2job h SER 16 N 0.91 0.94 0.15 0.00 0.87 -0.27 -2.10 113.55 114.05 2job h SER 16 Ca 0.18 -0.17 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 2job h SER 16 Cb 0.44 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 2job h SER 16 CO 0.01 0.89 -0.30 0.50 -0.53 0.00 0.00 176.83 177.40 2job h LYS 17 N 0.98 0.24 -0.06 2.24 1.63 -0.87 -2.39 116.57 118.34 2job h LYS 17 Ca 0.22 -0.09 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 2job h LYS 17 Cb 0.29 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 2job h LYS 17 CO -0.01 0.53 0.03 0.82 -3.45 0.00 0.00 179.45 177.37 2job h ILE 18 N 0.21 1.07 -0.83 2.00 1.08 -0.66 -0.68 117.51 119.71 2job h ILE 18 Ca 0.03 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.27 2job h ILE 18 Cb 0.65 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 2job h ILE 18 CO 0.05 0.06 0.44 0.58 -0.69 0.00 0.00 178.15 178.59 2job h VAL 19 N 0.01 1.24 -0.23 1.67 2.07 -1.33 -0.37 116.25 119.32 2job h VAL 19 Ca 0.02 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.85 2job h VAL 19 Cb 0.07 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2job h VAL 19 CO -0.00 0.28 -0.15 1.23 0.02 0.00 0.00 177.57 178.94 2job h GLY 20 N 1.18 0.41 -3.33 2.17 0.00 -1.08 -2.97 103.07 99.45 2job h GLY 20 Ca 0.29 -0.28 -0.48 0.00 0.00 0.00 0.00 47.33 46.86 2job h GLY 20 CO -0.04 0.26 -0.11 -0.10 0.00 0.00 0.00 176.54 176.54 2job n LEU 21 N -4.21 5.50 -4.77 3.11 7.94 -0.29 -5.01 117.00 119.27 2job n LEU 21 Ca -0.00 -4.33 -0.36 0.00 -1.11 0.00 0.00 56.01 50.22 2job n LEU 21 Cb 0.32 -0.61 -0.08 0.00 0.53 0.00 0.00 43.42 43.58 2job n LEU 21 CO 0.40 1.67 -0.22 0.86 -1.11 0.00 0.00 177.39 178.99 2job s TRP 22 N -3.56 3.40 0.00 1.96 -0.00 -0.21 -4.08 118.94 116.45 2job s TRP 22 Ca 0.53 0.34 0.00 0.00 -0.00 0.00 0.00 56.10 56.97 2job s TRP 22 Cb 0.44 -1.95 0.00 0.00 -0.00 0.00 0.00 33.47 31.96 2job s TRP 22 CO 0.01 0.51 0.00 -2.13 -0.00 0.00 0.00 176.95 175.35 2job n ARG 23 N 2.49 1.67 -0.35 5.86 0.63 0.72 -4.96 116.66 122.72 2job n ARG 23 Ca -0.19 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 56.87 2job n ARG 23 Cb 0.54 0.00 0.32 0.00 0.45 0.00 0.00 32.46 33.77 2job n ARG 23 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2job h ASN 24 N 0.00 0.77 -0.01 6.15 2.35 -1.99 -3.33 115.58 119.52 2job h ASN 24 Ca 0.00 0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 2job h ASN 24 Cb 0.00 -0.04 -0.16 0.00 0.05 0.00 0.00 38.32 38.17 2job h ASN 24 CO 0.00 0.27 -0.34 -1.84 -1.65 0.00 0.00 177.43 173.87 2job n GLU 25 N -4.77 0.64 -3.69 0.81 0.28 -1.26 -4.79 120.64 107.86 2job n GLU 25 Ca 0.23 -1.21 -0.14 0.00 -0.16 0.00 0.00 57.16 55.89 2job n GLU 25 Cb 0.57 0.38 -0.09 0.00 1.43 0.00 0.00 31.44 33.73 2job n GLU 25 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2job s LYS 26 N -0.07 0.63 0.06 3.44 2.47 -1.19 -3.34 119.74 121.75 2job s LYS 26 Ca 0.06 0.63 -0.07 0.00 -1.56 0.00 0.00 55.97 55.03 2job s LYS 26 Cb 0.22 0.31 -0.01 0.00 -1.46 0.00 0.00 37.83 36.89 2job s LYS 26 CO -0.06 -0.09 0.15 -0.08 0.16 0.00 0.00 175.35 175.42 2job s THR 27 N 0.09 0.14 -0.25 3.43 -1.32 -0.89 -0.20 115.64 116.64 2job s THR 27 Ca -0.01 -1.16 -0.10 0.00 -1.21 0.00 0.00 61.69 59.21 2job s THR 27 Cb -0.03 -1.17 -0.05 0.00 -1.51 0.00 0.00 72.50 69.74 2job s THR 27 CO 0.01 -0.64 0.15 -1.61 -2.21 0.00 0.00 174.62 170.32 2job s GLU 28 N -3.30 3.96 -0.28 7.08 2.02 -1.26 -0.30 118.70 126.62 2job s GLU 28 Ca 0.01 -0.32 -0.07 0.00 0.02 0.00 0.00 54.97 54.61 2job s GLU 28 Cb 0.03 -3.52 -0.00 0.00 0.10 0.00 0.00 34.13 30.73 2job s GLU 28 CO -0.08 -0.04 0.07 -0.51 0.02 0.00 0.00 175.26 174.72 2job s LEU 29 N 1.33 3.68 -1.63 1.80 1.43 -0.24 -4.51 118.68 120.53 2job s LEU 29 Ca 0.07 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2job s LEU 29 Cb -0.15 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.20 2job s LEU 29 CO 0.06 -0.14 0.13 -0.11 0.23 0.00 0.00 176.35 176.52 2job n LEU 30 N 4.87 -1.97 0.00 1.79 7.94 -1.26 -0.85 117.00 127.52 2job n LEU 30 Ca -0.15 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 2job n LEU 30 Cb 0.49 -2.82 0.00 0.00 0.53 0.00 0.00 43.42 41.61 2job n LEU 30 CO 0.31 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.09 2job n GLY 31 N -1.09 1.58 3.94 -3.96 0.00 -1.26 -5.04 105.19 99.36 2job n GLY 31 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.69 3.29 -0.15 1.61 3.76 -0.03 -5.05 115.29 116.02 2job s HIS 32 Ca 0.00 0.38 -0.17 0.00 -0.15 0.00 0.00 55.06 55.12 2job s HIS 32 Cb 0.00 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 2job s HIS 32 CO 0.00 -0.40 0.46 -1.21 -0.85 0.00 0.00 174.74 172.74 2job s GLU 33 N -4.64 4.27 0.34 1.40 8.01 -1.26 -1.07 118.70 125.75 2job s GLU 33 Ca 0.49 0.37 0.04 0.00 0.01 0.00 0.00 54.97 55.88 2job s GLU 33 Cb -0.10 -3.48 -0.06 0.00 -4.31 0.00 0.00 34.13 26.18 2job s GLU 33 CO 0.40 0.07 0.06 0.00 0.01 0.00 0.00 175.26 175.79 2job s LYS 35 N -3.87 1.28 -0.10 0.00 2.20 0.95 -2.09 119.74 118.11 2job s LYS 35 Ca 0.35 -1.67 0.01 0.00 -0.36 0.00 0.00 55.97 54.30 2job s LYS 35 Cb 0.08 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 2job s LYS 35 CO 0.15 -0.95 -0.11 0.12 -0.36 0.00 0.00 175.35 174.20 2job s PHE 36 N 1.09 2.84 0.25 4.03 5.36 -1.21 -1.30 117.98 129.04 2job s PHE 36 Ca 0.11 -0.30 -0.09 0.00 -0.96 0.00 0.00 56.93 55.68 2job s PHE 36 Cb -0.19 -1.77 -0.01 0.00 -0.34 0.00 0.00 43.02 40.72 2job s PHE 36 CO -0.13 0.05 0.42 0.99 -1.46 0.00 0.00 175.22 175.10 2job s THR 37 N -0.22 0.00 -0.03 0.12 2.01 -0.13 -3.15 115.64 114.23 2job s THR 37 Ca 0.02 -1.54 0.03 0.00 0.31 0.00 0.00 61.69 60.51 2job s THR 37 Cb -0.13 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.05 2job s THR 37 CO 0.03 0.00 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.14 2job s VAL 38 N -3.88 1.08 -0.44 3.82 1.01 -1.26 -1.50 120.40 119.24 2job s VAL 38 Ca 0.27 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.75 2job s VAL 38 Cb 0.01 -0.94 0.15 0.00 0.00 0.00 0.00 36.38 35.59 2job s VAL 38 CO 0.11 0.32 0.27 -0.54 0.00 0.00 0.00 175.10 175.27 2job s LYS 39 N 0.14 1.14 0.61 2.72 1.02 0.14 -4.95 119.74 120.56 2job s LYS 39 Ca -0.04 -1.98 -0.12 0.00 0.02 0.00 0.00 55.97 53.86 2job s LYS 39 Cb -0.10 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.16 2job s LYS 39 CO 0.01 -1.23 1.02 -1.25 -0.92 0.00 0.00 175.35 172.99 2job s PRO 40 N 0.32 3.61 0.49 -1.68 0.04 -1.26 -3.19 135.00 133.33 2job s PRO 40 Ca 0.21 0.81 0.01 0.00 0.04 0.00 0.00 61.00 62.07 2job s PRO 40 Cb -0.17 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 2job s PRO 40 CO -0.05 -0.56 0.05 0.66 0.04 0.00 0.00 177.00 177.14 2job n TYR 41 N -2.57 0.85 -3.79 0.56 4.01 0.48 -4.90 117.16 111.81 2job n TYR 41 Ca 0.06 -2.64 -0.13 0.00 -0.16 0.00 0.00 57.90 55.03 2job n TYR 41 Cb 0.54 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 39.24 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 1.05 0.36 7.72 2.96 -1.26 -2.25 118.68 127.26 2job s LEU 42 Ca 0.07 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 2job s LEU 42 Cb 0.00 1.03 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 2job s LEU 42 CO 0.05 -0.32 0.16 -0.75 -1.32 0.00 0.00 176.35 174.17 2job s LYS 43 N -0.90 1.77 0.37 1.98 2.20 0.16 -4.96 119.74 120.36 2job s LYS 43 Ca -0.10 -2.05 0.19 0.00 -0.36 0.00 0.00 55.97 53.66 2job s LYS 43 Cb -0.05 -0.29 1.25 0.00 -1.51 0.00 0.00 37.83 37.22 2job s LYS 43 CO 0.02 -0.48 1.62 0.00 -0.36 0.00 0.00 175.35 176.15 2job h ARG 44 N 2.01 0.15 -0.01 4.03 2.47 -2.06 -3.13 114.38 117.84 2job h ARG 44 Ca -0.33 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.23 2job h ARG 44 Cb 1.26 -0.03 -0.23 0.00 -1.65 0.00 0.00 29.97 29.31 2job h ARG 44 CO 0.52 0.10 -0.59 1.97 0.56 0.00 0.00 179.97 182.53 2job n PHE 45 N -5.10 -0.04 -3.78 3.04 -1.74 -1.26 -5.11 117.46 103.48 2job n PHE 45 Ca 0.35 -0.57 -0.13 0.00 -0.56 0.00 0.00 57.45 56.55 2job n PHE 45 Cb 1.17 0.27 -0.13 0.00 1.52 0.00 0.00 39.48 42.32 2job n PHE 45 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 2job s GLN 46 N -0.07 0.18 -0.22 3.97 -0.21 -1.18 -5.14 119.66 116.99 2job s GLN 46 Ca 0.14 0.33 -0.02 0.00 0.02 0.00 0.00 55.36 55.83 2job s GLN 46 Cb 0.17 -0.00 0.01 0.00 1.00 0.00 0.00 33.01 34.18 2job s GLN 46 CO -0.07 -0.08 -0.08 0.08 -2.12 0.00 0.00 175.29 173.02 2job s VAL 47 N 0.56 2.93 0.18 1.09 1.01 -1.26 0.39 120.40 125.29 2job s VAL 47 Ca -0.04 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.17 2job s VAL 47 Cb -0.05 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2job s VAL 47 CO -0.03 0.36 0.34 -0.31 0.00 0.00 0.00 175.10 175.46 2job s TYR 48 N 1.38 3.48 -0.08 5.22 2.02 -0.95 -4.83 117.35 123.60 2job s TYR 48 Ca 0.04 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 2job s TYR 48 Cb -0.15 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 2job s TYR 48 CO -0.06 0.45 -0.13 0.71 -1.57 0.00 0.00 175.55 174.95 2job s TYR 49 N -1.81 1.57 0.09 2.71 1.51 0.11 -0.38 117.35 121.14 2job s TYR 49 Ca 0.36 -0.62 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2job s TYR 49 Cb -0.11 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 2job s TYR 49 CO 0.29 -0.32 -0.07 0.21 -1.11 0.00 0.00 175.55 174.54 2job s LYS 50 N 0.77 0.77 -0.03 -0.62 2.20 -1.19 -0.59 119.74 121.04 2job s LYS 50 Ca -0.12 -1.19 -0.14 0.00 -0.36 0.00 0.00 55.97 54.15 2job s LYS 50 Cb -0.16 -0.26 0.02 0.00 -1.51 0.00 0.00 37.83 35.93 2job s LYS 50 CO 0.02 0.01 0.31 0.20 -0.36 0.00 0.00 175.35 175.53 2job s GLY 51 N -2.67 -0.16 -0.03 5.54 0.00 0.04 0.24 107.32 110.28 2job s GLY 51 Ca 0.07 0.42 -0.04 0.00 0.00 0.00 0.00 44.72 45.16 2job s GLY 51 CO -0.03 0.23 0.11 0.50 0.00 0.00 0.00 173.10 173.91 2job s ARG 52 N -1.04 0.23 -0.01 2.90 1.81 -0.56 -0.97 118.95 121.31 2job s ARG 52 Ca -0.11 -0.05 -0.13 0.00 -1.72 0.00 0.00 55.73 53.72 2job s ARG 52 Cb -0.05 0.10 0.02 0.00 -0.45 0.00 0.00 34.95 34.57 2job s ARG 52 CO 0.03 -0.04 0.28 0.00 -0.68 0.00 0.00 175.30 174.89 2job s MET 53 N -0.43 0.64 -0.06 3.54 0.23 0.16 -0.96 119.30 122.42 2job s MET 53 Ca -0.05 -0.25 -0.30 0.00 -1.03 0.00 0.00 55.69 54.06 2job s MET 53 Cb -0.03 0.28 0.09 0.00 -1.53 0.00 0.00 34.83 33.64 2job s MET 53 CO 0.00 -0.17 0.81 1.67 -2.03 0.00 0.00 175.02 175.30 2job s TRP 54 N -1.41 -0.51 -0.60 3.16 -2.14 -0.42 -1.02 118.94 116.00 2job s TRP 54 Ca -0.13 0.77 -0.04 0.00 2.66 0.00 0.00 56.10 59.35 2job s TRP 54 Cb -0.05 0.45 0.16 0.00 -3.10 0.00 0.00 33.47 30.93 2job s TRP 54 CO 0.03 -0.53 0.43 0.00 -2.66 0.00 0.00 176.95 174.22 2job s PRO 56 N 0.22 3.02 0.00 0.00 0.04 -1.26 -3.21 135.00 133.81 2job s PRO 56 Ca 0.15 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.42 2job s PRO 56 Cb -0.20 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.12 2job s PRO 56 CO -0.04 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.49 2job n GLY 57 N 6.70 3.27 0.08 0.56 0.00 -1.26 -4.97 105.19 109.56 2job n GLY 57 Ca 0.38 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.05 -1.99 1.61 7.01 -1.83 -3.48 115.95 117.22 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 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 2job h TRP 58 CO 0.00 0.47 0.00 -2.37 -2.79 0.00 0.00 178.44 173.75 2job n THR 59 N -4.86 0.00 -3.01 2.65 5.66 -1.22 -5.08 114.28 108.42 2job n THR 59 Ca -0.09 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.63 2job n THR 59 Cb 0.28 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.01 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 4.66 -2.88 1.79 0.00 -1.26 -4.62 120.51 115.20 2job n ALA 60 Ca 0.00 -4.72 -0.11 0.00 0.00 0.00 0.00 53.44 48.61 2job n ALA 60 Cb 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 19.45 18.48 2job n ALA 60 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2job s ILE 61 N -4.09 0.34 0.09 0.00 2.07 -1.26 -5.13 121.20 113.22 2job s ILE 61 Ca 0.47 -1.04 0.03 0.00 -1.41 0.00 0.00 60.65 58.69 2job s ILE 61 Cb 0.25 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 42.30 2job s ILE 61 CO -0.11 -0.46 -0.09 0.00 -1.91 0.00 0.00 174.94 172.37 2job s ARG 62 N -1.64 0.79 0.04 3.50 3.03 -1.26 -4.00 118.95 119.41 2job s ARG 62 Ca -0.12 -1.15 0.01 0.00 2.03 0.00 0.00 55.73 56.50 2job s ARG 62 Cb -0.09 -0.39 -0.03 0.00 -1.03 0.00 0.00 34.95 33.41 2job s ARG 62 CO -0.01 0.05 -0.06 0.20 -1.13 0.00 0.00 175.30 174.35 2job s GLY 63 N -2.50 0.44 0.12 3.88 0.00 -0.19 -4.80 107.32 104.26 2job s GLY 63 Ca 0.05 -0.78 -0.20 0.00 0.00 0.00 0.00 44.72 43.79 2job s GLY 63 CO -0.01 -0.85 0.49 -1.83 0.00 0.00 0.00 173.10 170.91 2job s GLU 64 N -1.85 1.13 -0.02 2.90 4.04 -1.26 -0.66 118.70 122.97 2job s GLU 64 Ca -0.09 -0.51 -0.10 0.00 0.04 0.00 0.00 54.97 54.31 2job s GLU 64 Cb -0.08 0.51 0.01 0.00 0.02 0.00 0.00 34.13 34.59 2job s GLU 64 CO -0.01 -0.45 0.20 0.00 -1.84 0.00 0.00 175.26 173.16 2job s ALA 65 N -3.44 -0.50 -0.00 -0.84 0.00 -0.15 -4.62 121.76 112.21 2job s ALA 65 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2job s ALA 65 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2job s ALA 65 CO -0.10 -0.21 -0.02 -1.12 0.00 0.00 0.00 175.76 174.31 2job s SER 66 N -1.13 0.30 0.00 0.00 0.01 -1.26 -0.78 113.70 110.84 2job s SER 66 Ca -0.12 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2job s SER 66 Cb -0.06 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.12 2job s SER 66 CO 0.02 0.02 0.00 1.07 0.41 0.00 0.00 173.24 174.76 2job n THR 67 N 3.11 0.00 -0.04 1.44 5.66 0.24 -5.01 114.28 119.69 2job n THR 67 Ca -0.14 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 60.89 2job n THR 67 Cb 0.58 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.20 2job n THR 67 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2job n ARG 68 N 0.00 0.67 -1.49 1.09 0.00 -1.26 0.06 116.66 115.73 2job n ARG 68 Ca 0.00 -0.13 -0.35 0.00 -0.00 0.00 0.00 57.85 57.38 2job n ARG 68 Cb 0.00 -1.52 0.09 0.00 0.00 0.00 0.00 32.46 31.03 2job n ARG 68 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2job s SER 69 N -4.89 4.25 -0.18 6.15 0.01 -1.26 -4.61 113.70 113.18 2job s SER 69 Ca -0.09 2.41 -0.14 0.00 1.31 0.00 0.00 55.95 59.44 2job s SER 69 Cb 0.11 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.67 2job s SER 69 CO 0.88 -2.23 -0.15 1.67 0.41 0.00 0.00 173.24 173.82 2job n GLN 70 N -2.57 0.51 0.07 12.44 7.27 -1.26 -4.10 117.38 129.73 2job n GLN 70 Ca 0.14 0.45 -0.05 0.00 0.07 0.00 0.00 57.00 57.61 2job n GLN 70 Cb 0.50 -1.63 -0.08 0.00 2.41 0.00 0.00 30.24 31.43 2job n GLN 70 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2job h SER 71 N -1.00 0.00 -0.50 1.69 4.64 -2.01 -3.33 113.55 113.04 2job h SER 71 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2job h SER 71 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 2job h SER 71 CO -0.09 0.86 0.33 1.23 -0.87 0.00 0.00 176.83 178.29 2job h GLY 72 N 3.20 0.71 1.06 -0.77 0.00 -1.98 -2.26 103.07 103.03 2job h GLY 72 Ca -0.04 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.06 2job h GLY 72 CO 0.11 0.26 0.55 -0.24 0.00 0.00 0.00 176.54 177.22 2job h VAL 73 N 0.68 1.14 -0.16 4.60 3.04 -1.71 0.14 116.25 123.97 2job h VAL 73 Ca 0.18 -0.36 -0.02 0.00 -1.01 0.00 0.00 66.70 65.50 2job h VAL 73 Cb -0.07 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.21 2job h VAL 73 CO -0.04 0.19 0.02 0.00 -1.01 0.00 0.00 177.57 176.74 2job h ALA 74 N 1.51 0.22 -0.77 3.17 0.00 -1.57 0.05 119.26 121.87 2job h ALA 74 Ca 0.33 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2job h ALA 74 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2job h ALA 74 CO -0.10 -0.12 0.28 0.78 0.00 0.00 0.00 179.25 180.10 2job h GLY 75 N 0.05 1.25 1.01 0.00 0.00 -0.95 -2.31 103.07 102.12 2job h GLY 75 Ca 0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 2job h GLY 75 CO 0.00 0.66 0.29 0.50 0.00 0.00 0.00 176.54 177.99 2job h LYS 76 N 1.13 0.97 -0.77 4.80 1.57 -0.50 0.46 116.57 124.24 2job h LYS 76 Ca 0.25 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2job h LYS 76 Cb 0.25 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 2job h LYS 76 CO -0.02 0.80 0.39 1.15 -0.57 0.00 0.00 179.45 181.20 2job h THR 77 N 0.92 1.24 0.02 -0.16 2.02 -0.62 0.30 112.91 116.64 2job h THR 77 Ca 0.22 -0.65 -0.24 0.00 0.77 0.00 0.00 66.41 66.51 2job h THR 77 Cb 0.17 0.26 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 2job h THR 77 CO -0.02 0.28 -1.02 0.00 0.37 0.00 0.00 175.52 175.13 2job h ALA 78 N 1.20 0.26 -0.36 6.16 0.00 -1.11 -2.62 119.26 122.79 2job h ALA 78 Ca 0.27 -0.73 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2job h ALA 78 Cb 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2job h ALA 78 CO -0.04 0.79 -0.34 -0.22 0.00 0.00 0.00 179.25 179.45 2job h LYS 79 N 0.25 0.81 -0.24 0.00 3.11 0.19 -1.93 116.57 118.77 2job h LYS 79 Ca -0.10 -0.39 -0.13 0.00 -2.81 0.00 0.00 60.65 57.22 2job h LYS 79 Cb 1.67 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.88 2job h LYS 79 CO 0.18 1.03 -0.38 -0.44 -2.81 0.00 0.00 179.45 177.03 2job h ASP 80 N 0.68 0.57 -0.53 4.20 5.19 -0.46 -2.24 116.42 123.82 2job h ASP 80 Ca 0.07 -0.24 -0.10 0.00 -0.62 0.00 0.00 57.03 56.14 2job h ASP 80 Cb 0.89 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.22 2job h ASP 80 CO 0.08 0.89 -0.04 0.15 -3.12 0.00 0.00 179.24 177.20 2job h PHE 81 N 0.45 1.06 -0.61 4.55 3.04 -1.29 -2.30 116.94 121.85 2job h PHE 81 Ca 0.04 -0.20 -0.07 0.00 3.98 0.00 0.00 57.97 61.73 2job h PHE 81 Cb 0.86 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 39.08 2job h PHE 81 CO 0.03 0.98 0.11 0.28 -2.02 0.00 0.00 178.31 177.69 2job h VAL 82 N 0.84 1.25 -0.73 1.41 2.07 -1.18 -1.20 116.25 118.70 2job h VAL 82 Ca 0.15 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 2job h VAL 82 Cb 0.59 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 2job h VAL 82 CO 0.04 0.36 0.24 -0.09 0.02 0.00 0.00 177.57 178.13 2job h ARG 83 N 0.93 1.12 -0.16 1.57 9.65 -1.19 0.31 114.38 126.61 2job h ARG 83 Ca 0.19 -0.23 -0.12 0.00 -1.10 0.00 0.00 59.98 58.72 2job h ARG 83 Cb 0.39 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 2job h ARG 83 CO 0.01 0.95 -0.42 0.87 2.80 0.00 0.00 179.97 184.18 2job h LYS 84 N 1.08 0.37 0.00 0.20 1.57 -1.05 -1.93 116.57 116.82 2job h LYS 84 Ca 0.24 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 2job h LYS 84 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2job h LYS 84 CO -0.01 0.73 -0.63 0.00 -0.57 0.00 0.00 179.45 178.97 2job h ALA 85 N 1.25 0.74 -0.28 3.86 0.00 -0.71 -3.00 119.26 121.12 2job h ALA 85 Ca 0.03 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 2job h ALA 85 Cb 0.87 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2job h ALA 85 CO 0.07 0.78 -0.37 0.35 0.00 0.00 0.00 179.25 180.08 2job h PHE 86 N 0.00 0.91 -0.33 0.00 3.04 -0.01 0.59 116.94 121.14 2job h PHE 86 Ca -0.01 -0.30 -0.10 0.00 3.98 0.00 0.00 57.97 61.54 2job h PHE 86 Cb 1.30 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 2job h PHE 86 CO 0.00 1.07 -0.23 -0.56 -2.02 0.00 0.00 178.31 176.58 2job h GLN 87 N 0.49 0.65 0.14 1.11 3.07 -1.37 -3.27 115.11 115.92 2job h GLN 87 Ca 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 58.65 58.52 2job h GLN 87 Cb 0.96 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.49 2job h GLN 87 CO 0.09 0.82 -0.07 0.87 0.09 0.00 0.00 178.83 180.63 2job h LYS 88 N 0.57 -0.18 0.00 0.06 1.57 -1.50 -3.49 116.57 113.60 2job h LYS 88 Ca 0.08 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2job h LYS 88 Cb 0.70 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2job h LYS 88 CO 0.05 0.26 0.00 0.41 -0.57 0.00 0.00 179.45 179.60 2job n GLY 89 N 0.83 0.11 1.01 3.86 0.00 -0.45 -5.10 105.19 105.45 2job n GLY 89 Ca -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.96 -4.19 0.99 4.77 0.07 -4.85 117.00 114.75 2job n LEU 90 Ca 0.00 0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.67 2job n LEU 90 Cb 0.00 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2job n LEU 90 CO 0.00 -0.70 1.66 -0.38 -1.33 0.00 0.00 177.39 176.64 2job n ILE 91 N -3.36 4.30 -0.42 -0.08 5.41 -1.24 -4.94 119.36 119.02 2job n ILE 91 Ca -0.00 -4.58 -0.31 0.00 1.00 0.00 0.00 62.75 58.86 2job n ILE 91 Cb 0.01 -2.41 0.29 0.00 -0.71 0.00 0.00 39.64 36.82 2job n ILE 91 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2job s SER 92 N 1.92 -1.01 0.06 4.38 0.15 -1.26 -4.60 113.70 113.33 2job s SER 92 Ca 0.41 0.81 -0.28 0.00 0.70 0.00 0.00 55.95 57.59 2job s SER 92 Cb 0.03 -1.13 -0.17 0.00 -1.71 0.00 0.00 66.02 63.03 2job s SER 92 CO 0.00 -5.33 1.53 -0.61 1.20 0.00 0.00 173.24 170.04 2job h GLN 93 N -3.40 -0.55 0.00 5.44 5.75 -1.99 -1.97 115.11 118.39 2job h GLN 93 Ca -0.43 0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.03 2job h GLN 93 Cb 1.34 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 30.00 2job h GLN 93 CO 0.28 -0.31 -0.37 -0.56 -2.65 0.00 0.00 178.83 175.21 2job h GLN 94 N -0.67 0.00 -0.35 1.69 3.07 -1.99 -2.87 115.11 113.98 2job h GLN 94 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 2job h GLN 94 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.04 2job h GLN 94 CO 0.10 0.37 0.12 1.49 0.09 0.00 0.00 178.83 181.00 2job h GLU 95 N 0.00 0.54 -0.57 0.06 4.57 -1.84 -0.45 114.58 116.89 2job h GLU 95 Ca -0.00 -0.11 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 2job h GLU 95 Cb 0.68 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.16 2job h GLU 95 CO 0.05 0.56 0.09 0.00 -1.18 0.00 0.00 179.01 178.52 2job h ALA 96 N 0.96 1.07 -0.40 2.92 0.00 -1.24 -2.28 119.26 120.29 2job h ALA 96 Ca 0.12 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2job h ALA 96 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2job h ALA 96 CO -0.01 0.60 -0.14 -0.91 0.00 0.00 0.00 179.25 178.79 2job h ASN 97 N 0.87 0.72 -0.53 0.00 4.21 -1.27 -1.23 115.58 118.36 2job h ASN 97 Ca 0.18 -0.22 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 2job h ASN 97 Cb 0.39 -0.19 -0.02 0.00 -1.12 0.00 0.00 38.32 37.38 2job h ASN 97 CO 0.01 0.88 0.00 -0.61 -1.29 0.00 0.00 177.43 176.42 2job h GLN 98 N 0.65 0.93 -0.50 0.81 -0.00 -0.70 -2.11 115.11 114.21 2job h GLN 98 Ca 0.11 -0.30 -0.11 0.00 -0.00 0.00 0.00 58.65 58.35 2job h GLN 98 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.99 2job h GLN 98 CO 0.04 0.95 -0.10 2.35 0.00 0.00 0.00 178.83 182.07 2job h TRP 99 N 0.81 1.06 -0.89 3.99 7.01 -1.24 0.51 115.95 127.21 2job h TRP 99 Ca 0.15 -0.22 0.07 0.00 2.11 0.00 0.00 58.89 61.00 2job h TRP 99 Cb 0.53 -0.26 -0.06 0.00 -2.10 0.00 0.00 29.16 27.27 2job h TRP 99 CO 0.04 1.01 0.58 -0.07 -2.79 0.00 0.00 178.44 177.21 2job h LEU 100 N 0.80 0.86 0.04 0.65 3.38 -1.01 -2.26 115.31 117.77 2job h LEU 100 Ca 0.13 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 2job h LEU 100 Cb 0.66 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.25 2job h LEU 100 CO 0.05 0.55 -0.82 -1.28 0.09 0.00 0.00 178.44 177.02 2job h SER 101 N 0.98 0.65 0.00 -0.43 0.87 -1.08 -3.51 113.55 111.02 2job h SER 101 Ca 0.39 -0.79 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 2job h SER 101 Cb 0.25 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2job h SER 101 CO -0.15 1.37 0.00 -1.20 -0.53 0.00 0.00 176.83 176.32