#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 0.46 -2.63 0.62 0.00 -1.26 -5.16 120.51 112.54 2job n ALA 2 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.17 2job n ALA 2 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2job n ALA 2 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2job n TYR 3 N -1.19 -1.40 0.00 0.00 4.01 -1.26 -4.63 117.16 112.69 2job n TYR 3 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2job n TYR 3 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2job n TYR 3 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2job n VAL 4 N -0.47 0.00 -2.35 -0.72 0.31 -1.26 -4.37 118.33 109.47 2job n VAL 4 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 2job n VAL 4 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 2job n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2job n GLN 5 N 0.00 4.70 -0.24 5.55 6.02 -1.26 -4.73 117.38 127.42 2job n GLN 5 Ca 0.00 -4.16 -0.00 0.00 -0.01 0.00 0.00 57.00 52.83 2job n GLN 5 Cb 0.00 -2.45 0.21 0.00 1.02 0.00 0.00 30.24 29.03 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 4.21 1.11 0.99 1.08 0.00 -1.82 -2.27 103.07 106.37 2job h GLY 6 Ca 0.57 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 2job h GLY 6 CO 1.26 0.42 0.20 1.49 0.00 0.00 0.00 176.54 179.92 2job h TRP 7 N 1.06 0.88 -0.65 5.60 4.06 -1.97 -2.10 115.95 122.82 2job h TRP 7 Ca 0.28 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 61.14 2job h TRP 7 Cb -0.08 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 27.79 2job h TRP 7 CO 0.00 0.73 0.33 1.49 -3.56 0.00 0.00 178.44 177.43 2job h GLU 8 N 0.78 0.91 -0.35 0.49 4.22 -1.81 0.26 114.58 119.08 2job h GLU 8 Ca 0.19 -0.11 -0.08 0.00 0.08 0.00 0.00 59.36 59.43 2job h GLU 8 Cb 0.24 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2job h GLU 8 CO -0.01 0.69 -0.11 0.00 -2.18 0.00 0.00 179.01 177.41 2job h ALA 9 N 1.45 0.49 -0.39 2.92 0.00 -1.09 0.29 119.26 122.92 2job h ALA 9 Ca 0.23 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 2job h ALA 9 Cb 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2job h ALA 9 CO -0.03 0.36 -0.30 0.28 0.00 0.00 0.00 179.25 179.55 2job h VAL 10 N 0.48 1.28 -0.30 0.00 2.07 -0.99 -2.48 116.25 116.32 2job h VAL 10 Ca 0.09 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 2job h VAL 10 Cb 0.62 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2job h VAL 10 CO 0.04 0.49 0.10 0.00 0.02 0.00 0.00 177.57 178.22 2job h ALA 11 N 0.93 0.39 -0.70 1.67 0.00 -0.33 -2.30 119.26 118.92 2job h ALA 11 Ca 0.08 -0.14 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2job h ALA 11 Cb 0.86 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 2job h ALA 11 CO 0.08 0.00 0.25 0.00 0.00 0.00 0.00 179.25 179.58 2job h ALA 12 N 0.94 0.93 -0.96 0.00 0.00 -0.23 0.14 119.26 120.09 2job h ALA 12 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2job h ALA 12 Cb 0.22 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2job h ALA 12 CO -0.01 -0.22 0.60 0.00 0.00 0.00 0.00 179.25 179.62 2job h ALA 13 N 1.51 1.23 -0.54 0.00 0.00 -1.13 -1.81 119.26 118.52 2job h ALA 13 Ca 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2job h ALA 13 Cb 0.54 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2job h ALA 13 CO -0.38 0.66 0.31 0.28 0.00 0.00 0.00 179.25 180.12 2job h VAL 14 N 1.32 1.17 -0.71 0.00 2.07 -0.24 -2.08 116.25 117.78 2job h VAL 14 Ca 0.35 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.50 2job h VAL 14 Cb -0.09 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.09 2job h VAL 14 CO -0.07 0.18 0.44 0.00 0.02 0.00 0.00 177.57 178.14 2job h ALA 15 N 1.15 0.94 -0.83 1.67 0.00 -0.42 0.69 119.26 122.45 2job h ALA 15 Ca 0.19 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2job h ALA 15 Cb 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 2job h ALA 15 CO -0.03 0.20 0.54 0.77 0.00 0.00 0.00 179.25 180.73 2job h SER 16 N 0.85 0.92 0.27 0.00 0.02 -0.88 0.17 113.55 114.90 2job h SER 16 Ca 0.29 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.11 2job h SER 16 Cb 0.05 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2job h SER 16 CO -0.12 0.65 -0.46 0.50 -1.14 0.00 0.00 176.83 176.25 2job h LYS 17 N 1.08 0.24 -0.07 3.45 1.63 -0.66 -0.62 116.57 121.62 2job h LYS 17 Ca 0.32 -0.12 -0.07 0.00 -0.85 0.00 0.00 60.65 59.93 2job h LYS 17 Cb -0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2job h LYS 17 CO -0.09 0.65 -0.21 0.82 -3.45 0.00 0.00 179.45 177.17 2job h ILE 18 N 0.19 1.42 -0.45 2.00 2.04 0.14 -2.21 117.51 120.65 2job h ILE 18 Ca 0.01 -1.57 -0.13 0.00 1.00 0.00 0.00 64.86 64.18 2job h ILE 18 Cb 0.89 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2job h ILE 18 CO 0.07 0.44 -0.23 0.58 0.00 0.00 0.00 178.15 179.02 2job h VAL 19 N -0.21 1.27 0.00 1.67 2.07 -0.68 0.15 116.25 120.52 2job h VAL 19 Ca -0.01 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.14 2job h VAL 19 Cb 0.83 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2job h VAL 19 CO 0.05 0.47 0.00 1.23 0.02 0.00 0.00 177.57 179.34 2job h GLY 20 N 0.91 0.00 -0.93 2.17 0.00 -1.15 -3.17 103.07 100.89 2job h GLY 20 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 2job h GLY 20 CO 0.07 0.00 -0.40 -0.10 0.00 0.00 0.00 176.54 176.11 2job n LEU 21 N -2.52 1.72 -4.78 3.11 7.94 -0.83 -5.05 117.00 116.58 2job n LEU 21 Ca 0.02 -2.67 -0.38 0.00 -1.11 0.00 0.00 56.01 51.87 2job n LEU 21 Cb 0.28 -0.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.87 2job n LEU 21 CO 0.23 0.75 0.16 0.86 -1.11 0.00 0.00 177.39 178.29 2job s TRP 22 N -1.90 3.65 0.00 1.96 -0.00 0.50 -4.62 118.94 118.53 2job s TRP 22 Ca 0.27 0.99 0.00 0.00 -0.00 0.00 0.00 56.10 57.36 2job s TRP 22 Cb 0.26 -2.44 0.00 0.00 -0.00 0.00 0.00 33.47 31.29 2job s TRP 22 CO -0.03 0.43 0.00 -2.13 -0.00 0.00 0.00 176.95 175.21 2job n ARG 23 N 2.62 1.48 -0.32 5.86 0.63 -0.06 -4.96 116.66 121.91 2job n ARG 23 Ca -0.10 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 56.95 2job n ARG 23 Cb 0.52 0.00 0.30 0.00 0.45 0.00 0.00 32.46 33.73 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 0.52 -0.03 6.15 2.35 -1.98 -3.33 115.58 119.26 2job h ASN 24 Ca 0.00 0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.71 2job h ASN 24 Cb 0.00 0.05 -0.17 0.00 0.05 0.00 0.00 38.32 38.26 2job h ASN 24 CO 0.00 0.12 -0.34 -1.84 -1.65 0.00 0.00 177.43 173.72 2job n GLU 25 N -4.92 1.08 -3.82 0.81 0.28 -1.26 -4.85 120.64 107.96 2job n GLU 25 Ca 0.22 -1.32 -0.12 0.00 -0.16 0.00 0.00 57.16 55.78 2job n GLU 25 Cb 0.60 0.31 -0.10 0.00 1.43 0.00 0.00 31.44 33.68 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 -0.14 0.49 0.06 3.44 2.20 -1.25 -4.10 119.74 120.45 2job s LYS 26 Ca 0.09 -0.16 -0.22 0.00 -0.36 0.00 0.00 55.97 55.32 2job s LYS 26 Cb 0.35 0.22 0.05 0.00 -1.51 0.00 0.00 37.83 36.94 2job s LYS 26 CO -0.10 -0.12 0.53 -0.08 -0.36 0.00 0.00 175.35 175.22 2job s THR 27 N -1.00 0.03 0.10 3.43 -1.32 -0.56 -0.88 115.64 115.44 2job s THR 27 Ca -0.11 -0.23 0.06 0.00 -1.21 0.00 0.00 61.69 60.20 2job s THR 27 Cb -0.05 -0.99 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 2job s THR 27 CO 0.02 -0.13 -0.07 -1.61 -2.21 0.00 0.00 174.62 170.62 2job s GLU 28 N -2.64 2.26 -0.07 7.08 2.02 -1.26 0.27 118.70 126.35 2job s GLU 28 Ca -0.04 -0.96 -0.03 0.00 0.02 0.00 0.00 54.97 53.95 2job s GLU 28 Cb -0.00 -2.38 0.04 0.00 0.10 0.00 0.00 34.13 31.89 2job s GLU 28 CO -0.03 0.52 0.15 -0.51 0.02 0.00 0.00 175.26 175.41 2job s LEU 29 N -2.22 0.24 -1.36 1.80 1.43 -0.44 -4.86 118.68 113.26 2job s LEU 29 Ca 0.23 0.31 -0.07 0.00 -1.03 0.00 0.00 54.13 53.56 2job s LEU 29 Cb -0.11 0.29 0.05 0.00 0.03 0.00 0.00 46.19 46.44 2job s LEU 29 CO 0.15 -0.21 0.50 -0.11 0.23 0.00 0.00 176.35 176.91 2job n LEU 30 N 4.90 -1.91 -0.39 1.79 7.94 -1.26 -0.60 117.00 127.47 2job n LEU 30 Ca -0.13 -0.32 -0.04 0.00 -1.11 0.00 0.00 56.01 54.41 2job n LEU 30 Cb 0.50 -2.41 -0.01 0.00 0.53 0.00 0.00 43.42 42.04 2job n LEU 30 CO 0.10 0.16 -0.04 0.61 -1.11 0.00 0.00 177.39 177.11 2job n GLY 31 N -1.27 0.36 3.41 -3.96 0.00 -1.26 -5.04 105.19 97.42 2job n GLY 31 Ca -0.06 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.17 1.89 -0.10 1.61 3.76 0.23 -5.13 115.29 115.38 2job s HIS 32 Ca 0.00 -0.66 -0.19 0.00 -0.15 0.00 0.00 55.06 54.06 2job s HIS 32 Cb 0.00 -1.03 -0.04 0.00 1.11 0.00 0.00 32.58 32.62 2job s HIS 32 CO 0.00 0.30 0.51 -2.00 -0.85 0.00 0.00 174.74 172.70 2job s GLU 33 N -3.71 4.35 0.22 1.40 2.56 -1.26 -1.33 118.70 120.93 2job s GLU 33 Ca 0.28 0.52 0.02 0.00 0.00 0.00 0.00 54.97 55.79 2job s GLU 33 Cb 0.02 -3.43 -0.05 0.00 2.00 0.00 0.00 34.13 32.68 2job s GLU 33 CO 0.11 0.16 0.05 0.00 -0.56 0.00 0.00 175.26 175.02 2job s LYS 35 N -3.96 1.55 -0.10 0.00 2.20 0.62 -1.49 119.74 118.57 2job s LYS 35 Ca 0.31 -0.95 -0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2job s LYS 35 Cb 0.07 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.81 2job s LYS 35 CO 0.09 -0.60 -0.08 0.12 -0.36 0.00 0.00 175.35 174.52 2job s PHE 36 N 1.43 2.91 0.08 4.03 2.19 -1.26 -0.93 117.98 126.43 2job s PHE 36 Ca -0.05 -0.18 -0.13 0.00 0.33 0.00 0.00 56.93 56.90 2job s PHE 36 Cb -0.19 -1.78 0.02 0.00 -1.31 0.00 0.00 43.02 39.76 2job s PHE 36 CO -0.06 0.15 0.31 0.95 1.83 0.00 0.00 175.22 178.39 2job s THR 37 N -0.35 0.09 0.03 0.12 -4.23 -1.01 -3.90 115.64 106.39 2job s THR 37 Ca 0.05 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.81 2job s THR 37 Cb -0.12 -1.12 -0.02 0.00 1.34 0.00 0.00 72.50 72.58 2job s THR 37 CO 0.02 -0.43 -0.10 -0.69 -0.54 0.00 0.00 174.62 172.88 2job s VAL 38 N -3.30 0.81 -0.12 2.29 1.01 -1.26 -1.54 120.40 118.29 2job s VAL 38 Ca 0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2job s VAL 38 Cb 0.02 -0.75 0.04 0.00 0.00 0.00 0.00 36.38 35.68 2job s VAL 38 CO -0.08 -0.04 0.30 -0.75 0.00 0.00 0.00 175.10 174.52 2job s LYS 39 N -0.95 0.32 0.53 2.72 2.47 0.67 -4.98 119.74 120.52 2job s LYS 39 Ca -0.01 0.48 -0.17 0.00 -1.56 0.00 0.00 55.97 54.71 2job s LYS 39 Cb -0.07 0.08 -0.07 0.00 -1.46 0.00 0.00 37.83 36.31 2job s LYS 39 CO 0.01 -0.08 1.01 -1.25 0.16 0.00 0.00 175.35 175.19 2job s PRO 40 N 0.55 3.78 0.00 4.03 0.04 -1.26 -1.26 135.00 140.88 2job s PRO 40 Ca -0.03 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2job s PRO 40 Cb -0.05 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2job s PRO 40 CO -0.03 -0.42 0.00 0.66 0.04 0.00 0.00 177.00 177.25 2job n TYR 41 N -1.64 -0.12 -4.01 0.56 4.01 0.65 -4.86 117.16 111.74 2job n TYR 41 Ca 0.07 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.73 2job n TYR 41 Cb 0.54 0.00 -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 2.02 0.39 7.72 2.96 -1.26 -2.68 118.68 127.83 2job s LEU 42 Ca 0.00 -0.89 0.04 0.00 -0.22 0.00 0.00 54.13 53.06 2job s LEU 42 Cb 0.00 0.53 -0.03 0.00 0.50 0.00 0.00 46.19 47.19 2job s LEU 42 CO 0.00 -0.66 0.16 -0.75 -1.32 0.00 0.00 176.35 173.77 2job s LYS 43 N -3.91 1.88 0.41 1.98 2.47 0.17 -4.83 119.74 117.90 2job s LYS 43 Ca 0.08 -2.13 0.26 0.00 -1.56 0.00 0.00 55.97 52.62 2job s LYS 43 Cb 0.07 -0.41 1.39 0.00 -1.46 0.00 0.00 37.83 37.42 2job s LYS 43 CO -0.09 -0.51 1.60 -0.09 0.16 0.00 0.00 175.35 176.41 2job h ARG 44 N 1.88 0.05 -0.05 4.03 1.12 -2.03 -3.15 114.38 116.22 2job h ARG 44 Ca -0.33 -0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.37 2job h ARG 44 Cb 1.26 -0.01 -0.19 0.00 -0.01 0.00 0.00 29.97 31.02 2job h ARG 44 CO 0.53 0.03 -0.44 1.97 -3.11 0.00 0.00 179.97 178.95 2job n PHE 45 N -4.94 -0.83 -3.54 2.20 1.16 -1.26 -5.14 117.46 105.10 2job n PHE 45 Ca 0.38 -1.26 -0.09 0.00 -1.87 0.00 0.00 57.45 54.61 2job n PHE 45 Cb 1.39 0.87 -0.02 0.00 -1.61 0.00 0.00 39.48 40.11 2job n PHE 45 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2job s GLN 46 N -0.38 1.23 -0.08 3.97 0.74 -1.19 -5.16 119.66 118.80 2job s GLN 46 Ca 0.10 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 54.94 2job s GLN 46 Cb 0.28 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.87 2job s GLN 46 CO -0.08 -0.55 0.11 0.08 -0.55 0.00 0.00 175.29 174.31 2job s VAL 47 N -3.57 5.18 -0.01 1.34 1.01 -1.26 0.43 120.40 123.51 2job s VAL 47 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 2job s VAL 47 Cb -0.02 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.09 2job s VAL 47 CO -0.07 0.53 0.03 -0.31 0.00 0.00 0.00 175.10 175.28 2job s TYR 48 N -1.08 -0.01 -0.11 5.22 2.02 -1.09 -4.76 117.35 117.54 2job s TYR 48 Ca 0.18 0.10 -0.12 0.00 -0.37 0.00 0.00 57.07 56.86 2job s TYR 48 Cb -0.12 -0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.31 2job s TYR 48 CO 0.08 -0.04 0.27 0.71 -1.57 0.00 0.00 175.55 174.99 2job s TYR 49 N 0.42 3.56 0.14 2.71 1.51 0.97 -0.26 117.35 126.41 2job s TYR 49 Ca -0.03 0.67 0.06 0.00 -1.01 0.00 0.00 57.07 56.75 2job s TYR 49 Cb -0.05 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 2job s TYR 49 CO -0.01 0.48 -0.13 0.21 -1.11 0.00 0.00 175.55 174.98 2job s LYS 50 N -0.34 1.08 -0.00 -0.62 2.36 -0.39 -0.38 119.74 121.45 2job s LYS 50 Ca 0.17 -1.35 -0.13 0.00 -2.55 0.00 0.00 55.97 52.12 2job s LYS 50 Cb -0.14 -0.88 0.02 0.00 -1.05 0.00 0.00 37.83 35.78 2job s LYS 50 CO 0.06 0.15 0.26 0.20 1.55 0.00 0.00 175.35 177.57 2job s GLY 51 N -2.76 -0.09 -0.13 5.54 0.00 -0.17 -0.23 107.32 109.48 2job s GLY 51 Ca 0.13 0.16 -0.10 0.00 0.00 0.00 0.00 44.72 44.90 2job s GLY 51 CO 0.03 -0.03 0.34 -1.60 0.00 0.00 0.00 173.10 171.84 2job s ARG 52 N -1.47 0.37 0.06 2.90 3.00 -0.59 -0.62 118.95 122.60 2job s ARG 52 Ca -0.13 0.55 0.03 0.00 -1.00 0.00 0.00 55.73 55.18 2job s ARG 52 Cb -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 34.95 34.97 2job s ARG 52 CO 0.03 -0.09 -0.08 0.00 0.00 0.00 0.00 175.30 175.15 2job s MET 53 N 0.61 0.65 0.26 5.12 0.23 -0.08 -2.40 119.30 123.70 2job s MET 53 Ca -0.03 -0.94 -0.02 0.00 -1.03 0.00 0.00 55.69 53.67 2job s MET 53 Cb -0.05 -0.35 0.01 0.00 -1.53 0.00 0.00 34.83 32.91 2job s MET 53 CO -0.04 0.05 0.38 -2.67 -2.03 0.00 0.00 175.02 170.71 2job n TRP 54 N 1.04 -1.24 -3.64 3.16 2.14 -0.11 -1.61 117.44 117.18 2job n TRP 54 Ca -0.20 -1.72 -0.29 0.00 2.07 0.00 0.00 57.50 57.36 2job n TRP 54 Cb 0.56 0.43 -0.14 0.00 -0.81 0.00 0.00 31.31 31.35 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 1.07 3.20 0.00 0.00 0.04 -1.25 -3.33 135.00 134.74 2job s PRO 56 Ca 0.15 -0.84 0.00 0.00 0.04 0.00 0.00 61.00 60.35 2job s PRO 56 Cb -0.21 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.07 2job s PRO 56 CO -0.10 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 174.68 2job n GLY 57 N 6.82 3.92 0.21 0.56 0.00 -1.26 -4.83 105.19 110.61 2job n GLY 57 Ca 0.36 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.41 -1.04 1.61 7.01 -1.77 -3.50 115.95 117.85 2job h TRP 58 Ca 0.00 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2job h TRP 58 Cb 0.00 0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 2job h TRP 58 CO 0.00 -0.13 0.00 -2.37 -2.79 0.00 0.00 178.44 173.15 2job n THR 59 N -5.08 0.00 -2.32 2.65 5.66 -1.22 -5.07 114.28 108.90 2job n THR 59 Ca -0.07 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.70 2job n THR 59 Cb 0.24 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 4.75 -2.47 1.79 0.00 -1.26 -4.62 120.51 115.70 2job n ALA 60 Ca 0.00 -3.89 -0.22 0.00 0.00 0.00 0.00 53.44 49.33 2job n ALA 60 Cb 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 19.45 18.84 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 -4.83 1.79 0.24 0.00 2.07 -1.26 -5.07 121.20 114.14 2job s ILE 61 Ca 0.46 -1.86 -0.15 0.00 -1.41 0.00 0.00 60.65 57.70 2job s ILE 61 Cb 0.40 -1.79 0.00 0.00 0.13 0.00 0.00 42.46 41.20 2job s ILE 61 CO -0.06 -0.28 0.52 0.00 -1.91 0.00 0.00 174.94 173.21 2job s ARG 62 N -2.66 1.56 0.06 3.50 1.70 -1.26 -3.84 118.95 118.01 2job s ARG 62 Ca 0.14 -1.15 0.02 0.00 -0.47 0.00 0.00 55.73 54.27 2job s ARG 62 Cb -0.06 0.50 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 2job s ARG 62 CO 0.06 -0.66 -0.08 0.20 -1.08 0.00 0.00 175.30 173.74 2job s GLY 63 N -2.98 0.62 0.04 3.88 0.00 -0.63 -4.73 107.32 103.52 2job s GLY 63 Ca 0.19 -0.96 -0.08 0.00 0.00 0.00 0.00 44.72 43.86 2job s GLY 63 CO 0.07 -1.03 0.15 -1.83 0.00 0.00 0.00 173.10 170.46 2job s GLU 64 N -2.27 0.67 0.10 2.90 1.03 -1.26 -0.90 118.70 118.97 2job s GLU 64 Ca -0.03 -0.72 -0.04 0.00 0.03 0.00 0.00 54.97 54.21 2job s GLU 64 Cb -0.05 0.27 -0.02 0.00 -0.80 0.00 0.00 34.13 33.52 2job s GLU 64 CO -0.01 -0.18 0.11 0.00 -1.33 0.00 0.00 175.26 173.85 2job s ALA 65 N -2.73 0.32 -0.10 -0.84 0.00 0.21 -4.67 121.76 113.95 2job s ALA 65 Ca -0.04 -1.07 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 2job s ALA 65 Cb -0.00 0.60 0.03 0.00 0.00 0.00 0.00 23.12 23.75 2job s ALA 65 CO -0.05 -0.49 0.26 -1.12 0.00 0.00 0.00 175.76 174.36 2job s SER 66 N -2.95 -0.27 -0.10 0.00 0.01 -1.26 -0.99 113.70 108.13 2job s SER 66 Ca 0.13 0.53 -0.33 0.00 1.31 0.00 0.00 55.95 57.60 2job s SER 66 Cb 0.06 0.50 0.13 0.00 0.21 0.00 0.00 66.02 66.92 2job s SER 66 CO -0.05 -0.11 1.26 0.28 0.41 0.00 0.00 173.24 175.02 2job s THR 67 N 0.48 0.00 0.32 1.44 -1.32 0.49 -4.98 115.64 112.07 2job s THR 67 Ca -0.03 -0.12 0.17 0.00 -1.21 0.00 0.00 61.69 60.50 2job s THR 67 Cb -0.04 -1.53 0.13 0.00 -1.51 0.00 0.00 72.50 69.55 2job s THR 67 CO -0.02 0.00 1.83 0.03 -2.21 0.00 0.00 174.62 174.24 2job h ARG 68 N 2.00 0.00 -7.08 7.08 3.08 -1.86 0.28 114.38 117.88 2job h ARG 68 Ca -0.20 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.33 2job h ARG 68 Cb 1.18 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.33 2job h ARG 68 CO 0.26 0.35 0.47 -1.54 -1.07 0.00 0.00 179.97 178.43 2job s SER 69 N -6.67 5.44 -0.06 7.04 1.04 -1.26 -4.38 113.70 114.84 2job s SER 69 Ca -0.02 2.34 -0.02 0.00 0.48 0.00 0.00 55.95 58.74 2job s SER 69 Cb 0.13 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.65 2job s SER 69 CO 0.69 -1.42 -0.03 1.56 0.98 0.00 0.00 173.24 175.02 2job h GLN 70 N 1.12 0.00 0.00 4.02 7.50 -1.95 -3.31 115.11 122.49 2job h GLN 70 Ca -0.50 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 58.61 2job h GLN 70 Cb 1.28 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.81 2job h GLN 70 CO 0.56 0.00 -0.19 1.03 -1.50 0.00 0.00 178.83 178.74 2job h SER 71 N -0.51 0.00 -0.50 1.46 0.87 -1.99 -3.16 113.55 109.72 2job h SER 71 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2job h SER 71 Cb 0.09 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 2job h SER 71 CO 0.00 0.19 0.30 1.23 -0.53 0.00 0.00 176.83 178.01 2job h GLY 72 N 2.48 0.70 1.32 5.77 0.00 -1.97 -1.68 103.07 109.69 2job h GLY 72 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2job h GLY 72 CO 0.02 0.19 0.37 -0.24 0.00 0.00 0.00 176.54 176.89 2job h VAL 73 N 0.59 1.19 -0.42 4.60 3.04 -1.63 -2.43 116.25 121.20 2job h VAL 73 Ca 0.20 -0.46 -0.02 0.00 -1.01 0.00 0.00 66.70 65.41 2job h VAL 73 Cb 0.02 0.29 -0.02 0.00 -2.01 0.00 0.00 31.29 29.57 2job h VAL 73 CO -0.09 0.21 0.20 0.00 -1.01 0.00 0.00 177.57 176.88 2job h ALA 74 N 1.50 0.54 -0.70 3.17 0.00 -1.42 0.54 119.26 122.89 2job h ALA 74 Ca 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2job h ALA 74 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2job h ALA 74 CO -0.04 0.11 0.42 0.78 0.00 0.00 0.00 179.25 180.52 2job h GLY 75 N 0.54 1.01 1.38 0.00 0.00 -0.92 -2.15 103.07 102.92 2job h GLY 75 Ca 0.14 -0.41 -0.23 0.00 0.00 0.00 0.00 47.33 46.84 2job h GLY 75 CO -0.02 0.40 -0.90 0.50 0.00 0.00 0.00 176.54 176.52 2job h LYS 76 N 0.96 0.58 -0.81 4.80 6.56 -1.02 -1.90 116.57 125.73 2job h LYS 76 Ca 0.25 -0.55 0.01 0.00 -1.06 0.00 0.00 60.65 59.30 2job h LYS 76 Cb -0.05 0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 31.72 2job h LYS 76 CO -0.05 1.18 0.54 1.15 -2.06 0.00 0.00 179.45 180.21 2job h THR 77 N 0.35 1.20 0.00 -0.16 2.02 -0.43 0.70 112.91 116.61 2job h THR 77 Ca -0.08 -0.38 -0.17 0.00 0.77 0.00 0.00 66.41 66.56 2job h THR 77 Cb 1.52 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2job h THR 77 CO 0.17 0.20 -0.79 0.00 0.37 0.00 0.00 175.52 175.47 2job h ALA 78 N 1.49 0.50 0.19 6.16 0.00 -1.39 -2.56 119.26 123.66 2job h ALA 78 Ca 0.30 -0.72 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 2job h ALA 78 Cb -0.12 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 17.56 2job h ALA 78 CO -0.07 0.99 -1.42 -0.22 0.00 0.00 0.00 179.25 178.54 2job h LYS 79 N 0.00 0.40 -0.04 0.00 3.11 -0.51 -2.94 116.57 116.59 2job h LYS 79 Ca -0.01 -0.69 -0.13 0.00 -2.81 0.00 0.00 60.65 57.01 2job h LYS 79 Cb 1.59 0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 33.07 2job h LYS 79 CO 0.10 1.32 -0.59 -0.44 -2.81 0.00 0.00 179.45 177.04 2job h ASP 80 N 0.11 0.15 -0.28 4.20 5.19 0.31 -1.46 116.42 124.65 2job h ASP 80 Ca -0.22 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 55.98 2job h ASP 80 Cb 2.08 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 41.54 2job h ASP 80 CO 0.23 0.70 -0.35 0.15 -3.12 0.00 0.00 179.24 176.86 2job h PHE 81 N 0.10 0.88 -0.03 4.55 3.57 -1.52 0.06 116.94 124.56 2job h PHE 81 Ca -0.01 -0.28 -0.12 0.00 3.53 0.00 0.00 57.97 61.09 2job h PHE 81 Cb 1.07 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2job h PHE 81 CO 0.01 1.05 -0.56 0.28 -2.23 0.00 0.00 178.31 176.86 2job h VAL 82 N 0.46 1.39 -0.10 1.41 2.07 -1.45 -2.13 116.25 117.91 2job h VAL 82 Ca 0.03 -1.91 -0.22 0.00 0.82 0.00 0.00 66.70 65.42 2job h VAL 82 Cb 0.93 2.00 0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2job h VAL 82 CO 0.08 0.55 -0.83 -0.09 0.02 0.00 0.00 177.57 177.31 2job h ARG 83 N 0.06 0.66 -0.37 1.57 9.65 -1.14 -1.89 114.38 122.91 2job h ARG 83 Ca -0.00 -0.58 -0.10 0.00 -1.10 0.00 0.00 59.98 58.19 2job h ARG 83 Cb 1.01 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 2job h ARG 83 CO 0.08 1.19 -0.20 0.87 2.80 0.00 0.00 179.97 184.71 2job h LYS 84 N 0.43 0.71 -0.11 0.20 1.57 -0.86 -1.54 116.57 116.96 2job h LYS 84 Ca -0.06 -0.27 -0.15 0.00 -1.87 0.00 0.00 60.65 58.30 2job h LYS 84 Cb 1.45 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 2job h LYS 84 CO 0.16 0.86 -0.59 0.00 -0.57 0.00 0.00 179.45 179.31 2job h ALA 85 N 1.15 0.78 -0.51 3.86 0.00 -1.37 -2.71 119.26 120.47 2job h ALA 85 Ca 0.09 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 2job h ALA 85 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2job h ALA 85 CO 0.05 0.71 -0.13 0.35 0.00 0.00 0.00 179.25 180.23 2job h PHE 86 N 0.28 1.09 -0.70 0.00 3.04 -1.03 0.13 116.94 119.74 2job h PHE 86 Ca -0.00 -0.23 -0.06 0.00 3.98 0.00 0.00 57.97 61.66 2job h PHE 86 Cb 1.11 -0.27 -0.03 0.00 2.56 0.00 0.00 35.95 39.32 2job h PHE 86 CO 0.03 1.03 0.19 1.96 -2.02 0.00 0.00 178.31 179.50 2job h GLN 87 N 0.86 1.11 0.23 1.11 1.08 -1.19 -3.25 115.11 115.07 2job h GLN 87 Ca 0.13 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 2job h GLN 87 Cb 0.68 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2job h GLN 87 CO 0.05 0.97 -0.11 0.87 -0.95 0.00 0.00 178.83 179.66 2job h LYS 88 N 1.05 -0.30 0.00 1.46 1.79 -1.30 -3.49 116.57 115.78 2job h LYS 88 Ca 0.22 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2job h LYS 88 Cb 0.35 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2job h LYS 88 CO -0.00 -0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2job n GLY 89 N 0.71 -0.02 1.20 3.86 0.00 0.27 -5.10 105.19 106.11 2job n GLY 89 Ca -0.06 -0.11 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 0.66 -4.57 0.99 4.77 -0.18 -5.00 117.00 113.67 2job n LEU 90 Ca 0.00 0.15 -0.41 0.00 -0.03 0.00 0.00 56.01 55.72 2job n LEU 90 Cb 0.00 -0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 2job n LEU 90 CO 0.00 -0.59 0.27 -0.63 -1.33 0.00 0.00 177.39 175.11 2job s ILE 91 N -2.00 5.00 0.36 -0.08 1.01 -1.25 -4.99 121.20 119.25 2job s ILE 91 Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 60.65 61.21 2job s ILE 91 Cb 0.00 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.57 2job s ILE 91 CO 0.00 -0.18 0.50 -0.24 0.00 0.00 0.00 174.94 175.02 2job n SER 92 N 5.78 1.26 -0.01 3.58 2.88 -1.26 -4.38 113.62 121.46 2job n SER 92 Ca -0.04 -1.92 -0.12 0.00 -1.33 0.00 0.00 58.87 55.46 2job n SER 92 Cb 0.49 -0.27 -0.10 0.00 -0.75 0.00 0.00 64.21 63.58 2job n SER 92 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2job h GLN 93 N 0.00 -0.07 -0.67 -1.46 4.20 -1.98 -2.90 115.11 112.23 2job h GLN 93 Ca -0.17 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 2job h GLN 93 Cb 0.76 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 2job h GLN 93 CO 0.23 0.54 0.20 1.96 -0.67 0.00 0.00 178.83 181.10 2job h GLN 94 N -0.82 1.05 -0.53 1.46 1.08 -1.99 -2.00 115.11 113.37 2job h GLN 94 Ca -0.01 -0.23 0.06 0.00 -1.45 0.00 0.00 58.65 57.02 2job h GLN 94 Cb 0.64 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.87 2job h GLN 94 CO 0.01 0.92 0.24 1.49 -0.95 0.00 0.00 178.83 180.54 2job h GLU 95 N 0.98 0.44 -0.66 1.46 4.81 -1.97 0.18 114.58 119.83 2job h GLU 95 Ca 0.21 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2job h GLU 95 Cb 0.31 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 2job h GLU 95 CO -0.00 0.29 0.12 0.00 -0.73 0.00 0.00 179.01 178.69 2job h ALA 96 N 1.32 0.96 -0.58 2.92 0.00 -1.29 -1.88 119.26 120.71 2job h ALA 96 Ca 0.25 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2job h ALA 96 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2job h ALA 96 CO -0.21 0.65 0.13 -0.97 0.00 0.00 0.00 179.25 178.85 2job h ASN 97 N 1.01 0.86 -0.55 0.00 -1.24 -0.51 -0.22 115.58 114.92 2job h ASN 97 Ca 0.20 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 56.98 2job h ASN 97 Cb 0.41 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.22 2job h ASN 97 CO 0.01 0.85 0.11 1.56 -1.29 0.00 0.00 177.43 178.66 2job h GLN 98 N 0.87 0.90 -0.50 6.67 4.20 -0.26 -2.30 115.11 124.70 2job h GLN 98 Ca 0.19 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 2job h GLN 98 Cb 0.34 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2job h GLN 98 CO 0.00 0.86 0.13 2.35 -0.67 0.00 0.00 178.83 181.50 2job h TRP 99 N 0.80 0.83 -0.94 2.96 7.01 -0.92 0.19 115.95 125.88 2job h TRP 99 Ca 0.17 -0.10 0.15 0.00 2.11 0.00 0.00 58.89 61.22 2job h TRP 99 Cb 0.39 -0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 27.13 2job h TRP 99 CO 0.03 0.74 0.60 -0.07 -2.79 0.00 0.00 178.44 176.94 2job h LEU 100 N 0.69 0.72 0.15 0.65 3.38 -0.74 -1.78 115.31 118.37 2job h LEU 100 Ca 0.16 0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.96 2job h LEU 100 Cb 0.32 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 41.01 2job h LEU 100 CO 0.00 0.35 -0.95 -1.28 0.09 0.00 0.00 178.44 176.65 2job h SER 101 N 0.75 0.57 0.00 -0.43 0.87 -0.91 -3.52 113.55 110.89 2job h SER 101 Ca 0.48 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2job h SER 101 Cb 0.73 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2job h SER 101 CO -0.24 1.45 0.00 -0.24 -0.53 0.00 0.00 176.83 177.27