#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrr n THR 2 N 0.00 0.00 -0.92 3.17 -1.04 -1.26 -1.64 114.28 112.59 2jrr n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jrr n THR 2 Cb 0.00 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 2jrr n THR 2 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2jrr n ILE 3 N -1.92 0.00 0.00 12.58 5.41 -1.26 -4.39 119.36 129.78 2jrr n ILE 3 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2jrr n ILE 3 Cb 0.49 -0.82 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 2jrr n ILE 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jrr n GLN 4 N 0.14 0.00 -2.38 0.38 6.02 -0.65 -4.77 117.38 116.11 2jrr n GLN 4 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2jrr n GLN 4 Cb 0.37 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.63 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 0.14 -3.10 -1.22 -1.58 0.00 -1.26 -4.86 120.51 108.63 2jrr n ALA 5 Ca 0.00 0.68 -0.43 0.00 0.00 0.00 0.00 53.44 53.69 2jrr n ALA 5 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.33 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 -0.14 1.69 -2.01 0.00 -0.04 -1.26 -4.93 135.00 128.31 2jrr n PRO 6 Ca 0.06 -1.94 -0.42 0.00 -0.04 0.00 0.00 63.50 61.15 2jrr n PRO 6 Cb 0.23 -2.96 -0.03 0.00 -0.04 0.00 0.00 33.50 30.70 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 4.73 4.00 -0.22 0.54 2.12 -1.26 -4.91 118.70 123.70 2jrr s GLU 7 Ca 0.56 2.03 -0.12 0.00 0.36 0.00 0.00 54.97 57.79 2jrr s GLU 7 Cb 0.14 -4.03 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 2jrr s GLU 7 CO 0.09 -1.05 0.24 0.99 -0.54 0.00 0.00 175.26 174.98 2jrr s THR 8 N 4.64 5.31 -0.25 -1.70 2.01 -1.26 -1.11 115.64 123.28 2jrr s THR 8 Ca 0.75 0.37 0.02 0.00 0.31 0.00 0.00 61.69 63.14 2jrr s THR 8 Cb -0.31 -3.58 0.06 0.00 0.01 0.00 0.00 72.50 68.68 2jrr s THR 8 CO 0.30 0.33 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.71 2jrr s LYS 9 N 1.04 2.09 -0.59 4.92 2.47 0.58 -4.97 119.74 125.29 2jrr s LYS 9 Ca 0.12 -1.20 -0.28 0.00 -1.56 0.00 0.00 55.97 53.05 2jrr s LYS 9 Cb -0.14 -2.76 0.02 0.00 -1.46 0.00 0.00 37.83 33.49 2jrr s LYS 9 CO 0.05 -0.55 1.38 0.42 0.16 0.00 0.00 175.35 176.80 2jrr s ILE 10 N 1.21 3.80 0.26 5.43 1.01 -1.26 -0.71 121.20 130.93 2jrr s ILE 10 Ca -0.07 0.66 -0.02 0.00 0.00 0.00 0.00 60.65 61.22 2jrr s ILE 10 Cb -0.19 -4.53 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 2jrr s ILE 10 CO -0.06 -1.28 0.47 0.68 0.00 0.00 0.00 174.94 174.75 2jrr s VAL 11 N 5.94 5.13 0.02 2.92 -7.23 0.14 -4.89 120.40 122.43 2jrr s VAL 11 Ca 0.49 -0.27 -0.08 0.00 -1.81 0.00 0.00 61.98 60.31 2jrr s VAL 11 Cb -0.10 -3.76 -0.30 0.00 0.56 0.00 0.00 36.38 32.78 2jrr s VAL 11 CO 0.24 -0.29 0.95 -0.78 -0.31 0.00 0.00 175.10 174.90 2jrr h ASP 12 N 1.65 0.54 -1.81 4.85 3.58 -1.95 0.55 116.42 123.84 2jrr h ASP 12 Ca -0.48 -0.66 -0.61 0.00 0.42 0.00 0.00 57.03 55.69 2jrr h ASP 12 Cb 1.20 -0.18 -0.13 0.00 1.72 0.00 0.00 39.33 41.94 2jrr h ASP 12 CO 0.66 1.53 -0.63 -0.54 -2.88 0.00 0.00 179.24 177.38 2jrr s LYS 13 N -2.62 1.94 0.26 0.28 -0.14 -1.26 -4.53 119.74 113.67 2jrr s LYS 13 Ca -0.08 -1.97 0.02 0.00 -1.36 0.00 0.00 55.97 52.58 2jrr s LYS 13 Cb 0.06 -1.74 0.33 0.00 -1.68 0.00 0.00 37.83 34.81 2jrr s LYS 13 CO 0.89 0.05 1.66 0.77 -0.76 0.00 0.00 175.35 177.96 2jrr h SER 14 N 1.85 0.48 -2.98 2.83 0.02 -1.92 -3.43 113.55 110.40 2jrr h SER 14 Ca -0.43 -0.19 -0.63 0.00 -0.84 0.00 0.00 61.79 59.70 2jrr h SER 14 Cb 1.25 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.57 2jrr h SER 14 CO 0.74 0.80 -0.43 0.00 -1.14 0.00 0.00 176.83 176.80 2jrr s ARG 15 N -4.31 3.85 -0.10 3.45 1.70 -1.26 -0.74 118.95 121.55 2jrr s ARG 15 Ca -0.07 -0.06 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 2jrr s ARG 15 Cb 0.13 -3.30 0.02 0.00 -0.57 0.00 0.00 34.95 31.23 2jrr s ARG 15 CO 0.80 0.54 -0.09 0.08 -1.08 0.00 0.00 175.30 175.55 2jrr s VAL 16 N -0.37 1.05 -0.84 4.99 1.01 -0.17 -4.95 120.40 121.12 2jrr s VAL 16 Ca 0.14 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.53 2jrr s VAL 16 Cb -0.12 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.22 2jrr s VAL 16 CO 0.03 0.36 1.65 0.00 0.00 0.00 0.00 175.10 177.15 2jrr s ALA 17 N 1.40 2.29 -1.26 5.51 0.00 -1.26 -1.11 121.76 127.32 2jrr s ALA 17 Ca -0.01 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 2jrr s ALA 17 Cb -0.13 -4.44 0.16 0.00 0.00 0.00 0.00 23.12 18.71 2jrr s ALA 17 CO -0.05 -3.98 2.25 0.00 0.00 0.00 0.00 175.76 173.98 2jrr h ASP 19 N 4.57 -1.02 0.00 0.00 5.19 -1.88 -3.43 116.42 119.85 2jrr h ASP 19 Ca 0.66 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 57.15 2jrr h ASP 19 Cb 0.32 0.33 0.00 0.00 0.18 0.00 0.00 39.33 40.16 2jrr h ASP 19 CO 1.42 -0.51 0.00 0.61 -3.12 0.00 0.00 179.24 177.65 2jrr n GLY 20 N -1.43 -0.50 0.00 2.75 0.00 -1.26 0.13 105.19 104.88 2jrr n GLY 20 Ca -0.09 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 1.91 3.73 -0.02 0.00 -1.26 -4.86 105.19 104.68 2jrr n GLY 21 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.02 2.05 0.20 1.61 0.41 -1.26 -4.79 118.70 116.93 2jrr s GLU 22 Ca 0.00 1.54 -0.21 0.00 -0.41 0.00 0.00 54.97 55.89 2jrr s GLU 22 Cb 0.00 -1.84 0.14 0.00 -1.78 0.00 0.00 34.13 30.65 2jrr s GLU 22 CO 0.00 -1.86 1.57 0.78 -0.49 0.00 0.00 175.26 175.26 2jrr h GLY 23 N -0.71 -0.12 2.00 -1.39 0.00 -1.98 0.20 103.07 101.06 2jrr h GLY 23 Ca -0.46 0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 2jrr h GLY 23 CO 0.49 -0.19 -0.09 0.00 0.00 0.00 0.00 176.54 176.75 2jrr h ALA 24 N 1.04 1.13 -0.03 3.60 0.00 -2.02 -2.30 119.26 120.69 2jrr h ALA 24 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2jrr h ALA 24 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jrr h ALA 24 CO -0.78 0.11 0.00 1.28 0.00 0.00 0.00 179.25 179.86 2jrr n LEU 25 N -3.38 1.10 -4.89 0.00 4.77 0.63 -4.92 117.00 110.31 2jrr n LEU 25 Ca -0.01 -0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 55.29 2jrr n LEU 25 Cb 0.26 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 2jrr n LEU 25 CO 0.28 0.19 0.65 -0.83 -1.33 0.00 0.00 177.39 176.36 2jrr s GLY 26 N -1.93 1.61 0.34 -0.72 0.00 -0.84 -4.21 107.32 101.58 2jrr s GLY 26 Ca 0.39 -0.36 0.06 0.00 0.00 0.00 0.00 44.72 44.81 2jrr s GLY 26 CO 0.33 -0.07 0.48 0.30 0.00 0.00 0.00 173.10 174.14 2jrr s HIS 27 N -3.15 3.13 0.07 1.90 3.76 0.12 -4.90 115.29 116.22 2jrr s HIS 27 Ca 0.55 -0.18 -0.14 0.00 -0.15 0.00 0.00 55.06 55.14 2jrr s HIS 27 Cb -0.11 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 2jrr s HIS 27 CO 0.50 -0.02 1.18 -2.30 -0.85 0.00 0.00 174.74 173.25 2jrr n PRO 28 N -1.67 -0.19 0.00 8.40 -0.02 -1.26 -4.70 135.00 135.55 2jrr n PRO 28 Ca -0.00 1.17 0.00 0.00 -2.02 0.00 0.00 63.50 62.65 2jrr n PRO 28 Cb 0.58 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2jrr n PRO 28 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2jrr n ARG 29 N -3.99 0.00 -4.06 -0.52 3.00 -1.26 -5.07 116.66 104.76 2jrr n ARG 29 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.51 2jrr n ARG 29 Cb 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.43 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 0.00 3.23 -0.32 5.15 -7.23 -1.26 -5.07 120.40 114.90 2jrr s VAL 30 Ca 0.00 -0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 59.54 2jrr s VAL 30 Cb 0.00 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.51 2jrr s VAL 30 CO 0.00 0.45 0.13 0.26 -0.31 0.00 0.00 175.10 175.63 2jrr s TRP 31 N 1.27 3.19 0.21 2.82 0.52 -1.26 -0.99 118.94 124.71 2jrr s TRP 31 Ca 0.03 -0.93 -0.19 0.00 0.02 0.00 0.00 56.10 55.04 2jrr s TRP 31 Cb -0.14 -2.33 -0.08 0.00 -1.15 0.00 0.00 33.47 29.77 2jrr s TRP 31 CO -0.03 -0.58 0.70 -0.51 0.02 0.00 0.00 176.95 176.55 2jrr s LEU 32 N 1.53 4.33 -0.23 2.99 1.02 -0.27 -4.84 118.68 123.21 2jrr s LEU 32 Ca 0.02 1.36 -0.01 0.00 0.02 0.00 0.00 54.13 55.53 2jrr s LEU 32 Cb -0.18 -3.55 0.02 0.00 0.02 0.00 0.00 46.19 42.50 2jrr s LEU 32 CO 0.04 0.04 -0.09 -1.58 0.02 0.00 0.00 176.35 174.79 2jrr s GLN 33 N -2.00 2.90 -0.04 1.70 2.00 -1.26 -1.00 119.66 121.95 2jrr s GLN 33 Ca 0.42 -0.93 -0.30 0.00 -2.00 0.00 0.00 55.36 52.56 2jrr s GLN 33 Cb -0.16 -2.91 -0.03 0.00 0.80 0.00 0.00 33.01 30.71 2jrr s GLN 33 CO 0.21 -0.35 1.15 0.42 -0.50 0.00 0.00 175.29 176.21 2jrr s ILE 34 N 1.33 4.37 -0.02 -2.34 1.01 0.08 -4.94 121.20 120.68 2jrr s ILE 34 Ca 0.01 1.69 -0.23 0.00 0.00 0.00 0.00 60.65 62.12 2jrr s ILE 34 Cb -0.16 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 2jrr s ILE 34 CO -0.06 0.03 0.69 -2.16 0.00 0.00 0.00 174.94 173.44 2jrr s PRO 35 N 1.90 4.42 0.49 2.79 0.04 -1.26 -4.94 135.00 138.44 2jrr s PRO 35 Ca 0.55 0.88 0.24 0.00 0.04 0.00 0.00 61.00 62.71 2jrr s PRO 35 Cb -0.24 -3.40 1.26 0.00 0.04 0.00 0.00 34.50 32.16 2jrr s PRO 35 CO 0.23 0.20 2.00 0.93 0.04 0.00 0.00 177.00 180.40 2jrr h GLU 36 N 6.19 0.00 0.20 4.56 5.08 -1.94 0.22 114.58 128.89 2jrr h GLU 36 Ca -0.43 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2jrr h GLU 36 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 2jrr h GLU 36 CO 0.73 0.17 -0.36 -0.44 -1.00 0.00 0.00 179.01 178.11 2jrr h ASP 37 N 0.00 -1.02 0.01 1.42 5.19 -1.98 -3.13 116.42 116.91 2jrr h ASP 37 Ca -0.00 0.11 -0.06 0.00 -0.62 0.00 0.00 57.03 56.45 2jrr h ASP 37 Cb 0.43 0.37 0.01 0.00 0.18 0.00 0.00 39.33 40.32 2jrr h ASP 37 CO 0.02 -0.46 -0.24 0.71 -3.12 0.00 0.00 179.24 176.15 2jrr h THR 38 N -0.64 1.57 0.00 0.35 1.35 -1.97 -3.48 112.91 110.08 2jrr h THR 38 Ca 0.01 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.88 2jrr h THR 38 Cb 0.64 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 2jrr h THR 38 CO -0.16 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 2jrr n GLY 39 N 1.11 0.59 3.70 5.82 0.00 0.77 -4.64 105.19 112.55 2jrr n GLY 39 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.08 -0.26 -0.03 1.61 1.48 -1.25 -2.21 118.94 116.21 2jrr s TRP 40 Ca 0.00 -0.12 0.01 0.00 -1.06 0.00 0.00 56.10 54.93 2jrr s TRP 40 Cb 0.00 0.62 0.02 0.00 -1.16 0.00 0.00 33.47 32.95 2jrr s TRP 40 CO 0.00 -1.10 -0.04 0.54 -4.06 0.00 0.00 176.95 172.29 2jrr s VAL 41 N -3.87 0.44 -0.40 -0.66 0.11 -0.23 -4.43 120.40 111.35 2jrr s VAL 41 Ca 0.09 -0.12 -0.20 0.00 -2.93 0.00 0.00 61.98 58.82 2jrr s VAL 41 Cb -0.04 -0.45 0.01 0.00 -1.53 0.00 0.00 36.38 34.37 2jrr s VAL 41 CO 0.01 0.18 0.61 -1.83 -3.33 0.00 0.00 175.10 170.74 2jrr s GLU 42 N 0.63 3.44 -0.35 1.54 -1.05 -1.26 -0.87 118.70 120.77 2jrr s GLU 42 Ca -0.08 -0.23 -0.29 0.00 -0.15 0.00 0.00 54.97 54.22 2jrr s GLU 42 Cb -0.11 -3.89 -0.01 0.00 -0.44 0.00 0.00 34.13 29.68 2jrr s GLU 42 CO -0.00 -0.87 1.61 0.00 0.95 0.00 0.00 175.26 176.94 2jrr n PRO 44 N 8.18 0.05 0.04 0.00 -0.02 -1.26 -0.16 135.00 141.83 2jrr n PRO 44 Ca 0.20 0.26 -0.22 0.00 -2.02 0.00 0.00 63.50 61.72 2jrr n PRO 44 Cb 0.47 -1.60 -0.14 0.00 -0.02 0.00 0.00 33.50 32.21 2jrr n PRO 44 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 2jrr h TYR 45 N 0.00 0.56 0.00 6.00 0.05 -1.94 -3.41 116.97 118.24 2jrr h TYR 45 Ca 0.00 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.37 2jrr h TYR 45 Cb 0.32 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.04 2jrr h TYR 45 CO 0.00 1.55 0.00 0.00 -1.05 0.00 0.00 178.16 178.66 2jrr n ASP 47 N -0.16 -7.64 -3.70 0.00 9.92 0.77 -5.04 116.55 110.69 2jrr n ASP 47 Ca 0.00 0.35 -0.14 0.00 -0.53 0.00 0.00 54.79 54.47 2jrr n ASP 47 Cb 0.35 -4.96 -0.08 0.00 -0.64 0.00 0.00 41.12 35.79 2jrr n ASP 47 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jrr s LYS 49 N -0.88 2.99 -0.41 0.00 2.20 -0.27 -0.54 119.74 122.84 2jrr s LYS 49 Ca -0.09 -1.23 -0.20 0.00 -0.36 0.00 0.00 55.97 54.08 2jrr s LYS 49 Cb -0.04 -4.09 0.02 0.00 -1.51 0.00 0.00 37.83 32.21 2jrr s LYS 49 CO 0.04 -0.97 0.63 0.71 -0.36 0.00 0.00 175.35 175.41 2jrr s TYR 50 N 1.71 3.10 -0.12 4.03 2.02 -0.05 -0.31 117.35 127.73 2jrr s TYR 50 Ca 0.05 0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 2jrr s TYR 50 Cb -0.23 -3.25 -0.05 0.00 -0.40 0.00 0.00 41.96 38.03 2jrr s TYR 50 CO 0.08 -0.78 0.24 0.08 -1.57 0.00 0.00 175.55 173.60 2jrr s VAL 51 N 2.75 5.34 0.07 0.71 1.01 0.11 -1.07 120.40 129.31 2jrr s VAL 51 Ca 0.23 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.34 2jrr s VAL 51 Cb -0.14 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 2jrr s VAL 51 CO 0.17 0.52 1.14 -0.22 0.00 0.00 0.00 175.10 176.71 2jrr s LEU 52 N -0.39 4.39 -0.45 3.92 2.96 -0.94 -0.69 118.68 127.48 2jrr s LEU 52 Ca 0.16 1.97 -0.27 0.00 -0.22 0.00 0.00 54.13 55.77 2jrr s LEU 52 Cb -0.13 -3.58 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 2jrr s LEU 52 CO 0.05 -0.39 2.38 1.17 -1.32 0.00 0.00 176.35 178.24 2jrr n LYS 53 N 3.67 1.20 0.00 1.98 4.81 0.18 -0.77 118.16 129.23 2jrr n LYS 53 Ca 0.07 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2jrr n LYS 53 Cb 0.47 -3.30 0.00 0.00 0.02 0.00 0.00 35.03 32.22 2jrr n LYS 53 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jrr n GLY 54 N 6.00 1.21 3.75 3.14 0.00 -1.26 -5.00 105.19 113.02 2jrr n GLY 54 Ca 0.37 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 2jrr n GLY 54 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jrr s SER 55 N -1.52 4.98 0.00 1.61 0.15 0.05 -4.92 113.70 114.05 2jrr s SER 55 Ca 0.00 2.29 0.17 0.00 0.70 0.00 0.00 55.95 59.11 2jrr s SER 55 Cb 0.00 -2.59 0.81 0.00 -1.71 0.00 0.00 66.02 62.54 2jrr s SER 55 CO 0.00 -1.73 1.52 2.29 1.20 0.00 0.00 173.24 176.52 2jrr n LYS 56 N -1.99 0.15 0.17 5.44 -0.00 -1.26 -1.45 118.16 119.23 2jrr n LYS 56 Ca 0.13 0.16 0.04 0.00 -0.00 0.00 0.00 58.31 58.63 2jrr n LYS 56 Cb 0.50 -1.50 0.29 0.00 -0.00 0.00 0.00 35.03 34.32 2jrr n LYS 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jrr h ALA 57 N 2.72 1.00 -4.33 0.58 0.00 -1.86 -3.45 119.26 113.92 2jrr h ALA 57 Ca 0.00 -0.41 -0.35 0.00 0.00 0.00 0.00 54.91 54.15 2jrr h ALA 57 Cb 0.21 -0.07 0.11 0.00 0.00 0.00 0.00 17.79 18.04 2jrr h ALA 57 CO 0.00 0.56 0.23 -3.47 0.00 0.00 0.00 179.25 176.57 2jrr n ASP 58 N -3.62 0.51 -2.88 0.00 2.03 -0.53 -4.80 116.55 107.26 2jrr n ASP 58 Ca -0.01 -1.61 -0.08 0.00 0.52 0.00 0.00 54.79 53.61 2jrr n ASP 58 Cb 0.54 -0.68 0.01 0.00 -0.72 0.00 0.00 41.12 40.27 2jrr n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jrr n ALA 59 N -3.35 -2.97 1.93 -1.67 0.00 -1.26 -4.88 120.51 108.31 2jrr n ALA 59 Ca -0.15 1.10 0.11 0.00 0.00 0.00 0.00 53.44 54.49 2jrr n ALA 59 Cb 0.46 -3.64 0.64 0.00 0.00 0.00 0.00 19.45 16.91 2jrr n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2jrr n LEU 60 N -0.38 0.00 -4.55 0.00 4.32 -1.26 -4.69 117.00 110.43 2jrr n LEU 60 Ca 0.11 0.00 -0.40 0.00 -0.02 0.00 0.00 56.01 55.70 2jrr n LEU 60 Cb 0.47 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.24 2jrr n LEU 60 CO 0.49 0.00 1.35 -0.70 -1.22 0.00 0.00 177.39 177.31 2jrr s GLU 61 N -2.00 2.98 0.00 3.23 -6.30 -1.26 -4.85 118.70 110.50 2jrr s GLU 61 Ca 0.32 0.02 0.19 0.00 -2.50 0.00 0.00 54.97 53.00 2jrr s GLU 61 Cb 0.15 -4.35 0.53 0.00 0.00 0.00 0.00 34.13 30.46 2jrr s GLU 61 CO 0.25 -2.41 1.44 0.72 0.02 0.00 0.00 175.26 175.28 2jrr n HIS 62 N 10.73 0.74 0.42 5.30 8.25 -1.26 -3.88 115.22 135.52 2jrr n HIS 62 Ca 0.12 -0.37 0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2jrr n HIS 62 Cb 0.50 0.00 0.50 0.00 1.12 0.00 0.00 29.99 32.11 2jrr n HIS 62 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jrr h HIS 63 N 3.51 0.00 -1.51 4.41 6.17 -1.97 -3.40 115.15 122.36 2jrr h HIS 63 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 60.37 60.66 2jrr h HIS 63 Cb 0.80 0.00 -0.04 0.00 2.52 0.00 0.00 27.41 30.69 2jrr h HIS 63 CO 0.37 0.00 1.13 -1.01 0.71 0.00 0.00 177.93 179.13 2jrr s HIS 64 N -3.32 1.70 -0.09 5.26 3.76 -1.25 -4.81 115.29 116.53 2jrr s HIS 64 Ca 0.05 0.75 -0.05 0.00 -0.15 0.00 0.00 55.06 55.66 2jrr s HIS 64 Cb 0.10 -4.06 -0.02 0.00 1.11 0.00 0.00 32.58 29.71 2jrr s HIS 64 CO 0.44 -2.11 -0.10 0.45 -0.85 0.00 0.00 174.74 172.58 2jrr h HIS 65 N 13.71 0.00 0.00 1.40 3.86 -1.95 -3.43 115.15 128.74 2jrr h HIS 65 Ca -0.13 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 2jrr h HIS 65 Cb 1.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 2jrr h HIS 65 CO 1.11 0.00 -0.24 -2.39 0.86 0.00 0.00 177.93 177.27 2jrr n HIS 66 N -3.88 0.00 -0.52 2.45 1.44 -1.26 -5.25 115.22 108.20 2jrr n HIS 66 Ca -0.04 -0.83 0.00 0.00 -2.01 0.00 0.00 57.72 54.84 2jrr n HIS 66 Cb 0.15 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2jrr n HIS 66 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11