#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 2.49 -2.67 2.12 4.76 -1.26 -4.77 118.16 118.83 2jrl n LYS 2 Ca 0.00 -2.76 -0.42 0.00 -2.87 0.00 0.00 58.31 52.26 2jrl n LYS 2 Cb 0.00 -2.15 -0.03 0.00 -1.84 0.00 0.00 35.03 31.01 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 -2.73 3.28 -0.05 1.97 0.52 -1.26 -1.63 118.95 119.04 2jrl s ARG 3 Ca 0.54 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.57 2jrl s ARG 3 Cb 0.40 -4.12 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 2jrl s ARG 3 CO -0.25 -1.85 -0.21 0.08 0.02 0.00 0.00 175.30 173.09 2jrl s VAL 4 N 4.89 2.45 -0.20 3.52 1.01 -1.02 -3.81 120.40 127.24 2jrl s VAL 4 Ca 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2jrl s VAL 4 Cb -0.10 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2jrl s VAL 4 CO 0.17 0.57 -0.16 -0.22 0.00 0.00 0.00 175.10 175.47 2jrl s LEU 5 N -0.37 2.47 -0.40 3.92 2.96 -1.23 -2.02 118.68 124.02 2jrl s LEU 5 Ca 0.03 -0.72 -0.17 0.00 -0.22 0.00 0.00 54.13 53.05 2jrl s LEU 5 Cb -0.12 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.04 2jrl s LEU 5 CO 0.02 -0.04 0.46 -0.69 -1.32 0.00 0.00 176.35 174.78 2jrl s VAL 6 N 1.30 5.06 -0.38 1.68 1.01 0.89 -1.11 120.40 128.85 2jrl s VAL 6 Ca 0.03 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.71 2jrl s VAL 6 Cb -0.14 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2jrl s VAL 6 CO -0.10 -0.35 0.50 -0.69 0.00 0.00 0.00 175.10 174.46 2jrl s VAL 7 N 2.23 5.02 -0.29 2.92 1.01 0.23 -2.64 120.40 128.87 2jrl s VAL 7 Ca 0.14 0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 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 0.14 -0.32 0.76 -1.81 0.00 0.00 0.00 175.10 173.87 2jrl s ASP 8 N 1.81 -0.88 0.00 3.32 1.01 -0.25 -2.94 116.67 118.74 2jrl s ASP 8 Ca 0.17 1.33 0.06 0.00 0.71 0.00 0.00 52.55 54.82 2jrl s ASP 8 Cb -0.16 1.59 0.36 0.00 1.01 0.00 0.00 42.92 45.72 2jrl s ASP 8 CO 0.14 -0.20 0.82 -0.90 0.21 0.00 0.00 175.17 175.24 2jrl n ASP 9 N 4.52 0.00 -4.15 0.27 5.75 -1.25 -4.28 116.55 117.40 2jrl n ASP 9 Ca -0.17 -0.80 -0.39 0.00 -0.01 0.00 0.00 54.79 53.43 2jrl n ASP 9 Cb 0.56 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.57 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 2.85 0.64 0.11 2.56 -1.26 -4.91 118.70 116.70 2jrl s GLU 10 Ca 0.09 -2.56 0.34 0.00 0.00 0.00 0.00 54.97 52.85 2jrl s GLU 10 Cb 0.04 -3.91 1.90 0.00 2.00 0.00 0.00 34.13 34.16 2jrl s GLU 10 CO 0.07 -1.21 2.12 1.49 -0.56 0.00 0.00 175.26 177.17 2jrl h GLU 11 N 7.15 0.00 -0.26 4.30 4.81 -1.99 -1.06 114.58 127.53 2jrl h GLU 11 Ca 0.02 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2jrl h GLU 11 Cb 0.97 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2jrl h GLU 11 CO 0.72 0.00 -0.04 1.03 -0.73 0.00 0.00 179.01 179.99 2jrl h SER 12 N 0.00 0.48 0.22 1.04 0.87 -1.94 -1.84 113.55 112.38 2jrl h SER 12 Ca 0.03 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2jrl h SER 12 Cb 0.41 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2jrl h SER 12 CO -0.00 0.72 -0.11 0.40 -0.53 0.00 0.00 176.83 177.31 2jrl h ILE 13 N 0.24 0.38 -1.06 2.23 1.08 -1.63 -3.21 117.51 115.54 2jrl h ILE 13 Ca 0.07 -0.95 0.28 0.00 -0.39 0.00 0.00 64.86 63.87 2jrl h ILE 13 Cb 0.50 0.66 -0.08 0.00 -3.07 0.00 0.00 36.82 34.82 2jrl h ILE 13 CO 0.02 0.11 0.70 0.71 -0.69 0.00 0.00 178.15 179.00 2jrl h THR 14 N -1.01 0.50 -0.43 -0.27 1.35 -1.52 0.52 112.91 112.04 2jrl h THR 14 Ca -0.03 -0.10 -0.04 0.00 -0.55 0.00 0.00 66.41 65.68 2jrl h THR 14 Cb 0.40 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.97 2jrl h THR 14 CO 0.05 0.06 0.09 -1.28 -0.25 0.00 0.00 175.52 174.19 2jrl h SER 15 N 0.30 0.59 0.07 5.36 0.87 -1.38 0.10 113.55 119.46 2jrl h SER 15 Ca 0.59 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 61.05 2jrl h SER 15 Cb 1.66 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2jrl h SER 15 CO -0.24 0.60 -0.03 -1.28 -0.53 0.00 0.00 176.83 175.35 2jrl h SER 16 N 0.62 -0.08 0.07 6.23 0.87 -0.02 -2.99 113.55 118.27 2jrl h SER 16 Ca 0.14 -0.49 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2jrl h SER 16 Cb 0.25 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2jrl h SER 16 CO -0.00 0.61 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.82 2jrl h LEU 17 N -0.93 0.00 -0.35 2.23 3.38 -1.25 -0.96 115.31 117.44 2jrl h LEU 17 Ca -0.01 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2jrl h LEU 17 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2jrl h LEU 17 CO 0.01 0.02 -0.83 0.77 0.09 0.00 0.00 178.44 178.50 2jrl h SER 18 N 0.00 0.07 -0.42 -0.43 4.64 -0.84 -2.09 113.55 114.48 2jrl h SER 18 Ca -0.00 -0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.12 2jrl h SER 18 Cb 0.06 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 2jrl h SER 18 CO 0.00 0.87 -0.28 0.00 -0.87 0.00 0.00 176.83 176.55 2jrl h ALA 19 N 1.13 0.60 0.01 5.18 0.00 -1.01 -1.21 119.26 123.96 2jrl h ALA 19 Ca -0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.25 2jrl h ALA 19 Cb 1.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jrl h ALA 19 CO 0.11 0.63 -0.95 0.82 0.00 0.00 0.00 179.25 179.86 2jrl h ILE 20 N 0.76 1.44 -0.31 0.00 1.08 -1.55 -2.66 117.51 116.26 2jrl h ILE 20 Ca 0.08 -2.56 -0.08 0.00 -0.39 0.00 0.00 64.86 61.92 2jrl h ILE 20 Cb 0.87 2.48 -0.01 0.00 -3.07 0.00 0.00 36.82 37.09 2jrl h ILE 20 CO 0.08 0.76 -0.12 0.25 -0.69 0.00 0.00 178.15 178.42 2jrl h LEU 21 N 0.18 0.64 -1.28 1.44 5.85 -1.34 -2.74 115.31 118.07 2jrl h LEU 21 Ca -0.08 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 2jrl h LEU 21 Cb 1.60 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 2jrl h LEU 21 CO 0.16 0.89 -0.26 -0.08 -0.34 0.00 0.00 178.44 178.81 2jrl h GLU 22 N 0.39 0.00 -0.27 1.25 4.22 -1.28 -1.53 114.58 117.36 2jrl h GLU 22 Ca 0.07 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.36 2jrl h GLU 22 Cb 0.64 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2jrl h GLU 22 CO 0.04 0.26 -0.46 1.49 -2.18 0.00 0.00 179.01 178.16 2jrl h GLU 23 N 0.00 0.70 0.00 1.92 4.81 -1.26 -2.61 114.58 118.14 2jrl h GLU 23 Ca -0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2jrl h GLU 23 Cb 0.68 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2jrl h GLU 23 CO 0.03 1.01 0.00 0.39 -0.73 0.00 0.00 179.01 179.72 2jrl n GLU 24 N -4.01 0.80 -0.05 1.92 4.71 -1.05 -4.81 120.64 118.14 2jrl n GLU 24 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 2jrl n GLU 24 Cb 0.56 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 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 0.49 0.79 3.77 0.62 0.00 -0.98 -5.06 105.19 104.82 2jrl n GLY 25 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.33 1.98 -0.54 1.61 2.02 -0.60 -4.91 117.35 114.59 2jrl s TYR 26 Ca 0.00 0.70 0.04 0.00 -0.37 0.00 0.00 57.07 57.44 2jrl s TYR 26 Cb 0.00 -3.52 0.14 0.00 -0.40 0.00 0.00 41.96 38.18 2jrl s TYR 26 CO 0.00 -2.71 0.31 -1.01 -1.57 0.00 0.00 175.55 170.57 2jrl s HIS 27 N -3.32 3.05 0.53 2.71 3.76 -0.65 -3.86 115.29 117.51 2jrl s HIS 27 Ca 0.67 -3.09 -0.20 0.00 -0.15 0.00 0.00 55.06 52.29 2jrl s HIS 27 Cb -0.12 -2.63 -0.06 0.00 1.11 0.00 0.00 32.58 30.88 2jrl s HIS 27 CO 0.54 -0.71 1.13 -1.25 -0.85 0.00 0.00 174.74 173.60 2jrl s PRO 28 N -0.43 3.43 0.15 8.40 0.04 -1.24 -2.43 135.00 142.92 2jrl s PRO 28 Ca 0.19 1.64 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2jrl s PRO 28 Cb -0.21 -2.08 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2jrl s PRO 28 CO -0.04 -0.79 -0.03 0.34 0.04 0.00 0.00 177.00 176.52 2jrl s ASP 29 N -1.70 1.31 0.02 6.66 2.15 -0.85 -4.91 116.67 119.35 2jrl s ASP 29 Ca 0.71 -1.11 0.05 0.00 0.43 0.00 0.00 52.55 52.63 2jrl s ASP 29 Cb -0.25 0.09 -0.02 0.00 -0.30 0.00 0.00 42.92 42.44 2jrl s ASP 29 CO 0.28 -0.50 -0.16 0.42 -0.17 0.00 0.00 175.17 175.04 2jrl s THR 30 N -3.59 1.25 -0.14 1.71 -4.23 -1.23 -0.08 115.64 109.33 2jrl s THR 30 Ca 0.20 -0.91 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 2jrl s THR 30 Cb 0.05 -1.09 0.06 0.00 1.34 0.00 0.00 72.50 72.87 2jrl s THR 30 CO 0.01 0.16 0.30 0.00 -0.54 0.00 0.00 174.62 174.56 2jrl s ALA 31 N -0.67 -0.72 -0.86 3.99 0.00 -1.08 -4.95 121.76 117.48 2jrl s ALA 31 Ca 0.04 1.11 0.25 0.00 0.00 0.00 0.00 51.96 53.36 2jrl s ALA 31 Cb -0.07 -0.99 0.49 0.00 0.00 0.00 0.00 23.12 22.55 2jrl s ALA 31 CO 0.01 -0.53 1.41 0.36 0.00 0.00 0.00 175.76 177.01 2jrl n LYS 32 N 5.02 0.11 -3.86 0.00 0.00 -1.26 -1.09 118.16 117.07 2jrl n LYS 32 Ca -0.12 0.03 -0.12 0.00 -0.00 0.00 0.00 58.31 58.10 2jrl n LYS 32 Cb 0.51 -1.57 -0.14 0.00 -0.00 0.00 0.00 35.03 33.83 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 -3.06 -0.00 0.03 0.58 -4.23 -1.26 -4.59 115.64 103.10 2jrl s THR 33 Ca 0.09 0.01 -0.27 0.00 -1.18 0.00 0.00 61.69 60.35 2jrl s THR 33 Cb 0.16 -0.03 -0.17 0.00 1.34 0.00 0.00 72.50 73.80 2jrl s THR 33 CO 0.70 0.00 1.35 -0.07 -0.54 0.00 0.00 174.62 176.07 2jrl h LEU 34 N 6.19 -0.45 -1.00 4.79 -0.00 -1.94 -2.94 115.31 119.96 2jrl h LEU 34 Ca -0.25 -0.10 0.34 0.00 -0.00 0.00 0.00 57.88 57.87 2jrl h LEU 34 Cb 1.20 0.12 -0.18 0.00 -0.00 0.00 0.00 40.66 41.80 2jrl h LEU 34 CO 0.50 -0.15 0.27 0.08 -0.00 0.00 0.00 178.44 179.15 2jrl h ARG 35 N -0.77 0.00 -0.67 1.13 -0.00 -1.98 1.34 114.38 113.43 2jrl h ARG 35 Ca -0.05 -0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 59.86 2jrl h ARG 35 Cb 0.52 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.47 2jrl h ARG 35 CO 0.09 0.00 0.16 1.49 -0.00 0.00 0.00 179.97 181.71 2jrl h GLU 36 N 0.00 1.08 0.00 0.08 4.57 -1.97 -2.17 114.58 116.17 2jrl h GLU 36 Ca 0.72 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 2jrl h GLU 36 Cb 1.73 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 30.18 2jrl h GLU 36 CO -0.85 0.96 -0.03 0.00 -1.18 0.00 0.00 179.01 177.91 2jrl h ALA 37 N 1.07 0.99 0.06 2.92 0.00 0.17 -3.09 119.26 121.38 2jrl h ALA 37 Ca 0.21 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 2jrl h ALA 37 Cb 0.37 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.18 2jrl h ALA 37 CO 0.00 0.04 -1.08 0.93 0.00 0.00 0.00 179.25 179.14 2jrl h GLU 38 N 0.00 0.63 -0.09 0.00 5.08 0.03 -1.33 114.58 118.90 2jrl h GLU 38 Ca -0.00 -0.76 -0.00 0.00 -1.00 0.00 0.00 59.36 57.60 2jrl h GLU 38 Cb 0.71 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2jrl h GLU 38 CO 0.00 1.33 0.04 0.87 -1.00 0.00 0.00 179.01 180.25 2jrl h LYS 39 N 0.27 0.14 -0.11 2.33 1.79 -1.36 -2.24 116.57 117.39 2jrl h LYS 39 Ca -0.15 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.16 2jrl h LYS 39 Cb 1.75 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 32.37 2jrl h LYS 39 CO 0.21 0.24 -0.52 1.57 -1.08 0.00 0.00 179.45 179.87 2jrl h LYS 40 N 0.00 0.30 -0.94 3.15 2.10 -1.64 -2.57 116.57 116.97 2jrl h LYS 40 Ca 0.03 -0.18 0.01 0.00 -2.00 0.00 0.00 60.65 58.52 2jrl h LYS 40 Cb 0.15 0.02 -0.05 0.00 -0.90 0.00 0.00 32.23 31.45 2jrl h LYS 40 CO -0.00 0.75 0.62 0.82 -2.00 0.00 0.00 179.45 179.63 2jrl h ILE 41 N 0.23 1.23 -0.01 0.07 2.04 -1.05 -0.57 117.51 119.45 2jrl h ILE 41 Ca 0.01 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2jrl h ILE 41 Cb 1.00 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2jrl h ILE 41 CO 0.08 0.23 -0.01 0.29 0.00 0.00 0.00 178.15 178.74 2jrl n LYS 42 N -4.44 1.47 -0.03 2.37 5.02 -0.86 -3.45 118.16 118.24 2jrl n LYS 42 Ca 0.11 -0.73 0.07 0.00 -2.02 0.00 0.00 58.31 55.73 2jrl n LYS 42 Cb 0.03 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.63 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 -0.12 1.18 -3.82 1.97 0.28 -0.34 -5.02 120.64 114.77 2jrl n GLU 43 Ca 0.20 -1.44 -0.08 0.00 -0.16 0.00 0.00 57.16 55.67 2jrl n GLU 43 Cb 0.30 -1.27 -0.03 0.00 1.43 0.00 0.00 31.44 31.87 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 -1.12 -0.09 -0.25 -1.84 2.34 -0.49 -5.03 118.68 112.20 2jrl s LEU 44 Ca 0.18 -0.59 -0.15 0.00 0.06 0.00 0.00 54.13 53.63 2jrl s LEU 44 Cb 0.12 2.39 -0.04 0.00 -0.56 0.00 0.00 46.19 48.10 2jrl s LEU 44 CO 0.17 -1.21 0.36 0.12 -1.06 0.00 0.00 176.35 174.74 2jrl s PHE 45 N -3.91 3.28 -0.18 3.48 2.19 -1.26 -4.75 117.98 116.83 2jrl s PHE 45 Ca 0.12 0.43 0.01 0.00 0.33 0.00 0.00 56.93 57.82 2jrl s PHE 45 Cb -0.03 -2.53 0.03 0.00 -1.31 0.00 0.00 43.02 39.17 2jrl s PHE 45 CO 0.03 -0.16 -0.13 -0.59 1.83 0.00 0.00 175.22 176.20 2jrl s PHE 46 N 1.82 2.38 -0.02 10.12 -0.71 -1.26 -4.94 117.98 125.37 2jrl s PHE 46 Ca 0.15 -1.46 -0.22 0.00 -1.04 0.00 0.00 56.93 54.36 2jrl s PHE 46 Cb -0.15 -1.66 -0.14 0.00 -1.21 0.00 0.00 43.02 39.85 2jrl s PHE 46 CO 0.09 -0.72 0.98 -1.00 -1.34 0.00 0.00 175.22 173.23 2jrl h PRO 47 N 8.00 -0.42 -4.61 1.99 0.13 -1.86 -3.45 132.00 131.78 2jrl h PRO 47 Ca -0.34 0.03 -0.40 0.00 -0.87 0.00 0.00 66.00 64.42 2jrl h PRO 47 Cb 1.12 0.10 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 2jrl h PRO 47 CO 0.52 -0.09 -0.78 0.14 -0.23 0.00 0.00 178.00 177.56 2jrl s VAL 48 N -3.99 0.69 0.03 1.56 -7.23 -1.26 -2.76 120.40 107.44 2jrl s VAL 48 Ca -0.12 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 2jrl s VAL 48 Cb 0.01 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.34 2jrl s VAL 48 CO 0.45 0.20 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.75 2jrl s ILE 49 N -0.04 0.43 -0.25 -0.62 1.01 -0.75 -3.47 121.20 117.51 2jrl s ILE 49 Ca 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 2jrl s ILE 49 Cb -0.05 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.95 2jrl s ILE 49 CO -0.00 -0.25 -0.02 -0.69 0.00 0.00 0.00 174.94 173.98 2jrl s VAL 50 N -1.00 3.40 -0.21 2.92 1.01 -0.27 -0.31 120.40 125.93 2jrl s VAL 50 Ca -0.07 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2jrl s VAL 50 Cb -0.07 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.71 2jrl s VAL 50 CO 0.00 0.28 -0.06 -0.22 0.00 0.00 0.00 175.10 175.10 2jrl s LEU 51 N 1.44 2.25 0.92 3.92 2.96 -0.02 0.74 118.68 130.90 2jrl s LEU 51 Ca 0.04 -1.00 -0.12 0.00 -0.22 0.00 0.00 54.13 52.82 2jrl s LEU 51 Cb -0.16 -1.11 0.14 0.00 0.50 0.00 0.00 46.19 45.56 2jrl s LEU 51 CO -0.02 -0.21 1.12 1.51 -1.32 0.00 0.00 176.35 177.43 2jrl s ASP 52 N 1.46 3.43 -0.10 3.68 -4.77 -1.15 -3.42 116.67 115.80 2jrl s ASP 52 Ca -0.03 1.09 -0.21 0.00 -3.30 0.00 0.00 52.55 50.10 2jrl s ASP 52 Cb -0.18 -1.72 -0.28 0.00 -1.09 0.00 0.00 42.92 39.65 2jrl s ASP 52 CO -0.07 -2.62 0.71 0.58 0.70 0.00 0.00 175.17 174.47 2jrl h VAL 53 N -1.54 1.37 -0.19 2.11 2.07 -0.74 -3.29 116.25 116.04 2jrl h VAL 53 Ca -0.51 -2.43 -0.18 0.00 0.82 0.00 0.00 66.70 64.40 2jrl h VAL 53 Cb 1.32 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 2jrl h VAL 53 CO 0.60 0.66 0.55 1.87 0.02 0.00 0.00 177.57 181.26 2jrl n TRP 54 N -4.19 1.42 -4.72 1.57 -0.00 -1.26 -3.71 117.44 106.56 2jrl n TRP 54 Ca -0.18 -0.66 -0.30 0.00 -0.00 0.00 0.00 57.50 56.36 2jrl n TRP 54 Cb 0.77 -2.42 -0.14 0.00 -0.00 0.00 0.00 31.31 29.52 2jrl n TRP 54 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 177.69 176.05 2jrl s MET 55 N 7.64 1.80 -0.01 5.87 -1.94 -1.26 -4.61 119.30 126.79 2jrl s MET 55 Ca 0.76 -1.12 -0.25 0.00 -1.71 0.00 0.00 55.69 53.36 2jrl s MET 55 Cb -0.01 -2.03 -0.20 0.00 2.01 0.00 0.00 34.83 34.60 2jrl s MET 55 CO 0.18 0.51 1.28 -1.00 -0.01 0.00 0.00 175.02 175.98 2jrl h PRO 56 N 4.50 0.04 0.33 2.03 0.13 -1.89 -3.33 132.00 133.81 2jrl h PRO 56 Ca -0.48 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.52 -0.16 -0.44 -0.23 0.00 0.00 178.00 178.13 2jrl h ASP 57 N -0.43 -0.37 -3.75 1.44 5.19 -1.97 -3.48 116.42 113.05 2jrl h ASP 57 Ca 0.00 -0.08 0.20 0.00 -0.62 0.00 0.00 57.03 56.54 2jrl h ASP 57 Cb 0.51 0.10 -0.23 0.00 0.18 0.00 0.00 39.33 39.88 2jrl h ASP 57 CO 0.00 -0.15 0.80 -0.83 -3.12 0.00 0.00 179.24 175.94 2jrl s GLY 58 N -2.38 -0.13 0.94 2.75 0.00 -1.25 -5.09 107.32 102.16 2jrl s GLY 58 Ca -0.15 2.21 -0.15 0.00 0.00 0.00 0.00 44.72 46.63 2jrl s GLY 58 CO 0.61 0.90 -0.21 1.22 0.00 0.00 0.00 173.10 175.62 2jrl n ASP 59 N 0.37 -4.05 0.01 1.64 8.00 -1.26 -4.49 116.55 116.76 2jrl n ASP 59 Ca -0.03 0.29 -0.12 0.00 0.71 0.00 0.00 54.79 55.64 2jrl n ASP 59 Cb 0.58 -0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 40.57 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 -1.15 0.10 0.40 0.44 0.00 -1.64 -3.23 103.07 97.99 2jrl h GLY 60 Ca -0.44 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 46.72 2jrl h GLY 60 CO 0.29 0.21 0.06 -2.08 0.00 0.00 0.00 176.54 175.03 2jrl h VAL 61 N 0.02 0.73 0.00 4.60 2.07 -1.89 -0.93 116.25 120.85 2jrl h VAL 61 Ca -0.26 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2jrl h VAL 61 Cb 1.99 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2jrl h VAL 61 CO 0.10 0.03 -0.46 -1.13 0.02 0.00 0.00 177.57 176.13 2jrl h ASN 62 N 0.19 0.00 -0.31 0.57 -1.24 -1.96 -3.09 115.58 109.74 2jrl h ASN 62 Ca 0.22 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 2jrl h ASN 62 Cb 0.29 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 2jrl h ASN 62 CO -0.31 0.46 0.20 0.15 -1.29 0.00 0.00 177.43 176.64 2jrl h PHE 63 N 0.00 0.41 -0.77 0.67 3.57 -1.20 -2.44 116.94 117.17 2jrl h PHE 63 Ca -0.00 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.66 2jrl h PHE 63 Cb 1.06 -0.14 -0.10 0.00 2.79 0.00 0.00 35.95 39.56 2jrl h PHE 63 CO 0.00 0.27 0.28 0.82 -2.23 0.00 0.00 178.31 177.44 2jrl h ILE 64 N 0.43 0.58 -0.95 1.41 2.04 -1.36 -0.86 117.51 118.79 2jrl h ILE 64 Ca 0.12 -0.13 0.30 0.00 1.00 0.00 0.00 64.86 66.15 2jrl h ILE 64 Cb -0.03 0.17 -0.18 0.00 -0.74 0.00 0.00 36.82 36.04 2jrl h ILE 64 CO -0.02 0.07 0.16 -0.67 0.00 0.00 0.00 178.15 177.69 2jrl n ASP 65 N -5.06 0.02 -0.08 1.72 2.03 -0.92 0.91 116.55 115.17 2jrl n ASP 65 Ca 0.16 1.61 -0.12 0.00 0.52 0.00 0.00 54.79 56.96 2jrl n ASP 65 Cb 0.47 -0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 40.18 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 0.46 0.29 -0.67 3.57 -1.34 -2.69 116.94 116.56 2jrl h PHE 66 Ca 0.65 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 62.04 2jrl h PHE 66 Cb 1.47 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.09 2jrl h PHE 66 CO -0.35 0.63 -0.15 0.82 -2.23 0.00 0.00 178.31 177.03 2jrl h ILE 67 N 0.16 0.69 0.00 1.41 2.04 0.56 -0.92 117.51 121.44 2jrl h ILE 67 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2jrl h ILE 67 Cb 0.47 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2jrl h ILE 67 CO 0.02 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.46 2jrl n LYS 68 N -5.27 0.04 -0.02 2.37 4.76 0.65 0.13 118.16 120.82 2jrl n LYS 68 Ca -0.10 0.53 -0.20 0.00 -2.87 0.00 0.00 58.31 55.67 2jrl n LYS 68 Cb 0.19 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.60 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 -1.73 0.74 -0.53 1.97 2.13 -0.47 -3.94 120.64 118.80 2jrl n GLU 69 Ca -0.00 0.25 0.04 0.00 0.66 0.00 0.00 57.16 58.10 2jrl n GLU 69 Cb 0.02 -1.69 0.21 0.00 0.27 0.00 0.00 31.44 30.25 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 -3.43 2.75 0.00 4.31 0.23 -0.49 -4.79 115.26 113.84 2jrl n ASN 70 Ca -0.33 -3.45 0.00 0.00 -0.53 0.00 0.00 54.58 50.27 2jrl n ASN 70 Cb 1.04 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 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 -1.01 0.00 -0.11 0.53 2.88 0.35 -4.99 113.62 111.27 2jrl n SER 71 Ca 0.25 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 2jrl n SER 71 Cb 0.87 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.30 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 0.87 0.00 -1.46 0.13 -1.68 -2.84 132.00 127.02 2jrl h PRO 72 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 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 1.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.63 2jrl n ASP 73 N -4.12 0.00 -4.81 1.44 8.00 -1.26 -4.80 116.55 111.00 2jrl n ASP 73 Ca -0.03 0.35 -0.33 0.00 0.71 0.00 0.00 54.79 55.49 2jrl n ASP 73 Cb 0.52 -0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 41.17 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2jrl s SER 74 N -2.87 6.15 -0.11 -2.24 1.04 -1.07 -4.94 113.70 109.65 2jrl s SER 74 Ca 0.13 1.83 0.02 0.00 0.48 0.00 0.00 55.95 58.40 2jrl s SER 74 Cb 0.13 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.73 2jrl s SER 74 CO 0.35 -0.92 -0.15 -0.69 0.98 0.00 0.00 173.24 172.81 2jrl s VAL 75 N -2.28 1.53 0.07 5.02 1.01 -1.11 -5.00 120.40 119.64 2jrl s VAL 75 Ca 0.64 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.06 2jrl s VAL 75 Cb -0.15 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 2jrl s VAL 75 CO 0.29 0.45 -0.26 -0.69 0.00 0.00 0.00 175.10 174.88 2jrl s VAL 76 N 1.01 2.16 -0.20 2.92 1.01 -1.11 -1.81 120.40 124.38 2jrl s VAL 76 Ca -0.06 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.37 2jrl s VAL 76 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2jrl s VAL 76 CO -0.02 0.27 0.02 -0.63 0.00 0.00 0.00 175.10 174.74 2jrl s ILE 77 N -0.89 4.16 -0.23 2.22 1.09 0.57 -1.34 121.20 126.79 2jrl s ILE 77 Ca 0.12 -0.25 -0.12 0.00 -1.10 0.00 0.00 60.65 59.31 2jrl s ILE 77 Cb -0.10 -2.88 -0.05 0.00 -1.06 0.00 0.00 42.46 38.37 2jrl s ILE 77 CO 0.03 0.43 0.23 -0.69 -0.10 0.00 0.00 174.94 174.84 2jrl s VAL 78 N 0.86 5.31 0.01 2.92 1.01 -1.18 -0.84 120.40 128.48 2jrl s VAL 78 Ca 0.01 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.36 2jrl s VAL 78 Cb -0.14 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 2jrl s VAL 78 CO 0.02 0.31 -0.11 0.27 0.00 0.00 0.00 175.10 175.60 2jrl s ILE 79 N 1.17 0.85 -0.13 2.22 -4.36 -1.22 -3.16 121.20 116.57 2jrl s ILE 79 Ca 0.11 -0.60 -0.16 0.00 -0.26 0.00 0.00 60.65 59.74 2jrl s ILE 79 Cb -0.14 -0.74 0.04 0.00 1.25 0.00 0.00 42.46 42.87 2jrl s ILE 79 CO 0.06 0.14 0.42 0.28 0.24 0.00 0.00 174.94 176.08 2jrl s THR 80 N -0.45 0.01 -0.25 8.37 -1.32 -1.13 0.06 115.64 120.94 2jrl s THR 80 Ca 0.02 -0.09 0.20 0.00 -1.21 0.00 0.00 61.69 60.61 2jrl s THR 80 Cb -0.05 -0.63 0.08 0.00 -1.51 0.00 0.00 72.50 70.39 2jrl s THR 80 CO 0.00 -0.05 1.25 1.23 -2.21 0.00 0.00 174.62 174.84 2jrl h GLY 81 N 5.01 0.00 2.00 6.08 0.00 -1.88 -2.87 103.07 111.41 2jrl h GLY 81 Ca -0.27 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 2jrl h GLY 81 CO 0.27 0.00 -0.08 0.45 0.00 0.00 0.00 176.54 177.19 2jrl h HIS 82 N 0.00 0.00 -2.99 5.60 3.86 -1.99 -3.43 115.15 116.20 2jrl h HIS 82 Ca -0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2jrl h HIS 82 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2jrl h HIS 82 CO 0.00 0.08 -0.73 0.41 0.86 0.00 0.00 177.93 178.55 2jrl n GLY 83 N -1.23 -4.37 0.00 2.45 0.00 -1.24 -5.09 105.19 95.70 2jrl n GLY 83 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2jrl n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jrl n SER 84 N -0.69 0.00 -0.06 1.61 3.41 -1.26 -5.05 113.62 111.58 2jrl n SER 84 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 2jrl n SER 84 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2jrl n SER 84 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 2jrl h VAL 85 N 0.00 1.35 0.59 -3.33 3.04 -1.98 -1.47 116.25 114.45 2jrl h VAL 85 Ca 0.00 -1.43 -0.02 0.00 -1.01 0.00 0.00 66.70 64.24 2jrl h VAL 85 Cb 0.00 1.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2jrl h VAL 85 CO 0.00 0.43 -0.38 0.44 -1.01 0.00 0.00 177.57 177.05 2jrl h ASP 86 N 0.08 -0.97 0.06 3.17 5.19 -2.00 -1.33 116.42 120.62 2jrl h ASP 86 Ca 0.02 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 2jrl h ASP 86 Cb 0.79 0.29 -0.00 0.00 0.18 0.00 0.00 39.33 40.58 2jrl h ASP 86 CO 0.05 -0.59 -0.06 0.74 -3.12 0.00 0.00 179.24 176.26 2jrl h THR 87 N -0.93 1.03 -0.03 0.35 2.02 -1.97 -2.63 112.91 110.75 2jrl h THR 87 Ca -0.07 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2jrl h THR 87 Cb 0.76 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2jrl h THR 87 CO 0.06 0.06 0.01 0.00 0.37 0.00 0.00 175.52 176.02 2jrl h ALA 88 N 1.94 0.04 0.50 6.16 0.00 -0.76 -2.14 119.26 125.01 2jrl h ALA 88 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jrl h ALA 88 Cb 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jrl h ALA 88 CO 0.01 -0.35 -0.51 0.28 0.00 0.00 0.00 179.25 178.68 2jrl h VAL 89 N -0.15 0.00 -0.34 0.00 2.07 -0.89 -0.85 116.25 116.09 2jrl h VAL 89 Ca 0.01 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.63 2jrl h VAL 89 Cb 0.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 2jrl h VAL 89 CO -0.00 0.00 0.38 0.07 0.02 0.00 0.00 177.57 178.04 2jrl h LYS 90 N -1.02 0.00 0.00 1.57 2.10 -1.57 0.80 116.57 118.46 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 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 2jrl h LYS 90 CO -0.07 0.00 -0.20 0.00 -2.00 0.00 0.00 179.45 177.18 2jrl n ALA 91 N -2.32 2.54 0.03 0.07 0.00 -0.45 -2.89 120.51 117.49 2jrl n ALA 91 Ca 0.06 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.18 2jrl n ALA 91 Cb 0.54 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 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 0.81 0.00 0.00 1.08 0.19 -2.14 117.51 117.45 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 0.69 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.05 2jrl h ILE 92 CO 0.00 0.84 0.00 0.11 -0.69 0.00 0.00 178.15 178.41 2jrl h LYS 93 N 0.07 0.00 0.16 2.37 1.57 -1.52 -3.30 116.57 115.93 2jrl h LYS 93 Ca -0.36 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 2jrl h LYS 93 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2jrl h LYS 93 CO 0.12 0.00 -0.08 -0.22 -0.57 0.00 0.00 179.45 178.71 2jrl h LYS 94 N 0.00 -0.21 0.00 3.15 1.63 -1.65 -3.47 116.57 116.02 2jrl h LYS 94 Ca 0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2jrl h LYS 94 Cb 0.75 0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2jrl h LYS 94 CO 0.00 -0.14 -0.01 0.41 -3.45 0.00 0.00 179.45 176.26 2jrl n GLY 95 N 1.08 0.16 3.57 5.01 0.00 -1.24 -4.89 105.19 108.89 2jrl n GLY 95 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 3.52 0.26 4.61 0.00 -0.80 -2.76 121.76 126.59 2jrl s ALA 96 Ca 0.00 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.89 2jrl s ALA 96 Cb 0.00 -2.58 0.31 0.00 0.00 0.00 0.00 23.12 20.85 2jrl s ALA 96 CO 0.00 -0.72 1.59 -0.92 0.00 0.00 0.00 175.76 175.71 2jrl h TYR 97 N 8.39 0.14 -2.59 0.00 3.20 -1.50 -3.41 116.97 121.21 2jrl h TYR 97 Ca -0.33 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.39 2jrl h TYR 97 Cb 1.17 -0.02 -0.19 0.00 1.54 0.00 0.00 36.73 39.23 2jrl h TYR 97 CO 0.73 0.69 -0.06 -2.00 -1.64 0.00 0.00 178.16 175.88 2jrl s GLU 98 N -3.68 0.86 -0.26 1.82 2.56 -1.26 -5.09 118.70 113.65 2jrl s GLU 98 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.97 54.90 2jrl s GLU 98 Cb 0.12 0.40 0.03 0.00 2.00 0.00 0.00 34.13 36.68 2jrl s GLU 98 CO 0.78 -0.26 -0.03 0.12 -0.56 0.00 0.00 175.26 175.31 2jrl s PHE 99 N -1.39 3.10 -0.07 5.30 5.36 -1.26 -3.08 117.98 125.95 2jrl s PHE 99 Ca -0.12 -1.48 0.04 0.00 -0.96 0.00 0.00 56.93 54.41 2jrl s PHE 99 Cb -0.03 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2jrl s PHE 99 CO 0.06 -0.71 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.42 2jrl s LEU 100 N 1.35 1.88 0.00 6.12 1.43 -1.19 -5.04 118.68 123.22 2jrl s LEU 100 Ca 0.00 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.54 2jrl s LEU 100 Cb -0.17 -1.08 0.23 0.00 0.03 0.00 0.00 46.19 45.21 2jrl s LEU 100 CO -0.03 0.12 0.61 -0.62 0.23 0.00 0.00 176.35 176.65 2jrl n GLU 101 N 3.50 -3.47 0.16 1.70 1.02 -1.26 -2.83 120.64 119.45 2jrl n GLU 101 Ca -0.20 -1.00 -0.09 0.00 -0.02 0.00 0.00 57.16 55.84 2jrl n GLU 101 Cb 0.52 -1.19 -0.05 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.50 -6.54 3.49 1.79 -1.78 -3.42 116.57 109.62 2jrl h LYS 102 Ca -0.26 0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 57.71 2jrl h LYS 102 Cb 0.85 0.11 0.02 0.00 -1.58 0.00 0.00 32.23 31.63 2jrl h LYS 102 CO 0.16 -0.33 0.70 -1.25 -1.08 0.00 0.00 179.45 177.65 2jrl s PRO 103 N -4.41 4.33 0.01 3.15 0.04 -1.26 -4.98 135.00 131.87 2jrl s PRO 103 Ca -0.09 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.80 2jrl s PRO 103 Cb 0.02 -3.26 0.03 0.00 0.04 0.00 0.00 34.50 31.34 2jrl s PRO 103 CO 0.30 -0.42 0.40 -0.59 0.04 0.00 0.00 177.00 176.74 2jrl s PHE 104 N 1.10 -0.28 0.09 0.56 -0.12 -1.26 -5.10 117.98 112.96 2jrl s PHE 104 Ca 0.64 0.36 0.05 0.00 -0.05 0.00 0.00 56.93 57.93 2jrl s PHE 104 Cb -0.36 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 2jrl s PHE 104 CO 0.30 -0.50 0.01 -1.12 -0.05 0.00 0.00 175.22 173.86 2jrl s SER 105 N -1.61 5.10 0.56 1.98 0.01 -1.26 -4.95 113.70 113.53 2jrl s SER 105 Ca -0.10 -0.16 0.33 0.00 1.31 0.00 0.00 55.95 57.34 2jrl s SER 105 Cb -0.02 -1.24 1.48 0.00 0.21 0.00 0.00 66.02 66.44 2jrl s SER 105 CO 0.02 0.17 1.81 1.62 0.41 0.00 0.00 173.24 177.27 2jrl h VAL 106 N 2.81 0.40 -0.10 3.43 3.04 -2.01 0.45 116.25 124.26 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 0.46 -0.00 0.00 -2.01 0.00 0.00 31.29 30.90 2jrl h VAL 106 CO 0.61 0.00 0.05 -0.08 -1.01 0.00 0.00 177.57 177.14 2jrl h GLU 107 N 0.00 0.14 0.00 4.17 4.81 -1.99 0.25 114.58 121.96 2jrl h GLU 107 Ca 0.45 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.44 2jrl h GLU 107 Cb 1.94 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.26 2jrl h GLU 107 CO -0.00 0.19 -1.21 -0.09 -0.73 0.00 0.00 179.01 177.16 2jrl h ARG 108 N 0.06 0.00 -0.09 1.92 9.65 -1.25 -3.04 114.38 121.63 2jrl h ARG 108 Ca 0.03 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2jrl h ARG 108 Cb 0.09 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2jrl h ARG 108 CO -0.01 0.71 -0.08 0.35 2.80 0.00 0.00 179.97 183.75 2jrl h PHE 109 N 0.00 0.25 -0.54 2.20 3.04 -0.15 -2.64 116.94 119.10 2jrl h PHE 109 Ca -0.11 -0.07 -0.10 0.00 3.98 0.00 0.00 57.97 61.67 2jrl h PHE 109 Cb 1.79 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 40.22 2jrl h PHE 109 CO 0.00 0.63 -0.05 1.37 -2.02 0.00 0.00 178.31 178.24 2jrl h LEU 110 N -0.20 0.95 -1.72 0.59 8.10 -0.64 -2.65 115.31 119.74 2jrl h LEU 110 Ca 0.02 -0.28 -0.01 0.00 0.11 0.00 0.00 57.88 57.71 2jrl h LEU 110 Cb 0.58 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 2jrl h LEU 110 CO 0.02 1.03 0.03 0.25 -4.11 0.00 0.00 178.44 175.66 2jrl h LEU 111 N 0.87 0.18 -0.03 0.17 6.46 -1.54 -1.75 115.31 119.67 2jrl h LEU 111 Ca 0.15 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.89 2jrl h LEU 111 Cb 0.58 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.46 2jrl h LEU 111 CO 0.04 0.20 -0.01 0.74 -0.62 0.00 0.00 178.44 178.79 2jrl h THR 112 N 0.20 1.28 0.84 1.05 2.02 -1.11 -2.65 112.91 114.54 2jrl h THR 112 Ca 0.05 -0.85 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 2jrl h THR 112 Cb 0.10 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2jrl h THR 112 CO -0.00 0.23 -0.40 0.40 0.37 0.00 0.00 175.52 176.11 2jrl h ILE 113 N -0.27 0.07 -0.92 3.11 1.08 -1.37 0.43 117.51 119.64 2jrl h ILE 113 Ca 0.01 -0.13 0.26 0.00 -0.39 0.00 0.00 64.86 64.61 2jrl h ILE 113 Cb 0.37 0.09 -0.16 0.00 -3.07 0.00 0.00 36.82 34.04 2jrl h ILE 113 CO 0.00 0.00 0.17 0.50 -0.69 0.00 0.00 178.15 178.14 2jrl h LYS 114 N -1.24 0.10 0.00 2.37 3.64 -1.42 0.88 116.57 120.89 2jrl h LYS 114 Ca -0.11 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 2jrl h LYS 114 Cb 0.87 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 2jrl h LYS 114 CO 0.19 0.07 -0.84 0.45 -2.27 0.00 0.00 179.45 177.04 2jrl h HIS 115 N 0.10 0.00 -0.71 1.91 3.86 -1.35 -3.15 115.15 115.82 2jrl h HIS 115 Ca 0.59 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.92 2jrl h HIS 115 Cb 1.25 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.64 2jrl h HIS 115 CO -0.34 0.84 0.29 0.00 0.86 0.00 0.00 177.93 179.59 2jrl h ALA 116 N 1.16 0.97 0.20 2.45 0.00 0.55 -0.13 119.26 124.45 2jrl h ALA 116 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jrl h ALA 116 Cb 1.54 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2jrl h ALA 116 CO 0.11 -0.17 -0.09 0.74 0.00 0.00 0.00 179.25 179.83 2jrl h PHE 117 N 0.46 -0.24 -1.00 0.00 -1.00 -1.49 -2.63 116.94 111.04 2jrl h PHE 117 Ca 0.37 -0.01 0.36 0.00 2.81 0.00 0.00 57.97 61.51 2jrl h PHE 117 Cb 0.51 0.08 -0.18 0.00 3.61 0.00 0.00 35.95 39.97 2jrl h PHE 117 CO -0.16 -0.15 0.34 0.39 -1.61 0.00 0.00 178.31 177.12 2jrl n GLU 118 N -4.12 -0.07 0.14 1.51 1.02 -1.18 -0.05 120.64 117.89 2jrl n GLU 118 Ca -0.03 1.42 -0.13 0.00 -0.02 0.00 0.00 57.16 58.40 2jrl n GLU 118 Cb 0.10 -2.43 -0.08 0.00 -0.02 0.00 0.00 31.44 29.01 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 -0.35 -1.03 3.49 4.57 -1.10 -3.04 114.58 117.11 2jrl h GLU 119 Ca 0.75 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 59.22 2jrl h GLU 119 Cb 1.86 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 30.44 2jrl h GLU 119 CO -0.83 -0.04 0.66 -0.92 -1.18 0.00 0.00 179.01 176.70 2jrl h TYR 120 N -0.70 0.67 0.00 0.92 5.03 -0.07 -3.52 116.97 119.31 2jrl h TYR 120 Ca -0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2jrl h TYR 120 Cb 0.48 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2jrl h TYR 120 CO 0.02 0.07 0.00 0.45 -1.32 0.00 0.00 178.16 177.38