#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 -0.31 0.00 -2.24 -1.26 -4.83 114.28 105.63 2jub n THR 2 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2jub n THR 2 Cb 0.00 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.31 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 0.97 0.01 3.22 5.85 -1.97 1.03 115.31 124.43 2jub h LEU 3 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2jub h LEU 3 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 2jub h LEU 3 CO 0.00 0.71 -0.07 0.74 -0.34 0.00 0.00 178.44 179.47 2jub h THR 4 N 1.15 1.69 0.32 1.05 2.02 -1.91 -3.10 112.91 114.12 2jub h THR 4 Ca 0.31 -2.11 -0.02 0.00 0.77 0.00 0.00 66.41 65.36 2jub h THR 4 Cb -0.13 3.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.39 2jub h THR 4 CO -0.07 0.55 -0.15 0.28 0.37 0.00 0.00 175.52 176.50 2jub h SER 5 N -0.82 -0.36 -0.62 4.18 0.02 -1.83 -3.05 113.55 111.07 2jub h SER 5 Ca -0.01 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2jub h SER 5 Cb 0.95 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.55 2jub h SER 5 CO 0.01 0.11 0.40 -0.08 -1.14 0.00 0.00 176.83 176.13 2jub h GLU 6 N -0.99 0.82 -0.43 3.45 4.57 0.92 -2.95 114.58 119.98 2jub h GLU 6 Ca -0.04 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 57.99 2jub h GLU 6 Cb 0.49 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2jub h GLU 6 CO 0.07 0.56 -0.08 0.28 -1.18 0.00 0.00 179.01 178.66 2jub h VAL 7 N 0.84 1.27 -0.61 0.32 2.07 -1.52 -2.53 116.25 116.10 2jub h VAL 7 Ca 0.22 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2jub h VAL 7 Cb -0.07 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 2jub h VAL 7 CO -0.05 0.40 0.38 0.40 0.02 0.00 0.00 177.57 178.72 2jub h ILE 8 N 0.64 1.17 -0.03 4.57 5.03 -1.48 -0.86 117.51 126.55 2jub h ILE 8 Ca 0.11 -0.36 -0.01 0.00 -0.12 0.00 0.00 64.86 64.48 2jub h ILE 8 Cb 0.61 0.32 -0.00 0.00 -3.03 0.00 0.00 36.82 34.71 2jub h ILE 8 CO 0.04 0.17 -0.02 0.11 -0.68 0.00 0.00 178.15 177.77 2jub h LYS 9 N 0.82 0.07 0.00 2.37 1.57 -1.49 -2.91 116.57 116.99 2jub h LYS 9 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2jub h LYS 9 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2jub h LYS 9 CO -0.04 0.51 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 2jub h ALA 10 N 0.56 1.00 -2.95 3.86 0.00 -1.40 -3.40 119.26 116.92 2jub h ALA 10 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 2jub h ALA 10 Cb 0.49 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.96 2jub h ALA 10 CO 0.01 0.00 -0.53 -0.80 0.00 0.00 0.00 179.25 177.92 2jub s ASN 11 N -5.12 0.21 -0.27 0.00 0.02 -0.33 -5.02 114.94 104.42 2jub s ASN 11 Ca -0.02 0.53 0.00 0.00 -1.02 0.00 0.00 52.86 52.35 2jub s ASN 11 Cb 0.10 0.54 0.15 0.00 0.02 0.00 0.00 41.25 42.06 2jub s ASN 11 CO 0.43 -0.22 0.38 -0.75 0.02 0.00 0.00 177.10 176.96 2jub s LYS 12 N 2.03 0.38 -0.45 -0.60 2.20 -1.24 -4.21 119.74 117.85 2jub s LYS 12 Ca -0.02 0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.80 2jub s LYS 12 Cb -0.12 -0.43 0.00 0.00 -1.51 0.00 0.00 37.83 35.78 2jub s LYS 12 CO -0.08 -0.90 0.38 0.41 -0.36 0.00 0.00 175.35 174.80 2jub n GLY 13 N 5.35 0.28 0.00 5.54 0.00 -1.26 -5.03 105.19 110.08 2jub n GLY 13 Ca -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2jub n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jub n ARG 14 N -2.10 0.00 0.00 1.61 3.00 -1.26 -5.01 116.66 112.90 2jub n ARG 14 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.79 2jub n ARG 14 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 32.46 32.83 2jub n ARG 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2jub n GLU 15 N 0.00 0.00 0.00 5.56 2.13 -1.26 -5.04 120.64 122.03 2jub n GLU 15 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jub n GLU 15 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2jub n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jub n GLY 16 N 0.00 0.00 0.62 8.31 0.00 -1.26 -3.71 105.19 109.15 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 0.28 0.00 0.00 0.00 173.32 173.60 2jub n LYS 17 N 0.00 0.00 -3.31 1.61 5.02 -1.26 -4.82 118.16 115.40 2jub n LYS 17 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 2jub n LYS 17 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 2jub n LYS 17 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jub s PRO 18 N -2.00 3.26 -0.06 1.97 0.04 -1.24 -3.53 135.00 133.43 2jub s PRO 18 Ca 0.00 -0.60 0.05 0.00 0.04 0.00 0.00 61.00 60.49 2jub s PRO 18 Cb 0.00 -3.92 -0.00 0.00 0.04 0.00 0.00 34.50 30.62 2jub s PRO 18 CO 0.00 -0.77 -0.21 1.41 0.04 0.00 0.00 177.00 177.47 2jub s MET 19 N 2.19 2.31 -0.13 4.56 1.75 -1.21 -4.78 119.30 124.00 2jub s MET 19 Ca 0.13 -0.74 -0.04 0.00 -1.25 0.00 0.00 55.69 53.80 2jub s MET 19 Cb -0.17 -1.90 -0.03 0.00 2.84 0.00 0.00 34.83 35.57 2jub s MET 19 CO 0.14 0.24 0.01 0.42 -0.65 0.00 0.00 175.02 175.18 2jub s ILE 20 N 0.13 4.33 -0.71 10.11 1.01 -1.26 -1.87 121.20 132.94 2jub s ILE 20 Ca -0.09 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.12 2jub s ILE 20 Cb -0.14 -2.87 0.07 0.00 0.01 0.00 0.00 42.46 39.53 2jub s ILE 20 CO 0.04 0.54 1.02 -0.55 0.00 0.00 0.00 174.94 176.00 2jub s SER 21 N -0.28 6.24 0.21 3.58 0.15 -0.98 -4.81 113.70 117.80 2jub s SER 21 Ca 0.06 -1.11 0.19 0.00 0.70 0.00 0.00 55.95 55.80 2jub s SER 21 Cb -0.12 -2.43 0.88 0.00 -1.71 0.00 0.00 66.02 62.64 2jub s SER 21 CO 0.02 -1.42 1.59 0.00 1.20 0.00 0.00 173.24 174.62 2jub n LEU 22 N 7.71 0.47 -0.25 3.45 -0.00 -1.26 0.28 117.00 127.39 2jub n LEU 22 Ca 0.01 0.65 -0.05 0.00 -0.00 0.00 0.00 56.01 56.62 2jub n LEU 22 Cb 0.46 -0.63 0.05 0.00 -0.00 0.00 0.00 43.42 43.31 2jub n LEU 22 CO 0.63 -0.61 1.12 0.58 -0.00 0.00 0.00 177.39 179.11 2jub h VAL 23 N 0.00 1.21 0.00 1.47 2.07 -1.99 -3.34 116.25 115.66 2jub h VAL 23 Ca 0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2jub h VAL 23 Cb 0.21 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2jub h VAL 23 CO 0.00 0.22 -0.49 -0.67 0.02 0.00 0.00 177.57 176.65 2jub n ASP 24 N -4.52 2.47 -1.28 0.57 -0.08 -0.87 -5.08 116.55 107.76 2jub n ASP 24 Ca 0.06 -0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2jub n ASP 24 Cb 0.07 0.67 0.00 0.00 2.34 0.00 0.00 41.12 44.19 2jub n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jub n GLY 25 N 1.41 -0.29 2.82 0.27 0.00 0.80 -5.06 105.19 105.14 2jub n GLY 25 Ca 0.00 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.03 0.17 -0.18 1.61 2.02 -1.17 -4.93 118.70 114.19 2jub s GLU 26 Ca 0.00 0.08 -0.27 0.00 0.02 0.00 0.00 54.97 54.80 2jub s GLU 26 Cb 0.00 -0.35 -0.01 0.00 0.10 0.00 0.00 34.13 33.88 2jub s GLU 26 CO 0.00 -0.11 0.94 -1.21 0.02 0.00 0.00 175.26 174.90 2jub s GLU 27 N 0.83 4.30 0.36 1.61 2.02 -1.26 -2.33 118.70 124.23 2jub s GLU 27 Ca -0.08 1.20 0.08 0.00 0.02 0.00 0.00 54.97 56.19 2jub s GLU 27 Cb -0.11 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.49 2jub s GLU 27 CO -0.02 -0.44 0.26 0.42 0.02 0.00 0.00 175.26 175.51 2jub s ILE 28 N 2.51 3.04 -0.05 -1.63 1.01 -0.78 -5.02 121.20 120.29 2jub s ILE 28 Ca 0.42 -1.49 0.13 0.00 0.00 0.00 0.00 60.65 59.71 2jub s ILE 28 Cb -0.16 -3.06 0.24 0.00 0.01 0.00 0.00 42.46 39.49 2jub s ILE 28 CO 0.11 -0.12 1.12 1.17 0.00 0.00 0.00 174.94 177.23 2jub n LYS 29 N -1.34 0.24 -1.04 2.79 4.81 -1.26 -3.30 118.16 119.06 2jub n LYS 29 Ca -0.01 -1.60 -0.02 0.00 -0.87 0.00 0.00 58.31 55.81 2jub n LYS 29 Cb 0.61 0.14 -0.02 0.00 0.02 0.00 0.00 35.03 35.78 2jub n LYS 29 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jub n GLY 30 N 0.03 0.73 2.96 3.14 0.00 -1.23 -4.86 105.19 105.97 2jub n GLY 30 Ca -0.11 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 2jub n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jub s THR 31 N 0.00 0.27 -0.58 2.61 -4.23 -1.25 -4.53 115.64 107.92 2jub s THR 31 Ca 0.11 -0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.16 2jub s THR 31 Cb 0.13 -0.30 0.15 0.00 1.34 0.00 0.00 72.50 73.81 2jub s THR 31 CO -0.06 -0.15 0.37 0.68 -0.54 0.00 0.00 174.62 174.92 2jub s VAL 32 N -0.64 2.36 -1.42 2.29 -7.23 -1.26 -4.06 120.40 110.44 2jub s VAL 32 Ca -0.05 -3.58 -0.09 0.00 -1.81 0.00 0.00 61.98 56.45 2jub s VAL 32 Cb -0.05 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.32 2jub s VAL 32 CO -0.00 -0.94 1.06 -1.22 -0.31 0.00 0.00 175.10 173.69 2jub n TYR 33 N 2.64 -2.66 -2.76 2.82 4.01 -1.26 -4.93 117.16 115.03 2jub n TYR 33 Ca 0.14 0.92 -0.40 0.00 -0.16 0.00 0.00 57.90 58.39 2jub n TYR 33 Cb 0.35 -4.79 -0.05 0.00 -0.31 0.00 0.00 39.34 34.54 2jub n TYR 33 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2jub s LEU 34 N -7.20 4.57 0.00 7.72 2.96 -1.26 -3.11 118.68 122.35 2jub s LEU 34 Ca 0.55 1.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 2jub s LEU 34 Cb -0.25 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.87 2jub s LEU 34 CO 0.68 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 176.38 2jub n GLY 35 N 1.88 2.57 0.18 7.98 0.00 -1.26 -4.74 105.19 111.79 2jub n GLY 35 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2jub n GLY 35 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2jub h ASP 36 N 0.00 0.22 0.00 1.61 3.32 -1.89 -3.46 116.42 116.23 2jub h ASP 36 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2jub h ASP 36 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2jub h ASP 36 CO 0.00 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 2jub n GLY 37 N 0.06 1.07 2.83 2.75 0.00 -1.21 -4.59 105.19 106.11 2jub n GLY 37 Ca -0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 2jub n GLY 37 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2jub n TRP 38 N 0.00 0.47 -3.71 1.61 -0.00 -1.17 -4.29 117.44 110.35 2jub n TRP 38 Ca 0.00 0.85 -0.11 0.00 -0.00 0.00 0.00 57.50 58.24 2jub n TRP 38 Cb 0.00 -1.69 -0.11 0.00 -0.00 0.00 0.00 31.31 29.51 2jub n TRP 38 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2jub s SER 39 N -0.04 -0.45 0.37 5.87 0.15 -1.23 -5.03 113.70 113.33 2jub s SER 39 Ca 0.73 0.81 -0.16 0.00 0.70 0.00 0.00 55.95 58.03 2jub s SER 39 Cb -1.01 0.72 0.06 0.00 -1.71 0.00 0.00 66.02 64.07 2jub s SER 39 CO 0.46 -0.18 0.84 0.00 1.20 0.00 0.00 173.24 175.56 2jub s ALA 40 N 1.14 -0.83 0.08 5.45 0.00 -1.26 -1.93 121.76 124.42 2jub s ALA 40 Ca -0.08 -0.74 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 2jub s ALA 40 Cb -0.08 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.74 2jub s ALA 40 CO -0.09 -0.99 0.32 -1.59 0.00 0.00 0.00 175.76 173.40 2jub s LYS 41 N -2.09 0.92 -0.37 0.00 -2.85 -1.03 -5.02 119.74 109.30 2jub s LYS 41 Ca 0.17 -0.66 -0.16 0.00 -1.00 0.00 0.00 55.97 54.32 2jub s LYS 41 Cb -0.05 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.12 2jub s LYS 41 CO 0.11 -0.32 0.40 0.15 0.10 0.00 0.00 175.35 175.79 2jub s LYS 42 N -3.26 3.41 0.00 1.78 -0.14 -1.26 -2.97 119.74 117.30 2jub s LYS 42 Ca -0.00 -0.51 0.23 0.00 -1.36 0.00 0.00 55.97 54.33 2jub s LYS 42 Cb 0.01 -3.86 0.16 0.00 -1.68 0.00 0.00 37.83 32.46 2jub s LYS 42 CO -0.08 -0.64 1.21 -3.47 -0.76 0.00 0.00 175.35 171.61 2jub n ASP 43 N 5.48 2.80 0.00 2.83 -0.08 -1.23 -5.04 116.55 121.32 2jub n ASP 43 Ca -0.08 -1.90 0.00 0.00 -1.51 0.00 0.00 54.79 51.30 2jub n ASP 43 Cb 0.49 0.07 0.00 0.00 2.34 0.00 0.00 41.12 44.02 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 1.32 0.93 0.04 0.27 0.00 -1.26 -4.77 105.19 101.72 2jub n GLY 44 Ca 0.13 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 3.28 -3.64 4.61 0.00 -1.26 -4.82 120.51 117.68 2jub n ALA 45 Ca 0.00 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 2jub n ALA 45 Cb 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.16 1.99 -0.03 0.00 2.01 -1.26 0.16 115.64 115.35 2jub s THR 46 Ca 0.06 -0.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.93 2jub s THR 46 Cb 0.14 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 2jub s THR 46 CO 0.76 0.54 0.52 -0.63 -0.69 0.00 0.00 174.62 175.12 2jub s ILE 47 N 0.81 4.99 -0.46 1.82 -1.09 -0.72 -3.48 121.20 123.07 2jub s ILE 47 Ca -0.08 1.07 -0.16 0.00 -2.23 0.00 0.00 60.65 59.25 2jub s ILE 47 Cb -0.16 -3.85 0.06 0.00 -1.58 0.00 0.00 42.46 36.93 2jub s ILE 47 CO -0.01 0.44 0.43 -0.69 -1.23 0.00 0.00 174.94 173.88 2jub s VAL 48 N -0.26 5.16 -0.01 2.92 1.01 -1.16 -2.36 120.40 125.70 2jub s VAL 48 Ca 0.28 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2jub s VAL 48 Cb -0.17 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2jub s VAL 48 CO 0.15 -0.56 -0.25 -0.63 0.00 0.00 0.00 175.10 173.80 2jub s ILE 49 N 1.88 2.02 -0.31 2.22 1.01 -0.94 -2.47 121.20 124.60 2jub s ILE 49 Ca 0.07 -1.13 -0.05 0.00 0.00 0.00 0.00 60.65 59.54 2jub s ILE 49 Cb -0.22 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.61 2jub s ILE 49 CO 0.09 0.53 0.06 -0.44 0.00 0.00 0.00 174.94 175.18 2jub s SER 50 N -0.71 5.10 0.00 3.58 0.01 -0.81 -0.32 113.70 120.55 2jub s SER 50 Ca 0.10 -1.08 0.00 0.00 1.31 0.00 0.00 55.95 56.28 2jub s SER 50 Cb -0.10 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.32 2jub s SER 50 CO -0.00 -0.27 0.45 -2.65 0.41 0.00 0.00 173.24 171.17 2jub n PRO 51 N 4.76 0.00 -0.13 12.44 -0.02 -1.26 -3.58 135.00 147.21 2jub n PRO 51 Ca -0.13 0.45 -0.28 0.00 -2.02 0.00 0.00 63.50 61.52 2jub n PRO 51 Cb 0.45 -0.78 -0.10 0.00 -0.02 0.00 0.00 33.50 33.04 2jub n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jub n ALA 52 N -1.44 1.13 -3.00 3.55 0.00 -1.26 -3.59 120.51 115.89 2jub n ALA 52 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2jub n ALA 52 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.43 2jub n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jub n GLU 53 N -4.23 0.00 -3.36 0.00 4.07 -1.25 -3.05 120.64 112.82 2jub n GLU 53 Ca -0.50 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 56.62 2jub n GLU 53 Cb 0.86 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.20 2jub n GLU 53 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2jub s GLU 54 N -0.16 0.35 0.00 5.31 2.12 -1.26 -4.83 118.70 120.23 2jub s GLU 54 Ca 0.00 0.80 0.00 0.00 0.36 0.00 0.00 54.97 56.13 2jub s GLU 54 Cb 0.00 0.48 0.00 0.00 0.26 0.00 0.00 34.13 34.87 2jub s GLU 54 CO 0.00 -0.19 0.00 0.25 -0.54 0.00 0.00 175.26 174.78 2jub n THR 55 N 5.19 0.00 0.00 -1.70 -2.24 -1.26 -5.02 114.28 109.24 2jub n THR 55 Ca -0.08 0.32 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2jub n THR 55 Cb 0.52 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2jub n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jub n ALA 56 N -1.75 0.50 0.17 6.98 0.00 -1.26 -4.89 120.51 120.27 2jub n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jub n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jub n ALA 56 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2jub n LEU 57 N -1.41 0.40 0.00 0.00 -0.00 -1.26 -4.61 117.00 110.11 2jub n LEU 57 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.81 2jub n LEU 57 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.33 2jub n LEU 57 CO 0.00 0.07 0.00 0.49 -0.00 0.00 0.00 177.39 177.95 2jub n PHE 58 N 0.74 -1.70 -4.02 1.47 3.01 -1.26 -5.14 117.46 110.56 2jub n PHE 58 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 2jub n PHE 58 Cb 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.43 2jub n PHE 58 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2jub s LYS 59 N -0.58 0.42 0.85 -1.08 0.00 -1.26 -5.00 119.74 113.09 2jub s LYS 59 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 55.97 55.21 2jub s LYS 59 Cb 0.00 -0.10 0.18 0.00 0.00 0.00 0.00 37.83 37.91 2jub s LYS 59 CO 0.00 0.00 1.17 0.00 0.00 0.00 0.00 175.35 176.52 2jub s ALA 60 N -1.41 3.02 -0.12 0.59 0.00 -1.26 -4.84 121.76 117.73 2jub s ALA 60 Ca -0.13 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.25 2jub s ALA 60 Cb -0.10 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.73 2jub s ALA 60 CO -0.00 -2.01 -0.13 0.21 0.00 0.00 0.00 175.76 173.83 2jub s LYS 61 N -5.52 2.10 -0.58 0.00 2.20 0.56 -4.97 119.74 113.52 2jub s LYS 61 Ca 0.71 -0.49 -0.19 0.00 -0.36 0.00 0.00 55.97 55.64 2jub s LYS 61 Cb -0.04 -1.89 0.09 0.00 -1.51 0.00 0.00 37.83 34.48 2jub s LYS 61 CO 0.49 -0.16 0.71 -1.01 -0.36 0.00 0.00 175.35 175.01 2jub s HIS 62 N 1.30 2.98 -0.17 4.03 3.76 -1.26 -2.21 115.29 123.72 2jub s HIS 62 Ca -0.00 -0.84 -0.10 0.00 -0.15 0.00 0.00 55.06 53.96 2jub s HIS 62 Cb -0.14 -3.95 -0.05 0.00 1.11 0.00 0.00 32.58 29.56 2jub s HIS 62 CO -0.06 -1.27 0.16 0.42 -0.85 0.00 0.00 174.74 173.14 2jub s ILE 63 N 2.79 5.41 0.57 0.60 1.01 -0.99 -4.97 121.20 125.62 2jub s ILE 63 Ca 0.13 0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.85 2jub s ILE 63 Cb -0.23 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 2jub s ILE 63 CO 0.08 0.48 1.20 -0.44 0.00 0.00 0.00 174.94 176.26 2jub s SER 64 N 0.01 5.35 0.29 3.58 0.01 -1.26 -1.76 113.70 119.92 2jub s SER 64 Ca 0.11 2.38 0.03 0.00 1.31 0.00 0.00 55.95 59.78 2jub s SER 64 Cb -0.12 -2.60 0.62 0.00 0.21 0.00 0.00 66.02 64.13 2jub s SER 64 CO 0.01 -1.48 1.83 0.00 0.41 0.00 0.00 173.24 174.00 2jub h ALA 65 N 1.07 1.58 -0.87 1.44 0.00 -0.65 -0.80 119.26 121.03 2jub h ALA 65 Ca -0.50 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2jub h ALA 65 Cb 1.29 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.86 2jub h ALA 65 CO 0.56 0.14 0.57 0.00 0.00 0.00 0.00 179.25 180.53 2jub h ALA 66 N 1.57 1.12 -0.49 0.00 0.00 -1.90 -1.21 119.26 118.35 2jub h ALA 66 Ca 0.51 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.38 2jub h ALA 66 Cb 0.60 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jub h ALA 66 CO -0.29 0.49 0.32 0.45 0.00 0.00 0.00 179.25 180.22 2jub h HIS 67 N 1.16 0.60 -0.17 0.00 -0.00 -1.50 0.17 115.15 115.42 2jub h HIS 67 Ca 0.33 0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.76 2jub h HIS 67 Cb -0.11 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 2jub h HIS 67 CO -0.01 0.37 0.12 1.25 -0.00 0.00 0.00 177.93 179.66 2jub h LEU 68 N 0.64 0.00 -1.28 2.43 7.12 -0.94 0.18 115.31 123.46 2jub h LEU 68 Ca 0.18 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.20 2jub h LEU 68 Cb -0.05 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.04 2jub h LEU 68 CO -0.04 0.00 0.47 0.11 -0.13 0.00 0.00 178.44 178.85 2jub h LYS 69 N 0.00 0.95 -0.97 1.25 1.79 -0.54 -1.49 116.57 117.56 2jub h LYS 69 Ca 0.08 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2jub h LYS 69 Cb 0.32 -0.21 -0.05 0.00 -1.58 0.00 0.00 32.23 30.71 2jub h LYS 69 CO -0.00 0.64 0.60 0.82 -1.08 0.00 0.00 179.45 180.43 2jub h ILE 70 N 0.98 1.26 -0.98 1.86 2.04 -0.66 -1.64 117.51 120.37 2jub h ILE 70 Ca 0.26 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.62 2jub h ILE 70 Cb -0.10 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 35.79 2jub h ILE 70 CO -0.06 0.26 0.65 0.40 0.00 0.00 0.00 178.15 179.41 2jub h ILE 71 N 1.32 1.20 -0.54 -0.67 2.04 -1.23 -1.69 117.51 117.95 2jub h ILE 71 Ca 0.35 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 2jub h ILE 71 Cb -0.09 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.78 2jub h ILE 71 CO -0.07 0.23 -0.05 0.00 0.00 0.00 0.00 178.15 178.27 2jub h ALA 72 N 1.41 0.91 -0.81 1.87 0.00 -1.14 -2.52 119.26 118.98 2jub h ALA 72 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2jub h ALA 72 Cb -0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2jub h ALA 72 CO -0.11 0.64 0.41 0.87 0.00 0.00 0.00 179.25 181.07 2jub h LYS 73 N 0.87 1.15 0.03 0.00 1.57 -0.65 -1.33 116.57 118.20 2jub h LYS 73 Ca 0.15 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2jub h LYS 73 Cb 0.57 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jub h LYS 73 CO 0.03 0.87 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.86 2jub h ASN 74 N 1.14 -0.03 -0.43 0.86 2.35 -1.31 -3.37 115.58 114.80 2jub h ASN 74 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 2jub h ASN 74 Cb 0.08 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 2jub h ASN 74 CO -0.04 0.01 0.28 -0.07 -1.65 0.00 0.00 177.43 175.96 2jub h LEU 75 N -0.09 0.49 -0.26 1.61 4.07 -1.58 -3.48 115.31 116.07 2jub h LEU 75 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2jub h LEU 75 Cb 0.03 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.64 2jub h LEU 75 CO 0.01 0.36 0.00 0.00 -1.08 0.00 0.00 178.44 177.72