#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 -1.53 -2.70 2.12 4.76 -1.26 -4.70 118.16 114.85 2jrl n LYS 2 Ca 0.00 0.93 -0.39 0.00 -2.87 0.00 0.00 58.31 55.98 2jrl n LYS 2 Cb 0.00 -5.33 -0.06 0.00 -1.84 0.00 0.00 35.03 27.81 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 -3.87 4.71 -0.10 1.97 0.52 -1.26 -1.60 118.95 119.32 2jrl s ARG 3 Ca 0.00 1.50 -0.08 0.00 -0.52 0.00 0.00 55.73 56.62 2jrl s ARG 3 Cb 0.00 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.41 2jrl s ARG 3 CO 0.00 0.37 0.26 0.08 0.02 0.00 0.00 175.30 176.02 2jrl s VAL 4 N -1.33 -0.01 -0.24 3.52 1.01 -0.50 -3.53 120.40 119.33 2jrl s VAL 4 Ca 0.45 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.47 2jrl s VAL 4 Cb -0.25 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 35.81 2jrl s VAL 4 CO 0.31 0.01 -0.12 -0.22 0.00 0.00 0.00 175.10 175.08 2jrl s LEU 5 N 0.33 3.05 -0.43 3.92 2.96 -1.23 -1.48 118.68 125.80 2jrl s LEU 5 Ca -0.02 -1.09 -0.18 0.00 -0.22 0.00 0.00 54.13 52.62 2jrl s LEU 5 Cb -0.03 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.13 2jrl s LEU 5 CO -0.01 -0.13 0.51 -0.69 -1.32 0.00 0.00 176.35 174.71 2jrl s VAL 6 N 1.20 5.00 -0.36 1.68 1.01 0.55 -0.21 120.40 129.27 2jrl s VAL 6 Ca -0.03 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 2jrl s VAL 6 Cb -0.17 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2jrl s VAL 6 CO -0.07 -0.50 0.41 -0.69 0.00 0.00 0.00 175.10 174.24 2jrl s VAL 7 N 2.36 5.12 -0.29 2.92 1.01 0.13 -2.38 120.40 129.28 2jrl s VAL 7 Ca 0.15 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 2jrl s VAL 7 Cb -0.16 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.45 2jrl s VAL 7 CO 0.15 -0.17 0.85 -0.62 0.00 0.00 0.00 175.10 175.30 2jrl s ASP 8 N 1.75 -0.71 0.00 3.32 2.15 -0.07 -2.54 116.67 120.56 2jrl s ASP 8 Ca 0.13 1.13 0.01 0.00 0.43 0.00 0.00 52.55 54.25 2jrl s ASP 8 Cb -0.16 1.31 0.05 0.00 -0.30 0.00 0.00 42.92 43.82 2jrl s ASP 8 CO 0.12 -0.18 0.51 -0.90 -0.17 0.00 0.00 175.17 174.55 2jrl n ASP 9 N 4.02 0.00 -4.09 -0.34 5.75 -1.26 -4.19 116.55 116.44 2jrl n ASP 9 Ca -0.19 -0.89 -0.36 0.00 -0.01 0.00 0.00 54.79 53.34 2jrl n ASP 9 Cb 0.58 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 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 2.94 0.60 0.11 2.56 -1.26 -4.90 118.70 116.75 2jrl s GLU 10 Ca 0.01 -2.97 0.29 0.00 0.00 0.00 0.00 54.97 52.30 2jrl s GLU 10 Cb 0.01 -3.84 1.66 0.00 2.00 0.00 0.00 34.13 33.96 2jrl s GLU 10 CO 0.01 -1.23 2.07 1.49 -0.56 0.00 0.00 175.26 177.04 2jrl h GLU 11 N 6.40 0.00 -0.75 4.30 4.81 -1.99 -0.40 114.58 126.95 2jrl h GLU 11 Ca 0.09 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2jrl h GLU 11 Cb 0.87 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.22 2jrl h GLU 11 CO 0.78 0.00 0.28 1.03 -0.73 0.00 0.00 179.01 180.37 2jrl h SER 12 N 0.00 1.03 0.08 1.04 0.87 -1.94 -2.00 113.55 112.63 2jrl h SER 12 Ca 0.10 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2jrl h SER 12 Cb 0.58 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2jrl h SER 12 CO -0.00 0.93 -0.04 0.40 -0.53 0.00 0.00 176.83 177.59 2jrl h ILE 13 N 1.09 0.66 -1.17 2.23 1.08 -1.49 -3.30 117.51 116.60 2jrl h ILE 13 Ca 0.25 -1.32 0.33 0.00 -0.39 0.00 0.00 64.86 63.73 2jrl h ILE 13 Cb 0.23 1.20 -0.08 0.00 -3.07 0.00 0.00 36.82 35.10 2jrl h ILE 13 CO -0.02 0.21 0.79 0.71 -0.69 0.00 0.00 178.15 179.15 2jrl h THR 14 N -0.98 0.40 -0.94 -0.27 1.35 -1.50 0.46 112.91 111.43 2jrl h THR 14 Ca -0.01 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2jrl h THR 14 Cb 0.42 0.20 -0.05 0.00 -1.73 0.00 0.00 68.15 67.00 2jrl h THR 14 CO 0.02 0.03 0.59 -1.28 -0.25 0.00 0.00 175.52 174.64 2jrl h SER 15 N 0.18 1.11 0.06 5.36 0.87 -1.44 0.17 113.55 119.86 2jrl h SER 15 Ca 0.63 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 61.14 2jrl h SER 15 Cb 2.04 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 2jrl h SER 15 CO -0.20 0.83 -0.03 -1.28 -0.53 0.00 0.00 176.83 175.62 2jrl h SER 16 N 1.29 -0.07 -0.17 6.23 0.87 -0.22 -3.02 113.55 118.47 2jrl h SER 16 Ca 0.34 -0.49 0.05 0.00 -1.23 0.00 0.00 61.79 60.46 2jrl h SER 16 Cb -0.10 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2jrl h SER 16 CO -0.07 0.62 0.19 -0.07 -0.53 0.00 0.00 176.83 176.97 2jrl h LEU 17 N -0.94 0.00 -0.27 2.23 4.07 -1.24 0.11 115.31 119.27 2jrl h LEU 17 Ca -0.01 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.79 2jrl h LEU 17 Cb 0.55 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 2jrl h LEU 17 CO 0.01 0.00 -0.77 0.77 -1.08 0.00 0.00 178.44 177.37 2jrl h SER 18 N 0.00 0.00 -0.26 -0.43 4.64 -0.72 -2.54 113.55 114.24 2jrl h SER 18 Ca 0.08 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.33 2jrl h SER 18 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2jrl h SER 18 CO -0.00 0.77 -0.11 0.00 -0.87 0.00 0.00 176.83 176.62 2jrl h ALA 19 N 1.23 0.37 -0.09 5.18 0.00 -0.64 -1.46 119.26 123.85 2jrl h ALA 19 Ca -0.01 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.43 2jrl h ALA 19 Cb 1.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2jrl h ALA 19 CO 0.10 0.23 -0.66 0.82 0.00 0.00 0.00 179.25 179.74 2jrl h ILE 20 N 0.28 1.37 -0.03 0.00 1.08 -1.57 -2.50 117.51 116.14 2jrl h ILE 20 Ca 0.06 -2.04 -0.00 0.00 -0.39 0.00 0.00 64.86 62.49 2jrl h ILE 20 Cb 0.62 2.02 -0.00 0.00 -3.07 0.00 0.00 36.82 36.39 2jrl h ILE 20 CO 0.04 0.61 0.00 0.25 -0.69 0.00 0.00 178.15 178.36 2jrl h LEU 21 N 0.27 0.05 -1.87 1.44 5.85 -1.41 -2.77 115.31 116.87 2jrl h LEU 21 Ca -0.02 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 2jrl h LEU 21 Cb 1.20 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 2jrl h LEU 21 CO 0.11 0.35 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.39 2jrl h GLU 22 N -0.24 0.00 -0.41 1.25 4.22 -1.31 -1.67 114.58 116.42 2jrl h GLU 22 Ca 0.01 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.30 2jrl h GLU 22 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2jrl h GLU 22 CO 0.00 0.09 -0.34 1.49 -2.18 0.00 0.00 179.01 178.07 2jrl h GLU 23 N 0.00 0.94 0.00 1.92 4.81 -1.18 -2.56 114.58 118.52 2jrl h GLU 23 Ca -0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2jrl h GLU 23 Cb 0.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.76 2jrl h GLU 23 CO 0.01 1.13 0.00 0.39 -0.73 0.00 0.00 179.01 179.81 2jrl n GLU 24 N -4.07 0.88 -0.08 1.92 -0.58 -0.99 -4.82 120.64 112.89 2jrl n GLU 24 Ca -0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 2jrl n GLU 24 Cb 0.52 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.07 2jrl n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jrl n GLY 25 N 0.63 0.78 3.72 0.62 0.00 -0.96 -5.06 105.19 104.91 2jrl n GLY 25 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.36 2.15 -0.60 1.61 2.02 -0.66 -4.95 117.35 114.56 2jrl s TYR 26 Ca 0.00 0.88 0.01 0.00 -0.37 0.00 0.00 57.07 57.59 2jrl s TYR 26 Cb 0.00 -3.34 0.15 0.00 -0.40 0.00 0.00 41.96 38.37 2jrl s TYR 26 CO 0.00 -2.78 0.38 -1.01 -1.57 0.00 0.00 175.55 170.57 2jrl s HIS 27 N -3.10 3.33 0.40 2.71 3.76 -0.63 -3.83 115.29 117.93 2jrl s HIS 27 Ca 0.65 -2.98 -0.25 0.00 -0.15 0.00 0.00 55.06 52.33 2jrl s HIS 27 Cb -0.16 -3.00 -0.08 0.00 1.11 0.00 0.00 32.58 30.44 2jrl s HIS 27 CO 0.56 -0.77 1.19 -1.25 -0.85 0.00 0.00 174.74 173.61 2jrl s PRO 28 N -0.33 4.03 0.14 8.40 0.04 -1.25 -1.41 135.00 144.61 2jrl s PRO 28 Ca 0.18 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.12 2jrl s PRO 28 Cb -0.21 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2jrl s PRO 28 CO -0.03 -0.35 -0.04 -0.51 0.04 0.00 0.00 177.00 176.11 2jrl s ASP 29 N -1.10 1.23 0.08 6.66 1.11 -0.55 -4.95 116.67 119.16 2jrl s ASP 29 Ca 0.57 -1.08 0.07 0.00 0.18 0.00 0.00 52.55 52.29 2jrl s ASP 29 Cb -0.31 0.10 -0.03 0.00 1.07 0.00 0.00 42.92 43.74 2jrl s ASP 29 CO 0.40 -0.50 -0.19 0.42 1.18 0.00 0.00 175.17 176.48 2jrl s THR 30 N -3.61 1.50 -0.25 -1.27 -4.23 -1.25 -0.33 115.64 106.20 2jrl s THR 30 Ca 0.18 -1.38 -0.09 0.00 -1.18 0.00 0.00 61.69 59.21 2jrl s THR 30 Cb 0.05 -1.37 0.11 0.00 1.34 0.00 0.00 72.50 72.63 2jrl s THR 30 CO -0.00 -0.06 0.54 0.00 -0.54 0.00 0.00 174.62 174.56 2jrl s ALA 31 N -1.11 -1.59 -1.02 3.99 0.00 -1.00 -4.91 121.76 116.13 2jrl s ALA 31 Ca 0.04 1.93 0.25 0.00 0.00 0.00 0.00 51.96 54.18 2jrl s ALA 31 Cb -0.10 -1.52 0.58 0.00 0.00 0.00 0.00 23.12 22.09 2jrl s ALA 31 CO 0.03 -0.80 1.47 0.36 0.00 0.00 0.00 175.76 176.82 2jrl n LYS 32 N 5.32 0.02 -3.90 0.00 0.00 -1.26 -0.90 118.16 117.45 2jrl n LYS 32 Ca -0.11 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.31 58.05 2jrl n LYS 32 Cb 0.50 -1.50 -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 -2.99 0.06 0.02 0.58 -4.23 -1.26 -4.60 115.64 103.22 2jrl s THR 33 Ca 0.12 0.01 -0.26 0.00 -1.18 0.00 0.00 61.69 60.37 2jrl s THR 33 Cb 0.18 -0.08 -0.17 0.00 1.34 0.00 0.00 72.50 73.77 2jrl s THR 33 CO 0.68 0.04 1.34 -0.07 -0.54 0.00 0.00 174.62 176.07 2jrl h LEU 34 N 6.36 -0.34 -0.99 4.79 -0.00 -1.94 -2.98 115.31 120.21 2jrl h LEU 34 Ca -0.29 -0.15 0.36 0.00 -0.00 0.00 0.00 57.88 57.81 2jrl h LEU 34 Cb 1.19 0.09 -0.18 0.00 -0.00 0.00 0.00 40.66 41.76 2jrl h LEU 34 CO 0.50 -0.03 0.40 0.08 -0.00 0.00 0.00 178.44 179.39 2jrl h ARG 35 N -0.67 0.04 -0.63 1.13 -0.00 -1.99 1.27 114.38 113.53 2jrl h ARG 35 Ca -0.04 -0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.84 2jrl h ARG 35 Cb 0.47 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.41 2jrl h ARG 35 CO 0.07 0.03 0.03 1.49 -0.00 0.00 0.00 179.97 181.59 2jrl h GLU 36 N 0.05 1.10 0.00 0.08 4.57 -1.97 -2.35 114.58 116.05 2jrl h GLU 36 Ca 0.76 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.59 2jrl h GLU 36 Cb 1.88 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.36 2jrl h GLU 36 CO -0.79 1.05 -0.06 0.00 -1.18 0.00 0.00 179.01 178.03 2jrl h ALA 37 N 1.01 1.02 0.11 2.92 0.00 0.17 -2.99 119.26 121.50 2jrl h ALA 37 Ca 0.18 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.78 2jrl h ALA 37 Cb 0.53 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.34 2jrl h ALA 37 CO 0.03 0.07 -1.07 0.93 0.00 0.00 0.00 179.25 179.21 2jrl h GLU 38 N 0.00 0.54 0.22 0.00 5.08 -0.53 -1.81 114.58 118.08 2jrl h GLU 38 Ca -0.00 -0.72 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 2jrl h GLU 38 Cb 0.53 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 2jrl h GLU 38 CO 0.01 1.31 -0.19 0.87 -1.00 0.00 0.00 179.01 180.01 2jrl h LYS 39 N 0.10 -0.41 -0.08 2.33 6.56 -1.31 -2.26 116.57 121.49 2jrl h LYS 39 Ca -0.16 0.03 -0.11 0.00 -1.06 0.00 0.00 60.65 59.34 2jrl h LYS 39 Cb 1.77 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 33.51 2jrl h LYS 39 CO 0.21 -0.28 -0.44 1.57 -2.06 0.00 0.00 179.45 178.45 2jrl h LYS 40 N -0.43 0.19 -0.74 3.15 2.10 -1.67 -2.60 116.57 116.58 2jrl h LYS 40 Ca -0.01 -0.10 0.08 0.00 -2.00 0.00 0.00 60.65 58.63 2jrl h LYS 40 Cb 0.39 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.65 2jrl h LYS 40 CO -0.02 0.61 0.40 0.82 -2.00 0.00 0.00 179.45 179.25 2jrl h ILE 41 N 0.16 0.91 -0.10 0.07 2.04 -0.93 0.65 117.51 120.30 2jrl h ILE 41 Ca 0.01 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2jrl h ILE 41 Cb 0.85 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2jrl h ILE 41 CO 0.07 0.13 0.00 0.29 0.00 0.00 0.00 178.15 178.63 2jrl n LYS 42 N -4.79 1.75 0.00 2.37 5.02 -0.89 -3.61 118.16 118.01 2jrl n LYS 42 Ca 0.11 -1.11 0.09 0.00 -2.02 0.00 0.00 58.31 55.38 2jrl n LYS 42 Cb 0.24 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 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 0.33 1.55 -3.86 1.97 0.28 0.11 -5.01 120.64 116.02 2jrl n GLU 43 Ca 0.17 -1.02 -0.07 0.00 -0.16 0.00 0.00 57.16 56.08 2jrl n GLU 43 Cb 0.36 -1.35 -0.02 0.00 1.43 0.00 0.00 31.44 31.86 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 -2.09 -0.19 -0.21 -1.84 2.34 -0.56 -5.03 118.68 111.09 2jrl s LEU 44 Ca 0.16 -0.69 -0.19 0.00 0.06 0.00 0.00 54.13 53.47 2jrl s LEU 44 Cb 0.15 2.69 -0.03 0.00 -0.56 0.00 0.00 46.19 48.44 2jrl s LEU 44 CO 0.42 -1.38 0.55 0.12 -1.06 0.00 0.00 176.35 175.00 2jrl s PHE 45 N -3.73 3.35 -0.20 3.48 2.19 -1.26 -4.76 117.98 117.05 2jrl s PHE 45 Ca 0.12 0.78 0.01 0.00 0.33 0.00 0.00 56.93 58.17 2jrl s PHE 45 Cb -0.06 -2.71 0.04 0.00 -1.31 0.00 0.00 43.02 38.98 2jrl s PHE 45 CO 0.08 -0.16 -0.11 -0.59 1.83 0.00 0.00 175.22 176.27 2jrl s PHE 46 N 1.85 2.49 -0.02 10.12 -0.71 -1.26 -4.91 117.98 125.54 2jrl s PHE 46 Ca 0.25 -1.63 -0.21 0.00 -1.04 0.00 0.00 56.93 54.30 2jrl s PHE 46 Cb -0.16 -1.68 -0.13 0.00 -1.21 0.00 0.00 43.02 39.85 2jrl s PHE 46 CO 0.10 -0.75 0.89 -1.00 -1.34 0.00 0.00 175.22 173.11 2jrl h PRO 47 N 7.96 -0.54 -4.51 1.99 0.13 -1.94 -3.45 132.00 131.63 2jrl h PRO 47 Ca -0.29 0.04 -0.41 0.00 -0.87 0.00 0.00 66.00 64.47 2jrl h PRO 47 Cb 1.10 0.12 -0.31 0.00 0.13 0.00 0.00 31.00 32.05 2jrl h PRO 47 CO 0.49 -0.27 -0.78 0.14 -0.23 0.00 0.00 178.00 177.35 2jrl s VAL 48 N -3.90 0.69 0.03 1.56 -7.23 -1.23 -2.95 120.40 107.37 2jrl s VAL 48 Ca -0.11 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 2jrl s VAL 48 Cb 0.01 -0.62 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 2jrl s VAL 48 CO 0.38 0.22 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.66 2jrl s ILE 49 N 0.17 0.69 -0.15 -0.62 1.01 -0.94 -3.52 121.20 117.84 2jrl s ILE 49 Ca -0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 2jrl s ILE 49 Cb -0.08 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.70 2jrl s ILE 49 CO 0.00 -0.17 -0.12 -0.69 0.00 0.00 0.00 174.94 173.96 2jrl s VAL 50 N -0.97 2.98 -0.15 2.92 1.01 0.71 -0.25 120.40 126.65 2jrl s VAL 50 Ca -0.04 -0.67 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2jrl s VAL 50 Cb -0.08 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.08 2jrl s VAL 50 CO 0.01 0.50 0.02 -0.22 0.00 0.00 0.00 175.10 175.41 2jrl s LEU 51 N 0.71 0.96 0.93 3.92 2.96 -0.52 0.17 118.68 127.80 2jrl s LEU 51 Ca -0.06 -0.56 -0.12 0.00 -0.22 0.00 0.00 54.13 53.17 2jrl s LEU 51 Cb -0.15 -0.54 0.15 0.00 0.50 0.00 0.00 46.19 46.14 2jrl s LEU 51 CO 0.02 -0.27 1.10 -0.62 -1.32 0.00 0.00 176.35 175.26 2jrl s ASP 52 N 1.90 3.28 -0.12 3.68 2.15 -1.05 -3.36 116.67 123.15 2jrl s ASP 52 Ca 0.01 1.25 -0.25 0.00 0.43 0.00 0.00 52.55 53.99 2jrl s ASP 52 Cb -0.15 -1.91 -0.27 0.00 -0.30 0.00 0.00 42.92 40.28 2jrl s ASP 52 CO -0.07 -2.73 0.74 0.58 -0.17 0.00 0.00 175.17 173.52 2jrl h VAL 53 N -1.62 1.58 -0.15 1.11 2.07 -0.30 -3.33 116.25 115.61 2jrl h VAL 53 Ca -0.51 -2.39 -0.06 0.00 0.82 0.00 0.00 66.70 64.56 2jrl h VAL 53 Cb 1.31 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 34.26 2jrl h VAL 53 CO 0.58 0.62 0.19 0.86 0.02 0.00 0.00 177.57 179.84 2jrl s TRP 54 N -2.31 1.31 0.07 1.57 -0.00 -1.26 -3.71 118.94 114.60 2jrl s TRP 54 Ca -0.18 2.09 0.09 0.00 -0.00 0.00 0.00 56.10 58.10 2jrl s TRP 54 Cb -0.01 -3.40 -0.03 0.00 -0.00 0.00 0.00 33.47 30.03 2jrl s TRP 54 CO 0.73 -0.72 -0.24 -1.64 -0.00 0.00 0.00 176.95 175.08 2jrl s MET 55 N 8.21 1.78 -0.00 5.86 -1.94 -1.26 -4.56 119.30 127.38 2jrl s MET 55 Ca 0.80 -1.14 -0.24 0.00 -1.71 0.00 0.00 55.69 53.40 2jrl s MET 55 Cb -0.04 -2.03 -0.18 0.00 2.01 0.00 0.00 34.83 34.58 2jrl s MET 55 CO 0.18 0.50 1.29 -1.00 -0.01 0.00 0.00 175.02 175.98 2jrl h PRO 56 N 4.44 0.11 0.42 2.03 0.13 -1.89 -3.33 132.00 133.91 2jrl h PRO 56 Ca -0.48 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 2jrl h PRO 56 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jrl h PRO 56 CO 0.44 0.57 -0.20 0.22 -0.23 0.00 0.00 178.00 178.80 2jrl h ASP 57 N -0.34 -0.47 -3.86 1.44 3.58 -1.97 -3.48 116.42 111.32 2jrl h ASP 57 Ca 0.01 -0.07 0.21 0.00 0.42 0.00 0.00 57.03 57.60 2jrl h ASP 57 Cb 0.55 0.12 -0.22 0.00 1.72 0.00 0.00 39.33 41.50 2jrl h ASP 57 CO 0.01 -0.21 0.79 -0.83 -2.88 0.00 0.00 179.24 176.12 2jrl s GLY 58 N -2.39 -0.17 0.93 -0.78 0.00 -1.25 -5.11 107.32 98.55 2jrl s GLY 58 Ca -0.15 2.08 -0.16 0.00 0.00 0.00 0.00 44.72 46.49 2jrl s GLY 58 CO 0.58 0.82 -0.36 1.22 0.00 0.00 0.00 173.10 175.36 2jrl n ASP 59 N 0.28 -4.56 0.01 1.64 8.00 -1.26 -4.50 116.55 116.16 2jrl n ASP 59 Ca -0.02 0.28 -0.16 0.00 0.71 0.00 0.00 54.79 55.60 2jrl n ASP 59 Cb 0.58 -0.91 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 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 -1.01 0.21 0.04 0.44 0.00 -1.67 -3.28 103.07 97.79 2jrl h GLY 60 Ca -0.44 -0.53 0.20 0.00 0.00 0.00 0.00 47.33 46.56 2jrl h GLY 60 CO 0.29 0.46 0.54 -0.24 0.00 0.00 0.00 176.54 177.59 2jrl h VAL 61 N 0.05 0.64 0.00 4.60 3.04 -1.89 0.24 116.25 122.93 2jrl h VAL 61 Ca -0.34 -0.22 -0.14 0.00 -1.01 0.00 0.00 66.70 65.00 2jrl h VAL 61 Cb 2.03 -0.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.23 2jrl h VAL 61 CO 0.10 0.12 -0.65 -1.13 -1.01 0.00 0.00 177.57 175.00 2jrl h ASN 62 N 0.64 0.00 -0.45 3.17 -0.73 -1.95 -3.22 115.58 113.04 2jrl h ASN 62 Ca 0.57 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.77 2jrl h ASN 62 Cb 0.95 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.51 2jrl h ASN 62 CO -0.42 0.65 0.30 0.15 -0.37 0.00 0.00 177.43 177.73 2jrl h PHE 63 N 0.00 0.47 -0.73 0.67 3.57 -0.58 -2.27 116.94 118.07 2jrl h PHE 63 Ca -0.01 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.65 2jrl h PHE 63 Cb 1.41 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 39.89 2jrl h PHE 63 CO 0.00 0.28 0.26 0.82 -2.23 0.00 0.00 178.31 177.44 2jrl h ILE 64 N 0.49 0.63 -0.96 1.41 2.04 -1.48 -1.25 117.51 118.39 2jrl h ILE 64 Ca 0.18 -0.13 0.28 0.00 1.00 0.00 0.00 64.86 66.19 2jrl h ILE 64 Cb 0.11 0.21 -0.18 0.00 -0.74 0.00 0.00 36.82 36.22 2jrl h ILE 64 CO -0.04 0.07 0.07 -0.67 0.00 0.00 0.00 178.15 177.58 2jrl n ASP 65 N -5.04 -0.06 -0.07 1.72 2.03 -0.85 0.79 116.55 115.06 2jrl n ASP 65 Ca 0.14 1.63 -0.11 0.00 0.52 0.00 0.00 54.79 56.96 2jrl n ASP 65 Cb 0.41 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.16 2jrl n ASP 65 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2jrl h PHE 66 N 0.00 0.36 0.19 -0.67 3.57 -1.40 -2.63 116.94 116.36 2jrl h PHE 66 Ca 0.61 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 62.06 2jrl h PHE 66 Cb 1.30 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 2jrl h PHE 66 CO -0.44 0.46 -0.11 0.82 -2.23 0.00 0.00 178.31 176.81 2jrl h ILE 67 N 0.16 0.77 0.00 1.41 2.04 0.41 -0.93 117.51 121.37 2jrl h ILE 67 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2jrl h ILE 67 Cb 0.28 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2jrl h ILE 67 CO 0.00 0.00 0.01 0.29 0.00 0.00 0.00 178.15 178.45 2jrl n LYS 68 N -5.22 0.06 -0.00 2.37 4.76 0.64 0.16 118.16 120.93 2jrl n LYS 68 Ca -0.09 0.55 -0.21 0.00 -2.87 0.00 0.00 58.31 55.70 2jrl n LYS 68 Cb 0.14 -1.70 -0.14 0.00 -1.84 0.00 0.00 35.03 31.50 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 -1.80 0.75 -0.50 1.97 2.13 -0.44 -4.01 120.64 118.74 2jrl n GLU 69 Ca -0.01 0.26 0.05 0.00 0.66 0.00 0.00 57.16 58.12 2jrl n GLU 69 Cb 0.03 -1.71 0.20 0.00 0.27 0.00 0.00 31.44 30.23 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 -3.45 2.31 0.00 4.31 0.23 -0.45 -4.79 115.26 113.42 2jrl n ASN 70 Ca -0.32 -3.57 0.00 0.00 -0.53 0.00 0.00 54.58 50.17 2jrl n ASN 70 Cb 1.05 -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 -1.13 0.00 -0.12 0.53 2.88 0.42 -4.99 113.62 111.21 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 0.79 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.90 0.00 -1.46 0.13 -1.70 -2.85 132.00 127.03 2jrl h PRO 72 Ca 0.00 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 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 1.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.64 2jrl n ASP 73 N -4.10 0.00 -4.82 1.44 8.00 -1.26 -4.81 116.55 111.00 2jrl n ASP 73 Ca -0.02 0.29 -0.33 0.00 0.71 0.00 0.00 54.79 55.43 2jrl n ASP 73 Cb 0.53 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.83 6.25 -0.10 -2.24 0.15 -1.07 -4.93 113.70 108.91 2jrl s SER 74 Ca 0.16 1.75 0.02 0.00 0.70 0.00 0.00 55.95 58.57 2jrl s SER 74 Cb 0.15 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2jrl s SER 74 CO 0.40 -0.84 -0.16 0.68 1.20 0.00 0.00 173.24 174.52 2jrl s VAL 75 N -2.39 1.51 0.05 4.45 -7.23 -1.15 -5.00 120.40 110.63 2jrl s VAL 75 Ca 0.63 -0.66 0.09 0.00 -1.81 0.00 0.00 61.98 60.23 2jrl s VAL 75 Cb -0.14 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 2jrl s VAL 75 CO 0.30 0.44 -0.26 -0.69 -0.31 0.00 0.00 175.10 174.58 2jrl s VAL 76 N 0.91 2.19 -0.24 1.32 1.01 -1.13 -2.21 120.40 122.25 2jrl s VAL 76 Ca -0.08 -1.40 -0.08 0.00 0.00 0.00 0.00 61.98 60.42 2jrl s VAL 76 Cb -0.15 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2jrl s VAL 76 CO -0.00 0.35 0.10 -0.63 0.00 0.00 0.00 175.10 174.92 2jrl s ILE 77 N -0.83 4.68 -0.23 2.22 1.09 0.65 -1.67 121.20 127.11 2jrl s ILE 77 Ca 0.12 -0.05 -0.14 0.00 -1.10 0.00 0.00 60.65 59.48 2jrl s ILE 77 Cb -0.10 -3.18 -0.04 0.00 -1.06 0.00 0.00 42.46 38.07 2jrl s ILE 77 CO 0.02 0.34 0.34 -0.69 -0.10 0.00 0.00 174.94 174.85 2jrl s VAL 78 N 1.39 5.23 0.08 2.92 1.01 -1.19 -1.44 120.40 128.38 2jrl s VAL 78 Ca 0.06 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.65 2jrl s VAL 78 Cb -0.15 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2jrl s VAL 78 CO 0.05 0.24 -0.18 0.27 0.00 0.00 0.00 175.10 175.48 2jrl s ILE 79 N 1.49 1.46 0.01 2.22 -4.36 -1.21 -3.34 121.20 117.46 2jrl s ILE 79 Ca 0.15 -1.36 -0.15 0.00 -0.26 0.00 0.00 60.65 59.03 2jrl s ILE 79 Cb -0.15 -1.33 0.02 0.00 1.25 0.00 0.00 42.46 42.25 2jrl s ILE 79 CO 0.08 -0.07 0.31 0.28 0.24 0.00 0.00 174.94 175.79 2jrl s THR 80 N -1.11 0.07 -0.66 8.37 -1.32 -1.14 0.51 115.64 120.35 2jrl s THR 80 Ca 0.03 -0.54 0.18 0.00 -1.21 0.00 0.00 61.69 60.16 2jrl s THR 80 Cb -0.10 -0.74 -0.22 0.00 -1.51 0.00 0.00 72.50 69.93 2jrl s THR 80 CO 0.03 -0.30 0.69 0.61 -2.21 0.00 0.00 174.62 173.44 2jrl n GLY 81 N 1.01 -0.76 0.13 6.08 0.00 -1.26 0.16 105.19 110.54 2jrl n GLY 81 Ca -0.20 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.33 2jrl n GLY 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2jrl h HIS 82 N 0.00 0.00 -2.63 1.61 3.86 -1.99 -3.43 115.15 112.57 2jrl h HIS 82 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jrl h HIS 82 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2jrl h HIS 82 CO 0.00 0.52 -0.63 0.41 0.86 0.00 0.00 177.93 179.09 2jrl n GLY 83 N 1.24 -4.27 0.00 2.45 0.00 -1.26 -5.09 105.19 98.27 2jrl n GLY 83 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.49 0.00 -0.16 1.61 2.88 -1.26 -5.05 113.62 111.15 2jrl n SER 84 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 2jrl n SER 84 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 1.16 0.29 2.46 3.04 -1.98 0.14 116.25 121.36 2jrl h VAL 85 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2jrl h VAL 85 Cb 0.00 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 29.82 2jrl h VAL 85 CO 0.00 0.17 -0.33 0.44 -1.01 0.00 0.00 177.57 176.84 2jrl h ASP 86 N 0.63 -0.91 0.19 3.17 3.32 -2.01 -1.54 116.42 119.27 2jrl h ASP 86 Ca 0.17 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 2jrl h ASP 86 Cb 0.03 0.31 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 2jrl h ASP 86 CO -0.03 -0.46 -0.13 0.74 -1.72 0.00 0.00 179.24 177.64 2jrl h THR 87 N -0.67 0.92 0.25 0.35 2.02 -1.95 -2.89 112.91 110.94 2jrl h THR 87 Ca -0.01 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2jrl h THR 87 Cb 0.62 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2jrl h THR 87 CO -0.09 0.13 -0.12 0.00 0.37 0.00 0.00 175.52 175.82 2jrl h ALA 88 N 1.87 -0.33 0.45 6.16 0.00 -0.15 -1.43 119.26 125.83 2jrl h ALA 88 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jrl h ALA 88 Cb 0.27 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jrl h ALA 88 CO 0.02 -0.61 -0.45 0.28 0.00 0.00 0.00 179.25 178.49 2jrl h VAL 89 N -0.49 0.00 -0.31 0.00 2.07 -1.11 -0.96 116.25 115.45 2jrl h VAL 89 Ca -0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2jrl h VAL 89 Cb 0.37 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2jrl h VAL 89 CO 0.06 0.00 0.38 0.07 0.02 0.00 0.00 177.57 178.10 2jrl h LYS 90 N -0.90 0.00 0.00 1.57 2.10 -1.59 0.82 116.57 118.57 2jrl h LYS 90 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 2jrl h LYS 90 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2jrl h LYS 90 CO -0.06 0.00 -0.15 0.00 -2.00 0.00 0.00 179.45 177.25 2jrl n ALA 91 N -2.27 2.43 0.00 0.07 0.00 -0.48 -2.90 120.51 117.36 2jrl n ALA 91 Ca 0.05 -0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.25 2jrl n ALA 91 Cb 0.53 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.44 2jrl n ALA 91 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2jrl h ILE 92 N 0.00 0.74 0.00 0.00 1.08 0.18 -2.59 117.51 116.92 2jrl h ILE 92 Ca 0.00 -2.49 0.00 0.00 -0.39 0.00 0.00 64.86 61.98 2jrl h ILE 92 Cb 0.75 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 2jrl h ILE 92 CO 0.00 0.76 0.00 0.11 -0.69 0.00 0.00 178.15 178.33 2jrl h LYS 93 N 0.05 0.00 0.23 2.37 1.57 -1.48 -3.31 116.57 116.00 2jrl h LYS 93 Ca -0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 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 0.09 0.00 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.64 2jrl h LYS 94 N 0.00 -0.30 0.00 3.15 1.63 -1.66 -3.47 116.57 115.92 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 0.77 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.46 2jrl h LYS 94 CO 0.00 -0.20 -0.00 0.41 -3.45 0.00 0.00 179.45 176.20 2jrl n GLY 95 N 0.81 -0.12 3.58 5.01 0.00 -1.25 -4.87 105.19 108.35 2jrl n GLY 95 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 3.53 0.19 4.61 0.00 -0.98 -2.84 121.76 126.26 2jrl s ALA 96 Ca 0.00 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 2jrl s ALA 96 Cb 0.00 -2.56 0.10 0.00 0.00 0.00 0.00 23.12 20.66 2jrl s ALA 96 CO 0.00 -0.68 1.54 -0.92 0.00 0.00 0.00 175.76 175.70 2jrl h TYR 97 N 8.38 0.87 -3.23 0.00 3.20 -1.63 -3.41 116.97 121.16 2jrl h TYR 97 Ca -0.34 -0.26 -0.12 0.00 3.14 0.00 0.00 58.73 61.15 2jrl h TYR 97 Cb 1.18 -0.18 -0.20 0.00 1.54 0.00 0.00 36.73 39.07 2jrl h TYR 97 CO 0.73 1.01 -0.34 -2.00 -1.64 0.00 0.00 178.16 175.92 2jrl s GLU 98 N -4.31 0.63 -0.25 1.82 2.56 -1.26 -5.09 118.70 112.81 2jrl s GLU 98 Ca -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 54.97 54.56 2jrl s GLU 98 Cb 0.12 0.27 0.03 0.00 2.00 0.00 0.00 34.13 36.55 2jrl s GLU 98 CO 0.85 -0.17 -0.08 0.12 -0.56 0.00 0.00 175.26 175.42 2jrl s PHE 99 N -1.55 3.09 -0.07 5.30 2.19 -1.26 -3.20 117.98 122.47 2jrl s PHE 99 Ca -0.13 -1.70 0.04 0.00 0.33 0.00 0.00 56.93 55.47 2jrl s PHE 99 Cb -0.05 -2.03 0.00 0.00 -1.31 0.00 0.00 43.02 39.63 2jrl s PHE 99 CO 0.02 -0.77 -0.19 -0.51 1.83 0.00 0.00 175.22 175.61 2jrl s LEU 100 N 1.28 1.91 0.00 6.12 1.43 -1.21 -5.06 118.68 123.15 2jrl s LEU 100 Ca -0.01 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 2jrl s LEU 100 Cb -0.17 -1.10 0.22 0.00 0.03 0.00 0.00 46.19 45.17 2jrl s LEU 100 CO -0.05 0.13 0.50 -0.62 0.23 0.00 0.00 176.35 176.55 2jrl n GLU 101 N 3.41 -3.61 0.31 1.70 1.02 -1.26 -2.91 120.64 119.31 2jrl n GLU 101 Ca -0.20 -0.84 -0.14 0.00 -0.02 0.00 0.00 57.16 55.96 2jrl n GLU 101 Cb 0.52 -1.08 -0.07 0.00 -0.02 0.00 0.00 31.44 30.79 2jrl n GLU 101 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jrl h LYS 102 N 0.00 -0.83 -6.46 3.49 1.63 -0.56 -3.41 116.57 110.43 2jrl h LYS 102 Ca -0.23 0.06 -0.54 0.00 -0.85 0.00 0.00 60.65 59.09 2jrl h LYS 102 Cb 0.76 0.19 0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2jrl h LYS 102 CO 0.14 -0.55 0.78 -1.25 -3.45 0.00 0.00 179.45 175.11 2jrl s PRO 103 N -5.08 4.30 -0.02 1.90 0.04 -1.26 -4.99 135.00 129.89 2jrl s PRO 103 Ca -0.14 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 2jrl s PRO 103 Cb 0.02 -3.42 0.04 0.00 0.04 0.00 0.00 34.50 31.18 2jrl s PRO 103 CO 0.43 -0.50 0.43 -0.59 0.04 0.00 0.00 177.00 176.80 2jrl s PHE 104 N 1.75 -0.33 0.13 0.56 -0.12 -1.26 -5.11 117.98 113.61 2jrl s PHE 104 Ca 0.65 0.50 0.05 0.00 -0.05 0.00 0.00 56.93 58.08 2jrl s PHE 104 Cb -0.34 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 2jrl s PHE 104 CO 0.29 -0.48 0.04 -1.12 -0.05 0.00 0.00 175.22 173.90 2jrl s SER 105 N -1.39 5.14 0.56 1.98 0.01 -1.26 -4.94 113.70 113.79 2jrl s SER 105 Ca -0.12 -0.21 0.32 0.00 1.31 0.00 0.00 55.95 57.26 2jrl s SER 105 Cb -0.03 -1.24 1.47 0.00 0.21 0.00 0.00 66.02 66.43 2jrl s SER 105 CO 0.05 0.12 1.83 1.62 0.41 0.00 0.00 173.24 177.27 2jrl h VAL 106 N 2.50 0.42 0.11 3.43 3.04 -2.02 0.52 116.25 124.25 2jrl h VAL 106 Ca -0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2jrl h VAL 106 Cb 1.18 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2jrl h VAL 106 CO 0.61 0.00 -0.05 -0.08 -1.01 0.00 0.00 177.57 177.04 2jrl h GLU 107 N 0.00 -0.14 0.00 4.17 4.81 -1.99 0.27 114.58 121.70 2jrl h GLU 107 Ca 0.42 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.48 2jrl h GLU 107 Cb 1.84 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.23 2jrl h GLU 107 CO -0.00 -0.03 -1.04 -0.09 -0.73 0.00 0.00 179.01 177.12 2jrl h ARG 108 N -0.21 0.00 -0.04 1.92 9.65 -1.41 -3.05 114.38 121.24 2jrl h ARG 108 Ca -0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 2jrl h ARG 108 Cb 0.17 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.75 2jrl h ARG 108 CO 0.02 0.60 -0.05 0.35 2.80 0.00 0.00 179.97 183.70 2jrl h PHE 109 N 0.00 0.14 -0.62 2.20 3.04 0.02 -2.72 116.94 119.00 2jrl h PHE 109 Ca -0.08 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.74 2jrl h PHE 109 Cb 1.64 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 40.10 2jrl h PHE 109 CO 0.00 0.59 0.06 1.37 -2.02 0.00 0.00 178.31 178.31 2jrl h LEU 110 N -0.36 1.00 -1.79 0.59 8.10 -0.60 -2.55 115.31 119.71 2jrl h LEU 110 Ca 0.01 -0.25 -0.01 0.00 0.11 0.00 0.00 57.88 57.74 2jrl h LEU 110 Cb 0.57 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 2jrl h LEU 110 CO 0.01 1.02 0.03 0.25 -4.11 0.00 0.00 178.44 175.63 2jrl h LEU 111 N 0.96 0.14 -0.01 0.17 6.46 -1.56 -1.73 115.31 119.75 2jrl h LEU 111 Ca 0.19 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2jrl h LEU 111 Cb 0.47 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2jrl h LEU 111 CO 0.02 0.15 -0.00 0.74 -0.62 0.00 0.00 178.44 178.73 2jrl h THR 112 N 0.16 1.26 0.78 1.05 2.02 -1.12 -2.66 112.91 114.40 2jrl h THR 112 Ca 0.04 -0.77 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 2jrl h THR 112 Cb 0.07 1.77 0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2jrl h THR 112 CO -0.00 0.20 -0.37 0.40 0.37 0.00 0.00 175.52 176.12 2jrl h ILE 113 N -0.31 0.14 -0.94 3.11 1.08 -1.38 0.32 117.51 119.53 2jrl h ILE 113 Ca 0.00 -0.15 0.28 0.00 -0.39 0.00 0.00 64.86 64.60 2jrl h ILE 113 Cb 0.33 0.16 -0.16 0.00 -3.07 0.00 0.00 36.82 34.08 2jrl h ILE 113 CO 0.00 0.01 0.22 0.50 -0.69 0.00 0.00 178.15 178.19 2jrl h LYS 114 N -1.17 0.11 0.00 2.37 3.64 -1.42 1.00 116.57 121.09 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 0.82 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2jrl h LYS 114 CO 0.18 0.07 -0.78 0.45 -2.27 0.00 0.00 179.45 177.09 2jrl h HIS 115 N 0.11 0.00 -0.58 1.91 3.86 -1.34 -3.12 115.15 115.99 2jrl h HIS 115 Ca 0.62 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.91 2jrl h HIS 115 Cb 1.34 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.74 2jrl h HIS 115 CO -0.30 0.78 0.21 0.00 0.86 0.00 0.00 177.93 179.49 2jrl h ALA 116 N 1.22 0.73 0.19 2.45 0.00 0.50 -0.33 119.26 124.02 2jrl h ALA 116 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2jrl h ALA 116 Cb 1.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2jrl h ALA 116 CO 0.10 -0.19 -0.09 0.74 0.00 0.00 0.00 179.25 179.81 2jrl h PHE 117 N 0.40 -0.24 -0.96 0.00 -1.00 -1.48 -2.31 116.94 111.34 2jrl h PHE 117 Ca 0.29 -0.01 0.27 0.00 2.81 0.00 0.00 57.97 61.33 2jrl h PHE 117 Cb 0.34 0.08 -0.18 0.00 3.61 0.00 0.00 35.95 39.80 2jrl h PHE 117 CO -0.17 -0.15 0.05 0.39 -1.61 0.00 0.00 178.31 176.82 2jrl n GLU 118 N -3.96 -0.08 0.05 1.51 1.02 -1.18 0.13 120.64 118.13 2jrl n GLU 118 Ca -0.03 1.44 -0.13 0.00 -0.02 0.00 0.00 57.16 58.42 2jrl n GLU 118 Cb 0.10 -2.30 -0.09 0.00 -0.02 0.00 0.00 31.44 29.13 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 -0.11 -1.00 3.49 4.57 -1.15 -3.03 114.58 117.35 2jrl h GLU 119 Ca 0.60 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.99 2jrl h GLU 119 Cb 1.25 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 29.77 2jrl h GLU 119 CO -0.90 0.19 0.62 -0.92 -1.18 0.00 0.00 179.01 176.82 2jrl h TYR 120 N -0.42 0.97 0.00 0.92 3.20 0.29 -3.51 116.97 118.41 2jrl h TYR 120 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jrl h TYR 120 Cb 0.36 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.34 2jrl h TYR 120 CO 0.03 0.18 0.00 0.45 -1.64 0.00 0.00 178.16 177.18