#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrl n LYS 2 N 0.00 3.52 -2.83 2.12 4.76 -1.26 -4.75 118.16 119.71 2jrl n LYS 2 Ca 0.00 -3.79 -0.40 0.00 -2.87 0.00 0.00 58.31 51.25 2jrl n LYS 2 Cb 0.00 -2.33 -0.06 0.00 -1.84 0.00 0.00 35.03 30.80 2jrl n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2jrl s ARG 3 N -4.02 4.74 -0.10 1.97 0.52 -1.26 -1.63 118.95 119.17 2jrl s ARG 3 Ca 0.49 1.36 -0.08 0.00 -0.52 0.00 0.00 55.73 56.98 2jrl s ARG 3 Cb 0.36 -3.25 0.03 0.00 0.52 0.00 0.00 34.95 32.61 2jrl s ARG 3 CO -0.33 0.53 0.25 0.08 0.02 0.00 0.00 175.30 175.85 2jrl s VAL 4 N -1.19 -0.00 -0.27 3.52 1.01 -0.67 -3.57 120.40 119.23 2jrl s VAL 4 Ca 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 2jrl s VAL 4 Cb -0.25 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 35.82 2jrl s VAL 4 CO 0.30 0.01 -0.05 -0.22 0.00 0.00 0.00 175.10 175.13 2jrl s LEU 5 N 0.25 3.43 -0.42 3.92 2.96 -1.24 -1.80 118.68 125.78 2jrl s LEU 5 Ca -0.01 -1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 52.63 2jrl s LEU 5 Cb -0.03 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 45.03 2jrl s LEU 5 CO -0.01 -0.18 0.49 -0.69 -1.32 0.00 0.00 176.35 174.64 2jrl s VAL 6 N 1.26 5.02 -0.39 1.68 1.01 0.44 0.13 120.40 129.56 2jrl s VAL 6 Ca -0.03 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 2jrl s VAL 6 Cb -0.18 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2jrl s VAL 6 CO -0.04 -0.45 0.48 -0.69 0.00 0.00 0.00 175.10 174.40 2jrl s VAL 7 N 2.31 5.04 -0.29 2.92 1.01 0.18 -2.52 120.40 129.04 2jrl s VAL 7 Ca 0.15 -0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.00 2jrl s VAL 7 Cb -0.16 -4.01 0.11 0.00 0.00 0.00 0.00 36.38 32.32 2jrl s VAL 7 CO 0.15 -0.34 0.70 -0.62 0.00 0.00 0.00 175.10 174.99 2jrl s ASP 8 N 1.81 -1.01 0.00 3.32 2.15 -0.26 -2.66 116.67 120.01 2jrl s ASP 8 Ca 0.16 1.48 0.06 0.00 0.43 0.00 0.00 52.55 54.68 2jrl s ASP 8 Cb -0.16 1.88 0.36 0.00 -0.30 0.00 0.00 42.92 44.69 2jrl s ASP 8 CO 0.14 -0.22 0.77 -0.90 -0.17 0.00 0.00 175.17 174.80 2jrl n ASP 9 N 4.92 0.00 -4.16 -0.34 5.75 -1.25 -4.22 116.55 117.24 2jrl n ASP 9 Ca -0.15 -0.64 -0.39 0.00 -0.01 0.00 0.00 54.79 53.59 2jrl n ASP 9 Cb 0.53 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.56 2jrl n ASP 9 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2jrl s GLU 10 N -2.00 3.04 0.64 0.11 2.56 -1.26 -4.90 118.70 116.89 2jrl s GLU 10 Ca 0.09 -2.71 0.33 0.00 0.00 0.00 0.00 54.97 52.68 2jrl s GLU 10 Cb 0.04 -3.98 1.83 0.00 2.00 0.00 0.00 34.13 34.02 2jrl s GLU 10 CO 0.07 -1.22 2.08 1.49 -0.56 0.00 0.00 175.26 177.12 2jrl h GLU 11 N 6.96 0.00 -0.54 4.30 4.81 -1.99 -0.40 114.58 127.72 2jrl h GLU 11 Ca 0.06 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2jrl h GLU 11 Cb 0.94 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2jrl h GLU 11 CO 0.76 0.00 -0.02 1.03 -0.73 0.00 0.00 179.01 180.06 2jrl h SER 12 N 0.00 0.94 0.13 1.04 0.87 -1.94 -1.80 113.55 112.79 2jrl h SER 12 Ca 0.04 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 2jrl h SER 12 Cb 0.49 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jrl h SER 12 CO -0.00 1.03 -0.06 0.40 -0.53 0.00 0.00 176.83 177.67 2jrl h ILE 13 N 0.83 0.50 -1.04 2.23 1.08 -1.49 -3.28 117.51 116.34 2jrl h ILE 13 Ca 0.15 -1.15 0.27 0.00 -0.39 0.00 0.00 64.86 63.73 2jrl h ILE 13 Cb 0.56 0.89 -0.09 0.00 -3.07 0.00 0.00 36.82 35.11 2jrl h ILE 13 CO 0.03 0.15 0.67 0.71 -0.69 0.00 0.00 178.15 179.03 2jrl h THR 14 N -0.99 0.53 -0.89 -0.27 1.35 -1.55 0.32 112.91 111.40 2jrl h THR 14 Ca -0.02 -0.13 0.03 0.00 -0.55 0.00 0.00 66.41 65.75 2jrl h THR 14 Cb 0.38 0.12 -0.05 0.00 -1.73 0.00 0.00 68.15 66.87 2jrl h THR 14 CO 0.03 0.07 0.59 -1.28 -0.25 0.00 0.00 175.52 174.68 2jrl h SER 15 N 0.37 0.98 0.03 5.36 0.87 -1.41 0.26 113.55 120.02 2jrl h SER 15 Ca 0.58 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 61.13 2jrl h SER 15 Cb 1.53 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2jrl h SER 15 CO -0.27 0.68 -0.02 0.28 -0.53 0.00 0.00 176.83 176.97 2jrl h SER 16 N 1.14 -0.04 -0.11 6.23 0.02 -0.48 -3.14 113.55 117.18 2jrl h SER 16 Ca 0.35 -0.54 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2jrl h SER 16 Cb -0.01 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jrl h SER 16 CO -0.10 0.70 0.13 -0.07 -1.14 0.00 0.00 176.83 176.35 2jrl h LEU 17 N -0.96 0.00 -0.47 5.07 4.07 -1.14 0.54 115.31 122.42 2jrl h LEU 17 Ca -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.80 2jrl h LEU 17 Cb 0.58 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 2jrl h LEU 17 CO 0.01 0.00 -0.75 0.77 -1.08 0.00 0.00 178.44 177.39 2jrl h SER 18 N 0.00 0.00 -0.22 -0.43 4.64 -0.54 -2.43 113.55 114.57 2jrl h SER 18 Ca 0.05 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.29 2jrl h SER 18 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2jrl h SER 18 CO -0.00 0.75 -0.18 0.00 -0.87 0.00 0.00 176.83 176.52 2jrl h ALA 19 N 1.25 0.32 -0.16 5.18 0.00 -0.83 -1.61 119.26 123.41 2jrl h ALA 19 Ca -0.01 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.42 2jrl h ALA 19 Cb 1.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2jrl h ALA 19 CO 0.10 0.24 -0.49 0.82 0.00 0.00 0.00 179.25 179.91 2jrl h ILE 20 N 0.20 1.33 0.05 0.00 1.08 -1.55 -2.54 117.51 116.07 2jrl h ILE 20 Ca 0.04 -1.72 -0.00 0.00 -0.39 0.00 0.00 64.86 62.78 2jrl h ILE 20 Cb 0.72 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.22 2jrl h ILE 20 CO 0.05 0.53 -0.02 0.25 -0.69 0.00 0.00 178.15 178.26 2jrl h LEU 21 N 0.33 -0.06 -2.32 1.44 5.85 -1.41 -2.57 115.31 116.57 2jrl h LEU 21 Ca 0.02 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2jrl h LEU 21 Cb 0.99 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2jrl h LEU 21 CO 0.09 0.31 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.12 2jrl h GLU 22 N -0.43 0.00 -0.14 1.25 5.08 -1.31 -1.09 114.58 117.93 2jrl h GLU 22 Ca -0.01 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 2jrl h GLU 22 Cb 0.39 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2jrl h GLU 22 CO 0.01 0.04 -0.65 1.49 -1.00 0.00 0.00 179.01 178.91 2jrl h GLU 23 N 0.00 0.69 0.00 2.33 4.81 -1.23 -2.94 114.58 118.24 2jrl h GLU 23 Ca -0.00 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 2jrl h GLU 23 Cb 0.16 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.65 2jrl h GLU 23 CO 0.01 1.17 0.00 0.39 -0.73 0.00 0.00 179.01 179.84 2jrl n GLU 24 N -4.07 0.72 -0.04 1.92 4.71 -0.85 -4.81 120.64 118.21 2jrl n GLU 24 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.08 2jrl n GLU 24 Cb 0.68 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.66 2jrl n GLU 24 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jrl n GLY 25 N 0.41 0.59 3.80 0.62 0.00 -1.11 -5.06 105.19 104.44 2jrl n GLY 25 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 2jrl n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jrl s TYR 26 N -2.24 2.62 -0.57 1.61 2.02 -0.47 -4.82 117.35 115.50 2jrl s TYR 26 Ca 0.00 0.90 0.03 0.00 -0.37 0.00 0.00 57.07 57.63 2jrl s TYR 26 Cb 0.00 -3.35 0.14 0.00 -0.40 0.00 0.00 41.96 38.35 2jrl s TYR 26 CO 0.00 -2.19 0.33 -1.01 -1.57 0.00 0.00 175.55 171.11 2jrl s HIS 27 N -3.29 3.28 0.51 2.71 3.76 -0.65 -3.57 115.29 118.05 2jrl s HIS 27 Ca 0.63 -3.14 -0.21 0.00 -0.15 0.00 0.00 55.06 52.20 2jrl s HIS 27 Cb -0.14 -2.87 -0.06 0.00 1.11 0.00 0.00 32.58 30.62 2jrl s HIS 27 CO 0.53 -0.73 1.14 -1.25 -0.85 0.00 0.00 174.74 173.59 2jrl s PRO 28 N -0.46 3.50 0.14 8.40 0.04 -1.25 -1.68 135.00 143.70 2jrl s PRO 28 Ca 0.18 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.92 2jrl s PRO 28 Cb -0.22 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2jrl s PRO 28 CO -0.03 -0.74 -0.05 0.34 0.04 0.00 0.00 177.00 176.57 2jrl s ASP 29 N -1.62 1.34 0.03 6.66 2.15 -0.75 -4.92 116.67 119.57 2jrl s ASP 29 Ca 0.69 -1.08 0.06 0.00 0.43 0.00 0.00 52.55 52.65 2jrl s ASP 29 Cb -0.26 0.08 -0.02 0.00 -0.30 0.00 0.00 42.92 42.42 2jrl s ASP 29 CO 0.30 -0.48 -0.18 0.42 -0.17 0.00 0.00 175.17 175.06 2jrl s THR 30 N -3.56 1.40 -0.19 1.71 -4.23 -1.23 -0.42 115.64 109.12 2jrl s THR 30 Ca 0.18 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.59 2jrl s THR 30 Cb 0.05 -1.23 0.08 0.00 1.34 0.00 0.00 72.50 72.75 2jrl s THR 30 CO 0.00 0.17 0.40 0.00 -0.54 0.00 0.00 174.62 174.66 2jrl s ALA 31 N -0.73 -1.07 -0.96 3.99 0.00 -1.05 -4.94 121.76 117.00 2jrl s ALA 31 Ca 0.05 1.45 0.25 0.00 0.00 0.00 0.00 51.96 53.70 2jrl s ALA 31 Cb -0.08 -1.23 0.43 0.00 0.00 0.00 0.00 23.12 22.24 2jrl s ALA 31 CO 0.01 -0.67 1.36 0.36 0.00 0.00 0.00 175.76 176.82 2jrl n LYS 32 N 5.22 0.03 -3.86 0.00 0.00 -1.26 -1.11 118.16 117.18 2jrl n LYS 32 Ca -0.10 0.01 -0.12 0.00 -0.00 0.00 0.00 58.31 58.09 2jrl n LYS 32 Cb 0.50 -1.52 -0.14 0.00 -0.00 0.00 0.00 35.03 33.88 2jrl n LYS 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2jrl s THR 33 N -3.02 -0.00 0.01 0.58 -4.23 -1.26 -4.62 115.64 103.10 2jrl s THR 33 Ca 0.10 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.36 2jrl s THR 33 Cb 0.17 -0.03 -0.18 0.00 1.34 0.00 0.00 72.50 73.80 2jrl s THR 33 CO 0.72 0.00 1.35 -0.07 -0.54 0.00 0.00 174.62 176.08 2jrl h LEU 34 N 6.14 -0.13 -0.99 4.79 -0.00 -1.94 -2.92 115.31 120.26 2jrl h LEU 34 Ca -0.24 -0.28 0.36 0.00 -0.00 0.00 0.00 57.88 57.72 2jrl h LEU 34 Cb 1.21 0.03 -0.17 0.00 -0.00 0.00 0.00 40.66 41.73 2jrl h LEU 34 CO 0.50 0.22 0.45 0.08 -0.00 0.00 0.00 178.44 179.69 2jrl h ARG 35 N -0.49 0.10 -0.40 1.13 -0.00 -1.99 1.13 114.38 113.87 2jrl h ARG 35 Ca -0.02 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.98 59.81 2jrl h ARG 35 Cb 0.40 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 2jrl h ARG 35 CO 0.03 0.07 -0.34 1.49 -0.00 0.00 0.00 179.97 181.22 2jrl h GLU 36 N 0.10 0.91 0.00 0.08 4.57 -1.97 -2.63 114.58 115.64 2jrl h GLU 36 Ca 0.76 -0.45 -0.02 0.00 -1.18 0.00 0.00 59.36 58.47 2jrl h GLU 36 Cb 1.87 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.45 2jrl h GLU 36 CO -0.74 1.10 -0.12 0.00 -1.18 0.00 0.00 179.01 178.08 2jrl h ALA 37 N 0.85 1.00 0.01 2.92 0.00 0.13 -3.10 119.26 121.06 2jrl h ALA 37 Ca 0.07 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 2jrl h ALA 37 Cb 0.91 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.70 2jrl h ALA 37 CO 0.08 0.14 -0.76 0.93 0.00 0.00 0.00 179.25 179.65 2jrl h GLU 38 N 0.00 0.50 0.18 0.00 5.08 -0.19 -1.22 114.58 118.93 2jrl h GLU 38 Ca -0.00 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2jrl h GLU 38 Cb 0.70 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2jrl h GLU 38 CO 0.02 1.18 -0.13 0.87 -1.00 0.00 0.00 179.01 179.95 2jrl h LYS 39 N 0.05 -0.30 -0.13 2.33 1.79 -1.42 -2.56 116.57 116.33 2jrl h LYS 39 Ca -0.10 0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 2jrl h LYS 39 Cb 1.45 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.16 2jrl h LYS 39 CO 0.15 -0.20 -0.41 1.57 -1.08 0.00 0.00 179.45 179.48 2jrl h LYS 40 N -0.31 0.30 -0.53 3.15 2.10 -1.65 -2.67 116.57 116.96 2jrl h LYS 40 Ca -0.01 -0.15 0.09 0.00 -2.00 0.00 0.00 60.65 58.59 2jrl h LYS 40 Cb 0.27 -0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.52 2jrl h LYS 40 CO 0.00 0.67 0.10 0.82 -2.00 0.00 0.00 179.45 179.04 2jrl h ILE 41 N 0.25 0.68 -0.19 0.07 2.04 -0.87 0.17 117.51 119.67 2jrl h ILE 41 Ca 0.02 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2jrl h ILE 41 Cb 0.84 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2jrl h ILE 41 CO 0.07 0.04 0.00 0.29 0.00 0.00 0.00 178.15 178.55 2jrl n LYS 42 N -5.13 1.71 0.00 2.37 5.02 -0.99 -3.52 118.16 117.61 2jrl n LYS 42 Ca 0.07 -1.07 0.09 0.00 -2.02 0.00 0.00 58.31 55.37 2jrl n LYS 42 Cb 0.27 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 2jrl n LYS 42 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2jrl n GLU 43 N 0.31 1.56 -3.84 1.97 0.28 0.51 -5.01 120.64 116.41 2jrl n GLU 43 Ca 0.15 -0.99 -0.08 0.00 -0.16 0.00 0.00 57.16 56.08 2jrl n GLU 43 Cb 0.31 -1.34 -0.03 0.00 1.43 0.00 0.00 31.44 31.81 2jrl n GLU 43 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2jrl s LEU 44 N -2.08 -0.09 -0.25 -1.84 2.34 -0.62 -5.03 118.68 111.11 2jrl s LEU 44 Ca 0.16 -0.62 -0.09 0.00 0.06 0.00 0.00 54.13 53.64 2jrl s LEU 44 Cb 0.15 2.40 -0.04 0.00 -0.56 0.00 0.00 46.19 48.14 2jrl s LEU 44 CO 0.42 -1.23 0.13 0.12 -1.06 0.00 0.00 176.35 174.74 2jrl s PHE 45 N -3.92 3.22 -0.07 3.48 2.19 -1.26 -4.79 117.98 116.83 2jrl s PHE 45 Ca 0.13 0.02 0.03 0.00 0.33 0.00 0.00 56.93 57.44 2jrl s PHE 45 Cb -0.04 -2.27 0.01 0.00 -1.31 0.00 0.00 43.02 39.41 2jrl s PHE 45 CO 0.04 -0.09 -0.16 -0.59 1.83 0.00 0.00 175.22 176.26 2jrl s PHE 46 N 1.30 1.76 -0.02 10.12 -0.12 -1.26 -5.01 117.98 124.75 2jrl s PHE 46 Ca 0.06 -0.64 -0.23 0.00 -0.05 0.00 0.00 56.93 56.07 2jrl s PHE 46 Cb -0.14 -1.23 -0.17 0.00 -0.63 0.00 0.00 43.02 40.85 2jrl s PHE 46 CO 0.06 -0.29 1.08 -1.00 -0.05 0.00 0.00 175.22 175.02 2jrl h PRO 47 N 6.77 -0.27 -4.28 1.99 0.13 -1.86 -3.46 132.00 131.02 2jrl h PRO 47 Ca -0.28 0.02 -0.30 0.00 -0.87 0.00 0.00 66.00 64.56 2jrl h PRO 47 Cb 1.20 0.06 -0.27 0.00 0.13 0.00 0.00 31.00 32.12 2jrl h PRO 47 CO 0.47 0.12 -0.75 0.14 -0.23 0.00 0.00 178.00 177.76 2jrl s VAL 48 N -4.08 0.38 0.03 1.56 -7.23 -1.23 -3.15 120.40 106.68 2jrl s VAL 48 Ca -0.14 -0.35 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2jrl s VAL 48 Cb 0.01 -0.35 -0.02 0.00 0.56 0.00 0.00 36.38 36.58 2jrl s VAL 48 CO 0.53 0.01 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.60 2jrl s ILE 49 N -0.34 0.78 -0.17 -0.62 1.01 -0.65 -3.59 121.20 117.61 2jrl s ILE 49 Ca -0.01 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2jrl s ILE 49 Cb -0.03 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.69 2jrl s ILE 49 CO -0.00 -0.09 -0.11 -0.69 0.00 0.00 0.00 174.94 174.05 2jrl s VAL 50 N -0.85 3.02 -0.12 2.92 1.01 0.12 -0.71 120.40 125.79 2jrl s VAL 50 Ca -0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2jrl s VAL 50 Cb -0.07 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 34.04 2jrl s VAL 50 CO 0.01 0.49 0.05 -0.22 0.00 0.00 0.00 175.10 175.42 2jrl s LEU 51 N 0.89 0.56 0.99 3.92 2.96 -0.43 0.50 118.68 128.07 2jrl s LEU 51 Ca -0.03 -0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 53.38 2jrl s LEU 51 Cb -0.15 -0.35 0.18 0.00 0.50 0.00 0.00 46.19 46.37 2jrl s LEU 51 CO -0.00 -0.28 1.12 1.51 -1.32 0.00 0.00 176.35 177.38 2jrl s ASP 52 N 2.04 2.75 -0.12 3.68 1.47 -1.09 -3.50 116.67 121.90 2jrl s ASP 52 Ca 0.03 0.98 -0.24 0.00 1.18 0.00 0.00 52.55 54.50 2jrl s ASP 52 Cb -0.14 -1.53 -0.27 0.00 -0.34 0.00 0.00 42.92 40.64 2jrl s ASP 52 CO -0.06 -3.03 0.69 0.58 0.68 0.00 0.00 175.17 174.03 2jrl h VAL 53 N -1.82 1.47 -0.12 2.11 2.07 -0.49 -3.33 116.25 116.13 2jrl h VAL 53 Ca -0.52 -2.38 -0.02 0.00 0.82 0.00 0.00 66.70 64.60 2jrl h VAL 53 Cb 1.33 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 34.15 2jrl h VAL 53 CO 0.56 0.61 0.05 0.86 0.02 0.00 0.00 177.57 179.67 2jrl s TRP 54 N -2.34 1.20 0.03 1.57 -0.00 -1.26 -3.48 118.94 114.66 2jrl s TRP 54 Ca -0.19 2.34 0.07 0.00 -0.00 0.00 0.00 56.10 58.31 2jrl s TRP 54 Cb 0.01 -3.31 -0.03 0.00 -0.00 0.00 0.00 33.47 30.13 2jrl s TRP 54 CO 0.73 -0.68 -0.17 -1.64 -0.00 0.00 0.00 176.95 175.18 2jrl s MET 55 N 8.50 2.13 -0.02 5.86 -1.94 -1.26 -4.58 119.30 127.98 2jrl s MET 55 Ca 0.82 -0.95 -0.25 0.00 -1.71 0.00 0.00 55.69 53.60 2jrl s MET 55 Cb -0.05 -2.22 -0.20 0.00 2.01 0.00 0.00 34.83 34.37 2jrl s MET 55 CO 0.18 0.55 1.23 -1.00 -0.01 0.00 0.00 175.02 175.97 2jrl h PRO 56 N 4.56 -0.05 0.16 2.03 0.13 -1.89 -3.33 132.00 133.61 2jrl h PRO 56 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2jrl h PRO 56 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jrl h PRO 56 CO 0.48 0.42 -0.08 0.22 -0.23 0.00 0.00 178.00 178.81 2jrl h ASP 57 N -0.54 -0.18 -4.15 1.44 1.82 -1.97 -3.48 116.42 109.36 2jrl h ASP 57 Ca -0.01 -0.17 0.19 0.00 -0.39 0.00 0.00 57.03 56.65 2jrl h ASP 57 Cb 0.49 0.05 -0.20 0.00 0.68 0.00 0.00 39.33 40.35 2jrl h ASP 57 CO 0.01 0.07 0.71 -0.83 -1.61 0.00 0.00 179.24 177.59 2jrl s GLY 58 N -2.58 -0.27 0.93 -0.78 0.00 -1.25 -5.09 107.32 98.28 2jrl s GLY 58 Ca -0.15 1.73 -0.15 0.00 0.00 0.00 0.00 44.72 46.16 2jrl s GLY 58 CO 0.63 0.67 -0.07 1.22 0.00 0.00 0.00 173.10 175.55 2jrl n ASP 59 N 0.13 -3.57 0.00 1.64 8.00 -1.26 -4.40 116.55 117.09 2jrl n ASP 59 Ca -0.04 0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.66 2jrl n ASP 59 Cb 0.59 -1.02 -0.14 0.00 -0.02 0.00 0.00 41.12 40.53 2jrl n ASP 59 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2jrl h GLY 60 N -1.16 0.09 0.33 0.44 0.00 -1.67 -3.26 103.07 97.84 2jrl h GLY 60 Ca -0.44 -0.22 0.10 0.00 0.00 0.00 0.00 47.33 46.77 2jrl h GLY 60 CO 0.31 0.20 0.25 -2.08 0.00 0.00 0.00 176.54 175.21 2jrl h VAL 61 N 0.02 0.75 0.00 4.60 2.07 -1.90 -0.30 116.25 121.49 2jrl h VAL 61 Ca -0.27 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 2jrl h VAL 61 Cb 1.99 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 2jrl h VAL 61 CO 0.10 0.08 -0.53 -1.13 0.02 0.00 0.00 177.57 176.10 2jrl h ASN 62 N 0.42 0.00 -0.44 0.57 -1.24 -1.96 -3.14 115.58 109.79 2jrl h ASN 62 Ca 0.33 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.34 2jrl h ASN 62 Cb 0.43 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.46 2jrl h ASN 62 CO -0.33 0.53 0.27 0.15 -1.29 0.00 0.00 177.43 176.76 2jrl h PHE 63 N 0.00 0.58 -0.73 0.67 3.57 -1.11 -2.47 116.94 117.46 2jrl h PHE 63 Ca -0.01 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.63 2jrl h PHE 63 Cb 1.16 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 39.61 2jrl h PHE 63 CO 0.00 0.39 0.29 0.82 -2.23 0.00 0.00 178.31 177.58 2jrl h ILE 64 N 0.62 0.68 -0.98 1.41 2.04 -1.39 -1.01 117.51 118.87 2jrl h ILE 64 Ca 0.16 -0.15 0.34 0.00 1.00 0.00 0.00 64.86 66.21 2jrl h ILE 64 Cb -0.02 0.20 -0.17 0.00 -0.74 0.00 0.00 36.82 36.08 2jrl h ILE 64 CO -0.03 0.08 0.33 -0.78 0.00 0.00 0.00 178.15 177.75 2jrl h ASP 65 N 0.44 0.02 -0.31 1.72 3.58 -1.62 0.75 116.42 120.99 2jrl h ASP 65 Ca 0.39 0.25 -0.06 0.00 0.42 0.00 0.00 57.03 58.04 2jrl h ASP 65 Cb 0.58 0.34 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 2jrl h ASP 65 CO -0.39 -0.35 -0.02 0.15 -2.88 0.00 0.00 179.24 175.75 2jrl h PHE 66 N 0.06 0.62 -0.10 0.28 3.57 -1.34 -2.88 116.94 117.13 2jrl h PHE 66 Ca 0.72 -0.12 -0.00 0.00 3.53 0.00 0.00 57.97 62.10 2jrl h PHE 66 Cb 1.72 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 40.29 2jrl h PHE 66 CO -0.21 0.71 0.06 0.82 -2.23 0.00 0.00 178.31 177.46 2jrl h ILE 67 N 0.35 1.09 0.00 1.41 2.04 0.41 -1.34 117.51 121.47 2jrl h ILE 67 Ca 0.09 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2jrl h ILE 67 Cb 0.48 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2jrl h ILE 67 CO 0.02 0.08 0.00 0.29 0.00 0.00 0.00 178.15 178.54 2jrl n LYS 68 N -4.97 0.03 -0.02 2.37 4.76 0.38 0.14 118.16 120.85 2jrl n LYS 68 Ca -0.05 0.51 -0.19 0.00 -2.87 0.00 0.00 58.31 55.70 2jrl n LYS 68 Cb 0.07 -1.59 -0.14 0.00 -1.84 0.00 0.00 35.03 31.53 2jrl n LYS 68 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2jrl n GLU 69 N -1.65 0.73 -0.47 1.97 2.13 -0.56 -3.99 120.64 118.81 2jrl n GLU 69 Ca -0.00 0.24 0.05 0.00 0.66 0.00 0.00 57.16 58.11 2jrl n GLU 69 Cb 0.02 -1.69 0.20 0.00 0.27 0.00 0.00 31.44 30.24 2jrl n GLU 69 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jrl n ASN 70 N -3.39 2.53 0.00 4.31 0.23 -0.54 -4.79 115.26 113.60 2jrl n ASN 70 Ca -0.32 -3.46 0.00 0.00 -0.53 0.00 0.00 54.58 50.27 2jrl n ASN 70 Cb 1.04 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 2jrl n ASN 70 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2jrl n SER 71 N -1.09 0.00 -0.11 0.53 2.88 0.37 -5.00 113.62 111.20 2jrl n SER 71 Ca 0.22 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.63 2jrl n SER 71 Cb 0.81 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.24 2jrl n SER 71 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2jrl h PRO 72 N 0.00 0.86 0.00 -1.46 0.13 -1.69 -2.84 132.00 127.00 2jrl h PRO 72 Ca 0.00 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jrl h PRO 72 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2jrl h PRO 72 CO 0.00 1.09 0.00 -0.25 -0.23 0.00 0.00 178.00 178.61 2jrl n ASP 73 N -4.14 0.00 -4.83 1.44 8.00 -1.26 -4.81 116.55 110.95 2jrl n ASP 73 Ca -0.03 -0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.12 2jrl n ASP 73 Cb 0.52 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jrl s SER 74 N -2.60 6.45 -0.11 -2.24 0.15 -1.07 -4.95 113.70 109.34 2jrl s SER 74 Ca 0.22 1.65 0.02 0.00 0.70 0.00 0.00 55.95 58.54 2jrl s SER 74 Cb 0.16 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.97 2jrl s SER 74 CO 0.37 -0.70 -0.16 0.68 1.20 0.00 0.00 173.24 174.63 2jrl s VAL 75 N -2.52 1.54 0.07 4.45 -7.23 -1.19 -5.01 120.40 110.51 2jrl s VAL 75 Ca 0.61 -0.67 0.09 0.00 -1.81 0.00 0.00 61.98 60.20 2jrl s VAL 75 Cb -0.11 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 2jrl s VAL 75 CO 0.30 0.45 -0.26 -0.69 -0.31 0.00 0.00 175.10 174.60 2jrl s VAL 76 N 0.92 2.10 -0.19 1.32 1.01 -1.11 -1.63 120.40 122.82 2jrl s VAL 76 Ca -0.08 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 2jrl s VAL 76 Cb -0.15 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2jrl s VAL 76 CO -0.01 0.26 0.01 -0.63 0.00 0.00 0.00 175.10 174.74 2jrl s ILE 77 N -0.88 4.15 -0.24 2.22 1.09 0.11 -1.60 121.20 126.05 2jrl s ILE 77 Ca 0.12 -0.25 -0.11 0.00 -1.10 0.00 0.00 60.65 59.31 2jrl s ILE 77 Cb -0.10 -2.87 -0.05 0.00 -1.06 0.00 0.00 42.46 38.39 2jrl s ILE 77 CO 0.03 0.44 0.16 -0.69 -0.10 0.00 0.00 174.94 174.78 2jrl s VAL 78 N 0.75 5.36 0.01 2.92 1.01 -1.19 -1.32 120.40 127.95 2jrl s VAL 78 Ca 0.01 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2jrl s VAL 78 Cb -0.14 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2jrl s VAL 78 CO 0.02 0.35 -0.11 0.27 0.00 0.00 0.00 175.10 175.63 2jrl s ILE 79 N 1.02 0.88 -0.11 2.22 -4.36 -1.23 -3.19 121.20 116.43 2jrl s ILE 79 Ca 0.08 -0.64 -0.17 0.00 -0.26 0.00 0.00 60.65 59.66 2jrl s ILE 79 Cb -0.13 -0.77 0.04 0.00 1.25 0.00 0.00 42.46 42.84 2jrl s ILE 79 CO 0.04 0.13 0.42 0.28 0.24 0.00 0.00 174.94 176.05 2jrl s THR 80 N -0.49 0.02 -0.22 8.37 -1.32 -1.15 0.32 115.64 121.16 2jrl s THR 80 Ca 0.02 -0.13 0.20 0.00 -1.21 0.00 0.00 61.69 60.58 2jrl s THR 80 Cb -0.05 -0.65 0.01 0.00 -1.51 0.00 0.00 72.50 70.30 2jrl s THR 80 CO 0.00 -0.07 1.09 1.23 -2.21 0.00 0.00 174.62 174.66 2jrl h GLY 81 N 4.79 0.00 2.00 6.08 0.00 -1.89 -2.41 103.07 111.65 2jrl h GLY 81 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2jrl h GLY 81 CO 0.29 0.00 -0.10 0.45 0.00 0.00 0.00 176.54 177.19 2jrl h HIS 82 N 0.00 0.00 -3.01 5.60 3.86 -1.99 -3.43 115.15 116.18 2jrl h HIS 82 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 2jrl h HIS 82 Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 2jrl h HIS 82 CO 0.00 0.10 -0.72 0.41 0.86 0.00 0.00 177.93 178.58 2jrl n GLY 83 N -1.16 -4.45 0.00 2.45 0.00 -1.25 -5.09 105.19 95.69 2jrl n GLY 83 Ca -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2jrl n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jrl n SER 84 N -0.39 0.00 -0.10 1.61 2.88 -1.26 -5.05 113.62 111.31 2jrl n SER 84 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 2jrl n SER 84 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2jrl n SER 84 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 2jrl h VAL 85 N 0.00 1.28 0.26 2.46 3.04 -1.98 -1.14 116.25 120.16 2jrl h VAL 85 Ca 0.00 -1.08 0.01 0.00 -1.01 0.00 0.00 66.70 64.62 2jrl h VAL 85 Cb 0.00 1.37 -0.03 0.00 -2.01 0.00 0.00 31.29 30.62 2jrl h VAL 85 CO 0.00 0.35 -0.32 0.44 -1.01 0.00 0.00 177.57 177.03 2jrl h ASP 86 N 0.34 -0.88 0.09 3.17 3.32 -2.01 -1.72 116.42 118.73 2jrl h ASP 86 Ca 0.08 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 2jrl h ASP 86 Cb 0.53 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2jrl h ASP 86 CO 0.03 -0.44 -0.12 0.74 -1.72 0.00 0.00 179.24 177.73 2jrl h THR 87 N -0.63 1.12 0.11 0.35 2.02 -1.97 -2.85 112.91 111.07 2jrl h THR 87 Ca -0.00 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 2jrl h THR 87 Cb 0.60 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2jrl h THR 87 CO -0.10 0.16 -0.06 0.00 0.37 0.00 0.00 175.52 175.89 2jrl h ALA 88 N 1.80 -0.15 0.52 6.16 0.00 -0.46 -0.70 119.26 126.43 2jrl h ALA 88 Ca 0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jrl h ALA 88 Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2jrl h ALA 88 CO 0.02 -0.58 -0.42 0.28 0.00 0.00 0.00 179.25 178.55 2jrl h VAL 89 N -0.18 0.00 -0.30 0.00 2.07 -1.11 -0.80 116.25 115.94 2jrl h VAL 89 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 2jrl h VAL 89 Cb 0.14 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2jrl h VAL 89 CO 0.03 0.00 0.37 0.07 0.02 0.00 0.00 177.57 178.06 2jrl h LYS 90 N -0.91 0.00 0.00 1.57 2.10 -1.55 0.75 116.57 118.53 2jrl h LYS 90 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 2jrl h LYS 90 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2jrl h LYS 90 CO 0.00 0.00 -0.18 0.00 -2.00 0.00 0.00 179.45 177.28 2jrl h ALA 91 N 1.54 0.89 0.09 0.07 0.00 -0.14 -3.01 119.26 118.69 2jrl h ALA 91 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 2jrl h ALA 91 Cb 0.89 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2jrl h ALA 91 CO -0.00 0.00 -1.80 0.82 0.00 0.00 0.00 179.25 178.27 2jrl h ILE 92 N 0.00 0.81 0.00 0.00 1.08 0.19 -2.41 117.51 117.18 2jrl h ILE 92 Ca 0.00 -2.56 0.00 0.00 -0.39 0.00 0.00 64.86 61.91 2jrl h ILE 92 Cb 0.79 2.54 0.00 0.00 -3.07 0.00 0.00 36.82 37.08 2jrl h ILE 92 CO 0.00 0.75 0.00 0.11 -0.69 0.00 0.00 178.15 178.32 2jrl h LYS 93 N 0.05 0.00 0.27 2.37 1.57 -1.48 -3.30 116.57 116.05 2jrl h LYS 93 Ca -0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2jrl h LYS 93 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 2jrl h LYS 93 CO 0.10 0.00 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.64 2jrl h LYS 94 N 0.00 -0.35 0.00 3.15 1.63 -1.65 -3.47 116.57 115.89 2jrl h LYS 94 Ca 0.00 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2jrl h LYS 94 Cb 0.82 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.52 2jrl h LYS 94 CO 0.00 -0.23 -0.00 0.41 -3.45 0.00 0.00 179.45 176.18 2jrl n GLY 95 N 0.82 -0.13 3.55 5.01 0.00 -1.24 -4.86 105.19 108.33 2jrl n GLY 95 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2jrl n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrl s ALA 96 N 0.00 3.51 0.29 4.61 0.00 -0.91 -2.73 121.76 126.53 2jrl s ALA 96 Ca 0.00 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2jrl s ALA 96 Cb 0.00 -2.62 0.45 0.00 0.00 0.00 0.00 23.12 20.95 2jrl s ALA 96 CO 0.00 -0.86 1.68 -0.92 0.00 0.00 0.00 175.76 175.66 2jrl h TYR 97 N 8.46 0.20 -2.59 0.00 3.20 -1.60 -3.41 116.97 121.23 2jrl h TYR 97 Ca -0.32 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.40 2jrl h TYR 97 Cb 1.17 -0.04 -0.19 0.00 1.54 0.00 0.00 36.73 39.20 2jrl h TYR 97 CO 0.69 0.61 -0.07 -2.00 -1.64 0.00 0.00 178.16 175.75 2jrl s GLU 98 N -4.01 0.85 -0.26 1.82 2.56 -1.26 -5.09 118.70 113.31 2jrl s GLU 98 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.97 54.91 2jrl s GLU 98 Cb 0.13 0.39 0.03 0.00 2.00 0.00 0.00 34.13 36.68 2jrl s GLU 98 CO 0.77 -0.25 -0.05 0.12 -0.56 0.00 0.00 175.26 175.29 2jrl s PHE 99 N -1.34 3.11 -0.07 5.30 2.19 -1.26 -3.17 117.98 122.74 2jrl s PHE 99 Ca -0.12 -1.61 0.04 0.00 0.33 0.00 0.00 56.93 55.57 2jrl s PHE 99 Cb -0.03 -2.07 0.00 0.00 -1.31 0.00 0.00 43.02 39.61 2jrl s PHE 99 CO 0.06 -0.74 -0.18 -0.51 1.83 0.00 0.00 175.22 175.68 2jrl s LEU 100 N 1.31 1.90 0.00 6.12 1.43 -1.19 -5.05 118.68 123.20 2jrl s LEU 100 Ca -0.01 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.49 2jrl s LEU 100 Cb -0.17 -1.10 0.29 0.00 0.03 0.00 0.00 46.19 45.24 2jrl s LEU 100 CO -0.04 0.13 0.66 -0.62 0.23 0.00 0.00 176.35 176.71 2jrl n GLU 101 N 3.45 -4.02 0.24 1.70 1.02 -1.26 -2.91 120.64 118.86 2jrl n GLU 101 Ca -0.20 -1.10 -0.11 0.00 -0.02 0.00 0.00 57.16 55.72 2jrl n GLU 101 Cb 0.52 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 2jrl n GLU 101 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jrl h LYS 102 N 0.00 -0.66 -6.47 3.49 1.79 -1.70 -3.41 116.57 109.60 2jrl h LYS 102 Ca -0.30 0.05 -0.53 0.00 -2.18 0.00 0.00 60.65 57.68 2jrl h LYS 102 Cb 1.01 0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.82 2jrl h LYS 102 CO 0.18 -0.44 0.77 -1.25 -1.08 0.00 0.00 179.45 177.63 2jrl s PRO 103 N -4.69 4.31 0.04 3.15 0.04 -1.26 -4.97 135.00 131.61 2jrl s PRO 103 Ca -0.11 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 2jrl s PRO 103 Cb 0.02 -3.39 0.04 0.00 0.04 0.00 0.00 34.50 31.20 2jrl s PRO 103 CO 0.35 -0.49 0.41 -0.59 0.04 0.00 0.00 177.00 176.72 2jrl s PHE 104 N 1.66 -0.27 0.11 0.56 -0.12 -1.26 -5.11 117.98 113.54 2jrl s PHE 104 Ca 0.64 0.27 0.05 0.00 -0.05 0.00 0.00 56.93 57.84 2jrl s PHE 104 Cb -0.35 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.22 2jrl s PHE 104 CO 0.29 -0.56 0.03 -1.12 -0.05 0.00 0.00 175.22 173.81 2jrl s SER 105 N -1.91 5.13 0.55 1.98 0.01 -1.26 -4.95 113.70 113.25 2jrl s SER 105 Ca -0.06 -0.18 0.34 0.00 1.31 0.00 0.00 55.95 57.36 2jrl s SER 105 Cb -0.01 -1.25 1.49 0.00 0.21 0.00 0.00 66.02 66.46 2jrl s SER 105 CO -0.01 0.15 1.82 1.62 0.41 0.00 0.00 173.24 177.23 2jrl h VAL 106 N 2.65 0.43 0.07 3.43 3.04 -2.02 0.50 116.25 124.34 2jrl h VAL 106 Ca -0.47 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2jrl h VAL 106 Cb 1.17 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2jrl h VAL 106 CO 0.61 0.00 -0.03 -0.08 -1.01 0.00 0.00 177.57 177.06 2jrl h GLU 107 N 0.00 -0.09 0.00 4.17 4.81 -1.99 0.25 114.58 121.73 2jrl h GLU 107 Ca 0.46 0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.53 2jrl h GLU 107 Cb 1.95 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.33 2jrl h GLU 107 CO -0.00 0.01 -0.95 -0.09 -0.73 0.00 0.00 179.01 177.24 2jrl h ARG 108 N -0.16 0.00 0.00 1.92 9.65 -1.37 -3.06 114.38 121.37 2jrl h ARG 108 Ca -0.01 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2jrl h ARG 108 Cb 0.14 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 2jrl h ARG 108 CO 0.01 0.60 -0.00 0.35 2.80 0.00 0.00 179.97 183.73 2jrl h PHE 109 N 0.00 -0.00 -0.65 2.20 3.04 -0.02 -2.81 116.94 118.70 2jrl h PHE 109 Ca -0.07 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.82 2jrl h PHE 109 Cb 1.60 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 40.08 2jrl h PHE 109 CO 0.00 0.51 0.17 1.37 -2.02 0.00 0.00 178.31 178.34 2jrl h LEU 110 N -0.52 0.95 -1.77 0.59 8.10 -0.64 -2.38 115.31 119.65 2jrl h LEU 110 Ca -0.00 -0.18 -0.00 0.00 0.11 0.00 0.00 57.88 57.80 2jrl h LEU 110 Cb 0.51 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.47 2jrl h LEU 110 CO 0.00 0.91 0.10 0.25 -4.11 0.00 0.00 178.44 175.59 2jrl h LEU 111 N 0.97 0.22 -0.04 0.17 6.46 -1.56 -1.54 115.31 119.99 2jrl h LEU 111 Ca 0.21 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 2jrl h LEU 111 Cb 0.32 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2jrl h LEU 111 CO -0.00 0.18 -0.00 0.74 -0.62 0.00 0.00 178.44 178.74 2jrl h THR 112 N 0.25 1.27 0.79 1.05 2.02 -1.15 -2.63 112.91 114.51 2jrl h THR 112 Ca 0.07 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 2jrl h THR 112 Cb 0.01 1.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2jrl h THR 112 CO -0.01 0.22 -0.38 0.40 0.37 0.00 0.00 175.52 176.12 2jrl h ILE 113 N -0.25 0.11 -0.93 3.11 1.08 -1.36 0.33 117.51 119.61 2jrl h ILE 113 Ca 0.01 -0.16 0.27 0.00 -0.39 0.00 0.00 64.86 64.59 2jrl h ILE 113 Cb 0.36 0.13 -0.16 0.00 -3.07 0.00 0.00 36.82 34.08 2jrl h ILE 113 CO 0.00 0.01 0.20 0.50 -0.69 0.00 0.00 178.15 178.18 2jrl h LYS 114 N -1.20 0.11 0.00 2.37 3.64 -1.39 0.95 116.57 121.05 2jrl h LYS 114 Ca -0.11 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.10 2jrl h LYS 114 Cb 0.83 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2jrl h LYS 114 CO 0.18 0.07 -0.78 0.45 -2.27 0.00 0.00 179.45 177.10 2jrl h HIS 115 N 0.11 0.00 -0.67 1.91 3.86 -1.35 -3.16 115.15 115.86 2jrl h HIS 115 Ca 0.60 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.91 2jrl h HIS 115 Cb 1.29 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.69 2jrl h HIS 115 CO -0.31 0.78 0.30 0.00 0.86 0.00 0.00 177.93 179.56 2jrl h ALA 116 N 1.22 0.90 0.21 2.45 0.00 0.50 -0.62 119.26 123.91 2jrl h ALA 116 Ca -0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2jrl h ALA 116 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2jrl h ALA 116 CO 0.10 -0.12 -0.10 0.74 0.00 0.00 0.00 179.25 179.87 2jrl h PHE 117 N 0.51 -0.26 -0.97 0.00 -1.00 -1.48 -2.33 116.94 111.41 2jrl h PHE 117 Ca 0.33 -0.01 0.35 0.00 2.81 0.00 0.00 57.97 61.45 2jrl h PHE 117 Cb 0.38 0.09 -0.18 0.00 3.61 0.00 0.00 35.95 39.85 2jrl h PHE 117 CO -0.13 -0.16 0.31 0.39 -1.61 0.00 0.00 178.31 177.10 2jrl n GLU 118 N -3.88 -0.07 0.08 1.51 1.02 -1.19 0.13 120.64 118.24 2jrl n GLU 118 Ca -0.03 1.39 -0.13 0.00 -0.02 0.00 0.00 57.16 58.36 2jrl n GLU 118 Cb 0.11 -2.36 -0.08 0.00 -0.02 0.00 0.00 31.44 29.08 2jrl n GLU 118 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2jrl h GLU 119 N 0.00 -0.21 -1.01 3.49 4.57 -1.19 -3.11 114.58 117.12 2jrl h GLU 119 Ca 0.72 0.01 0.23 0.00 -1.18 0.00 0.00 59.36 59.15 2jrl h GLU 119 Cb 1.76 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 30.29 2jrl h GLU 119 CO -0.82 0.15 0.62 -0.92 -1.18 0.00 0.00 179.01 176.86 2jrl h TYR 120 N -0.62 0.91 0.00 0.92 3.20 0.28 -3.51 116.97 118.14 2jrl h TYR 120 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jrl h TYR 120 Cb 0.46 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.46 2jrl h TYR 120 CO 0.05 0.12 0.00 0.45 -1.64 0.00 0.00 178.16 177.13