#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 3.60 0.18 4.31 0.00 -1.26 -4.66 121.76 123.93 2job s ALA 2 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2job s ALA 2 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2job s ALA 2 CO 0.00 -1.32 0.00 0.98 0.00 0.00 0.00 175.76 175.42 2job n TYR 3 N 6.89 -3.29 -2.52 0.00 9.36 -1.26 -5.12 117.16 121.22 2job n TYR 3 Ca 0.15 0.62 -0.39 0.00 3.32 0.00 0.00 57.90 61.60 2job n TYR 3 Cb 0.45 1.84 -0.04 0.00 -0.63 0.00 0.00 39.34 40.96 2job n TYR 3 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2job s VAL 4 N -2.00 3.61 0.02 2.97 0.11 -1.26 -5.06 120.40 118.80 2job s VAL 4 Ca 0.00 1.46 0.01 0.00 -2.93 0.00 0.00 61.98 60.52 2job s VAL 4 Cb 0.00 -3.86 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 2job s VAL 4 CO 0.00 0.22 -0.06 -1.58 -3.33 0.00 0.00 175.10 170.36 2job s GLN 5 N -1.86 0.41 0.00 1.54 0.74 -1.26 -5.00 119.66 114.23 2job s GLN 5 Ca 0.50 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.37 2job s GLN 5 Cb -0.28 -0.21 0.00 0.00 1.10 0.00 0.00 33.01 33.63 2job s GLN 5 CO 0.35 0.04 0.00 0.41 -0.55 0.00 0.00 175.29 175.54 2job n GLY 6 N 1.96 -0.93 0.16 2.59 0.00 -1.26 -4.97 105.19 102.74 2job n GLY 6 Ca -0.20 0.39 -0.08 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 0.45 -0.66 1.61 4.06 -2.00 -1.33 115.95 118.08 2job h TRP 7 Ca 0.00 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 2job h TRP 7 Cb 0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 27.98 2job h TRP 7 CO 0.00 0.27 0.38 1.49 -3.56 0.00 0.00 178.44 177.02 2job h GLU 8 N 0.48 0.90 -0.99 0.49 4.22 -1.95 -1.61 114.58 116.13 2job h GLU 8 Ca 0.14 -0.09 0.01 0.00 0.08 0.00 0.00 59.36 59.49 2job h GLU 8 Cb -0.04 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 28.98 2job h GLU 8 CO -0.04 0.66 0.65 0.00 -2.18 0.00 0.00 179.01 178.09 2job h ALA 9 N 1.19 1.25 -0.60 2.92 0.00 -1.84 -0.92 119.26 121.26 2job h ALA 9 Ca 0.23 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2job h ALA 9 Cb 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 2job h ALA 9 CO -0.04 0.65 0.01 0.28 0.00 0.00 0.00 179.25 180.15 2job h VAL 10 N 1.34 1.26 -0.66 0.00 2.07 -0.73 -1.61 116.25 117.92 2job h VAL 10 Ca 0.36 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 2job h VAL 10 Cb -0.14 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2job h VAL 10 CO -0.08 0.41 0.14 0.00 0.02 0.00 0.00 177.57 178.06 2job h ALA 11 N 1.03 0.99 -0.52 1.67 0.00 -0.64 -1.58 119.26 120.21 2job h ALA 11 Ca 0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2job h ALA 11 Cb 0.55 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2job h ALA 11 CO 0.03 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.84 2job h ALA 12 N 1.13 0.87 -0.63 0.00 0.00 -0.93 -2.00 119.26 117.70 2job h ALA 12 Ca 0.21 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2job h ALA 12 Cb 0.39 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2job h ALA 12 CO 0.01 0.65 0.13 0.00 0.00 0.00 0.00 179.25 180.03 2job h ALA 13 N 1.04 0.83 -0.70 0.00 0.00 -0.97 -1.37 119.26 118.10 2job h ALA 13 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2job h ALA 13 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2job h ALA 13 CO 0.04 0.57 0.32 0.28 0.00 0.00 0.00 179.25 180.45 2job h VAL 14 N 0.94 1.24 -0.80 0.00 2.07 -1.08 -1.84 116.25 116.78 2job h VAL 14 Ca 0.19 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2job h VAL 14 Cb 0.39 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 2job h VAL 14 CO 0.01 0.28 0.36 0.00 0.02 0.00 0.00 177.57 178.25 2job h ALA 15 N 1.15 1.13 -0.78 1.67 0.00 -1.03 -1.47 119.26 119.92 2job h ALA 15 Ca 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2job h ALA 15 Cb 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2job h ALA 15 CO -0.03 0.64 0.42 0.77 0.00 0.00 0.00 179.25 181.06 2job h SER 16 N 1.15 0.99 0.26 0.00 0.02 -0.69 -1.80 113.55 113.48 2job h SER 16 Ca 0.27 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.04 2job h SER 16 Cb 0.14 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2job h SER 16 CO -0.03 0.81 -0.34 0.50 -1.14 0.00 0.00 176.83 176.63 2job h LYS 17 N 1.09 0.13 -0.22 3.45 1.63 -0.83 -2.48 116.57 119.34 2job h LYS 17 Ca 0.27 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.01 2job h LYS 17 Cb 0.05 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2job h LYS 17 CO -0.04 0.46 0.09 0.82 -3.45 0.00 0.00 179.45 177.32 2job h ILE 18 N 0.11 1.17 -0.68 2.00 1.08 -0.44 0.11 117.51 120.86 2job h ILE 18 Ca 0.01 -0.51 -0.05 0.00 -0.39 0.00 0.00 64.86 63.93 2job h ILE 18 Cb 0.66 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 2job h ILE 18 CO 0.05 0.17 0.22 0.58 -0.69 0.00 0.00 178.15 178.47 2job h VAL 19 N 0.20 1.25 0.00 1.67 2.07 -1.27 -0.32 116.25 119.85 2job h VAL 19 Ca 0.07 -0.84 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 2job h VAL 19 Cb 0.18 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2job h VAL 19 CO -0.01 0.33 -0.40 1.23 0.02 0.00 0.00 177.57 178.74 2job h GLY 20 N 1.07 0.00 -2.43 2.17 0.00 -1.18 -3.19 103.07 99.52 2job h GLY 20 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.28 2job h GLY 20 CO -0.01 0.00 -0.18 -0.10 0.00 0.00 0.00 176.54 176.25 2job n LEU 21 N -3.61 4.44 -4.74 3.11 7.94 0.35 -5.01 117.00 119.48 2job n LEU 21 Ca -0.01 -4.02 -0.37 0.00 -1.11 0.00 0.00 56.01 50.50 2job n LEU 21 Cb 0.51 -0.60 -0.06 0.00 0.53 0.00 0.00 43.42 43.79 2job n LEU 21 CO 0.37 1.46 0.07 0.86 -1.11 0.00 0.00 177.39 179.04 2job s TRP 22 N -3.37 3.52 0.17 1.96 -0.00 -0.19 -4.28 118.94 116.76 2job s TRP 22 Ca 0.47 0.76 0.02 0.00 -0.00 0.00 0.00 56.10 57.35 2job s TRP 22 Cb 0.41 -2.41 0.03 0.00 -0.00 0.00 0.00 33.47 31.51 2job s TRP 22 CO -0.00 0.28 0.24 -2.13 -0.00 0.00 0.00 176.95 175.33 2job n ARG 23 N 3.34 0.77 -0.33 5.86 3.00 0.88 -4.95 116.66 125.23 2job n ARG 23 Ca -0.10 -0.85 0.26 0.00 -0.00 0.00 0.00 57.85 57.16 2job n ARG 23 Cb 0.52 -0.10 0.51 0.00 0.00 0.00 0.00 32.46 33.39 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 -0.02 0.46 0.00 6.15 2.35 -1.98 -3.29 115.58 119.25 2job h ASN 24 Ca -0.08 0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.75 2job h ASN 24 Cb 0.35 0.17 -0.11 0.00 0.05 0.00 0.00 38.32 38.78 2job h ASN 24 CO 0.11 -0.21 -0.21 -1.84 -1.65 0.00 0.00 177.43 173.62 2job n GLU 25 N -5.09 0.75 -3.76 0.81 0.28 -1.26 -4.94 120.64 107.43 2job n GLU 25 Ca 0.33 -0.88 -0.10 0.00 -0.16 0.00 0.00 57.16 56.36 2job n GLU 25 Cb 1.07 0.38 -0.06 0.00 1.43 0.00 0.00 31.44 34.26 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 1.04 -0.01 3.44 2.20 -1.24 -3.71 119.74 121.53 2job s LYS 26 Ca 0.05 -0.87 -0.25 0.00 -0.36 0.00 0.00 55.97 54.53 2job s LYS 26 Cb 0.25 0.42 0.06 0.00 -1.51 0.00 0.00 37.83 37.04 2job s LYS 26 CO -0.07 -0.39 0.56 -0.08 -0.36 0.00 0.00 175.35 175.01 2job s THR 27 N -3.85 0.02 -0.36 3.43 -1.32 -0.29 -0.09 115.64 113.18 2job s THR 27 Ca 0.06 -0.16 -0.10 0.00 -1.21 0.00 0.00 61.69 60.28 2job s THR 27 Cb 0.03 -0.91 0.03 0.00 -1.51 0.00 0.00 72.50 70.13 2job s THR 27 CO -0.09 -0.09 0.18 -1.61 -2.21 0.00 0.00 174.62 170.80 2job s GLU 28 N -1.60 2.82 -0.22 7.08 8.01 -1.26 0.19 118.70 133.72 2job s GLU 28 Ca -0.10 -1.07 -0.07 0.00 0.01 0.00 0.00 54.97 53.74 2job s GLU 28 Cb -0.01 -3.66 -0.03 0.00 -4.31 0.00 0.00 34.13 26.12 2job s GLU 28 CO 0.05 -0.67 0.07 -0.51 0.01 0.00 0.00 175.26 174.21 2job s LEU 29 N 1.52 3.58 -1.42 1.80 1.43 -0.37 -4.49 118.68 120.74 2job s LEU 29 Ca 0.01 -0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 2job s LEU 29 Cb -0.19 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.12 2job s LEU 29 CO 0.06 0.04 0.49 -0.11 0.23 0.00 0.00 176.35 177.06 2job n LEU 30 N 4.40 -2.09 0.00 1.79 7.94 -1.26 -0.28 117.00 127.50 2job n LEU 30 Ca -0.16 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.46 2job n LEU 30 Cb 0.52 -2.58 0.00 0.00 0.53 0.00 0.00 43.42 41.89 2job n LEU 30 CO 0.33 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 2job n GLY 31 N -1.31 0.56 3.82 -3.96 0.00 -1.26 -5.02 105.19 98.01 2job n GLY 31 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.33 3.08 -0.14 1.61 3.76 0.62 -5.09 115.29 116.80 2job s HIS 32 Ca 0.00 -0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.55 2job s HIS 32 Cb 0.00 -1.43 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 2job s HIS 32 CO 0.00 0.49 0.72 -2.00 -0.85 0.00 0.00 174.74 173.10 2job s GLU 33 N -3.85 4.32 0.27 1.40 2.56 -1.26 -1.23 118.70 120.90 2job s GLU 33 Ca 0.34 0.83 0.03 0.00 0.00 0.00 0.00 54.97 56.17 2job s GLU 33 Cb -0.08 -3.53 -0.06 0.00 2.00 0.00 0.00 34.13 32.47 2job s GLU 33 CO 0.25 -0.16 0.04 0.00 -0.56 0.00 0.00 175.26 174.83 2job s LYS 35 N -3.91 2.15 -0.18 0.00 2.20 0.37 -1.14 119.74 119.23 2job s LYS 35 Ca 0.34 -0.87 -0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2job s LYS 35 Cb 0.07 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 2job s LYS 35 CO 0.12 -0.41 -0.12 0.12 -0.36 0.00 0.00 175.35 174.70 2job s PHE 36 N 1.37 2.85 0.05 4.03 5.36 -1.24 -1.06 117.98 129.33 2job s PHE 36 Ca -0.01 -1.13 -0.01 0.00 -0.96 0.00 0.00 56.93 54.82 2job s PHE 36 Cb -0.16 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 2job s PHE 36 CO -0.08 -0.57 -0.02 0.95 -1.46 0.00 0.00 175.22 174.04 2job s THR 37 N 1.15 0.20 0.05 0.12 -4.23 -0.42 -3.63 115.64 108.88 2job s THR 37 Ca 0.01 -1.62 0.05 0.00 -1.18 0.00 0.00 61.69 58.96 2job s THR 37 Cb -0.14 -1.30 -0.02 0.00 1.34 0.00 0.00 72.50 72.37 2job s THR 37 CO -0.04 -0.89 -0.15 0.54 -0.54 0.00 0.00 174.62 173.53 2job s VAL 38 N -3.50 1.21 -0.25 2.29 0.11 -1.26 -0.96 120.40 118.04 2job s VAL 38 Ca 0.03 -1.14 -0.03 0.00 -2.93 0.00 0.00 61.98 57.91 2job s VAL 38 Cb 0.05 -1.11 0.14 0.00 -1.53 0.00 0.00 36.38 33.93 2job s VAL 38 CO -0.08 -0.04 0.42 -0.75 -3.33 0.00 0.00 175.10 171.31 2job s LYS 39 N -1.36 0.38 0.59 1.54 2.47 0.45 -4.98 119.74 118.83 2job s LYS 39 Ca 0.02 0.65 -0.13 0.00 -1.56 0.00 0.00 55.97 54.95 2job s LYS 39 Cb -0.09 -0.24 -0.05 0.00 -1.46 0.00 0.00 37.83 35.99 2job s LYS 39 CO 0.02 -0.61 1.02 -1.25 0.16 0.00 0.00 175.35 174.69 2job s PRO 40 N 2.60 3.70 0.30 4.03 0.04 -1.26 -3.31 135.00 141.11 2job s PRO 40 Ca 0.13 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.01 2job s PRO 40 Cb -0.15 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 2job s PRO 40 CO -0.16 -0.48 0.06 0.66 0.04 0.00 0.00 177.00 177.12 2job n TYR 41 N -2.37 0.37 -3.84 0.56 4.01 -0.03 -4.95 117.16 110.91 2job n TYR 41 Ca 0.06 -1.75 -0.12 0.00 -0.16 0.00 0.00 57.90 55.93 2job n TYR 41 Cb 0.54 -0.09 -0.12 0.00 -0.31 0.00 0.00 39.34 39.36 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 1.52 0.51 7.72 0.20 -1.26 -1.86 118.68 125.51 2job s LEU 42 Ca 0.09 0.12 0.02 0.00 0.69 0.00 0.00 54.13 55.05 2job s LEU 42 Cb 0.00 0.52 -0.01 0.00 -0.43 0.00 0.00 46.19 46.28 2job s LEU 42 CO 0.06 -0.14 0.07 -0.75 -0.29 0.00 0.00 176.35 175.30 2job s LYS 43 N -0.37 2.20 0.42 1.98 2.47 0.12 -4.95 119.74 121.60 2job s LYS 43 Ca -0.05 -2.32 0.28 0.00 -1.56 0.00 0.00 55.97 52.32 2job s LYS 43 Cb -0.03 -1.63 1.38 0.00 -1.46 0.00 0.00 37.83 36.09 2job s LYS 43 CO 0.00 -0.39 1.62 0.00 0.16 0.00 0.00 175.35 176.75 2job h ARG 44 N 1.27 0.10 -0.07 4.03 2.47 -2.05 -3.13 114.38 116.99 2job h ARG 44 Ca -0.43 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.11 2job h ARG 44 Cb 1.31 -0.02 -0.19 0.00 -1.65 0.00 0.00 29.97 29.41 2job h ARG 44 CO 0.72 0.06 -0.43 1.19 0.56 0.00 0.00 179.97 182.08 2job n PHE 45 N -4.79 -1.37 -3.66 3.04 3.72 -1.26 -5.12 117.46 108.02 2job n PHE 45 Ca 0.37 -1.71 -0.11 0.00 -0.05 0.00 0.00 57.45 55.94 2job n PHE 45 Cb 1.37 1.18 -0.08 0.00 -0.94 0.00 0.00 39.48 41.02 2job n PHE 45 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2job s GLN 46 N -0.55 0.67 -0.23 -1.08 -0.21 -1.18 -5.14 119.66 111.94 2job s GLN 46 Ca 0.12 0.95 -0.12 0.00 0.02 0.00 0.00 55.36 56.33 2job s GLN 46 Cb 0.40 0.24 -0.05 0.00 1.00 0.00 0.00 33.01 34.61 2job s GLN 46 CO -0.11 -0.11 0.23 0.08 -2.12 0.00 0.00 175.29 173.26 2job s VAL 47 N 0.83 5.31 0.27 1.09 1.01 -1.26 0.14 120.40 127.80 2job s VAL 47 Ca -0.04 0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.35 2job s VAL 47 Cb -0.05 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2job s VAL 47 CO -0.07 0.32 0.17 -0.31 0.00 0.00 0.00 175.10 175.21 2job s TYR 48 N 1.12 2.97 0.02 5.22 2.02 -0.78 -4.95 117.35 122.97 2job s TYR 48 Ca 0.11 -0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.68 2job s TYR 48 Cb -0.14 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 2job s TYR 48 CO 0.05 0.48 -0.15 0.71 -1.57 0.00 0.00 175.55 175.07 2job s TYR 49 N -2.22 1.32 -0.01 2.71 1.51 -1.14 -0.85 117.35 118.67 2job s TYR 49 Ca 0.34 -0.30 -0.21 0.00 -1.01 0.00 0.00 57.07 55.88 2job s TYR 49 Cb -0.07 -0.82 0.04 0.00 -0.11 0.00 0.00 41.96 41.01 2job s TYR 49 CO 0.24 0.02 0.46 0.21 -1.11 0.00 0.00 175.55 175.37 2job s LYS 50 N -0.77 0.86 -0.01 -0.62 2.20 -1.21 -1.25 119.74 118.95 2job s LYS 50 Ca 0.04 -0.07 -0.13 0.00 -0.36 0.00 0.00 55.97 55.45 2job s LYS 50 Cb -0.07 0.39 0.02 0.00 -1.51 0.00 0.00 37.83 36.66 2job s LYS 50 CO 0.00 -0.27 0.26 0.20 -0.36 0.00 0.00 175.35 175.19 2job s GLY 51 N -1.43 -0.10 -0.02 5.54 0.00 -0.46 -0.42 107.32 110.44 2job s GLY 51 Ca -0.11 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.76 2job s GLY 51 CO 0.05 0.01 0.09 -1.60 0.00 0.00 0.00 173.10 171.65 2job s ARG 52 N -1.36 0.27 -0.01 2.90 3.52 -0.14 -1.06 118.95 123.07 2job s ARG 52 Ca -0.14 -0.16 -0.06 0.00 -0.13 0.00 0.00 55.73 55.24 2job s ARG 52 Cb -0.06 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 2job s ARG 52 CO 0.03 -0.05 0.12 0.00 -0.81 0.00 0.00 175.30 174.59 2job s MET 53 N -0.67 0.38 0.00 5.12 0.23 -0.12 -1.30 119.30 122.94 2job s MET 53 Ca -0.08 -0.25 0.00 0.00 -1.03 0.00 0.00 55.69 54.33 2job s MET 53 Cb -0.05 0.16 0.00 0.00 -1.53 0.00 0.00 34.83 33.41 2job s MET 53 CO 0.00 -0.08 0.00 -2.67 -2.03 0.00 0.00 175.02 170.24 2job n TRP 54 N 1.91 -0.64 -3.62 3.16 2.14 -0.22 -1.55 117.44 118.61 2job n TRP 54 Ca -0.20 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.08 2job n TRP 54 Cb 0.56 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.93 2job n TRP 54 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2job s PRO 56 N 0.98 2.94 0.00 0.00 0.04 -1.25 -3.00 135.00 134.70 2job s PRO 56 Ca 0.15 -1.36 0.00 0.00 0.04 0.00 0.00 61.00 59.84 2job s PRO 56 Cb -0.22 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.00 2job s PRO 56 CO -0.07 -3.43 0.00 0.41 0.04 0.00 0.00 177.00 173.95 2job n GLY 57 N 5.77 3.28 0.10 0.56 0.00 -1.26 -4.90 105.19 108.74 2job n GLY 57 Ca 0.45 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.10 -1.81 1.61 7.01 -1.76 -3.49 115.95 117.40 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 0.45 0.00 -2.37 -2.79 0.00 0.00 178.44 173.73 2job n THR 59 N -4.83 0.00 -2.22 2.65 5.66 -1.20 -5.07 114.28 109.28 2job n THR 59 Ca -0.08 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.66 2job n THR 59 Cb 0.30 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.09 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 5.15 -2.50 1.79 0.00 -1.26 -4.60 120.51 116.08 2job n ALA 60 Ca 0.00 -4.06 -0.25 0.00 0.00 0.00 0.00 53.44 49.13 2job n ALA 60 Cb 0.00 -0.54 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 -5.09 2.72 0.17 0.00 1.01 -1.26 -5.09 121.20 113.65 2job s ILE 61 Ca 0.50 -2.06 -0.07 0.00 0.00 0.00 0.00 60.65 59.03 2job s ILE 61 Cb 0.41 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 2job s ILE 61 CO -0.09 -0.24 0.24 0.00 0.00 0.00 0.00 174.94 174.85 2job s ARG 62 N -3.10 1.14 -0.18 2.79 1.70 -1.26 -3.96 118.95 116.08 2job s ARG 62 Ca 0.26 -1.27 -0.09 0.00 -0.47 0.00 0.00 55.73 54.17 2job s ARG 62 Cb -0.07 0.35 0.07 0.00 -0.57 0.00 0.00 34.95 34.73 2job s ARG 62 CO 0.14 -0.40 0.41 0.20 -1.08 0.00 0.00 175.30 174.56 2job s GLY 63 N -3.00 -0.33 0.09 3.88 0.00 -0.60 -4.50 107.32 102.86 2job s GLY 63 Ca 0.21 1.51 -0.06 0.00 0.00 0.00 0.00 44.72 46.37 2job s GLY 63 CO 0.02 1.87 0.13 -1.83 0.00 0.00 0.00 173.10 173.29 2job s GLU 64 N 1.72 0.81 0.17 2.90 -1.05 -1.26 -0.94 118.70 121.04 2job s GLU 64 Ca -0.07 -1.06 -0.14 0.00 -0.15 0.00 0.00 54.97 53.54 2job s GLU 64 Cb -0.09 0.31 0.02 0.00 -0.44 0.00 0.00 34.13 33.92 2job s GLU 64 CO -0.13 -0.24 0.42 0.00 0.95 0.00 0.00 175.26 176.26 2job s ALA 65 N -3.89 -0.63 -0.00 -0.84 0.00 -0.23 -4.84 121.76 111.33 2job s ALA 65 Ca 0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 2job s ALA 65 Cb 0.06 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.99 2job s ALA 65 CO -0.09 -0.72 0.02 -1.12 0.00 0.00 0.00 175.76 173.84 2job s SER 66 N -2.89 0.02 0.03 0.00 0.01 -1.26 -1.35 113.70 108.26 2job s SER 66 Ca 0.10 -0.05 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 2job s SER 66 Cb 0.01 0.06 0.10 0.00 0.21 0.00 0.00 66.02 66.40 2job s SER 66 CO -0.04 -0.07 1.20 0.28 0.41 0.00 0.00 173.24 175.02 2job s THR 67 N -0.27 0.00 0.31 1.44 -1.32 -0.38 -4.99 115.64 110.42 2job s THR 67 Ca -0.03 -0.35 0.03 0.00 -1.21 0.00 0.00 61.69 60.13 2job s THR 67 Cb -0.02 -2.02 0.14 0.00 -1.51 0.00 0.00 72.50 69.08 2job s THR 67 CO -0.00 0.00 1.83 0.08 -2.21 0.00 0.00 174.62 174.32 2job h ARG 68 N 2.00 0.58 -7.10 7.08 0.11 -1.92 -3.02 114.38 112.11 2job h ARG 68 Ca -0.29 -0.14 -0.55 0.00 0.10 0.00 0.00 59.98 59.10 2job h ARG 68 Cb 1.21 -0.08 0.18 0.00 1.11 0.00 0.00 29.97 32.39 2job h ARG 68 CO 0.28 0.63 0.30 0.43 0.10 0.00 0.00 179.97 181.70 2job n SER 69 N -4.24 1.08 -0.08 0.08 7.64 -1.26 -4.69 113.62 112.15 2job n SER 69 Ca 0.02 0.66 -0.08 0.00 1.01 0.00 0.00 58.87 60.48 2job n SER 69 Cb 0.28 -1.49 -0.03 0.00 -1.01 0.00 0.00 64.21 61.96 2job n SER 69 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2job n GLN 70 N -2.51 0.46 0.12 1.43 6.02 -1.26 -4.27 117.38 117.36 2job n GLN 70 Ca 0.14 0.18 -0.03 0.00 -0.01 0.00 0.00 57.00 57.29 2job n GLN 70 Cb 0.50 -1.31 0.10 0.00 1.02 0.00 0.00 30.24 30.55 2job n GLN 70 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2job h SER 71 N -0.87 0.00 -0.78 1.08 0.87 -1.99 -3.19 113.55 108.66 2job h SER 71 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2job h SER 71 Cb 0.87 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.79 2job h SER 71 CO 0.00 0.71 0.42 1.23 -0.53 0.00 0.00 176.83 178.66 2job h GLY 72 N 2.15 1.19 1.53 5.77 0.00 -1.98 -2.34 103.07 109.39 2job h GLY 72 Ca -0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 2job h GLY 72 CO 0.09 0.52 0.05 -0.24 0.00 0.00 0.00 176.54 176.96 2job h VAL 73 N 1.11 1.19 -0.30 4.60 3.04 -1.73 -1.59 116.25 122.58 2job h VAL 73 Ca 0.28 -0.73 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 2job h VAL 73 Cb 0.04 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 2job h VAL 73 CO -0.04 0.26 0.07 0.00 -1.01 0.00 0.00 177.57 176.84 2job h ALA 74 N 1.49 0.40 -0.66 3.17 0.00 -1.51 0.21 119.26 122.35 2job h ALA 74 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2job h ALA 74 Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2job h ALA 74 CO 0.00 0.07 0.29 0.78 0.00 0.00 0.00 179.25 180.39 2job h GLY 75 N 0.32 1.01 1.24 0.00 0.00 -1.25 -2.22 103.07 102.18 2job h GLY 75 Ca 0.09 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 2job h GLY 75 CO 0.00 0.48 -0.40 1.70 0.00 0.00 0.00 176.54 178.32 2job h LYS 76 N 0.94 0.83 -0.65 4.80 3.64 -0.92 -1.48 116.57 123.74 2job h LYS 76 Ca 0.23 -0.44 0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2job h LYS 76 Cb 0.14 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2job h LYS 76 CO -0.03 1.07 0.33 1.15 -2.27 0.00 0.00 179.45 179.71 2job h THR 77 N 0.68 0.91 -0.32 1.00 2.02 -0.01 0.77 112.91 117.96 2job h THR 77 Ca 0.05 -0.21 -0.16 0.00 0.77 0.00 0.00 66.41 66.86 2job h THR 77 Cb 0.97 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 2job h THR 77 CO 0.09 0.11 -0.45 0.00 0.37 0.00 0.00 175.52 175.64 2job h ALA 78 N 1.36 0.60 -0.48 6.16 0.00 -1.33 -2.41 119.26 123.16 2job h ALA 78 Ca 0.30 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2job h ALA 78 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2job h ALA 78 CO -0.21 0.68 -0.19 -0.22 0.00 0.00 0.00 179.25 179.31 2job h LYS 79 N 0.66 0.95 -0.06 0.00 3.11 -0.26 -0.13 116.57 120.84 2job h LYS 79 Ca 0.04 -0.38 -0.08 0.00 -2.81 0.00 0.00 60.65 57.42 2job h LYS 79 Cb 1.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 2job h LYS 79 CO 0.10 1.05 -0.32 -0.44 -2.81 0.00 0.00 179.45 177.03 2job h ASP 80 N 0.83 0.12 0.50 4.20 5.19 0.58 -0.10 116.42 127.73 2job h ASP 80 Ca 0.12 -0.04 -0.30 0.00 -0.62 0.00 0.00 57.03 56.19 2job h ASP 80 Cb 0.74 -0.03 0.01 0.00 0.18 0.00 0.00 39.33 40.23 2job h ASP 80 CO 0.06 0.44 -1.36 0.15 -3.12 0.00 0.00 179.24 175.41 2job h PHE 81 N 0.11 0.63 -0.42 4.55 3.57 -1.19 -3.00 116.94 121.18 2job h PHE 81 Ca 0.01 -0.46 -0.12 0.00 3.53 0.00 0.00 57.97 60.93 2job h PHE 81 Cb 0.63 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2job h PHE 81 CO 0.01 1.38 -0.23 0.28 -2.23 0.00 0.00 178.31 177.51 2job h VAL 82 N 0.09 1.27 -0.49 1.41 2.07 -0.76 -1.25 116.25 118.59 2job h VAL 82 Ca -0.19 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 65.85 2job h VAL 82 Cb 2.04 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 2job h VAL 82 CO 0.22 0.46 -0.15 0.08 0.02 0.00 0.00 177.57 178.20 2job h ARG 83 N 0.74 0.96 -0.60 1.57 0.11 -1.10 0.13 114.38 116.18 2job h ARG 83 Ca 0.10 -0.37 -0.09 0.00 0.10 0.00 0.00 59.98 59.72 2job h ARG 83 Cb 0.77 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.78 2job h ARG 83 CO 0.06 1.03 0.03 0.87 0.10 0.00 0.00 179.97 182.07 2job h LYS 84 N 0.84 1.04 -0.09 0.08 6.56 -1.37 -1.71 116.57 121.92 2job h LYS 84 Ca 0.12 -0.32 -0.12 0.00 -1.06 0.00 0.00 60.65 59.28 2job h LYS 84 Cb 0.71 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.25 2job h LYS 84 CO 0.05 1.01 -0.48 0.00 -2.06 0.00 0.00 179.45 177.97 2job h ALA 85 N 0.99 1.02 -0.56 3.86 0.00 -1.00 -2.20 119.26 121.39 2job h ALA 85 Ca 0.17 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2job h ALA 85 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2job h ALA 85 CO 0.02 0.64 0.11 0.35 0.00 0.00 0.00 179.25 180.37 2job h PHE 86 N 0.19 0.96 -0.39 0.00 3.04 -0.33 0.13 116.94 120.55 2job h PHE 86 Ca 0.01 -0.13 -0.12 0.00 3.98 0.00 0.00 57.97 61.71 2job h PHE 86 Cb 0.92 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 2job h PHE 86 CO 0.02 0.84 -0.24 1.96 -2.02 0.00 0.00 178.31 178.87 2job h GLN 87 N 0.80 0.78 0.09 1.11 4.20 -1.14 -3.25 115.11 117.70 2job h GLN 87 Ca 0.17 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 2job h GLN 87 Cb 0.39 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.14 2job h GLN 87 CO 0.01 0.94 -0.04 0.87 -0.67 0.00 0.00 178.83 179.93 2job h LYS 88 N 0.68 -0.12 0.00 1.46 1.79 -1.14 -3.48 116.57 115.76 2job h LYS 88 Ca 0.09 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2job h LYS 88 Cb 0.75 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 2job h LYS 88 CO 0.06 0.36 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 2job n GLY 89 N 0.35 0.65 0.92 3.86 0.00 0.34 -5.08 105.19 106.22 2job n GLY 89 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.40 -4.27 0.99 4.77 -0.48 -4.87 117.00 113.54 2job n LEU 90 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.53 2job n LEU 90 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2job n LEU 90 CO 0.00 0.04 0.90 -0.38 -1.33 0.00 0.00 177.39 176.62 2job n ILE 91 N -2.89 4.73 -1.36 -0.08 5.41 -1.24 -4.91 119.36 119.02 2job n ILE 91 Ca 0.00 -5.48 -0.21 0.00 1.00 0.00 0.00 62.75 58.07 2job n ILE 91 Cb 0.47 -2.47 0.15 0.00 -0.71 0.00 0.00 39.64 37.08 2job n ILE 91 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2job n SER 92 N 2.49 -0.60 0.07 4.38 3.41 -1.26 -4.59 113.62 117.51 2job n SER 92 Ca 0.25 -1.20 -0.12 0.00 -0.26 0.00 0.00 58.87 57.54 2job n SER 92 Cb 0.38 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.54 2job n SER 92 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2job h GLN 93 N 0.00 -0.21 -0.57 4.33 4.15 -1.98 -1.20 115.11 119.63 2job h GLN 93 Ca -0.29 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.10 2job h GLN 93 Cb 0.84 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 2job h GLN 93 CO 0.20 0.19 0.19 1.96 -1.93 0.00 0.00 178.83 179.44 2job h GLN 94 N -0.70 0.88 -0.51 1.69 7.50 -1.99 -1.06 115.11 120.92 2job h GLN 94 Ca -0.02 -0.19 -0.10 0.00 0.50 0.00 0.00 58.65 58.84 2job h GLN 94 Cb 0.50 -0.13 -0.02 0.00 0.05 0.00 0.00 27.48 27.88 2job h GLN 94 CO 0.04 0.79 -0.08 1.49 -1.50 0.00 0.00 178.83 179.57 2job h GLU 95 N 0.80 0.91 -0.55 1.46 4.57 -1.93 -1.24 114.58 118.60 2job h GLU 95 Ca 0.18 -0.31 -0.12 0.00 -1.18 0.00 0.00 59.36 57.94 2job h GLU 95 Cb 0.27 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2job h GLU 95 CO -0.01 0.96 -0.11 0.00 -1.18 0.00 0.00 179.01 178.67 2job h ALA 96 N 1.08 0.77 -0.58 2.92 0.00 -1.01 -2.40 119.26 120.03 2job h ALA 96 Ca 0.14 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2job h ALA 96 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2job h ALA 96 CO 0.04 0.67 0.02 -0.91 0.00 0.00 0.00 179.25 179.07 2job h ASN 97 N 0.92 0.97 -0.66 0.00 4.21 -0.96 -0.75 115.58 119.31 2job h ASN 97 Ca 0.14 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 2job h ASN 97 Cb 0.68 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.59 2job h ASN 97 CO 0.05 1.01 0.36 1.56 -1.29 0.00 0.00 177.43 179.13 2job h GLN 98 N 0.92 0.92 -0.44 0.81 1.08 -1.03 0.24 115.11 117.61 2job h GLN 98 Ca 0.17 -0.11 -0.12 0.00 -1.45 0.00 0.00 58.65 57.14 2job h GLN 98 Cb 0.51 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 2job h GLN 98 CO 0.02 0.69 -0.21 2.35 -0.95 0.00 0.00 178.83 180.74 2job h TRP 99 N 0.90 1.00 -0.44 2.96 7.01 -1.17 -0.93 115.95 125.28 2job h TRP 99 Ca 0.23 -0.23 -0.13 0.00 2.11 0.00 0.00 58.89 60.88 2job h TRP 99 Cb 0.04 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 26.85 2job h TRP 99 CO -0.01 1.00 -0.22 -0.07 -2.79 0.00 0.00 178.44 176.35 2job h LEU 100 N 0.77 0.91 -0.08 0.65 3.38 -0.62 -3.21 115.31 117.12 2job h LEU 100 Ca 0.11 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 2job h LEU 100 Cb 0.75 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2job h LEU 100 CO 0.06 1.10 -0.10 0.28 0.09 0.00 0.00 178.44 179.87 2job h SER 101 N 0.77 0.22 0.00 -0.43 0.02 -0.38 -3.51 113.55 110.24 2job h SER 101 Ca 0.10 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2job h SER 101 Cb 0.77 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2job h SER 101 CO 0.06 0.69 0.00 -1.20 -1.14 0.00 0.00 176.83 175.24