#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 1.86 -2.59 0.62 0.00 -1.26 -4.98 120.51 114.16 2job n ALA 2 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 2job n ALA 2 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 2job n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2job s TYR 3 N -1.47 3.23 -0.86 0.00 1.51 -1.26 -4.97 117.35 113.54 2job s TYR 3 Ca -0.04 0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 56.38 2job s TYR 3 Cb 0.01 -2.69 0.19 0.00 -0.11 0.00 0.00 41.96 39.36 2job s TYR 3 CO 0.06 -0.32 2.33 1.33 -1.11 0.00 0.00 175.55 177.84 2job n VAL 4 N 5.20 4.35 -1.04 0.71 0.24 -1.26 -4.63 118.33 121.89 2job n VAL 4 Ca -0.07 -4.18 -0.18 0.00 -2.04 0.00 0.00 64.34 57.87 2job n VAL 4 Cb 0.50 -1.61 0.20 0.00 -1.47 0.00 0.00 33.84 31.46 2job n VAL 4 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2job n GLN 5 N 0.54 2.51 0.11 7.34 6.02 -1.26 -4.57 117.38 128.07 2job n GLN 5 Ca 0.53 -2.83 -0.13 0.00 -0.01 0.00 0.00 57.00 54.55 2job n GLN 5 Cb 0.35 -2.12 -0.08 0.00 1.02 0.00 0.00 30.24 29.41 2job n GLN 5 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2job h GLY 6 N 1.59 -0.24 0.96 1.08 0.00 -1.99 0.28 103.07 104.75 2job h GLY 6 Ca 0.52 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.90 2job h GLY 6 CO 0.96 -0.09 0.15 1.49 0.00 0.00 0.00 176.54 179.05 2job h TRP 7 N -0.36 0.77 -0.76 5.60 4.06 -2.00 -2.15 115.95 121.10 2job h TRP 7 Ca -0.02 -0.08 -0.03 0.00 2.06 0.00 0.00 58.89 60.82 2job h TRP 7 Cb 0.28 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.18 2job h TRP 7 CO -0.03 0.68 0.36 0.93 -3.56 0.00 0.00 178.44 176.82 2job h GLU 8 N 0.63 1.09 -0.78 0.49 4.39 -1.83 -1.96 114.58 116.60 2job h GLU 8 Ca 0.15 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2job h GLU 8 Cb 0.27 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 2job h GLU 8 CO -0.00 0.84 0.37 0.00 -1.16 0.00 0.00 179.01 179.06 2job h ALA 9 N 1.31 1.01 -0.51 3.43 0.00 -0.11 0.11 119.26 124.50 2job h ALA 9 Ca 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2job h ALA 9 Cb 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2job h ALA 9 CO -0.03 0.59 0.15 0.28 0.00 0.00 0.00 179.25 180.23 2job h VAL 10 N 1.11 1.23 -0.65 0.00 2.07 -0.90 -0.27 116.25 118.85 2job h VAL 10 Ca 0.27 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 2job h VAL 10 Cb 0.13 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2job h VAL 10 CO -0.03 0.29 0.10 0.00 0.02 0.00 0.00 177.57 177.95 2job h ALA 11 N 1.01 0.95 -0.73 1.67 0.00 -0.96 -2.12 119.26 119.07 2job h ALA 11 Ca 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2job h ALA 11 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2job h ALA 11 CO -0.00 0.66 0.28 0.00 0.00 0.00 0.00 179.25 180.18 2job h ALA 12 N 1.09 0.95 -0.83 0.00 0.00 -0.41 -1.65 119.26 118.42 2job h ALA 12 Ca 0.20 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2job h ALA 12 Cb 0.44 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2job h ALA 12 CO 0.01 0.59 0.39 0.00 0.00 0.00 0.00 179.25 180.24 2job h ALA 13 N 1.14 1.07 -0.71 0.00 0.00 -0.71 -1.44 119.26 118.59 2job h ALA 13 Ca 0.24 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2job h ALA 13 Cb 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2job h ALA 13 CO -0.02 0.64 0.22 0.28 0.00 0.00 0.00 179.25 180.37 2job h VAL 14 N 1.18 1.26 -0.80 0.00 2.07 -0.97 -1.87 116.25 117.12 2job h VAL 14 Ca 0.28 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.85 2job h VAL 14 Cb 0.13 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2job h VAL 14 CO -0.03 0.35 0.32 0.00 0.02 0.00 0.00 177.57 178.23 2job h ALA 15 N 1.10 1.03 -0.62 1.67 0.00 -0.79 -1.82 119.26 119.85 2job h ALA 15 Ca 0.23 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2job h ALA 15 Cb 0.32 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2job h ALA 15 CO -0.01 0.66 0.09 1.03 0.00 0.00 0.00 179.25 181.02 2job h SER 16 N 1.16 0.97 0.08 0.00 0.87 -0.93 -2.41 113.55 113.28 2job h SER 16 Ca 0.27 -0.23 -0.07 0.00 -1.23 0.00 0.00 61.79 60.53 2job h SER 16 Cb 0.21 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2job h SER 16 CO -0.02 0.98 -0.22 0.50 -0.53 0.00 0.00 176.83 177.53 2job h LYS 17 N 0.95 0.26 -0.14 2.24 3.64 -0.94 -2.54 116.57 120.04 2job h LYS 17 Ca 0.19 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2job h LYS 17 Cb 0.43 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2job h LYS 17 CO 0.01 0.48 0.06 0.82 -2.27 0.00 0.00 179.45 178.55 2job h ILE 18 N 0.24 1.14 -0.72 2.00 1.08 -0.84 -0.29 117.51 120.11 2job h ILE 18 Ca 0.04 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.06 2job h ILE 18 Cb 0.53 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 2job h ILE 18 CO 0.04 0.13 0.28 0.58 -0.69 0.00 0.00 178.15 178.48 2job h VAL 19 N 0.09 1.25 -0.06 1.67 2.07 -1.35 -0.33 116.25 119.59 2job h VAL 19 Ca 0.05 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 2job h VAL 19 Cb 0.15 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2job h VAL 19 CO -0.01 0.32 -0.37 1.23 0.02 0.00 0.00 177.57 178.77 2job h GLY 20 N 1.10 0.14 -3.29 2.17 0.00 -1.21 -3.07 103.07 98.91 2job h GLY 20 Ca 0.24 -0.12 -0.47 0.00 0.00 0.00 0.00 47.33 46.99 2job h GLY 20 CO -0.02 0.11 -0.14 -0.10 0.00 0.00 0.00 176.54 176.39 2job n LEU 21 N -4.08 5.42 -4.84 3.11 0.00 -0.14 -5.01 117.00 111.46 2job n LEU 21 Ca -0.02 -4.33 -0.37 0.00 0.00 0.00 0.00 56.01 51.30 2job n LEU 21 Cb 0.43 -0.60 -0.07 0.00 0.00 0.00 0.00 43.42 43.18 2job n LEU 21 CO 0.40 1.68 -0.18 0.86 0.00 0.00 0.00 177.39 180.15 2job s TRP 22 N -3.55 3.54 0.00 1.96 -0.00 -0.19 -4.37 118.94 116.33 2job s TRP 22 Ca 0.53 0.47 0.00 0.00 -0.00 0.00 0.00 56.10 57.10 2job s TRP 22 Cb 0.44 -1.96 0.00 0.00 -0.00 0.00 0.00 33.47 31.94 2job s TRP 22 CO 0.01 0.65 0.00 -2.13 -0.00 0.00 0.00 176.95 175.49 2job n ARG 23 N 2.22 0.95 -0.32 5.86 0.00 0.28 -4.95 116.66 120.70 2job n ARG 23 Ca -0.19 0.00 0.20 0.00 -0.00 0.00 0.00 57.85 57.85 2job n ARG 23 Cb 0.54 0.00 0.39 0.00 0.00 0.00 0.00 32.46 33.40 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 0.09 0.00 6.15 4.21 -1.99 -3.30 115.58 120.73 2job h ASN 24 Ca 0.00 0.23 -0.14 0.00 1.21 0.00 0.00 56.30 57.59 2job h ASN 24 Cb 0.00 0.28 -0.13 0.00 -1.12 0.00 0.00 38.32 37.35 2job h ASN 24 CO 0.00 -0.25 -0.24 -1.84 -1.29 0.00 0.00 177.43 173.81 2job n GLU 25 N -5.25 1.05 -3.66 0.81 0.28 -1.26 -4.93 120.64 107.69 2job n GLU 25 Ca 0.28 -1.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.11 2job n GLU 25 Cb 0.89 0.39 -0.08 0.00 1.43 0.00 0.00 31.44 34.07 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 0.10 0.75 0.09 3.44 2.20 -1.25 -3.77 119.74 121.30 2job s LYS 26 Ca 0.07 0.86 -0.10 0.00 -0.36 0.00 0.00 55.97 56.44 2job s LYS 26 Cb 0.34 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 37.03 2job s LYS 26 CO -0.10 -0.10 0.21 -0.08 -0.36 0.00 0.00 175.35 174.93 2job s THR 27 N 0.28 0.13 -0.06 3.43 -1.32 -0.81 -0.55 115.64 116.74 2job s THR 27 Ca -0.00 -1.09 -0.05 0.00 -1.21 0.00 0.00 61.69 59.34 2job s THR 27 Cb -0.04 -1.28 -0.04 0.00 -1.51 0.00 0.00 72.50 69.63 2job s THR 27 CO 0.01 -0.60 0.16 -1.61 -2.21 0.00 0.00 174.62 170.37 2job s GLU 28 N -3.72 3.43 -0.20 7.08 2.02 -1.26 -0.14 118.70 125.91 2job s GLU 28 Ca 0.04 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2job s GLU 28 Cb 0.04 -3.13 0.05 0.00 0.10 0.00 0.00 34.13 31.18 2job s GLU 28 CO -0.10 0.72 -0.07 -0.51 0.02 0.00 0.00 175.26 175.32 2job s LEU 29 N -1.50 2.15 -1.87 1.80 1.43 0.95 -4.73 118.68 116.92 2job s LEU 29 Ca 0.21 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2job s LEU 29 Cb -0.12 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.99 2job s LEU 29 CO 0.12 -0.19 0.00 -0.11 0.23 0.00 0.00 176.35 176.40 2job n LEU 30 N 4.74 -1.78 0.00 1.79 7.94 -1.26 -1.04 117.00 127.40 2job n LEU 30 Ca -0.13 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2job n LEU 30 Cb 0.46 -2.87 0.00 0.00 0.53 0.00 0.00 43.42 41.54 2job n LEU 30 CO 0.18 -0.46 0.00 0.61 -1.11 0.00 0.00 177.39 176.61 2job n GLY 31 N -0.82 2.17 3.87 -3.96 0.00 -1.26 -5.05 105.19 100.14 2job n GLY 31 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.44 3.45 0.12 1.61 3.76 -0.20 -5.05 115.29 116.52 2job s HIS 32 Ca 0.00 0.99 -0.26 0.00 -0.15 0.00 0.00 55.06 55.65 2job s HIS 32 Cb 0.00 -2.39 -0.07 0.00 1.11 0.00 0.00 32.58 31.24 2job s HIS 32 CO 0.00 0.02 0.79 -1.21 -0.85 0.00 0.00 174.74 173.49 2job s GLU 33 N -3.52 4.56 0.23 1.40 2.02 -1.26 -0.04 118.70 122.09 2job s GLU 33 Ca 0.50 1.15 0.00 0.00 0.02 0.00 0.00 54.97 56.65 2job s GLU 33 Cb -0.10 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2job s GLU 33 CO 0.27 0.44 0.13 0.00 0.02 0.00 0.00 175.26 176.12 2job s LYS 35 N -4.05 1.63 -0.13 0.00 2.47 0.89 -1.92 119.74 118.63 2job s LYS 35 Ca 0.38 -1.49 -0.02 0.00 -1.56 0.00 0.00 55.97 53.28 2job s LYS 35 Cb 0.07 -2.88 -0.03 0.00 -1.46 0.00 0.00 37.83 33.53 2job s LYS 35 CO 0.14 -0.78 -0.05 0.12 0.16 0.00 0.00 175.35 174.93 2job s PHE 36 N 1.12 2.98 0.03 4.03 5.36 -1.25 -1.27 117.98 128.98 2job s PHE 36 Ca 0.02 -0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 55.74 2job s PHE 36 Cb -0.19 -1.88 -0.02 0.00 -0.34 0.00 0.00 43.02 40.59 2job s PHE 36 CO -0.09 0.05 -0.00 0.95 -1.46 0.00 0.00 175.22 174.67 2job s THR 37 N 0.03 0.15 -0.01 0.12 -4.23 -0.63 -3.76 115.64 107.31 2job s THR 37 Ca -0.00 -1.22 -0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2job s THR 37 Cb -0.14 -0.77 -0.00 0.00 1.34 0.00 0.00 72.50 72.93 2job s THR 37 CO 0.03 -0.67 0.04 0.54 -0.54 0.00 0.00 174.62 174.02 2job s VAL 38 N -2.43 0.04 -0.15 2.29 0.11 -1.26 -1.06 120.40 117.94 2job s VAL 38 Ca -0.07 -0.32 -0.07 0.00 -2.93 0.00 0.00 61.98 58.59 2job s VAL 38 Cb -0.03 -0.17 0.06 0.00 -1.53 0.00 0.00 36.38 34.71 2job s VAL 38 CO -0.04 -0.18 0.34 -0.75 -3.33 0.00 0.00 175.10 171.14 2job s LYS 39 N -0.54 0.30 0.44 1.54 2.20 0.66 -4.98 119.74 119.37 2job s LYS 39 Ca -0.06 0.72 -0.22 0.00 -0.36 0.00 0.00 55.97 56.05 2job s LYS 39 Cb -0.04 -0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.16 2job s LYS 39 CO -0.00 -0.18 1.01 -1.25 -0.36 0.00 0.00 175.35 174.57 2job s PRO 40 N 1.55 4.06 0.07 4.03 0.04 -1.26 -2.21 135.00 141.28 2job s PRO 40 Ca -0.08 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.29 2job s PRO 40 Cb -0.10 -2.26 -0.00 0.00 0.04 0.00 0.00 34.50 32.18 2job s PRO 40 CO -0.11 -0.20 0.04 0.66 0.04 0.00 0.00 177.00 177.43 2job n TYR 41 N -0.58 -0.05 -3.73 0.56 4.01 0.23 -4.93 117.16 112.66 2job n TYR 41 Ca 0.07 -0.53 -0.14 0.00 -0.16 0.00 0.00 57.90 57.15 2job n TYR 41 Cb 0.52 0.02 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 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 0.58 0.00 7.72 2.96 -1.26 -2.78 118.68 125.89 2job s LEU 42 Ca 0.06 0.44 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2job s LEU 42 Cb 0.00 1.41 0.04 0.00 0.50 0.00 0.00 46.19 48.14 2job s LEU 42 CO 0.04 -0.33 0.31 1.17 -1.32 0.00 0.00 176.35 176.22 2job n LYS 43 N 1.91 0.69 -0.38 1.98 3.00 0.61 -4.93 118.16 121.03 2job n LYS 43 Ca -0.18 -3.55 0.33 0.00 -0.00 0.00 0.00 58.31 54.92 2job n LYS 43 Cb 0.57 0.54 0.60 0.00 0.00 0.00 0.00 35.03 36.73 2job n LYS 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2job h ARG 44 N 0.00 0.08 -0.16 1.64 2.47 -2.04 -3.13 114.38 113.25 2job h ARG 44 Ca -0.37 -0.01 -0.22 0.00 -1.26 0.00 0.00 59.98 58.12 2job h ARG 44 Cb 1.29 -0.02 -0.20 0.00 -1.65 0.00 0.00 29.97 29.38 2job h ARG 44 CO 0.59 0.06 -0.50 0.34 0.56 0.00 0.00 179.97 181.02 2job n PHE 45 N -4.96 -1.56 -3.69 3.04 -0.00 -1.26 -5.14 117.46 103.89 2job n PHE 45 Ca 0.37 -1.97 -0.08 0.00 -0.00 0.00 0.00 57.45 55.77 2job n PHE 45 Cb 1.32 1.19 -0.02 0.00 -0.00 0.00 0.00 39.48 41.97 2job n PHE 45 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2job s GLN 46 N -0.60 1.43 -0.08 -4.13 -0.44 -1.18 -5.16 119.66 109.50 2job s GLN 46 Ca 0.19 -0.72 0.03 0.00 -2.50 0.00 0.00 55.36 52.36 2job s GLN 46 Cb 0.42 0.54 -0.02 0.00 -1.64 0.00 0.00 33.01 32.30 2job s GLN 46 CO -0.08 -0.65 -0.15 0.08 0.50 0.00 0.00 175.29 174.99 2job s VAL 47 N -3.66 2.96 -0.03 1.34 1.01 -1.26 -0.29 120.40 120.47 2job s VAL 47 Ca 0.08 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2job s VAL 47 Cb -0.03 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.19 2job s VAL 47 CO -0.01 0.57 0.01 -0.31 0.00 0.00 0.00 175.10 175.36 2job s TYR 48 N -0.30 0.26 0.22 5.22 2.02 -1.12 -4.79 117.35 118.86 2job s TYR 48 Ca 0.02 0.04 -0.06 0.00 -0.37 0.00 0.00 57.07 56.70 2job s TYR 48 Cb -0.13 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 40.95 2job s TYR 48 CO 0.03 -0.15 0.49 0.71 -1.57 0.00 0.00 175.55 175.06 2job s TYR 49 N 1.25 3.46 -0.02 2.71 1.51 0.10 -0.60 117.35 125.75 2job s TYR 49 Ca -0.07 0.68 -0.14 0.00 -1.01 0.00 0.00 57.07 56.53 2job s TYR 49 Cb -0.13 -2.12 0.02 0.00 -0.11 0.00 0.00 41.96 39.63 2job s TYR 49 CO -0.02 0.29 0.30 0.21 -1.11 0.00 0.00 175.55 175.22 2job s LYS 50 N -3.03 0.63 0.13 -0.62 2.20 -0.94 -1.03 119.74 117.09 2job s LYS 50 Ca 0.44 -0.14 -0.13 0.00 -0.36 0.00 0.00 55.97 55.77 2job s LYS 50 Cb -0.11 0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.51 2job s LYS 50 CO 0.25 -0.17 0.34 0.20 -0.36 0.00 0.00 175.35 175.62 2job s GLY 51 N -1.20 -0.03 -0.23 5.54 0.00 -0.17 -0.24 107.32 110.99 2job s GLY 51 Ca -0.12 -0.36 -0.19 0.00 0.00 0.00 0.00 44.72 44.05 2job s GLY 51 CO 0.04 -0.52 0.59 -1.60 0.00 0.00 0.00 173.10 171.61 2job s ARG 52 N -3.86 0.66 0.05 2.90 3.00 -0.22 -1.60 118.95 119.89 2job s ARG 52 Ca 0.07 0.89 0.02 0.00 -1.00 0.00 0.00 55.73 55.71 2job s ARG 52 Cb 0.02 0.26 -0.03 0.00 0.00 0.00 0.00 34.95 35.21 2job s ARG 52 CO -0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 175.30 175.05 2job s MET 53 N 0.66 0.55 0.04 5.12 0.23 0.31 -1.60 119.30 124.62 2job s MET 53 Ca -0.03 -0.85 -0.27 0.00 -1.03 0.00 0.00 55.69 53.51 2job s MET 53 Cb -0.05 -0.20 0.07 0.00 -1.53 0.00 0.00 34.83 33.12 2job s MET 53 CO -0.04 0.02 0.63 1.67 -2.03 0.00 0.00 175.02 175.27 2job s TRP 54 N -1.88 -0.59 -0.60 3.16 -2.14 -0.40 -0.86 118.94 115.63 2job s TRP 54 Ca -0.07 0.75 -0.03 0.00 2.66 0.00 0.00 56.10 59.42 2job s TRP 54 Cb -0.07 0.46 0.16 0.00 -3.10 0.00 0.00 33.47 30.92 2job s TRP 54 CO -0.01 -0.70 0.42 0.00 -2.66 0.00 0.00 176.95 173.99 2job s PRO 56 N 0.07 3.16 0.00 0.00 0.04 -1.26 -3.44 135.00 133.57 2job s PRO 56 Ca 0.16 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 60.55 2job s PRO 56 Cb -0.20 -5.07 0.00 0.00 0.04 0.00 0.00 34.50 29.27 2job s PRO 56 CO -0.04 -2.60 0.00 0.41 0.04 0.00 0.00 177.00 174.81 2job n GLY 57 N 6.63 2.62 0.09 0.56 0.00 -1.26 -4.98 105.19 108.84 2job n GLY 57 Ca 0.31 -0.32 -0.10 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 -0.08 -2.00 1.61 7.01 -1.84 -3.49 115.95 117.15 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 0.48 -0.00 -2.37 -2.79 0.00 0.00 178.44 173.76 2job n THR 59 N -4.79 0.00 -2.94 2.65 5.66 -1.23 -5.08 114.28 108.54 2job n THR 59 Ca -0.07 -0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.65 2job n THR 59 Cb 0.29 0.00 -0.04 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 4.75 -2.47 1.79 0.00 -1.26 -4.61 120.51 115.71 2job n ALA 60 Ca -0.00 -4.71 -0.19 0.00 0.00 0.00 0.00 53.44 48.54 2job n ALA 60 Cb 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.50 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 -4.36 1.48 0.08 0.00 1.01 -1.26 -5.12 121.20 113.02 2job s ILE 61 Ca 0.48 -1.80 0.01 0.00 0.00 0.00 0.00 60.65 59.34 2job s ILE 61 Cb 0.27 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2job s ILE 61 CO -0.13 -0.40 -0.05 0.00 0.00 0.00 0.00 174.94 174.36 2job s ARG 62 N -2.76 0.76 -0.01 2.79 1.70 -1.26 -3.95 118.95 116.21 2job s ARG 62 Ca 0.11 -1.30 -0.00 0.00 -0.47 0.00 0.00 55.73 54.07 2job s ARG 62 Cb -0.05 -0.04 0.01 0.00 -0.57 0.00 0.00 34.95 34.30 2job s ARG 62 CO 0.04 -0.06 0.02 0.20 -1.08 0.00 0.00 175.30 174.42 2job s GLY 63 N -3.00 0.03 0.05 3.88 0.00 -0.04 -4.48 107.32 103.76 2job s GLY 63 Ca 0.11 0.17 0.02 0.00 0.00 0.00 0.00 44.72 45.02 2job s GLY 63 CO -0.06 0.33 -0.07 -0.54 0.00 0.00 0.00 173.10 172.75 2job s GLU 64 N 0.47 0.57 -0.28 2.90 2.02 -1.26 -0.53 118.70 122.59 2job s GLU 64 Ca -0.04 -0.86 -0.21 0.00 0.02 0.00 0.00 54.97 53.89 2job s GLU 64 Cb -0.06 -0.25 0.10 0.00 0.10 0.00 0.00 34.13 34.02 2job s GLU 64 CO -0.01 0.03 0.82 0.00 0.02 0.00 0.00 175.26 176.12 2job s ALA 65 N -1.80 -1.93 0.01 5.21 0.00 -0.62 -4.64 121.76 117.99 2job s ALA 65 Ca -0.06 2.14 0.01 0.00 0.00 0.00 0.00 51.96 54.05 2job s ALA 65 Cb -0.07 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.65 2job s ALA 65 CO -0.01 -0.33 -0.05 -1.12 0.00 0.00 0.00 175.76 174.25 2job s SER 66 N 0.86 0.57 0.20 0.00 0.01 -1.26 -1.00 113.70 113.07 2job s SER 66 Ca -0.04 -0.20 -0.22 0.00 1.31 0.00 0.00 55.95 56.80 2job s SER 66 Cb -0.05 -0.03 0.07 0.00 0.21 0.00 0.00 66.02 66.23 2job s SER 66 CO -0.09 -0.02 1.01 0.28 0.41 0.00 0.00 173.24 174.83 2job s THR 67 N -0.44 0.00 0.28 1.44 -1.32 -0.20 -4.97 115.64 110.42 2job s THR 67 Ca -0.02 -0.63 0.08 0.00 -1.21 0.00 0.00 61.69 59.92 2job s THR 67 Cb -0.04 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.20 2job s THR 67 CO -0.00 0.00 1.64 0.03 -2.21 0.00 0.00 174.62 174.08 2job h ARG 68 N 2.00 0.12 -6.97 7.08 -0.00 -1.87 0.32 114.38 115.06 2job h ARG 68 Ca -0.27 -0.07 -0.53 0.00 -0.50 0.00 0.00 59.98 58.60 2job h ARG 68 Cb 1.22 0.01 0.10 0.00 0.00 0.00 0.00 29.97 31.30 2job h ARG 68 CO 0.35 0.64 0.64 -1.54 0.00 0.00 0.00 179.97 180.05 2job s SER 69 N -6.88 6.07 -0.14 7.04 1.04 -1.26 -4.54 113.70 115.03 2job s SER 69 Ca -0.03 2.74 -0.27 0.00 0.48 0.00 0.00 55.95 58.88 2job s SER 69 Cb 0.13 -2.64 -0.24 0.00 0.10 0.00 0.00 66.02 63.37 2job s SER 69 CO 0.77 -1.02 0.68 1.56 0.98 0.00 0.00 173.24 176.21 2job h GLN 70 N 2.43 0.00 0.00 4.02 4.20 -1.98 -3.22 115.11 120.56 2job h GLN 70 Ca -0.50 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 57.97 2job h GLN 70 Cb 1.26 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 2job h GLN 70 CO 0.62 0.93 -1.38 0.77 -0.67 0.00 0.00 178.83 179.09 2job h SER 71 N -1.00 0.00 -0.90 1.46 0.02 -1.99 -3.34 113.55 107.80 2job h SER 71 Ca -0.02 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2job h SER 71 Cb 0.95 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.45 2job h SER 71 CO -0.01 0.93 0.60 1.23 -1.14 0.00 0.00 176.83 178.43 2job h GLY 72 N 3.37 1.27 1.34 -3.77 0.00 -1.97 -1.77 103.07 101.54 2job h GLY 72 Ca -0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 2job h GLY 72 CO 0.09 0.47 0.25 -0.24 0.00 0.00 0.00 176.54 177.11 2job h VAL 73 N 1.23 1.21 -0.23 4.60 3.04 -1.67 -1.09 116.25 123.33 2job h VAL 73 Ca 0.33 -0.62 -0.07 0.00 -1.01 0.00 0.00 66.70 65.33 2job h VAL 73 Cb -0.14 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 29.62 2job h VAL 73 CO -0.07 0.25 -0.14 0.00 -1.01 0.00 0.00 177.57 176.59 2job h ALA 74 N 1.44 0.33 -0.50 3.17 0.00 -1.49 -1.70 119.26 120.51 2job h ALA 74 Ca 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2job h ALA 74 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2job h ALA 74 CO -0.02 0.21 0.19 0.78 0.00 0.00 0.00 179.25 180.42 2job h GLY 75 N 0.22 0.76 1.24 0.00 0.00 -1.07 -2.30 103.07 101.93 2job h GLY 75 Ca 0.05 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 2job h GLY 75 CO 0.04 0.36 -0.40 0.50 0.00 0.00 0.00 176.54 177.04 2job h LYS 76 N 0.71 0.83 -0.51 4.80 1.79 -1.05 -0.90 116.57 122.24 2job h LYS 76 Ca 0.17 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 2job h LYS 76 Cb 0.15 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2job h LYS 76 CO -0.02 1.07 0.33 1.15 -1.08 0.00 0.00 179.45 180.90 2job h THR 77 N 0.68 1.14 -0.24 -0.16 2.02 -0.78 0.21 112.91 115.77 2job h THR 77 Ca 0.05 -0.27 -0.14 0.00 0.77 0.00 0.00 66.41 66.83 2job h THR 77 Cb 0.97 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2job h THR 77 CO 0.09 0.13 -0.44 0.00 0.37 0.00 0.00 175.52 175.68 2job h ALA 78 N 1.17 0.79 -0.55 6.16 0.00 -1.36 -2.71 119.26 122.77 2job h ALA 78 Ca 0.18 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 2job h ALA 78 Cb -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2job h ALA 78 CO -0.04 0.66 -0.10 -0.22 0.00 0.00 0.00 179.25 179.55 2job h LYS 79 N 0.48 1.03 -0.74 0.00 3.64 -0.62 -1.02 116.57 119.34 2job h LYS 79 Ca 0.03 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.00 2job h LYS 79 Cb 0.95 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2job h LYS 79 CO 0.09 1.06 0.30 -0.44 -2.27 0.00 0.00 179.45 178.19 2job h ASP 80 N 0.92 1.01 -0.37 4.20 3.32 -0.50 0.25 116.42 125.25 2job h ASP 80 Ca 0.14 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 2job h ASP 80 Cb 0.67 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 2job h ASP 80 CO 0.05 0.91 -0.30 0.15 -1.72 0.00 0.00 179.24 178.32 2job h PHE 81 N 1.06 1.02 -0.51 4.55 3.04 -1.32 -1.70 116.94 123.07 2job h PHE 81 Ca 0.25 -0.29 -0.09 0.00 3.98 0.00 0.00 57.97 61.82 2job h PHE 81 Cb 0.21 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.47 2job h PHE 81 CO 0.02 1.08 -0.04 0.28 -2.02 0.00 0.00 178.31 177.63 2job h VAL 82 N 0.66 1.26 -0.52 1.41 2.07 -0.86 -1.88 116.25 118.39 2job h VAL 82 Ca 0.07 -1.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.36 2job h VAL 82 Cb 0.88 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 2job h VAL 82 CO 0.08 0.40 -0.08 -0.09 0.02 0.00 0.00 177.57 177.89 2job h ARG 83 N 0.82 0.94 -0.60 1.57 1.12 -0.39 -0.65 114.38 117.19 2job h ARG 83 Ca 0.15 -0.32 -0.09 0.00 -1.11 0.00 0.00 59.98 58.61 2job h ARG 83 Cb 0.54 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 30.41 2job h ARG 83 CO 0.03 0.98 0.03 0.87 -3.11 0.00 0.00 179.97 178.78 2job h LYS 84 N 0.85 1.03 -0.21 0.20 1.79 -1.03 -2.00 116.57 117.20 2job h LYS 84 Ca 0.14 -0.30 -0.14 0.00 -2.18 0.00 0.00 60.65 58.18 2job h LYS 84 Cb 0.61 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2job h LYS 84 CO 0.04 0.99 -0.44 0.00 -1.08 0.00 0.00 179.45 178.96 2job h ALA 85 N 1.08 0.85 -0.67 3.86 0.00 -1.11 -2.40 119.26 120.87 2job h ALA 85 Ca 0.18 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2job h ALA 85 Cb 0.50 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2job h ALA 85 CO 0.02 0.65 0.29 0.74 0.00 0.00 0.00 179.25 180.95 2job h PHE 86 N 0.42 1.00 -0.36 0.00 0.04 -0.77 0.13 116.94 117.40 2job h PHE 86 Ca 0.03 -0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 2job h PHE 86 Cb 0.93 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 2job h PHE 86 CO 0.04 0.77 -0.24 1.96 -0.60 0.00 0.00 178.31 180.23 2job h GLN 87 N 0.94 0.71 0.18 1.51 1.08 -1.24 -3.29 115.11 115.01 2job h GLN 87 Ca 0.23 -0.29 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 2job h GLN 87 Cb 0.17 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 2job h GLN 87 CO -0.02 0.89 -0.09 0.87 -0.95 0.00 0.00 178.83 179.53 2job h LYS 88 N 0.62 -0.23 0.00 1.46 1.57 -1.08 -3.49 116.57 115.42 2job h LYS 88 Ca 0.08 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2job h LYS 88 Cb 0.74 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2job h LYS 88 CO 0.06 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.50 2job n GLY 89 N 0.69 0.25 1.13 3.86 0.00 0.38 -5.09 105.19 106.41 2job n GLY 89 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.04 -4.37 0.99 4.77 -0.67 -4.96 117.00 112.81 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 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 2job n LEU 90 CO 0.00 -0.07 0.26 -0.63 -1.33 0.00 0.00 177.39 175.62 2job s ILE 91 N -2.00 5.01 0.92 -0.08 1.01 -1.25 -5.01 121.20 119.80 2job s ILE 91 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 60.65 59.42 2job s ILE 91 Cb 0.00 -4.36 0.15 0.00 0.01 0.00 0.00 42.46 38.26 2job s ILE 91 CO 0.00 -0.92 1.22 -0.44 0.00 0.00 0.00 174.94 174.80 2job s SER 92 N 3.33 3.48 -0.04 3.58 0.01 -1.26 -4.53 113.70 118.27 2job s SER 92 Ca 0.08 0.60 -0.23 0.00 1.31 0.00 0.00 55.95 57.71 2job s SER 92 Cb -0.25 -0.91 -0.17 0.00 0.21 0.00 0.00 66.02 64.89 2job s SER 92 CO 0.06 -2.53 1.04 1.56 0.41 0.00 0.00 173.24 173.78 2job h GLN 93 N -1.50 -0.18 0.00 12.44 7.50 -2.00 -2.44 115.11 128.94 2job h GLN 93 Ca -0.46 0.01 -0.05 0.00 0.50 0.00 0.00 58.65 58.65 2job h GLN 93 Cb 1.29 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.85 2job h GLN 93 CO 0.52 0.27 -0.24 -0.56 -1.50 0.00 0.00 178.83 177.31 2job h GLN 94 N -0.74 0.00 -0.33 1.46 -0.00 -2.00 -2.58 115.11 110.92 2job h GLN 94 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.55 2job h GLN 94 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.00 2job h GLN 94 CO 0.03 0.24 -0.13 0.93 -0.00 0.00 0.00 178.83 179.91 2job h GLU 95 N 0.00 0.66 -0.87 0.06 4.39 -1.93 -1.75 114.58 115.14 2job h GLU 95 Ca -0.00 -0.28 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 2job h GLU 95 Cb 0.44 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 2job h GLU 95 CO 0.03 0.86 0.50 0.00 -1.16 0.00 0.00 179.01 179.24 2job h ALA 96 N 0.78 1.11 -0.77 3.43 0.00 -1.14 -1.62 119.26 121.06 2job h ALA 96 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2job h ALA 96 Cb 0.64 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2job h ALA 96 CO 0.04 0.60 0.35 -0.91 0.00 0.00 0.00 179.25 179.33 2job h ASN 97 N 1.21 1.01 -0.68 0.00 4.21 -1.28 0.62 115.58 120.66 2job h ASN 97 Ca 0.31 -0.13 -0.08 0.00 1.21 0.00 0.00 56.30 57.62 2job h ASN 97 Cb -0.00 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 36.91 2job h ASN 97 CO -0.05 0.86 0.13 -0.61 -1.29 0.00 0.00 177.43 176.47 2job h GLN 98 N 1.10 1.12 -0.19 0.81 5.75 -0.56 -0.19 115.11 122.95 2job h GLN 98 Ca 0.26 -0.29 -0.16 0.00 -0.15 0.00 0.00 58.65 58.32 2job h GLN 98 Cb 0.14 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2job h GLN 98 CO -0.03 1.01 -0.54 2.35 -2.65 0.00 0.00 178.83 178.97 2job h TRP 99 N 1.05 0.68 -0.12 3.99 7.01 -0.84 -2.85 115.95 124.87 2job h TRP 99 Ca 0.21 -0.24 -0.14 0.00 2.11 0.00 0.00 58.89 60.83 2job h TRP 99 Cb 0.42 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 2job h TRP 99 CO 0.03 0.96 -0.55 -0.07 -2.79 0.00 0.00 178.44 176.03 2job h LEU 100 N 0.42 0.39 -0.30 0.65 -0.00 -0.60 -3.20 115.31 112.68 2job h LEU 100 Ca 0.01 -0.21 -0.11 0.00 -0.00 0.00 0.00 57.88 57.57 2job h LEU 100 Cb 1.07 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 2job h LEU 100 CO 0.10 0.86 -0.24 0.77 -0.00 0.00 0.00 178.44 179.94 2job h SER 101 N 0.27 0.72 0.00 -0.43 4.64 -0.97 -3.51 113.55 114.28 2job h SER 101 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2job h SER 101 Cb 1.05 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2job h SER 101 CO 0.09 1.02 0.00 -0.24 -0.87 0.00 0.00 176.83 176.83