#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 0.02 0.03 0.00 -2.24 -1.26 -4.55 114.28 106.28 2jub n THR 2 Ca 0.00 -0.51 -0.12 0.00 -2.27 0.00 0.00 64.05 61.15 2jub n THR 2 Cb 0.00 1.25 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 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 2.51 0.02 0.01 3.22 5.85 -2.00 0.46 115.31 125.38 2jub h LEU 3 Ca 0.00 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jub h LEU 3 Cb 0.54 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2jub h LEU 3 CO 0.00 0.03 -0.00 0.74 -0.34 0.00 0.00 178.44 178.86 2jub h THR 4 N 0.01 1.01 -0.04 1.05 2.02 -1.96 -0.55 112.91 114.46 2jub h THR 4 Ca 0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2jub h THR 4 Cb 0.01 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2jub h THR 4 CO -0.00 0.01 -0.02 -1.28 0.37 0.00 0.00 175.52 174.60 2jub h SER 5 N -0.03 0.08 -0.07 4.18 0.87 -1.79 -2.92 113.55 113.88 2jub h SER 5 Ca -0.00 -0.42 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2jub h SER 5 Cb 0.03 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jub h SER 5 CO 0.00 0.49 0.04 -0.08 -0.53 0.00 0.00 176.83 176.75 2jub h GLU 6 N -0.32 0.10 -0.19 2.24 4.57 -0.04 -2.53 114.58 118.41 2jub h GLU 6 Ca 0.01 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 2jub h GLU 6 Cb 0.45 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2jub h GLU 6 CO 0.01 0.12 -0.11 0.28 -1.18 0.00 0.00 179.01 178.12 2jub h VAL 7 N 0.04 1.31 -0.72 0.32 2.07 -1.20 -2.88 116.25 115.20 2jub h VAL 7 Ca 0.02 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.36 2jub h VAL 7 Cb 0.05 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 2jub h VAL 7 CO -0.00 0.36 0.48 0.40 0.02 0.00 0.00 177.57 178.82 2jub h ILE 8 N 0.10 1.18 -0.95 4.57 5.03 -1.56 -1.86 117.51 124.02 2jub h ILE 8 Ca 0.04 -0.34 0.06 0.00 -0.12 0.00 0.00 64.86 64.50 2jub h ILE 8 Cb 0.61 0.12 -0.06 0.00 -3.03 0.00 0.00 36.82 34.46 2jub h ILE 8 CO 0.03 0.18 0.62 0.11 -0.68 0.00 0.00 178.15 178.41 2jub h LYS 9 N 0.98 1.09 -0.13 2.37 1.57 -1.41 -2.44 116.57 118.59 2jub h LYS 9 Ca 0.27 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2jub h LYS 9 Cb -0.11 -0.25 -0.06 0.00 0.08 0.00 0.00 32.23 31.89 2jub h LYS 9 CO -0.06 0.72 -0.33 0.00 -0.57 0.00 0.00 179.45 179.21 2jub h ALA 10 N 1.48 -0.39 -3.69 3.86 0.00 -1.11 -3.42 119.26 115.98 2jub h ALA 10 Ca 0.40 0.02 -0.23 0.00 0.00 0.00 0.00 54.91 55.10 2jub h ALA 10 Cb 0.15 0.62 -0.28 0.00 0.00 0.00 0.00 17.79 18.28 2jub h ALA 10 CO -0.15 -0.81 -0.70 -0.80 0.00 0.00 0.00 179.25 176.79 2jub s ASN 11 N -4.92 -0.01 -0.27 0.00 0.02 -0.92 -5.01 114.94 103.83 2jub s ASN 11 Ca -0.15 0.03 -0.00 0.00 -1.02 0.00 0.00 52.86 51.71 2jub s ASN 11 Cb 0.10 0.03 0.15 0.00 0.02 0.00 0.00 41.25 41.55 2jub s ASN 11 CO 0.66 -0.01 0.39 -0.75 0.02 0.00 0.00 177.10 177.40 2jub s LYS 12 N 0.05 0.38 -0.42 -0.60 2.20 -1.25 -4.61 119.74 115.49 2jub s LYS 12 Ca -0.00 0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2jub s LYS 12 Cb -0.01 -0.41 0.00 0.00 -1.51 0.00 0.00 37.83 35.90 2jub s LYS 12 CO -0.00 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 2jub n GLY 13 N 5.36 0.68 2.91 5.54 0.00 -1.26 -4.95 105.19 113.47 2jub n GLY 13 Ca -0.02 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 2jub n GLY 13 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jub n ARG 14 N -2.65 4.07 -3.29 1.61 0.63 -1.26 -4.83 116.66 110.94 2jub n ARG 14 Ca -0.04 -4.01 -0.27 0.00 -0.92 0.00 0.00 57.85 52.61 2jub n ARG 14 Cb 0.16 -2.72 0.02 0.00 0.45 0.00 0.00 32.46 30.36 2jub n ARG 14 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2jub n GLU 15 N 2.59 -1.44 -1.17 -0.14 1.02 -1.26 -4.39 120.64 115.85 2jub n GLU 15 Ca 0.34 0.91 -0.37 0.00 -0.02 0.00 0.00 57.16 58.02 2jub n GLU 15 Cb 0.34 -1.71 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 2jub n GLU 15 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jub n GLY 16 N -0.74 -0.34 1.08 0.62 0.00 -1.26 -4.24 105.19 100.31 2jub n GLY 16 Ca -0.16 0.94 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 6.73 0.00 -3.77 1.61 4.81 -1.26 -4.77 118.16 121.50 2jub n LYS 17 Ca 0.52 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.60 2jub n LYS 17 Cb 0.01 0.00 -0.09 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 -1.62 4.08 -0.08 1.64 0.04 -1.26 -3.22 135.00 134.58 2jub s PRO 18 Ca 0.00 -0.27 0.02 0.00 0.04 0.00 0.00 61.00 60.79 2jub s PRO 18 Cb 0.00 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 31.14 2jub s PRO 18 CO 0.00 0.20 -0.15 1.41 0.04 0.00 0.00 177.00 178.50 2jub s MET 19 N 0.63 2.09 -0.15 4.56 1.75 -1.21 -4.97 119.30 121.99 2jub s MET 19 Ca 0.07 -0.54 -0.03 0.00 -1.25 0.00 0.00 55.69 53.94 2jub s MET 19 Cb -0.12 -1.69 -0.03 0.00 2.84 0.00 0.00 34.83 35.83 2jub s MET 19 CO 0.01 0.04 -0.06 0.42 -0.65 0.00 0.00 175.02 174.78 2jub s ILE 20 N 0.67 3.74 -0.54 10.11 1.01 -1.26 -1.69 121.20 133.23 2jub s ILE 20 Ca -0.14 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.90 2jub s ILE 20 Cb -0.16 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.76 2jub s ILE 20 CO 0.04 0.50 0.67 -0.55 0.00 0.00 0.00 174.94 175.60 2jub s SER 21 N 0.33 6.21 0.00 3.58 0.15 -1.15 -4.86 113.70 117.96 2jub s SER 21 Ca -0.05 -1.06 0.07 0.00 0.70 0.00 0.00 55.95 55.61 2jub s SER 21 Cb -0.14 -2.30 0.32 0.00 -1.71 0.00 0.00 66.02 62.18 2jub s SER 21 CO 0.03 -1.00 1.15 0.00 1.20 0.00 0.00 173.24 174.63 2jub n LEU 22 N 6.33 0.00 -0.25 3.45 -0.00 -1.26 0.27 117.00 125.54 2jub n LEU 22 Ca -0.07 0.39 -0.01 0.00 -0.00 0.00 0.00 56.01 56.32 2jub n LEU 22 Cb 0.44 -0.39 0.10 0.00 -0.00 0.00 0.00 43.42 43.58 2jub n LEU 22 CO 0.56 -0.30 1.12 0.58 -0.00 0.00 0.00 177.39 179.35 2jub h VAL 23 N 0.00 1.00 0.00 1.47 2.07 -1.99 -3.22 116.25 115.59 2jub h VAL 23 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jub h VAL 23 Cb 0.09 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2jub h VAL 23 CO 0.00 0.14 -0.14 -0.90 0.02 0.00 0.00 177.57 176.69 2jub n ASP 24 N -4.74 0.60 -2.99 0.57 5.75 -0.92 -5.07 116.55 109.76 2jub n ASP 24 Ca 0.09 -1.69 -0.02 0.00 -0.01 0.00 0.00 54.79 53.16 2jub n ASP 24 Cb 0.16 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2jub n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jub n GLY 25 N -0.24 -1.91 3.31 6.12 0.00 0.14 -5.02 105.19 107.58 2jub n GLY 25 Ca 0.02 0.30 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 2jub n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jub s GLU 26 N -1.39 0.65 -0.13 1.61 -1.05 -1.19 -4.97 118.70 112.22 2jub s GLU 26 Ca 0.03 0.19 -0.25 0.00 -0.15 0.00 0.00 54.97 54.79 2jub s GLU 26 Cb -0.00 0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 33.96 2jub s GLU 26 CO 0.40 -0.15 0.79 -1.21 0.95 0.00 0.00 175.26 176.04 2jub s GLU 27 N -0.66 4.35 -0.62 -4.83 2.02 -1.26 -2.92 118.70 114.78 2jub s GLU 27 Ca -0.08 0.97 0.06 0.00 0.02 0.00 0.00 54.97 55.94 2jub s GLU 27 Cb -0.04 -3.53 0.22 0.00 0.10 0.00 0.00 34.13 30.89 2jub s GLU 27 CO 0.03 -0.18 0.64 -0.89 0.02 0.00 0.00 175.26 174.88 2jub n ILE 28 N 4.39 1.68 -2.06 -1.63 5.41 -0.68 -5.03 119.36 121.44 2jub n ILE 28 Ca 0.02 -4.92 -0.43 0.00 1.00 0.00 0.00 62.75 58.43 2jub n ILE 28 Cb 0.50 -2.09 -0.03 0.00 -0.71 0.00 0.00 39.64 37.31 2jub n ILE 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2jub s LYS 29 N -1.96 3.34 0.00 0.38 1.02 -1.26 -3.05 119.74 118.21 2jub s LYS 29 Ca 0.35 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.65 2jub s LYS 29 Cb 0.10 -4.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.23 2jub s LYS 29 CO -0.07 -1.85 0.00 0.41 -0.92 0.00 0.00 175.35 172.92 2jub n GLY 30 N 5.38 0.78 2.98 -3.33 0.00 -1.20 -5.02 105.19 104.78 2jub n GLY 30 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.78 0.08 -0.28 2.61 -4.23 -1.17 -3.51 115.64 108.36 2jub s THR 31 Ca 0.00 -0.68 -0.03 0.00 -1.18 0.00 0.00 61.69 59.80 2jub s THR 31 Cb 0.00 -0.24 0.09 0.00 1.34 0.00 0.00 72.50 73.69 2jub s THR 31 CO 0.00 -0.38 0.11 -0.69 -0.54 0.00 0.00 174.62 173.12 2jub s VAL 32 N -1.13 0.33 -1.06 2.29 1.01 -1.26 -3.70 120.40 116.87 2jub s VAL 32 Ca -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2jub s VAL 32 Cb -0.08 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2jub s VAL 32 CO -0.00 -0.63 0.00 -1.22 0.00 0.00 0.00 175.10 173.25 2jub n TYR 33 N 5.09 -1.28 -3.44 5.22 4.01 -1.26 -4.91 117.16 120.58 2jub n TYR 33 Ca -0.05 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.31 2jub n TYR 33 Cb 0.43 -2.67 -0.06 0.00 -0.31 0.00 0.00 39.34 36.73 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 -5.29 4.48 0.00 7.72 0.20 -1.26 -3.49 118.68 121.04 2jub s LEU 34 Ca 0.00 1.02 0.00 0.00 0.69 0.00 0.00 54.13 55.84 2jub s LEU 34 Cb 0.00 -2.66 0.00 0.00 -0.43 0.00 0.00 46.19 43.10 2jub s LEU 34 CO 0.00 0.30 0.00 0.61 -0.29 0.00 0.00 176.35 176.97 2jub n GLY 35 N 1.87 0.51 1.37 7.98 0.00 -1.26 -4.89 105.19 110.78 2jub n GLY 35 Ca -0.13 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 1.39 0.29 0.00 1.61 8.00 -1.25 -5.05 116.55 121.54 2jub n ASP 36 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2jub n ASP 36 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 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 2.61 0.00 3.60 0.44 0.00 -1.26 -4.96 105.19 105.61 2jub n GLY 37 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 1.37 -3.72 1.61 4.27 -1.22 -4.27 117.44 115.48 2jub n TRP 38 Ca 0.00 0.68 -0.12 0.00 -3.89 0.00 0.00 57.50 54.17 2jub n TRP 38 Cb 0.00 -2.27 -0.11 0.00 -1.36 0.00 0.00 31.31 27.57 2jub n TRP 38 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2jub s SER 39 N -0.43 -0.45 0.38 -0.67 0.15 -1.23 -5.04 113.70 106.41 2jub s SER 39 Ca 0.61 0.83 -0.16 0.00 0.70 0.00 0.00 55.95 57.93 2jub s SER 39 Cb -0.71 0.78 0.05 0.00 -1.71 0.00 0.00 66.02 64.43 2jub s SER 39 CO 0.59 -0.16 0.78 0.00 1.20 0.00 0.00 173.24 175.65 2jub s ALA 40 N 0.74 -0.77 0.12 5.45 0.00 -1.26 -2.17 121.76 123.87 2jub s ALA 40 Ca -0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 2jub s ALA 40 Cb -0.05 0.69 0.02 0.00 0.00 0.00 0.00 23.12 23.77 2jub s ALA 40 CO -0.05 -0.99 0.32 -1.59 0.00 0.00 0.00 175.76 173.45 2jub s LYS 41 N -2.43 1.03 -0.31 0.00 -2.85 -0.94 -5.02 119.74 109.22 2jub s LYS 41 Ca 0.15 -0.88 -0.12 0.00 -1.00 0.00 0.00 55.97 54.13 2jub s LYS 41 Cb -0.05 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 2jub s LYS 41 CO 0.11 -0.38 0.22 0.15 0.10 0.00 0.00 175.35 175.55 2jub s LYS 42 N -3.85 3.69 0.02 1.78 -0.14 -1.26 -3.03 119.74 116.95 2jub s LYS 42 Ca 0.06 -0.51 0.23 0.00 -1.36 0.00 0.00 55.97 54.39 2jub s LYS 42 Cb 0.03 -3.75 0.09 0.00 -1.68 0.00 0.00 37.83 32.53 2jub s LYS 42 CO -0.09 -0.33 1.08 -3.47 -0.76 0.00 0.00 175.35 171.78 2jub n ASP 43 N 5.09 0.66 -0.46 2.83 -0.08 -1.18 -5.02 116.55 118.38 2jub n ASP 43 Ca -0.13 -0.40 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 2jub n ASP 43 Cb 0.51 0.73 0.00 0.00 2.34 0.00 0.00 41.12 44.69 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 1.43 -0.80 2.09 0.27 0.00 -1.26 -4.77 105.19 102.14 2jub n GLY 44 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.57 0.00 -3.40 4.61 0.00 -1.26 -4.96 120.51 116.07 2jub n ALA 45 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 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 -3.29 -0.63 0.08 0.00 2.01 -1.26 -4.08 115.64 108.47 2jub s THR 46 Ca 0.00 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.84 2jub s THR 46 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 2jub s THR 46 CO 0.00 0.00 0.52 -0.63 -0.69 0.00 0.00 174.62 173.82 2jub s ILE 47 N 2.65 4.86 -0.19 1.82 -1.09 -0.79 -3.11 121.20 125.35 2jub s ILE 47 Ca -0.01 0.95 -0.05 0.00 -2.23 0.00 0.00 60.65 59.32 2jub s ILE 47 Cb -0.09 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.98 2jub s ILE 47 CO -0.17 0.43 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.27 2jub s VAL 48 N -1.25 3.91 -0.06 2.92 1.01 -1.17 -2.58 120.40 123.19 2jub s VAL 48 Ca 0.31 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 2jub s VAL 48 Cb -0.17 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2jub s VAL 48 CO 0.18 0.44 0.23 -0.51 0.00 0.00 0.00 175.10 175.44 2jub s ILE 49 N 0.92 0.03 -0.19 2.22 -1.16 -1.01 -2.21 121.20 119.79 2jub s ILE 49 Ca 0.01 -0.24 -0.04 0.00 -0.51 0.00 0.00 60.65 59.87 2jub s ILE 49 Cb -0.14 -0.42 -0.02 0.00 0.61 0.00 0.00 42.46 42.49 2jub s ILE 49 CO 0.02 -0.13 -0.04 -0.44 -2.81 0.00 0.00 174.94 171.54 2jub s SER 50 N -0.48 4.54 0.00 4.50 0.01 -0.92 -1.20 113.70 120.15 2jub s SER 50 Ca -0.06 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2jub s SER 50 Cb -0.04 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2jub s SER 50 CO 0.01 0.06 0.57 -2.65 0.41 0.00 0.00 173.24 171.65 2jub n PRO 51 N 4.25 0.00 -0.12 12.44 -0.02 -1.26 -3.55 135.00 146.73 2jub n PRO 51 Ca -0.18 0.57 -0.24 0.00 -2.02 0.00 0.00 63.50 61.63 2jub n PRO 51 Cb 0.52 -1.01 -0.10 0.00 -0.02 0.00 0.00 33.50 32.89 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 -1.53 1.40 -3.00 3.55 0.00 -1.26 -3.46 120.51 116.21 2jub n ALA 52 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.43 2jub n ALA 52 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -3.88 0.00 -3.29 0.00 1.02 -1.26 -3.86 120.64 109.37 2jub n GLU 53 Ca -0.48 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.69 2jub n GLU 53 Cb 0.88 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.27 2jub n GLU 53 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2jub s GLU 54 N -0.75 0.34 -0.35 3.49 2.12 -1.26 -4.83 118.70 117.46 2jub s GLU 54 Ca 0.00 0.73 0.08 0.00 0.36 0.00 0.00 54.97 56.13 2jub s GLU 54 Cb 0.00 0.42 0.45 0.00 0.26 0.00 0.00 34.13 35.26 2jub s GLU 54 CO 0.00 -0.25 1.14 0.25 -0.54 0.00 0.00 175.26 175.86 2jub n THR 55 N 5.27 2.30 0.00 -1.70 -2.24 -1.26 -4.92 114.28 111.74 2jub n THR 55 Ca -0.07 -4.36 0.00 0.00 -2.27 0.00 0.00 64.05 57.35 2jub n THR 55 Cb 0.52 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 -0.58 0.00 1.22 6.98 0.00 -1.26 -4.56 120.51 122.32 2jub n ALA 56 Ca 0.38 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.94 2jub n ALA 56 Cb 0.83 -0.10 0.29 0.00 0.00 0.00 0.00 19.45 20.47 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 0.00 2.15 0.00 0.00 4.77 -1.26 -4.92 117.00 117.74 2jub n LEU 57 Ca 0.00 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2jub n LEU 57 Cb 0.00 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2jub n LEU 57 CO 0.00 0.36 0.00 0.49 -1.33 0.00 0.00 177.39 176.91 2jub n PHE 58 N 0.60 0.00 -3.89 -1.77 3.01 -1.26 -5.13 117.46 109.01 2jub n PHE 58 Ca 0.16 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.52 2jub n PHE 58 Cb 0.47 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.88 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 1.34 1.15 0.99 -1.08 -2.85 -1.26 -4.86 119.74 113.16 2jub s LYS 59 Ca 0.00 -1.07 -0.15 0.00 -1.00 0.00 0.00 55.97 53.75 2jub s LYS 59 Cb 0.00 0.40 0.19 0.00 -2.06 0.00 0.00 37.83 36.36 2jub s LYS 59 CO 0.00 -0.43 1.21 0.00 0.10 0.00 0.00 175.35 176.23 2jub s ALA 60 N -3.93 1.79 -0.03 0.59 0.00 -1.26 -4.87 121.76 114.04 2jub s ALA 60 Ca 0.13 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.21 2jub s ALA 60 Cb 0.03 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.27 2jub s ALA 60 CO -0.03 -2.58 -0.07 0.21 0.00 0.00 0.00 175.76 173.30 2jub s LYS 61 N -5.58 0.89 0.65 0.00 2.20 -0.34 -4.98 119.74 112.58 2jub s LYS 61 Ca 0.69 -0.21 -0.09 0.00 -0.36 0.00 0.00 55.97 56.00 2jub s LYS 61 Cb -0.09 -0.85 0.01 0.00 -1.51 0.00 0.00 37.83 35.40 2jub s LYS 61 CO 0.53 0.03 1.01 -1.01 -0.36 0.00 0.00 175.35 175.55 2jub s HIS 62 N 0.49 3.31 -0.24 4.03 3.76 -1.26 -2.41 115.29 122.97 2jub s HIS 62 Ca -0.07 0.88 -0.08 0.00 -0.15 0.00 0.00 55.06 55.64 2jub s HIS 62 Cb -0.11 -2.91 0.11 0.00 1.11 0.00 0.00 32.58 30.78 2jub s HIS 62 CO 0.01 -1.00 0.50 0.42 -0.85 0.00 0.00 174.74 173.81 2jub s ILE 63 N -3.19 -0.77 0.63 0.60 1.01 -1.07 -4.90 121.20 113.50 2jub s ILE 63 Ca 0.56 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 61.13 2jub s ILE 63 Cb -0.11 -0.79 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 2jub s ILE 63 CO 0.49 0.04 1.21 -0.44 0.00 0.00 0.00 174.94 176.23 2jub s SER 64 N 2.71 4.97 0.22 3.58 0.01 -1.26 -1.88 113.70 122.06 2jub s SER 64 Ca -0.02 2.37 -0.07 0.00 1.31 0.00 0.00 55.95 59.54 2jub s SER 64 Cb -0.12 -2.59 0.35 0.00 0.21 0.00 0.00 66.02 63.86 2jub s SER 64 CO -0.15 -1.74 1.76 0.00 0.41 0.00 0.00 173.24 173.52 2jub h ALA 65 N 0.59 0.94 -0.98 1.44 0.00 -1.94 0.12 119.26 119.43 2jub h ALA 65 Ca -0.50 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.53 2jub h ALA 65 Cb 1.30 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2jub h ALA 65 CO 0.54 -0.13 0.64 0.00 0.00 0.00 0.00 179.25 180.30 2jub h ALA 66 N 1.45 1.37 -0.40 0.00 0.00 -1.93 -0.44 119.26 119.32 2jub h ALA 66 Ca 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2jub h ALA 66 Cb 0.43 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jub h ALA 66 CO -0.31 0.53 0.21 0.45 0.00 0.00 0.00 179.25 180.13 2jub h HIS 67 N 1.23 0.53 -0.33 0.00 -0.00 -1.13 -0.11 115.15 115.33 2jub h HIS 67 Ca 0.39 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.77 2jub h HIS 67 Cb 0.02 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 2jub h HIS 67 CO -0.00 0.38 0.22 1.25 -0.00 0.00 0.00 177.93 179.78 2jub h LEU 68 N 0.55 0.36 -0.83 2.43 7.12 -0.14 -0.41 115.31 124.39 2jub h LEU 68 Ca 0.14 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 2jub h LEU 68 Cb 0.03 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 40.03 2jub h LEU 68 CO -0.02 0.26 0.52 0.50 -0.13 0.00 0.00 178.44 179.56 2jub h LYS 69 N 0.42 1.11 -0.92 1.25 1.63 -0.86 -2.26 116.57 116.95 2jub h LYS 69 Ca 0.12 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2jub h LYS 69 Cb -0.01 -0.24 -0.05 0.00 -0.60 0.00 0.00 32.23 31.34 2jub h LYS 69 CO -0.03 0.77 0.60 0.82 -3.45 0.00 0.00 179.45 178.16 2jub h ILE 70 N 1.13 1.24 -0.36 2.00 2.04 -1.01 -2.73 117.51 119.83 2jub h ILE 70 Ca 0.30 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2jub h ILE 70 Cb -0.07 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 35.88 2jub h ILE 70 CO -0.06 0.23 0.23 0.40 0.00 0.00 0.00 178.15 178.95 2jub h ILE 71 N 1.25 1.07 -0.96 -0.67 2.04 -1.20 -1.90 117.51 117.16 2jub h ILE 71 Ca 0.34 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 66.11 2jub h ILE 71 Cb -0.13 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 2jub h ILE 71 CO -0.07 0.08 0.62 0.00 0.00 0.00 0.00 178.15 178.78 2jub h ALA 72 N 1.14 1.49 -0.84 1.87 0.00 -1.43 -1.11 119.26 120.38 2jub h ALA 72 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2jub h ALA 72 Cb -0.04 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2jub h ALA 72 CO -0.04 0.35 0.38 0.87 0.00 0.00 0.00 179.25 180.81 2jub h LYS 73 N 1.07 1.23 0.13 0.00 1.57 -1.20 -2.57 116.57 116.81 2jub h LYS 73 Ca 0.43 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2jub h LYS 73 Cb 0.25 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2jub h LYS 73 CO -0.18 0.95 -0.07 -0.91 -0.57 0.00 0.00 179.45 178.68 2jub h ASN 74 N 1.21 -0.16 -0.21 0.86 -0.26 -0.50 -3.10 115.58 113.41 2jub h ASN 74 Ca 0.29 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 56.01 2jub h ASN 74 Cb 0.15 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 2jub h ASN 74 CO -0.03 -0.11 0.03 -0.07 -1.06 0.00 0.00 177.43 176.18 2jub h LEU 75 N -0.18 0.34 -0.34 1.61 -0.00 -1.46 -3.35 115.31 111.92 2jub h LEU 75 Ca -0.02 -0.27 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2jub h LEU 75 Cb 0.14 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 2jub h LEU 75 CO 0.03 0.52 0.00 0.00 -0.00 0.00 0.00 178.44 178.99