#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrr s THR 2 N 0.00 4.93 -0.32 2.03 -4.23 -1.26 -4.95 115.64 111.85 2jrr s THR 2 Ca 0.00 1.62 0.27 0.00 -1.18 0.00 0.00 61.69 62.40 2jrr s THR 2 Cb 0.00 -4.12 0.33 0.00 1.34 0.00 0.00 72.50 70.05 2jrr s THR 2 CO 0.00 0.26 1.79 0.16 -0.54 0.00 0.00 174.62 176.29 2jrr h ILE 3 N 4.61 0.00 -2.29 2.99 3.07 -1.96 -3.49 117.51 120.44 2jrr h ILE 3 Ca -0.42 -0.58 0.00 0.00 1.55 0.00 0.00 64.86 65.41 2jrr h ILE 3 Cb 1.20 1.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2jrr h ILE 3 CO 0.74 0.00 -0.57 0.00 -1.05 0.00 0.00 178.15 177.28 2jrr n GLN 4 N -2.77 -2.78 -2.86 0.16 6.02 -1.26 -4.98 117.38 108.92 2jrr n GLN 4 Ca 0.03 2.08 -0.03 0.00 -0.01 0.00 0.00 57.00 59.07 2jrr n GLN 4 Cb 0.37 -2.38 0.00 0.00 1.02 0.00 0.00 30.24 29.26 2jrr n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jrr n ALA 5 N -1.13 -2.65 -1.41 -1.58 0.00 -1.26 -4.87 120.51 107.60 2jrr n ALA 5 Ca 0.00 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 2jrr n ALA 5 Cb 0.05 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.26 2jrr n ALA 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2jrr n PRO 6 N -1.16 2.86 -1.58 0.00 -0.04 -1.26 -4.88 135.00 128.94 2jrr n PRO 6 Ca 0.04 -2.25 -0.33 0.00 -0.04 0.00 0.00 63.50 60.92 2jrr n PRO 6 Cb 0.47 -2.99 0.07 0.00 -0.04 0.00 0.00 33.50 31.01 2jrr n PRO 6 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2jrr s GLU 7 N 3.13 2.47 0.01 0.54 2.56 -1.26 -4.82 118.70 121.33 2jrr s GLU 7 Ca 0.55 1.51 0.06 0.00 0.00 0.00 0.00 54.97 57.10 2jrr s GLU 7 Cb 0.15 -1.90 -0.02 0.00 2.00 0.00 0.00 34.13 34.36 2jrr s GLU 7 CO -0.05 -1.53 -0.20 0.99 -0.56 0.00 0.00 175.26 173.92 2jrr s THR 8 N -2.26 1.57 -0.04 -1.70 2.01 -1.26 0.01 115.64 113.97 2jrr s THR 8 Ca 0.69 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 2jrr s THR 8 Cb -0.23 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 70.97 2jrr s THR 8 CO 0.44 0.33 -0.00 -0.54 -0.69 0.00 0.00 174.62 174.16 2jrr s LYS 9 N -0.75 0.41 -0.42 4.92 1.02 -0.45 -4.88 119.74 119.59 2jrr s LYS 9 Ca 0.07 0.08 -0.20 0.00 0.02 0.00 0.00 55.97 55.95 2jrr s LYS 9 Cb -0.08 -0.64 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 2jrr s LYS 9 CO 0.00 -0.18 0.60 0.42 -0.92 0.00 0.00 175.35 175.27 2jrr s ILE 10 N 1.30 4.89 0.32 2.17 1.09 -1.26 -0.07 121.20 129.65 2jrr s ILE 10 Ca -0.06 0.09 0.07 0.00 -1.10 0.00 0.00 60.65 59.66 2jrr s ILE 10 Cb -0.13 -4.15 -0.02 0.00 -1.06 0.00 0.00 42.46 37.09 2jrr s ILE 10 CO -0.02 -0.52 0.33 0.68 -0.10 0.00 0.00 174.94 175.31 2jrr s VAL 11 N 2.67 3.85 -0.12 2.92 -7.23 0.56 -4.94 120.40 118.10 2jrr s VAL 11 Ca 0.21 -1.26 0.20 0.00 -1.81 0.00 0.00 61.98 59.31 2jrr s VAL 11 Cb -0.15 -3.30 -0.23 0.00 0.56 0.00 0.00 36.38 33.27 2jrr s VAL 11 CO 0.17 -0.20 0.54 0.47 -0.31 0.00 0.00 175.10 175.78 2jrr n ASP 12 N -1.42 0.31 -4.39 4.85 8.00 -1.26 -1.32 116.55 121.32 2jrr n ASP 12 Ca -0.02 0.13 -0.28 0.00 0.71 0.00 0.00 54.79 55.33 2jrr n ASP 12 Cb 0.59 1.13 -0.13 0.00 -0.02 0.00 0.00 41.12 42.70 2jrr n ASP 12 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jrr s LYS 13 N -3.13 1.42 0.42 -1.24 1.02 -1.26 -4.71 119.74 112.25 2jrr s LYS 13 Ca -0.06 -1.39 0.20 0.00 0.02 0.00 0.00 55.97 54.74 2jrr s LYS 13 Cb 0.10 -1.86 0.91 0.00 -0.52 0.00 0.00 37.83 36.46 2jrr s LYS 13 CO 0.85 0.43 1.85 0.77 -0.92 0.00 0.00 175.35 178.33 2jrr h SER 14 N 3.70 0.00 -3.82 2.83 0.02 -1.93 -3.42 113.55 110.93 2jrr h SER 14 Ca -0.49 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 59.81 2jrr h SER 14 Cb 1.18 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.53 2jrr h SER 14 CO 0.41 0.30 -0.55 -0.60 -1.14 0.00 0.00 176.83 175.25 2jrr s ARG 15 N -3.92 3.86 0.01 3.45 6.06 -1.26 -0.81 118.95 126.33 2jrr s ARG 15 Ca -0.01 -0.37 0.04 0.00 -2.50 0.00 0.00 55.73 52.89 2jrr s ARG 15 Cb 0.12 -3.57 -0.01 0.00 0.06 0.00 0.00 34.95 31.55 2jrr s ARG 15 CO 0.67 -0.19 -0.14 0.08 -2.50 0.00 0.00 175.30 173.22 2jrr s VAL 16 N 1.72 1.09 -0.33 7.11 1.01 -0.33 -4.99 120.40 125.68 2jrr s VAL 16 Ca 0.07 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.14 2jrr s VAL 16 Cb -0.16 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 2jrr s VAL 16 CO 0.09 0.21 0.55 0.00 0.00 0.00 0.00 175.10 175.95 2jrr s ALA 17 N -0.49 3.50 -0.98 5.51 0.00 -1.26 0.21 121.76 128.25 2jrr s ALA 17 Ca 0.04 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 2jrr s ALA 17 Cb -0.06 -3.04 0.05 0.00 0.00 0.00 0.00 23.12 20.07 2jrr s ALA 17 CO 0.00 -1.14 1.42 0.00 0.00 0.00 0.00 175.76 176.04 2jrr n ASP 19 N 8.90 0.00 0.00 0.00 -0.08 -1.26 -4.42 116.55 119.69 2jrr n ASP 19 Ca 0.28 0.43 0.00 0.00 -1.51 0.00 0.00 54.79 54.00 2jrr n ASP 19 Cb 0.51 -0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.79 2jrr n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2jrr n GLY 20 N 0.78 -0.50 0.12 0.27 0.00 -1.26 -0.04 105.19 104.55 2jrr n GLY 20 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2jrr n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jrr n GLY 21 N 0.00 -0.33 3.91 -0.02 0.00 -1.25 -4.82 105.19 102.67 2jrr n GLY 21 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2jrr n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jrr s GLU 22 N -0.59 2.84 0.17 1.61 0.41 -1.26 -4.97 118.70 116.90 2jrr s GLU 22 Ca 0.00 -1.22 -0.26 0.00 -0.41 0.00 0.00 54.97 53.08 2jrr s GLU 22 Cb 0.00 -2.59 0.04 0.00 -1.78 0.00 0.00 34.13 29.79 2jrr s GLU 22 CO 0.00 0.04 1.56 0.78 -0.49 0.00 0.00 175.26 177.16 2jrr h GLY 23 N 1.09 -0.48 2.00 -1.39 0.00 -1.98 0.14 103.07 102.44 2jrr h GLY 23 Ca -0.45 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.48 2jrr h GLY 23 CO 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.96 2jrr h ALA 24 N 0.64 1.00 -0.60 3.60 0.00 -2.04 -2.68 119.26 119.18 2jrr h ALA 24 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2jrr h ALA 24 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jrr h ALA 24 CO -0.74 0.00 0.00 1.28 0.00 0.00 0.00 179.25 179.79 2jrr n LEU 25 N -2.38 3.93 -4.79 0.00 4.77 0.39 -4.96 117.00 113.96 2jrr n LEU 25 Ca 0.02 -1.98 -0.37 0.00 -0.03 0.00 0.00 56.01 53.66 2jrr n LEU 25 Cb 0.28 -0.50 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 2jrr n LEU 25 CO 0.23 0.78 0.58 -0.83 -1.33 0.00 0.00 177.39 176.82 2jrr s GLY 26 N -0.90 2.78 0.17 -0.72 0.00 -0.68 -3.83 107.32 104.13 2jrr s GLY 26 Ca 0.44 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.48 2jrr s GLY 26 CO 0.25 0.86 0.51 0.30 0.00 0.00 0.00 173.10 175.02 2jrr s HIS 27 N -1.54 3.52 -1.08 1.90 3.76 0.94 -4.98 115.29 117.82 2jrr s HIS 27 Ca 0.47 0.90 -0.09 0.00 -0.15 0.00 0.00 55.06 56.19 2jrr s HIS 27 Cb -0.19 -2.26 -0.07 0.00 1.11 0.00 0.00 32.58 31.17 2jrr s HIS 27 CO 0.24 0.38 2.27 -0.35 -0.85 0.00 0.00 174.74 176.43 2jrr n PRO 28 N 0.41 2.39 -2.78 8.40 -0.04 -1.26 -4.61 135.00 137.51 2jrr n PRO 28 Ca -0.03 -1.74 -0.02 0.00 -0.04 0.00 0.00 63.50 61.67 2jrr n PRO 28 Cb 0.52 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2jrr n PRO 28 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2jrr n ARG 29 N 4.58 -3.13 -4.08 0.54 3.00 -1.26 -5.03 116.66 111.29 2jrr n ARG 29 Ca 0.53 2.56 -0.33 0.00 -0.00 0.00 0.00 57.85 60.61 2jrr n ARG 29 Cb 0.20 -5.17 -0.15 0.00 0.00 0.00 0.00 32.46 27.34 2jrr n ARG 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jrr s VAL 30 N -1.78 2.25 -0.43 5.15 -7.23 -1.26 -5.06 120.40 112.05 2jrr s VAL 30 Ca 0.05 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 58.90 2jrr s VAL 30 Cb -0.01 -2.09 0.03 0.00 0.56 0.00 0.00 36.38 34.86 2jrr s VAL 30 CO 0.74 0.32 0.45 0.26 -0.31 0.00 0.00 175.10 176.56 2jrr s TRP 31 N 1.24 3.17 0.33 2.82 0.52 -1.26 -0.58 118.94 125.18 2jrr s TRP 31 Ca 0.00 -0.40 -0.07 0.00 0.02 0.00 0.00 56.10 55.66 2jrr s TRP 31 Cb -0.16 -2.94 -0.06 0.00 -1.15 0.00 0.00 33.47 29.17 2jrr s TRP 31 CO -0.09 -0.72 0.63 -0.51 0.02 0.00 0.00 176.95 176.28 2jrr s LEU 32 N 2.15 3.97 -0.10 2.99 1.02 0.13 -4.90 118.68 123.95 2jrr s LEU 32 Ca 0.12 0.86 0.03 0.00 0.02 0.00 0.00 54.13 55.16 2jrr s LEU 32 Cb -0.17 -3.70 0.01 0.00 0.02 0.00 0.00 46.19 42.34 2jrr s LEU 32 CO 0.13 -0.27 -0.20 -1.58 0.02 0.00 0.00 176.35 174.45 2jrr s GLN 33 N -3.69 2.62 -0.29 1.70 2.00 -1.26 -1.19 119.66 119.55 2jrr s GLN 33 Ca 0.46 -0.73 -0.23 0.00 -2.00 0.00 0.00 55.36 52.87 2jrr s GLN 33 Cb -0.11 -2.04 -0.00 0.00 0.80 0.00 0.00 33.01 31.66 2jrr s GLN 33 CO 0.31 0.10 0.76 0.42 -0.50 0.00 0.00 175.29 176.38 2jrr s ILE 34 N 0.53 4.83 -0.15 -2.34 1.01 0.01 -4.83 121.20 120.26 2jrr s ILE 34 Ca -0.16 1.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 2jrr s ILE 34 Cb -0.17 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.19 2jrr s ILE 34 CO 0.06 -0.20 1.03 -2.16 0.00 0.00 0.00 174.94 173.67 2jrr s PRO 35 N 2.87 4.36 0.61 2.79 0.04 -1.26 -4.89 135.00 139.52 2jrr s PRO 35 Ca 0.31 1.39 0.31 0.00 0.04 0.00 0.00 61.00 63.06 2jrr s PRO 35 Cb -0.14 -3.58 1.75 0.00 0.04 0.00 0.00 34.50 32.56 2jrr s PRO 35 CO 0.12 -0.44 2.09 1.05 0.04 0.00 0.00 177.00 179.85 2jrr h GLU 36 N 7.26 0.00 -0.32 4.56 4.11 -1.96 -0.11 114.58 128.12 2jrr h GLU 36 Ca -0.27 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.07 2jrr h GLU 36 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2jrr h GLU 36 CO 0.90 0.00 -0.20 -0.44 0.07 0.00 0.00 179.01 179.35 2jrr h ASP 37 N 0.00 0.59 0.00 3.06 3.32 -1.99 -3.06 116.42 118.35 2jrr h ASP 37 Ca 0.07 -0.19 -0.26 0.00 0.02 0.00 0.00 57.03 56.66 2jrr h ASP 37 Cb 0.51 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 2jrr h ASP 37 CO -0.00 0.80 -1.49 0.35 -1.72 0.00 0.00 179.24 177.18 2jrr n THR 38 N -4.14 1.53 0.00 0.35 -2.24 -0.21 -4.84 114.28 104.72 2jrr n THR 38 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2jrr n THR 38 Cb 0.39 -2.04 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 2jrr n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jrr n GLY 39 N 1.41 0.60 3.54 3.38 0.00 -0.29 -4.02 105.19 109.80 2jrr n GLY 39 Ca -0.35 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 2jrr n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2jrr s TRP 40 N -2.00 -0.40 -0.02 1.61 1.48 -1.26 -1.57 118.94 116.77 2jrr s TRP 40 Ca 0.00 0.16 -0.03 0.00 -1.06 0.00 0.00 56.10 55.17 2jrr s TRP 40 Cb 0.00 0.59 0.00 0.00 -1.16 0.00 0.00 33.47 32.90 2jrr s TRP 40 CO 0.00 -0.85 0.08 0.54 -4.06 0.00 0.00 176.95 172.66 2jrr s VAL 41 N -3.60 0.02 -0.09 -0.66 0.11 -0.35 -4.43 120.40 111.39 2jrr s VAL 41 Ca 0.05 -0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 2jrr s VAL 41 Cb -0.02 -0.16 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 2jrr s VAL 41 CO -0.07 -0.08 0.13 -1.83 -3.33 0.00 0.00 175.10 169.92 2jrr s GLU 42 N -0.21 3.39 -0.56 1.54 -1.05 -1.26 -0.15 118.70 120.40 2jrr s GLU 42 Ca -0.03 -0.20 -0.17 0.00 -0.15 0.00 0.00 54.97 54.42 2jrr s GLU 42 Cb -0.02 -3.13 0.12 0.00 -0.44 0.00 0.00 34.13 30.66 2jrr s GLU 42 CO 0.00 0.75 0.56 0.00 0.95 0.00 0.00 175.26 177.53 2jrr n PRO 44 N 5.57 0.18 0.00 0.00 -0.02 -1.26 -3.65 135.00 135.82 2jrr n PRO 44 Ca -0.12 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 2jrr n PRO 44 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2jrr n PRO 44 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2jrr n TYR 45 N -1.20 0.00 0.00 6.00 4.01 -1.26 -5.02 117.16 119.70 2jrr n TYR 45 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2jrr n TYR 45 Cb 0.06 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 2jrr n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jrr n ASP 47 N 0.00 0.00 -3.02 0.00 -0.08 -1.26 -3.92 116.55 108.26 2jrr n ASP 47 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2jrr n ASP 47 Cb 0.00 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.48 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jrr s LYS 49 N -2.39 3.22 -0.55 0.00 2.20 0.10 -2.46 119.74 119.85 2jrr s LYS 49 Ca 0.16 -0.82 -0.24 0.00 -0.36 0.00 0.00 55.97 54.70 2jrr s LYS 49 Cb -0.05 -3.73 0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2jrr s LYS 49 CO 0.11 -0.53 0.96 0.71 -0.36 0.00 0.00 175.35 176.23 2jrr s TYR 50 N 1.64 2.78 -0.03 4.03 2.02 0.79 -1.33 117.35 127.25 2jrr s TYR 50 Ca 0.05 0.01 -0.21 0.00 -0.37 0.00 0.00 57.07 56.54 2jrr s TYR 50 Cb -0.18 -4.11 -0.05 0.00 -0.40 0.00 0.00 41.96 37.22 2jrr s TYR 50 CO 0.08 -1.37 0.62 0.08 -1.57 0.00 0.00 175.55 173.39 2jrr s VAL 51 N 4.03 4.96 -0.17 0.71 1.01 0.91 -1.22 120.40 130.63 2jrr s VAL 51 Ca 0.31 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.48 2jrr s VAL 51 Cb -0.12 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2jrr s VAL 51 CO 0.20 0.36 0.18 -0.22 0.00 0.00 0.00 175.10 175.62 2jrr s LEU 52 N 0.18 4.25 0.35 3.92 2.96 -0.61 -0.33 118.68 129.41 2jrr s LEU 52 Ca 0.33 0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 2jrr s LEU 52 Cb -0.18 -2.18 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 2jrr s LEU 52 CO 0.17 0.20 1.26 -0.75 -1.32 0.00 0.00 176.35 175.91 2jrr s LYS 53 N 0.15 4.25 -0.07 1.98 2.20 -0.43 -2.91 119.74 124.91 2jrr s LYS 53 Ca 0.12 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 2jrr s LYS 53 Cb -0.12 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 2jrr s LYS 53 CO 0.01 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.18 2jrr n GLY 54 N 0.79 0.33 0.44 5.54 0.00 -1.26 -4.96 105.19 106.06 2jrr n GLY 54 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 2jrr n GLY 54 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jrr n SER 55 N -0.40 0.21 -0.25 1.61 2.88 -1.15 -4.92 113.62 111.59 2jrr n SER 55 Ca -0.01 -1.16 0.03 0.00 -1.33 0.00 0.00 58.87 56.41 2jrr n SER 55 Cb 0.24 -0.06 0.16 0.00 -0.75 0.00 0.00 64.21 63.80 2jrr n SER 55 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2jrr h LYS 56 N 0.00 0.53 -0.02 -1.46 1.63 -1.79 -1.20 116.57 114.26 2jrr h LYS 56 Ca -0.03 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2jrr h LYS 56 Cb 0.14 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2jrr h LYS 56 CO 0.04 0.35 0.00 0.00 -3.45 0.00 0.00 179.45 176.40 2jrr n ALA 57 N -2.44 2.62 0.08 5.00 0.00 -1.26 -3.78 120.51 120.73 2jrr n ALA 57 Ca 0.13 -0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.18 2jrr n ALA 57 Cb 0.34 -1.33 -0.08 0.00 0.00 0.00 0.00 19.45 18.37 2jrr n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2jrr h ASP 58 N 0.52 0.59 -0.04 0.00 3.58 -1.44 -3.34 116.42 116.30 2jrr h ASP 58 Ca 0.00 -0.52 -0.22 0.00 0.42 0.00 0.00 57.03 56.72 2jrr h ASP 58 Cb 0.11 -0.18 -0.07 0.00 1.72 0.00 0.00 39.33 40.91 2jrr h ASP 58 CO 0.00 1.33 -0.22 0.00 -2.88 0.00 0.00 179.24 177.48 2jrr n ALA 59 N -2.57 6.42 -1.74 -0.78 0.00 -1.25 -4.93 120.51 115.67 2jrr n ALA 59 Ca -0.08 -1.93 -0.32 0.00 0.00 0.00 0.00 53.44 51.10 2jrr n ALA 59 Cb 0.90 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.00 2jrr n ALA 59 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2jrr s LEU 60 N -0.07 3.49 -1.37 0.00 0.05 -1.25 -3.89 118.68 115.63 2jrr s LEU 60 Ca 0.67 1.67 -0.06 0.00 0.05 0.00 0.00 54.13 56.45 2jrr s LEU 60 Cb 0.32 -4.51 0.04 0.00 -2.05 0.00 0.00 46.19 39.98 2jrr s LEU 60 CO -0.01 -0.95 0.47 -0.62 -0.55 0.00 0.00 176.35 174.69 2jrr n GLU 61 N -2.03 -3.81 0.00 1.48 1.02 -1.26 -4.83 120.64 111.21 2jrr n GLU 61 Ca 0.08 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 2jrr n GLU 61 Cb 0.53 -5.42 0.00 0.00 -0.02 0.00 0.00 31.44 26.54 2jrr n GLU 61 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jrr n HIS 62 N -4.10 0.00 -1.36 -0.32 -0.00 -1.25 -4.82 115.22 103.37 2jrr n HIS 62 Ca -0.07 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 57.99 2jrr n HIS 62 Cb 0.58 -0.02 -0.05 0.00 -0.12 0.00 0.00 29.99 30.38 2jrr n HIS 62 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jrr n HIS 63 N -0.39 0.00 -3.56 1.57 -0.00 -1.26 -4.98 115.22 106.59 2jrr n HIS 63 Ca 0.00 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 2jrr n HIS 63 Cb 0.04 -2.40 -0.09 0.00 -0.12 0.00 0.00 29.99 27.42 2jrr n HIS 63 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jrr s HIS 64 N -2.34 3.31 0.87 1.57 5.65 -1.26 -5.09 115.29 118.00 2jrr s HIS 64 Ca 0.00 0.32 -0.13 0.00 0.25 0.00 0.00 55.06 55.50 2jrr s HIS 64 Cb 0.00 -2.37 0.12 0.00 -1.18 0.00 0.00 32.58 29.15 2jrr s HIS 64 CO 0.00 -0.01 1.20 -1.01 -0.65 0.00 0.00 174.74 174.27 2jrr s HIS 65 N 1.30 2.52 0.00 3.88 0.09 -1.26 -5.02 115.29 116.79 2jrr s HIS 65 Ca 0.11 0.67 0.00 0.00 -0.00 0.00 0.00 55.06 55.84 2jrr s HIS 65 Cb -0.14 -3.61 0.00 0.00 -0.00 0.00 0.00 32.58 28.83 2jrr s HIS 65 CO 0.07 -2.13 0.75 -2.39 -0.00 0.00 0.00 174.74 171.04 2jrr n HIS 66 N -3.54 0.00 1.04 1.40 1.44 -1.26 -5.23 115.22 109.08 2jrr n HIS 66 Ca 0.09 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 2jrr n HIS 66 Cb 0.60 0.07 0.14 0.00 0.12 0.00 0.00 29.99 30.92 2jrr n HIS 66 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11