#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 -7.38 -0.33 0.00 -2.24 -1.26 -4.29 114.28 98.78 2jub n THR 2 Ca 0.00 1.44 -0.04 0.00 -2.27 0.00 0.00 64.05 63.18 2jub n THR 2 Cb 0.00 -4.76 0.08 0.00 -2.10 0.00 0.00 70.33 63.55 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 4.29 1.12 0.24 3.22 6.46 -1.98 -1.99 115.31 126.67 2jub h LEU 3 Ca -0.24 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.40 2jub h LEU 3 Cb 0.65 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2jub h LEU 3 CO 0.02 0.91 -0.12 0.74 -0.62 0.00 0.00 178.44 179.36 2jub h THR 4 N 1.24 0.76 -0.40 1.05 2.02 -1.95 -1.17 112.91 114.45 2jub h THR 4 Ca 0.31 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.37 2jub h THR 4 Cb 0.05 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2jub h THR 4 CO -0.05 0.00 -0.23 -1.28 0.37 0.00 0.00 175.52 174.33 2jub h SER 5 N -0.33 0.90 -0.37 4.18 0.87 -1.84 -2.97 113.55 113.99 2jub h SER 5 Ca -0.03 -0.42 -0.15 0.00 -1.23 0.00 0.00 61.79 59.96 2jub h SER 5 Cb 0.25 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2jub h SER 5 CO 0.05 1.12 -0.37 -0.33 -0.53 0.00 0.00 176.83 176.78 2jub h GLU 6 N 0.68 0.90 0.00 2.24 4.39 -1.31 -2.71 114.58 118.78 2jub h GLU 6 Ca 0.09 -0.47 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 2jub h GLU 6 Cb 0.80 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2jub h GLU 6 CO 0.07 1.12 -0.00 0.28 -1.16 0.00 0.00 179.01 179.32 2jub h VAL 7 N 0.71 1.43 -0.07 3.13 2.07 -1.27 -2.40 116.25 119.86 2jub h VAL 7 Ca 0.06 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2jub h VAL 7 Cb 0.96 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2jub h VAL 7 CO 0.09 0.34 0.04 0.40 0.02 0.00 0.00 177.57 178.46 2jub h ILE 8 N -0.57 1.03 -0.98 4.57 5.03 -1.63 -2.67 117.51 122.29 2jub h ILE 8 Ca -0.00 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2jub h ILE 8 Cb 0.56 0.95 -0.05 0.00 -3.03 0.00 0.00 36.82 35.25 2jub h ILE 8 CO 0.00 0.02 0.63 0.11 -0.68 0.00 0.00 178.15 178.23 2jub h LYS 9 N 0.08 1.31 -0.88 2.37 1.79 -1.57 -2.25 116.57 117.42 2jub h LYS 9 Ca 0.02 -0.10 0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2jub h LYS 9 Cb 0.00 -0.29 -0.05 0.00 -1.58 0.00 0.00 32.23 30.32 2jub h LYS 9 CO -0.00 0.89 0.58 0.00 -1.08 0.00 0.00 179.45 179.84 2jub h ALA 10 N 1.35 1.41 -2.82 3.86 0.00 -1.15 -3.40 119.26 118.52 2jub h ALA 10 Ca 0.36 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.92 2jub h ALA 10 Cb -0.11 -0.33 -0.35 0.00 0.00 0.00 0.00 17.79 16.99 2jub h ALA 10 CO -0.07 0.52 -0.62 -0.80 0.00 0.00 0.00 179.25 178.28 2jub s ASN 11 N -6.19 0.99 0.84 0.00 0.02 -0.85 -4.88 114.94 104.87 2jub s ASN 11 Ca -0.12 0.12 -0.12 0.00 -1.02 0.00 0.00 52.86 51.73 2jub s ASN 11 Cb 0.18 0.38 0.10 0.00 0.02 0.00 0.00 41.25 41.93 2jub s ASN 11 CO 0.80 -0.28 1.16 -0.75 0.02 0.00 0.00 177.10 178.05 2jub s LYS 12 N 2.33 1.70 0.00 -0.60 2.20 -1.19 -4.58 119.74 119.61 2jub s LYS 12 Ca 0.04 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 2jub s LYS 12 Cb -0.14 -1.91 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 2jub s LYS 12 CO -0.09 -1.79 0.00 0.41 -0.36 0.00 0.00 175.35 173.52 2jub n GLY 13 N -2.94 0.00 3.50 5.54 0.00 -1.26 -4.64 105.19 105.39 2jub n GLY 13 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2jub n GLY 13 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jub n ARG 14 N -0.37 0.27 -2.95 1.61 1.85 -1.26 -3.68 116.66 112.13 2jub n ARG 14 Ca 0.00 -0.55 -0.01 0.00 -1.00 0.00 0.00 57.85 56.29 2jub n ARG 14 Cb 0.00 -2.51 -0.01 0.00 -1.05 0.00 0.00 32.46 28.89 2jub n ARG 14 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2jub n GLU 15 N 7.19 -2.10 -1.61 2.89 4.07 -1.26 -4.61 120.64 125.22 2jub n GLU 15 Ca 0.51 1.86 -0.37 0.00 -0.06 0.00 0.00 57.16 59.10 2jub n GLU 15 Cb 0.33 -2.63 -0.03 0.00 -0.06 0.00 0.00 31.44 29.05 2jub n GLU 15 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2jub s GLY 16 N -0.76 -0.26 0.00 8.31 0.00 -1.24 -4.30 107.32 109.07 2jub s GLY 16 Ca -0.06 0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.72 2jub s GLY 16 CO 0.32 4.03 0.00 1.17 0.00 0.00 0.00 173.10 178.62 2jub n LYS 17 N 8.99 0.00 -3.51 2.90 4.81 -1.26 -4.89 118.16 125.20 2jub n LYS 17 Ca 0.34 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.42 2jub n LYS 17 Cb 0.53 -0.06 -0.07 0.00 0.02 0.00 0.00 35.03 35.45 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 -1.53 4.26 -0.12 1.64 0.04 -1.26 -3.08 135.00 134.95 2jub s PRO 18 Ca 0.00 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.20 2jub s PRO 18 Cb 0.00 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 2jub s PRO 18 CO 0.00 0.23 -0.17 1.41 0.04 0.00 0.00 177.00 178.51 2jub s MET 19 N 0.47 3.25 -0.25 4.56 1.75 -1.21 -4.91 119.30 122.95 2jub s MET 19 Ca 0.18 -0.76 -0.07 0.00 -1.25 0.00 0.00 55.69 53.78 2jub s MET 19 Cb -0.13 -2.51 -0.03 0.00 2.84 0.00 0.00 34.83 35.00 2jub s MET 19 CO 0.05 0.19 0.07 0.42 -0.65 0.00 0.00 175.02 175.10 2jub s ILE 20 N 0.38 4.31 -0.56 10.11 -1.09 -1.26 -2.23 121.20 130.85 2jub s ILE 20 Ca -0.14 -0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 57.95 2jub s ILE 20 Cb -0.17 -3.02 0.14 0.00 -1.58 0.00 0.00 42.46 37.83 2jub s ILE 20 CO 0.07 0.33 0.51 -0.94 -1.23 0.00 0.00 174.94 173.68 2jub s SER 21 N 1.61 6.19 0.04 3.58 1.04 -1.16 -4.89 113.70 120.12 2jub s SER 21 Ca 0.06 -1.91 0.16 0.00 0.48 0.00 0.00 55.95 54.74 2jub s SER 21 Cb -0.15 -2.19 0.68 0.00 0.10 0.00 0.00 66.02 64.46 2jub s SER 21 CO 0.04 -0.81 1.51 0.00 0.98 0.00 0.00 173.24 174.95 2jub n LEU 22 N 5.06 0.10 -0.31 2.42 -0.00 -1.26 0.16 117.00 123.17 2jub n LEU 22 Ca -0.10 0.53 -0.04 0.00 -0.00 0.00 0.00 56.01 56.40 2jub n LEU 22 Cb 0.41 -0.51 0.08 0.00 -0.00 0.00 0.00 43.42 43.40 2jub n LEU 22 CO 0.50 -0.30 1.22 0.58 -0.00 0.00 0.00 177.39 179.40 2jub h VAL 23 N 0.00 1.22 0.00 1.47 2.07 -1.99 -3.28 116.25 115.74 2jub h VAL 23 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2jub h VAL 23 Cb 0.27 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2jub h VAL 23 CO 0.00 0.21 0.00 0.47 0.02 0.00 0.00 177.57 178.27 2jub n ASP 24 N -4.50 0.54 -2.81 0.57 8.00 -1.10 -5.07 116.55 112.17 2jub n ASP 24 Ca 0.09 -1.06 -0.06 0.00 0.71 0.00 0.00 54.79 54.47 2jub n ASP 24 Cb 0.01 0.00 0.01 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 -0.03 -2.09 3.05 0.44 0.00 0.41 -5.05 105.19 101.93 2jub n GLY 25 Ca 0.00 1.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.96 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 -2.36 0.21 -0.07 1.61 2.02 -1.12 -4.97 118.70 114.02 2jub s GLU 26 Ca 0.19 0.31 -0.25 0.00 0.02 0.00 0.00 54.97 55.23 2jub s GLU 26 Cb -0.05 0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.20 2jub s GLU 26 CO 0.77 -0.06 0.79 -2.00 0.02 0.00 0.00 175.26 174.79 2jub s GLU 27 N 0.36 4.45 -0.54 1.61 -6.30 -1.26 -3.00 118.70 114.02 2jub s GLU 27 Ca -0.02 1.04 0.05 0.00 -2.50 0.00 0.00 54.97 53.54 2jub s GLU 27 Cb -0.04 -3.47 0.19 0.00 0.00 0.00 0.00 34.13 30.81 2jub s GLU 27 CO -0.02 -0.03 0.46 -0.89 0.02 0.00 0.00 175.26 174.81 2jub n ILE 28 N 3.96 0.22 -2.20 -3.70 -0.00 -0.95 -5.03 119.36 111.67 2jub n ILE 28 Ca 0.02 -4.19 -0.43 0.00 -0.00 0.00 0.00 62.75 58.14 2jub n ILE 28 Cb 0.51 -1.92 -0.02 0.00 -0.00 0.00 0.00 39.64 38.20 2jub n ILE 28 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 2jub s LYS 29 N -0.90 3.47 0.00 0.38 -2.85 -1.26 -3.25 119.74 115.33 2jub s LYS 29 Ca 0.31 1.15 0.00 0.00 -1.00 0.00 0.00 55.97 56.43 2jub s LYS 29 Cb 0.04 -4.10 0.00 0.00 -2.06 0.00 0.00 37.83 31.71 2jub s LYS 29 CO -0.16 -1.69 0.00 0.41 0.10 0.00 0.00 175.35 174.01 2jub n GLY 30 N 5.23 0.23 3.04 0.59 0.00 -1.18 -5.02 105.19 108.08 2jub n GLY 30 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.23 0.09 -0.58 2.61 -4.23 -1.20 -4.29 115.64 107.81 2jub s THR 31 Ca 0.00 -0.73 0.04 0.00 -1.18 0.00 0.00 61.69 59.82 2jub s THR 31 Cb 0.00 -0.33 0.15 0.00 1.34 0.00 0.00 72.50 73.66 2jub s THR 31 CO 0.00 -0.40 0.36 0.68 -0.54 0.00 0.00 174.62 174.72 2jub s VAL 32 N -1.29 2.38 -1.35 2.29 -7.23 -1.26 -4.11 120.40 109.82 2jub s VAL 32 Ca -0.14 -3.55 -0.06 0.00 -1.81 0.00 0.00 61.98 56.42 2jub s VAL 32 Cb -0.08 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.28 2jub s VAL 32 CO 0.00 -0.93 0.43 -1.22 -0.31 0.00 0.00 175.10 173.07 2jub n TYR 33 N 2.69 -1.76 -3.05 2.82 4.01 -1.26 -4.91 117.16 115.70 2jub n TYR 33 Ca 0.13 0.39 -0.39 0.00 -0.16 0.00 0.00 57.90 57.87 2jub n TYR 33 Cb 0.35 -3.46 -0.06 0.00 -0.31 0.00 0.00 39.34 35.87 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 -6.39 4.50 0.00 7.72 2.96 -1.26 -3.50 118.68 122.71 2jub s LEU 34 Ca 0.29 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 2jub s LEU 34 Cb -0.14 -3.17 0.00 0.00 0.50 0.00 0.00 46.19 43.38 2jub s LEU 34 CO 0.35 0.12 0.00 0.61 -1.32 0.00 0.00 176.35 176.12 2jub n GLY 35 N 2.05 0.50 0.21 7.98 0.00 -1.26 -4.88 105.19 109.80 2jub n GLY 35 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 1.31 2.98 0.00 1.61 8.00 -1.24 -5.02 116.55 124.19 2jub n ASP 36 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jub n ASP 36 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 3.27 0.00 3.62 0.44 0.00 -1.24 -4.86 105.19 106.41 2jub n GLY 37 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 1.60 -3.71 1.61 4.27 -1.21 -4.21 117.44 115.79 2jub n TRP 38 Ca 0.00 0.61 -0.14 0.00 -3.89 0.00 0.00 57.50 54.09 2jub n TRP 38 Cb 0.00 -2.33 -0.09 0.00 -1.36 0.00 0.00 31.31 27.53 2jub n TRP 38 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 2jub s SER 39 N -0.15 -0.43 0.38 -0.67 1.04 -1.23 -5.04 113.70 107.60 2jub s SER 39 Ca 0.65 0.75 -0.16 0.00 0.48 0.00 0.00 55.95 57.68 2jub s SER 39 Cb -0.72 0.79 0.06 0.00 0.10 0.00 0.00 66.02 66.24 2jub s SER 39 CO 0.55 -0.23 0.80 0.00 0.98 0.00 0.00 173.24 175.33 2jub s ALA 40 N -0.12 -0.75 -0.12 5.32 0.00 -1.26 -2.05 121.76 122.79 2jub s ALA 40 Ca -0.03 -0.75 -0.27 0.00 0.00 0.00 0.00 51.96 50.91 2jub s ALA 40 Cb -0.03 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.82 2jub s ALA 40 CO 0.02 -0.99 0.65 -1.59 0.00 0.00 0.00 175.76 173.85 2jub s LYS 41 N -2.28 0.93 -0.24 0.00 -2.85 -0.75 -5.00 119.74 109.56 2jub s LYS 41 Ca 0.16 0.45 -0.14 0.00 -1.00 0.00 0.00 55.97 55.44 2jub s LYS 41 Cb -0.05 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.12 2jub s LYS 41 CO 0.11 -0.24 0.31 0.15 0.10 0.00 0.00 175.35 175.79 2jub s LYS 42 N -0.68 4.08 0.00 1.78 1.02 -1.26 -2.14 119.74 122.55 2jub s LYS 42 Ca -0.07 -0.01 0.17 0.00 0.02 0.00 0.00 55.97 56.08 2jub s LYS 42 Cb -0.02 -3.58 0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2jub s LYS 42 CO 0.06 -0.09 0.92 -3.47 -0.92 0.00 0.00 175.35 171.85 2jub n ASP 43 N 4.72 1.79 0.00 2.83 -0.08 -1.16 -5.00 116.55 119.64 2jub n ASP 43 Ca -0.11 -1.39 0.00 0.00 -1.51 0.00 0.00 54.79 51.78 2jub n ASP 43 Cb 0.51 0.43 0.00 0.00 2.34 0.00 0.00 41.12 44.40 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 1.19 0.05 0.00 0.27 0.00 -1.26 -4.84 105.19 100.60 2jub n GLY 44 Ca 0.08 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.49 2.42 -2.81 4.61 0.00 -1.26 -4.72 120.51 118.26 2jub n ALA 45 Ca 0.00 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.01 2jub n ALA 45 Cb 0.00 -1.45 -0.17 0.00 0.00 0.00 0.00 19.45 17.84 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 -3.00 2.04 -0.18 0.00 2.01 -1.26 -1.19 115.64 114.06 2jub s THR 46 Ca 0.14 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 2jub s THR 46 Cb 0.19 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 2jub s THR 46 CO 0.54 0.57 0.04 -0.63 -0.69 0.00 0.00 174.62 174.45 2jub s ILE 47 N -0.09 4.62 -0.35 1.82 -1.09 -0.94 -2.99 121.20 122.18 2jub s ILE 47 Ca -0.06 -0.09 -0.18 0.00 -2.23 0.00 0.00 60.65 58.09 2jub s ILE 47 Cb -0.14 -3.07 -0.00 0.00 -1.58 0.00 0.00 42.46 37.66 2jub s ILE 47 CO 0.04 0.47 0.51 -0.69 -1.23 0.00 0.00 174.94 174.04 2jub s VAL 48 N 0.35 5.02 0.00 2.92 1.01 -0.91 -2.67 120.40 126.13 2jub s VAL 48 Ca 0.02 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2jub s VAL 48 Cb -0.13 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2jub s VAL 48 CO 0.01 -0.21 -0.07 -0.51 0.00 0.00 0.00 175.10 174.32 2jub s ILE 49 N 2.37 0.57 -0.24 2.22 -1.16 -1.01 -1.81 121.20 122.14 2jub s ILE 49 Ca 0.18 -0.40 -0.05 0.00 -0.51 0.00 0.00 60.65 59.87 2jub s ILE 49 Cb -0.15 -0.50 -0.01 0.00 0.61 0.00 0.00 42.46 42.41 2jub s ILE 49 CO 0.13 0.09 0.01 -0.44 -2.81 0.00 0.00 174.94 171.92 2jub s SER 50 N -0.35 4.68 0.00 4.50 0.01 -0.87 -1.39 113.70 120.29 2jub s SER 50 Ca 0.01 -0.43 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2jub s SER 50 Cb -0.04 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.38 2jub s SER 50 CO -0.00 -0.06 0.55 -2.65 0.41 0.00 0.00 173.24 171.49 2jub n PRO 51 N 4.84 0.00 -0.12 12.44 -0.02 -1.26 -3.54 135.00 147.33 2jub n PRO 51 Ca -0.17 0.55 -0.25 0.00 -2.02 0.00 0.00 63.50 61.62 2jub n PRO 51 Cb 0.50 -0.97 -0.10 0.00 -0.02 0.00 0.00 33.50 32.91 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 0.97 -3.00 3.55 0.00 -1.26 -3.47 120.51 115.77 2jub n ALA 52 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2jub n ALA 52 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 19.45 19.26 2jub n ALA 52 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jub n GLU 53 N -4.36 0.00 -3.34 0.00 0.28 -1.25 -3.31 120.64 108.67 2jub n GLU 53 Ca -0.41 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 56.61 2jub n GLU 53 Cb 0.76 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.60 2jub n GLU 53 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2jub s GLU 54 N 0.70 0.40 -0.35 3.44 2.12 -1.26 -4.85 118.70 118.90 2jub s GLU 54 Ca 0.00 0.86 0.06 0.00 0.36 0.00 0.00 54.97 56.25 2jub s GLU 54 Cb 0.00 0.50 0.46 0.00 0.26 0.00 0.00 34.13 35.35 2jub s GLU 54 CO 0.00 -0.27 1.31 0.25 -0.54 0.00 0.00 175.26 176.01 2jub n THR 55 N 5.29 2.69 0.00 -1.70 -2.24 -1.26 -4.90 114.28 112.16 2jub n THR 55 Ca -0.07 -4.05 0.00 0.00 -2.27 0.00 0.00 64.05 57.65 2jub n THR 55 Cb 0.52 -1.15 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 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 -0.73 0.00 1.41 6.98 0.00 -1.26 -4.61 120.51 122.30 2jub n ALA 56 Ca 0.47 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.04 2jub n ALA 56 Cb 0.92 -0.08 0.48 0.00 0.00 0.00 0.00 19.45 20.76 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 1.32 0.00 0.00 7.99 -1.26 -4.90 117.00 120.16 2jub n LEU 57 Ca 0.00 -0.41 0.00 0.00 -0.01 0.00 0.00 56.01 55.59 2jub n LEU 57 Cb 0.00 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 2jub n LEU 57 CO 0.00 0.23 0.00 0.49 -1.51 0.00 0.00 177.39 176.60 2jub n PHE 58 N -0.12 0.00 -3.94 -1.77 3.01 -1.26 -5.12 117.46 108.26 2jub n PHE 58 Ca 0.17 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.54 2jub n PHE 58 Cb 0.35 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.74 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 1.06 0.76 1.12 -1.08 -2.85 -1.26 -4.85 119.74 112.64 2jub s LYS 59 Ca 0.00 -1.05 -0.17 0.00 -1.00 0.00 0.00 55.97 53.75 2jub s LYS 59 Cb 0.00 0.30 0.25 0.00 -2.06 0.00 0.00 37.83 36.32 2jub s LYS 59 CO 0.00 -0.21 1.13 0.00 0.10 0.00 0.00 175.35 176.37 2jub s ALA 60 N -3.88 0.92 -0.07 0.59 0.00 -1.26 -4.87 121.76 113.19 2jub s ALA 60 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2jub s ALA 60 Cb 0.06 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.28 2jub s ALA 60 CO -0.11 -3.24 -0.05 0.21 0.00 0.00 0.00 175.76 172.57 2jub s LYS 61 N -5.37 1.09 -0.42 0.00 2.20 -0.49 -4.99 119.74 111.77 2jub s LYS 61 Ca 0.70 -0.14 -0.20 0.00 -0.36 0.00 0.00 55.97 55.97 2jub s LYS 61 Cb -0.11 -1.15 0.02 0.00 -1.51 0.00 0.00 37.83 35.07 2jub s LYS 61 CO 0.56 -0.17 0.58 -1.01 -0.36 0.00 0.00 175.35 174.95 2jub s HIS 62 N 1.34 3.11 -0.20 4.03 3.76 -1.26 -2.41 115.29 123.65 2jub s HIS 62 Ca -0.04 -0.07 -0.05 0.00 -0.15 0.00 0.00 55.06 54.76 2jub s HIS 62 Cb -0.14 -3.18 -0.02 0.00 1.11 0.00 0.00 32.58 30.35 2jub s HIS 62 CO -0.03 -0.78 -0.01 -1.50 -0.85 0.00 0.00 174.74 171.58 2jub s ILE 63 N 2.61 3.88 0.86 0.60 2.07 -1.09 -5.01 121.20 125.13 2jub s ILE 63 Ca 0.20 -0.34 -0.13 0.00 -1.41 0.00 0.00 60.65 58.97 2jub s ILE 63 Cb -0.15 -2.75 0.06 0.00 0.13 0.00 0.00 42.46 39.74 2jub s ILE 63 CO 0.17 0.43 0.78 -1.20 -1.91 0.00 0.00 174.94 173.21 2jub n SER 64 N 4.27 -0.62 0.03 4.50 7.64 -1.26 -2.22 113.62 125.96 2jub n SER 64 Ca -0.17 0.46 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 2jub n SER 64 Cb 0.52 -1.34 -0.07 0.00 -1.01 0.00 0.00 64.21 62.31 2jub n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jub h ALA 65 N -1.23 0.03 -0.92 -0.43 0.00 -1.51 -2.12 119.26 113.08 2jub h ALA 65 Ca -0.44 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 54.61 2jub h ALA 65 Cb 1.30 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 2jub h ALA 65 CO 0.40 -0.46 0.52 0.00 0.00 0.00 0.00 179.25 179.71 2jub h ALA 66 N 0.97 1.45 0.00 0.00 0.00 -1.91 1.54 119.26 121.32 2jub h ALA 66 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jub h ALA 66 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jub h ALA 66 CO -0.00 -0.05 -0.06 0.45 0.00 0.00 0.00 179.25 179.58 2jub h HIS 67 N 0.70 0.00 -0.89 0.00 -0.00 -1.75 -0.30 115.15 112.91 2jub h HIS 67 Ca 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.89 2jub h HIS 67 Cb 0.74 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.11 2jub h HIS 67 CO -0.05 0.06 0.59 1.25 -0.00 0.00 0.00 177.93 179.78 2jub h LEU 68 N 0.00 1.02 -1.44 2.43 6.46 0.28 0.23 115.31 124.30 2jub h LEU 68 Ca -0.00 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 2jub h LEU 68 Cb 0.20 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 2jub h LEU 68 CO 0.01 0.73 0.37 0.11 -0.62 0.00 0.00 178.44 179.04 2jub h LYS 69 N 1.20 0.75 -1.00 1.25 6.56 -0.92 -0.83 116.57 123.58 2jub h LYS 69 Ca 0.33 -0.05 0.01 0.00 -1.06 0.00 0.00 60.65 59.89 2jub h LYS 69 Cb -0.12 -0.17 -0.05 0.00 -0.57 0.00 0.00 32.23 31.32 2jub h LYS 69 CO -0.07 0.50 0.66 0.82 -2.06 0.00 0.00 179.45 179.29 2jub h ILE 70 N 0.77 1.24 -0.88 1.86 2.04 -0.95 -0.79 117.51 120.79 2jub h ILE 70 Ca 0.21 -0.46 0.09 0.00 1.00 0.00 0.00 64.86 65.70 2jub h ILE 70 Cb -0.08 -0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 35.72 2jub h ILE 70 CO -0.04 0.24 0.57 0.40 0.00 0.00 0.00 178.15 179.32 2jub h ILE 71 N 1.34 1.00 -0.31 -0.67 2.04 -0.90 -1.60 117.51 118.40 2jub h ILE 71 Ca 0.37 -0.31 -0.15 0.00 1.00 0.00 0.00 64.86 65.77 2jub h ILE 71 Cb -0.13 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 35.95 2jub h ILE 71 CO -0.09 0.17 -0.42 0.00 0.00 0.00 0.00 178.15 177.81 2jub h ALA 72 N 1.55 0.68 0.02 1.87 0.00 -1.04 -3.14 119.26 119.21 2jub h ALA 72 Ca 0.40 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jub h ALA 72 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jub h ALA 72 CO -0.16 0.67 -0.01 0.87 0.00 0.00 0.00 179.25 180.61 2jub h LYS 73 N 0.62 -0.03 -0.27 0.00 1.57 -0.69 -2.25 116.57 115.52 2jub h LYS 73 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jub h LYS 73 Cb 0.98 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 2jub h LYS 73 CO 0.09 0.45 0.17 -0.97 -0.57 0.00 0.00 179.45 178.63 2jub h ASN 74 N -0.53 0.30 -0.22 0.86 -0.73 -1.50 -3.01 115.58 110.76 2jub h ASN 74 Ca -0.00 -0.01 -0.09 0.00 1.87 0.00 0.00 56.30 58.07 2jub h ASN 74 Cb 0.50 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.01 2jub h ASN 74 CO 0.01 0.22 -0.23 -0.07 -0.37 0.00 0.00 177.43 176.98 2jub h LEU 75 N 0.36 0.58 0.00 0.34 4.07 -1.65 -3.43 115.31 115.57 2jub h LEU 75 Ca 0.10 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.58 2jub h LEU 75 Cb -0.03 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.54 2jub h LEU 75 CO -0.03 0.94 0.00 0.00 -1.08 0.00 0.00 178.44 178.27