#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jub n THR 2 N 0.00 0.00 -0.26 0.00 -2.24 -1.26 -4.88 114.28 105.64 2jub n THR 2 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 2jub n THR 2 Cb 0.00 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 2jub n THR 2 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jub h LEU 3 N 0.00 0.81 0.00 3.22 5.85 -1.99 0.56 115.31 123.76 2jub h LEU 3 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jub h LEU 3 Cb 0.00 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2jub h LEU 3 CO 0.00 0.58 -0.00 0.74 -0.34 0.00 0.00 178.44 179.42 2jub h THR 4 N 0.95 1.74 0.15 1.05 2.02 -1.92 -2.91 112.91 113.99 2jub h THR 4 Ca 0.26 -2.18 -0.01 0.00 0.77 0.00 0.00 66.41 65.25 2jub h THR 4 Cb -0.10 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2jub h THR 4 CO -0.06 0.57 -0.07 0.77 0.37 0.00 0.00 175.52 177.09 2jub h SER 5 N -0.93 -0.17 -0.11 4.18 4.64 -1.87 -2.87 113.55 116.43 2jub h SER 5 Ca -0.00 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.05 2jub h SER 5 Cb 0.93 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2jub h SER 5 CO 0.00 0.13 -0.12 -0.08 -0.87 0.00 0.00 176.83 175.90 2jub h GLU 6 N -0.49 0.27 -0.89 4.77 4.57 -0.05 -3.15 114.58 119.61 2jub h GLU 6 Ca -0.02 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 57.99 2jub h GLU 6 Cb 0.38 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 2jub h GLU 6 CO 0.03 0.69 0.47 0.28 -1.18 0.00 0.00 179.01 179.31 2jub h VAL 7 N -0.14 1.26 -0.47 0.32 2.07 -1.54 -2.58 116.25 115.18 2jub h VAL 7 Ca 0.02 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.88 2jub h VAL 7 Cb 0.65 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2jub h VAL 7 CO 0.03 0.30 0.30 0.40 0.02 0.00 0.00 177.57 178.62 2jub h ILE 8 N 1.25 1.10 -1.00 4.57 5.03 -1.57 -2.08 117.51 124.80 2jub h ILE 8 Ca 0.31 -0.21 0.03 0.00 -0.12 0.00 0.00 64.86 64.87 2jub h ILE 8 Cb 0.05 0.43 -0.06 0.00 -3.03 0.00 0.00 36.82 34.22 2jub h ILE 8 CO -0.05 0.11 0.66 0.11 -0.68 0.00 0.00 178.15 178.30 2jub h LYS 9 N 0.61 1.26 -0.80 2.37 1.57 -1.42 -2.33 116.57 117.82 2jub h LYS 9 Ca 0.18 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2jub h LYS 9 Cb -0.04 -0.28 -0.04 0.00 0.08 0.00 0.00 32.23 31.94 2jub h LYS 9 CO -0.05 0.83 0.53 0.00 -0.57 0.00 0.00 179.45 180.19 2jub h ALA 10 N 1.40 1.02 -3.00 3.86 0.00 -1.03 -3.36 119.26 118.16 2jub h ALA 10 Ca 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2jub h ALA 10 Cb -0.05 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.42 2jub h ALA 10 CO -0.11 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.66 2jub n ASN 11 N -4.53 0.00 -2.40 0.00 3.02 -0.87 -4.80 115.26 105.67 2jub n ASN 11 Ca 0.08 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 2jub n ASN 11 Cb 0.02 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.20 2jub n ASN 11 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2jub n LYS 12 N 0.00 -0.65 0.00 3.52 4.76 -1.25 -4.20 118.16 120.34 2jub n LYS 12 Ca 0.00 0.68 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 2jub n LYS 12 Cb 0.00 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2jub n LYS 12 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jub n GLY 13 N 0.50 0.51 3.75 0.72 0.00 -1.26 -5.12 105.19 104.29 2jub n GLY 13 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 2jub n GLY 13 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jub s ARG 14 N 0.00 3.04 0.00 1.61 1.70 -1.26 -4.91 118.95 119.13 2jub s ARG 14 Ca 0.00 2.17 0.00 0.00 -0.47 0.00 0.00 55.73 57.43 2jub s ARG 14 Cb 0.00 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 32.21 2jub s ARG 14 CO 0.00 -1.25 0.08 -1.91 -1.08 0.00 0.00 175.30 171.14 2jub n GLU 15 N -1.20 0.99 0.00 3.89 0.00 -1.26 -4.98 120.64 118.07 2jub n GLU 15 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.20 2jub n GLU 15 Cb 0.46 -0.41 0.00 0.00 0.00 0.00 0.00 31.44 31.49 2jub n GLU 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jub n GLY 16 N 0.16 1.88 0.00 8.31 0.00 -1.26 -4.95 105.19 109.33 2jub n GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jub n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jub n LYS 17 N -0.30 0.00 -3.31 1.61 4.81 -1.26 -4.58 118.16 115.12 2jub n LYS 17 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2jub n LYS 17 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2jub n LYS 17 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2jub s PRO 18 N -0.83 3.07 -0.08 1.64 0.04 -1.26 -2.87 135.00 134.72 2jub s PRO 18 Ca 0.00 -0.88 0.04 0.00 0.04 0.00 0.00 61.00 60.20 2jub s PRO 18 Cb 0.00 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.53 2jub s PRO 18 CO 0.00 -0.93 -0.21 1.41 0.04 0.00 0.00 177.00 177.31 2jub s MET 19 N 2.12 2.50 -0.15 4.56 1.75 -1.20 -4.48 119.30 124.39 2jub s MET 19 Ca 0.11 -0.74 -0.05 0.00 -1.25 0.00 0.00 55.69 53.75 2jub s MET 19 Cb -0.19 -1.98 -0.03 0.00 2.84 0.00 0.00 34.83 35.47 2jub s MET 19 CO 0.12 0.19 0.02 0.42 -0.65 0.00 0.00 175.02 175.12 2jub s ILE 20 N 0.28 4.38 -0.55 10.11 1.01 -1.26 -1.72 121.20 133.46 2jub s ILE 20 Ca -0.13 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 2jub s ILE 20 Cb -0.16 -2.93 0.09 0.00 0.01 0.00 0.00 42.46 39.47 2jub s ILE 20 CO 0.06 0.50 0.63 -0.44 0.00 0.00 0.00 174.94 175.69 2jub s SER 21 N 0.12 6.19 0.00 3.58 0.01 -1.07 -4.80 113.70 117.72 2jub s SER 21 Ca 0.02 -1.33 0.05 0.00 1.31 0.00 0.00 55.95 56.00 2jub s SER 21 Cb -0.13 -2.28 0.30 0.00 0.21 0.00 0.00 66.02 64.13 2jub s SER 21 CO 0.02 -0.98 0.75 0.00 0.41 0.00 0.00 173.24 173.44 2jub n LEU 22 N 6.05 0.00 -0.15 2.44 -0.00 -1.26 -1.10 117.00 122.97 2jub n LEU 22 Ca -0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.84 2jub n LEU 22 Cb 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.86 2jub n LEU 22 CO 0.56 0.00 1.07 0.58 -0.00 0.00 0.00 177.39 179.59 2jub h VAL 23 N 0.00 1.12 0.00 1.47 2.07 -1.98 -3.33 116.25 115.60 2jub h VAL 23 Ca 0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2jub h VAL 23 Cb 0.00 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2jub h VAL 23 CO 0.00 0.12 -0.02 0.47 0.02 0.00 0.00 177.57 178.16 2jub n ASP 24 N -4.76 0.15 -2.32 0.57 8.00 -1.08 -5.07 116.55 112.04 2jub n ASP 24 Ca 0.02 -1.11 -0.00 0.00 0.71 0.00 0.00 54.79 54.40 2jub n ASP 24 Cb 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 2jub n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jub n GLY 25 N -0.04 -3.60 3.09 0.44 0.00 -0.26 -5.07 105.19 99.75 2jub n GLY 25 Ca 0.00 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.17 2jub n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jub s GLU 26 N -1.18 0.24 -0.09 1.61 8.01 -1.21 -4.97 118.70 121.12 2jub s GLU 26 Ca 0.01 0.35 -0.22 0.00 0.01 0.00 0.00 54.97 55.13 2jub s GLU 26 Cb -0.00 0.07 -0.04 0.00 -4.31 0.00 0.00 34.13 29.85 2jub s GLU 26 CO 0.52 -0.06 0.62 -1.21 0.01 0.00 0.00 175.26 175.15 2jub s GLU 27 N 0.36 4.40 -0.62 1.61 2.02 -1.26 -2.61 118.70 122.60 2jub s GLU 27 Ca -0.02 0.73 0.05 0.00 0.02 0.00 0.00 54.97 55.75 2jub s GLU 27 Cb -0.03 -3.45 0.19 0.00 0.10 0.00 0.00 34.13 30.94 2jub s GLU 27 CO -0.02 0.09 0.52 -0.89 0.02 0.00 0.00 175.26 174.98 2jub n ILE 28 N 3.77 1.13 -0.24 -1.63 5.41 -0.70 -4.95 119.36 122.15 2jub n ILE 28 Ca -0.03 -4.63 -0.00 0.00 1.00 0.00 0.00 62.75 59.08 2jub n ILE 28 Cb 0.51 -2.06 -0.00 0.00 -0.71 0.00 0.00 39.64 37.38 2jub n ILE 28 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2jub n LYS 29 N 1.84 0.48 -0.79 0.38 5.02 -1.26 -1.77 118.16 122.07 2jub n LYS 29 Ca 0.24 -0.03 -0.01 0.00 -2.02 0.00 0.00 58.31 56.49 2jub n LYS 29 Cb 0.40 -1.30 -0.01 0.00 -0.02 0.00 0.00 35.03 34.09 2jub n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jub n GLY 30 N 1.84 0.76 3.17 0.72 0.00 -1.14 -4.83 105.19 105.70 2jub n GLY 30 Ca 0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2jub n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jub s THR 31 N 0.00 0.07 -0.25 2.61 2.01 -0.73 -4.40 115.64 114.95 2jub s THR 31 Ca 0.06 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 2jub s THR 31 Cb 0.07 -0.54 0.08 0.00 0.01 0.00 0.00 72.50 72.12 2jub s THR 31 CO -0.03 -0.33 0.07 0.68 -0.69 0.00 0.00 174.62 174.32 2jub s VAL 32 N -1.44 0.54 0.00 3.82 -7.23 -1.26 -3.39 120.40 111.44 2jub s VAL 32 Ca -0.14 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 2jub s VAL 32 Cb -0.06 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.64 2jub s VAL 32 CO 0.02 -0.47 0.00 0.00 -0.31 0.00 0.00 175.10 174.35 2jub n TYR 33 N 5.02 -0.98 -3.66 2.82 0.18 -1.26 -4.83 117.16 114.44 2jub n TYR 33 Ca -0.06 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.34 2jub n TYR 33 Cb 0.44 -0.99 -0.12 0.00 -0.38 0.00 0.00 39.34 38.30 2jub n TYR 33 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 2jub s LEU 34 N -1.97 3.88 0.00 -3.48 0.20 -1.26 -4.01 118.68 112.04 2jub s LEU 34 Ca 0.00 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.57 2jub s LEU 34 Cb 0.00 -2.02 0.00 0.00 -0.43 0.00 0.00 46.19 43.74 2jub s LEU 34 CO 0.00 -0.10 0.00 0.61 -0.29 0.00 0.00 176.35 176.57 2jub n GLY 35 N 4.99 0.60 2.00 7.98 0.00 -1.26 -5.01 105.19 114.50 2jub n GLY 35 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2jub n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jub n ASP 36 N 0.00 -0.03 0.00 1.61 8.00 -1.26 -5.03 116.55 119.84 2jub n ASP 36 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 2jub n ASP 36 Cb 0.00 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2jub n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jub n GLY 37 N -0.86 0.00 3.41 0.44 0.00 -1.26 -5.05 105.19 101.87 2jub n GLY 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2jub n GLY 37 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2jub n TRP 38 N 0.00 -0.80 -3.73 1.61 4.27 -1.24 -4.22 117.44 113.34 2jub n TRP 38 Ca 0.00 0.70 -0.12 0.00 -3.89 0.00 0.00 57.50 54.19 2jub n TRP 38 Cb 0.00 -1.95 -0.11 0.00 -1.36 0.00 0.00 31.31 27.89 2jub n TRP 38 CO 0.00 0.00 0.00 -1.12 -2.29 0.00 0.00 177.69 174.28 2jub s SER 39 N -0.94 -0.38 0.09 -0.67 0.01 -1.24 -4.99 113.70 105.59 2jub s SER 39 Ca 0.62 0.70 -0.27 0.00 1.31 0.00 0.00 55.95 58.31 2jub s SER 39 Cb -0.70 0.63 0.08 0.00 0.21 0.00 0.00 66.02 66.25 2jub s SER 39 CO 0.59 -0.15 1.09 0.00 0.41 0.00 0.00 173.24 175.17 2jub s ALA 40 N 0.86 -1.87 -0.04 1.44 0.00 -1.26 -2.28 121.76 118.61 2jub s ALA 40 Ca -0.06 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 2jub s ALA 40 Cb -0.06 0.55 0.03 0.00 0.00 0.00 0.00 23.12 23.64 2jub s ALA 40 CO -0.06 -1.05 0.38 -1.59 0.00 0.00 0.00 175.76 173.44 2jub s LYS 41 N -2.91 0.69 -0.10 0.00 -2.85 -0.83 -5.01 119.74 108.74 2jub s LYS 41 Ca 0.14 0.00 -0.14 0.00 -1.00 0.00 0.00 55.97 54.97 2jub s LYS 41 Cb 0.01 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 2jub s LYS 41 CO 0.00 -0.18 0.34 0.15 0.10 0.00 0.00 175.35 175.76 2jub s LYS 42 N -1.04 4.05 0.00 1.78 1.02 -1.26 -2.43 119.74 121.86 2jub s LYS 42 Ca -0.11 0.22 0.11 0.00 0.02 0.00 0.00 55.97 56.21 2jub s LYS 42 Cb -0.04 -3.33 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 2jub s LYS 42 CO 0.04 0.45 0.53 -3.47 -0.92 0.00 0.00 175.35 171.98 2jub n ASP 43 N 2.80 0.74 -0.66 2.83 -0.08 -1.19 -4.99 116.55 116.00 2jub n ASP 43 Ca -0.13 -0.87 0.00 0.00 -1.51 0.00 0.00 54.79 52.28 2jub n ASP 43 Cb 0.52 0.85 0.00 0.00 2.34 0.00 0.00 41.12 44.83 2jub n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jub n GLY 44 N 1.17 -1.24 1.99 0.27 0.00 -1.26 -4.78 105.19 101.34 2jub n GLY 44 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2jub n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jub n ALA 45 N 0.88 0.00 -3.28 4.61 0.00 -1.26 -4.96 120.51 116.49 2jub n ALA 45 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2jub n ALA 45 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2jub n ALA 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2jub s THR 46 N -3.28 -0.42 -0.02 0.00 2.01 -1.26 -3.94 115.64 108.74 2jub s THR 46 Ca 0.00 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 61.82 2jub s THR 46 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2jub s THR 46 CO 0.00 0.00 0.50 -0.63 -0.69 0.00 0.00 174.62 173.80 2jub s ILE 47 N 2.59 4.99 -0.27 1.82 -1.09 -0.64 -3.17 121.20 125.43 2jub s ILE 47 Ca -0.01 1.03 -0.10 0.00 -2.23 0.00 0.00 60.65 59.34 2jub s ILE 47 Cb -0.07 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 2jub s ILE 47 CO -0.15 0.47 0.17 -0.69 -1.23 0.00 0.00 174.94 173.51 2jub s VAL 48 N -0.45 5.15 -0.03 2.92 1.01 -1.02 -1.97 120.40 126.01 2jub s VAL 48 Ca 0.27 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 2jub s VAL 48 Cb -0.17 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2jub s VAL 48 CO 0.14 0.28 0.27 -0.51 0.00 0.00 0.00 175.10 175.28 2jub s ILE 49 N 1.64 0.05 0.08 2.22 -1.16 -1.06 -1.97 121.20 121.01 2jub s ILE 49 Ca 0.07 -0.42 0.10 0.00 -0.51 0.00 0.00 60.65 59.89 2jub s ILE 49 Cb -0.16 -0.53 -0.03 0.00 0.61 0.00 0.00 42.46 42.35 2jub s ILE 49 CO 0.09 -0.23 -0.26 -0.44 -2.81 0.00 0.00 174.94 171.30 2jub s SER 50 N -1.02 3.32 0.00 4.50 0.01 -0.97 -1.40 113.70 118.16 2jub s SER 50 Ca -0.11 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2jub s SER 50 Cb -0.05 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.88 2jub s SER 50 CO 0.03 0.22 0.28 -0.81 0.41 0.00 0.00 173.24 173.37 2jub n PRO 51 N 1.33 0.00 -0.05 12.44 -0.04 -1.26 -3.65 135.00 143.77 2jub n PRO 51 Ca -0.17 0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.17 2jub n PRO 51 Cb 0.52 -0.78 -0.13 0.00 -0.04 0.00 0.00 33.50 33.07 2jub n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jub n ALA 52 N -1.67 1.14 -3.00 0.55 0.00 -1.26 -3.63 120.51 112.63 2jub n ALA 52 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2jub n ALA 52 Cb 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2jub n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jub n GLU 53 N -3.36 0.00 -3.15 0.00 -0.58 -1.26 -3.70 120.64 108.59 2jub n GLU 53 Ca -0.37 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.42 2jub n GLU 53 Cb 1.03 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.90 2jub n GLU 53 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2jub s GLU 54 N -0.21 0.40 0.08 3.49 2.12 -1.26 -4.74 118.70 118.58 2jub s GLU 54 Ca 0.00 0.39 0.05 0.00 0.36 0.00 0.00 54.97 55.78 2jub s GLU 54 Cb 0.00 0.18 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 2jub s GLU 54 CO 0.00 -0.74 -0.14 0.95 -0.54 0.00 0.00 175.26 174.79 2jub s THR 55 N 2.88 1.17 0.22 -1.70 -4.23 -1.26 -4.97 115.64 107.76 2jub s THR 55 Ca 0.17 -1.41 0.18 0.00 -1.18 0.00 0.00 61.69 59.45 2jub s THR 55 Cb -0.07 -1.20 0.27 0.00 1.34 0.00 0.00 72.50 72.84 2jub s THR 55 CO -0.25 -0.27 0.60 0.00 -0.54 0.00 0.00 174.62 174.16 2jub n ALA 56 N 1.09 0.69 1.75 3.99 0.00 -1.26 0.38 120.51 127.16 2jub n ALA 56 Ca -0.20 0.24 0.14 0.00 0.00 0.00 0.00 53.44 53.62 2jub n ALA 56 Cb 0.55 -0.41 0.68 0.00 0.00 0.00 0.00 19.45 20.27 2jub n ALA 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jub n LEU 57 N -2.63 0.65 0.00 0.00 4.32 -1.26 -4.88 117.00 113.20 2jub n LEU 57 Ca 0.16 -0.24 0.00 0.00 -0.02 0.00 0.00 56.01 55.92 2jub n LEU 57 Cb 0.77 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.56 2jub n LEU 57 CO 0.16 0.12 0.00 0.49 -1.22 0.00 0.00 177.39 176.94 2jub n PHE 58 N -0.45 0.00 -3.99 -1.77 3.72 1.22 -5.11 117.46 111.08 2jub n PHE 58 Ca 0.20 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.51 2jub n PHE 58 Cb 0.20 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.69 2jub n PHE 58 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 176.76 175.12 2jub s LYS 59 N 0.69 1.49 0.64 -1.08 -2.85 -1.26 -4.67 119.74 112.70 2jub s LYS 59 Ca 0.00 -1.24 0.02 0.00 -1.00 0.00 0.00 55.97 53.75 2jub s LYS 59 Cb 0.00 0.46 0.09 0.00 -2.06 0.00 0.00 37.83 36.32 2jub s LYS 59 CO 0.00 -0.61 0.89 0.00 0.10 0.00 0.00 175.35 175.73 2jub s ALA 60 N -4.01 3.96 -0.02 0.59 0.00 -1.26 -4.81 121.76 116.21 2jub s ALA 60 Ca 0.22 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2jub s ALA 60 Cb -0.00 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.22 2jub s ALA 60 CO 0.08 -1.13 -0.01 0.21 0.00 0.00 0.00 175.76 174.90 2jub s LYS 61 N -4.93 0.27 -0.44 0.00 2.20 -0.49 -4.98 119.74 111.36 2jub s LYS 61 Ca 0.63 -0.01 -0.17 0.00 -0.36 0.00 0.00 55.97 56.06 2jub s LYS 61 Cb -0.07 -0.36 0.03 0.00 -1.51 0.00 0.00 37.83 35.92 2jub s LYS 61 CO 0.41 -0.04 0.47 -1.01 -0.36 0.00 0.00 175.35 174.82 2jub s HIS 62 N 0.52 3.16 -0.08 4.03 3.76 -1.26 -2.56 115.29 122.86 2jub s HIS 62 Ca -0.05 -0.45 -0.20 0.00 -0.15 0.00 0.00 55.06 54.21 2jub s HIS 62 Cb -0.08 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 2jub s HIS 62 CO -0.01 -0.77 0.56 0.42 -0.85 0.00 0.00 174.74 174.09 2jub s ILE 63 N 2.18 5.09 0.72 0.60 1.01 -0.83 -4.99 121.20 124.97 2jub s ILE 63 Ca 0.12 1.14 -0.11 0.00 0.00 0.00 0.00 60.65 61.80 2jub s ILE 63 Cb -0.18 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.42 2jub s ILE 63 CO 0.13 0.33 1.07 -0.94 0.00 0.00 0.00 174.94 175.54 2jub s SER 64 N 0.44 5.05 0.09 3.58 1.04 -1.26 -1.61 113.70 121.03 2jub s SER 64 Ca 0.30 1.73 -0.23 0.00 0.48 0.00 0.00 55.95 58.23 2jub s SER 64 Cb -0.17 -2.51 -0.15 0.00 0.10 0.00 0.00 66.02 63.30 2jub s SER 64 CO 0.14 -1.66 1.74 0.00 0.98 0.00 0.00 173.24 174.43 2jub h ALA 65 N -0.75 -0.01 -1.01 5.32 0.00 -1.93 -1.17 119.26 119.71 2jub h ALA 65 Ca -0.44 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.56 2jub h ALA 65 Cb 1.22 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2jub h ALA 65 CO 0.55 -0.51 0.64 0.00 0.00 0.00 0.00 179.25 179.93 2jub h ALA 66 N 0.98 1.47 -0.37 0.00 0.00 -1.92 0.24 119.26 119.66 2jub h ALA 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jub h ALA 66 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2jub h ALA 66 CO -0.00 0.33 0.24 0.45 0.00 0.00 0.00 179.25 180.27 2jub h HIS 67 N 1.08 0.47 -0.69 0.00 -0.00 -1.69 -0.86 115.15 113.46 2jub h HIS 67 Ca 0.47 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.85 2jub h HIS 67 Cb 0.34 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 2jub h HIS 67 CO -0.00 0.30 0.46 1.25 -0.00 0.00 0.00 177.93 179.93 2jub h LEU 68 N 0.50 0.80 -1.27 2.43 7.12 0.66 -1.20 115.31 124.35 2jub h LEU 68 Ca 0.14 -0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.15 2jub h LEU 68 Cb -0.05 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 39.84 2jub h LEU 68 CO -0.03 0.58 0.51 0.11 -0.13 0.00 0.00 178.44 179.48 2jub h LYS 69 N 0.94 0.93 -0.97 1.25 1.57 -0.94 -1.06 116.57 118.29 2jub h LYS 69 Ca 0.25 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2jub h LYS 69 Cb -0.11 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 31.94 2jub h LYS 69 CO -0.05 0.62 0.64 0.82 -0.57 0.00 0.00 179.45 180.90 2jub h ILE 70 N 0.96 1.24 -0.99 1.86 2.04 -1.19 -1.76 117.51 119.67 2jub h ILE 70 Ca 0.30 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2jub h ILE 70 Cb 0.02 -0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 35.88 2jub h ILE 70 CO -0.08 0.24 0.66 0.40 0.00 0.00 0.00 178.15 179.36 2jub h ILE 71 N 1.30 1.25 -0.74 -0.67 2.04 -1.12 -1.98 117.51 117.59 2jub h ILE 71 Ca 0.36 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2jub h ILE 71 Cb -0.13 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 35.70 2jub h ILE 71 CO -0.08 0.24 0.20 0.00 0.00 0.00 0.00 178.15 178.52 2jub h ALA 72 N 1.37 0.97 -0.54 1.87 0.00 -1.16 -0.63 119.26 121.13 2jub h ALA 72 Ca 0.37 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2jub h ALA 72 Cb -0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 2jub h ALA 72 CO -0.08 0.67 0.36 0.87 0.00 0.00 0.00 179.25 181.07 2jub h LYS 73 N 1.11 0.71 0.00 0.00 1.57 -0.94 -0.61 116.57 118.40 2jub h LYS 73 Ca 0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2jub h LYS 73 Cb 0.34 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2jub h LYS 73 CO -0.00 0.47 0.00 0.09 -0.57 0.00 0.00 179.45 179.43 2jub n ASN 74 N -4.71 0.00 -0.27 0.86 5.03 -0.93 -4.36 115.26 110.87 2jub n ASN 74 Ca 0.03 0.50 -0.06 0.00 0.87 0.00 0.00 54.58 55.93 2jub n ASN 74 Cb 0.02 -0.41 0.06 0.00 -1.02 0.00 0.00 39.78 38.43 2jub n ASN 74 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2jub h LEU 75 N 0.00 0.94 -1.78 3.41 4.07 -1.25 -3.46 115.31 117.24 2jub h LEU 75 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2jub h LEU 75 Cb 0.00 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.50 2jub h LEU 75 CO 0.00 0.78 0.00 -0.11 -1.08 0.00 0.00 178.44 178.03