#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 2.48 -2.88 2.12 4.76 -1.26 -4.78 118.16 118.60 2jrl n LYS 2 Ca 0.00 -2.37 -0.43 0.00 -2.87 0.00 0.00 58.31 52.64 2jrl n LYS 2 Cb 0.00 -2.16 -0.04 0.00 -1.84 0.00 0.00 35.03 30.98 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 -1.65 3.33 -0.01 1.97 0.52 -1.26 -1.79 118.95 120.05 2jrl s ARG 3 Ca 0.59 -0.29 0.07 0.00 -0.52 0.00 0.00 55.73 55.58 2jrl s ARG 3 Cb 0.38 -4.04 -0.02 0.00 0.52 0.00 0.00 34.95 31.79 2jrl s ARG 3 CO -0.22 -1.40 -0.22 0.54 0.02 0.00 0.00 175.30 174.03 2jrl s VAL 4 N 3.73 1.70 -0.20 3.52 0.11 -1.13 -3.74 120.40 124.39 2jrl s VAL 4 Ca 0.29 -0.94 -0.01 0.00 -2.93 0.00 0.00 61.98 58.39 2jrl s VAL 4 Cb -0.13 -1.42 0.01 0.00 -1.53 0.00 0.00 36.38 33.31 2jrl s VAL 4 CO 0.19 0.46 -0.14 -0.22 -3.33 0.00 0.00 175.10 172.07 2jrl s LEU 5 N -0.55 2.46 -0.39 2.54 2.96 -1.22 -2.69 118.68 121.79 2jrl s LEU 5 Ca 0.08 -0.58 -0.17 0.00 -0.22 0.00 0.00 54.13 53.24 2jrl s LEU 5 Cb -0.08 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 45.04 2jrl s LEU 5 CO -0.01 -0.02 0.42 -0.69 -1.32 0.00 0.00 176.35 174.74 2jrl s VAL 6 N 1.35 5.11 -0.39 1.68 1.01 0.40 -1.07 120.40 128.50 2jrl s VAL 6 Ca 0.05 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 2jrl s VAL 6 Cb -0.14 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.30 2jrl s VAL 6 CO -0.09 -0.29 0.54 -0.69 0.00 0.00 0.00 175.10 174.57 2jrl s VAL 7 N 2.12 4.97 -0.29 2.92 1.01 0.22 -2.63 120.40 128.72 2jrl s VAL 7 Ca 0.13 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.12 2jrl s VAL 7 Cb -0.17 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.28 2jrl s VAL 7 CO 0.13 -0.36 0.72 -1.81 0.00 0.00 0.00 175.10 173.78 2jrl s ASP 8 N 1.84 -0.96 0.00 3.32 1.01 -0.25 -2.84 116.67 118.78 2jrl s ASP 8 Ca 0.19 1.43 0.07 0.00 0.71 0.00 0.00 52.55 54.94 2jrl s ASP 8 Cb -0.15 1.75 0.41 0.00 1.01 0.00 0.00 42.92 45.93 2jrl s ASP 8 CO 0.15 -0.21 0.88 -0.90 0.21 0.00 0.00 175.17 175.30 2jrl n ASP 9 N 4.75 0.00 -4.16 0.27 5.75 -1.23 -4.29 116.55 117.63 2jrl n ASP 9 Ca -0.16 -0.81 -0.39 0.00 -0.01 0.00 0.00 54.79 53.41 2jrl n ASP 9 Cb 0.55 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 2.86 0.65 0.11 2.56 -1.26 -4.91 118.70 116.71 2jrl s GLU 10 Ca 0.10 -2.51 0.37 0.00 0.00 0.00 0.00 54.97 52.93 2jrl s GLU 10 Cb 0.05 -3.93 2.02 0.00 2.00 0.00 0.00 34.13 34.27 2jrl s GLU 10 CO 0.08 -1.21 2.19 1.49 -0.56 0.00 0.00 175.26 177.25 2jrl h GLU 11 N 7.25 0.00 -0.24 4.30 4.81 -1.98 -1.38 114.58 127.34 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 0.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 2jrl h GLU 11 CO 0.73 0.00 -0.04 1.03 -0.73 0.00 0.00 179.01 180.00 2jrl h SER 12 N 0.00 0.46 0.28 1.04 0.87 -1.94 -1.90 113.55 112.35 2jrl h SER 12 Ca 0.02 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 2jrl h SER 12 Cb 0.29 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2jrl h SER 12 CO -0.00 0.70 -0.13 0.40 -0.53 0.00 0.00 176.83 177.27 2jrl h ILE 13 N 0.20 0.25 -1.09 2.23 1.08 -1.68 -3.25 117.51 115.25 2jrl h ILE 13 Ca 0.06 -0.82 0.30 0.00 -0.39 0.00 0.00 64.86 64.01 2jrl h ILE 13 Cb 0.49 0.42 -0.08 0.00 -3.07 0.00 0.00 36.82 34.58 2jrl h ILE 13 CO 0.02 0.07 0.73 0.71 -0.69 0.00 0.00 178.15 178.99 2jrl h THR 14 N -1.05 0.47 -0.80 -0.27 1.35 -1.54 0.43 112.91 111.50 2jrl h THR 14 Ca -0.04 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 2jrl h THR 14 Cb 0.39 0.21 -0.04 0.00 -1.73 0.00 0.00 68.15 66.98 2jrl h THR 14 CO 0.06 0.04 0.47 -1.28 -0.25 0.00 0.00 175.52 174.57 2jrl h SER 15 N 0.24 0.96 0.06 5.36 0.87 -1.39 0.18 113.55 119.83 2jrl h SER 15 Ca 0.59 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2jrl h SER 15 Cb 1.80 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2jrl h SER 15 CO -0.20 0.75 -0.03 0.77 -0.53 0.00 0.00 176.83 177.59 2jrl h SER 16 N 1.10 -0.07 -0.04 6.23 4.64 -0.22 -2.97 113.55 122.22 2jrl h SER 16 Ca 0.29 -0.53 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 2jrl h SER 16 Cb -0.03 0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2jrl h SER 16 CO -0.05 0.63 0.05 -0.07 -0.87 0.00 0.00 176.83 176.53 2jrl h LEU 17 N -0.92 0.00 -0.29 5.97 3.38 -1.25 -0.28 115.31 121.93 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 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2jrl h LEU 17 CO 0.01 0.00 -0.86 0.77 0.09 0.00 0.00 178.44 178.45 2jrl h SER 18 N 0.00 0.04 -0.47 -0.43 4.64 -0.68 -2.25 113.55 114.40 2jrl h SER 18 Ca 0.02 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2jrl h SER 18 Cb 0.13 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2jrl h SER 18 CO -0.00 0.88 -0.17 0.00 -0.87 0.00 0.00 176.83 176.67 2jrl h ALA 19 N 1.12 0.65 0.02 5.18 0.00 -0.87 -0.86 119.26 124.50 2jrl h ALA 19 Ca -0.02 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 2jrl h ALA 19 Cb 1.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2jrl h ALA 19 CO 0.12 0.60 -0.95 0.82 0.00 0.00 0.00 179.25 179.83 2jrl h ILE 20 N 0.79 1.48 -0.24 0.00 1.08 -1.55 -2.59 117.51 116.48 2jrl h ILE 20 Ca 0.11 -2.68 -0.08 0.00 -0.39 0.00 0.00 64.86 61.82 2jrl h ILE 20 Cb 0.74 2.54 -0.01 0.00 -3.07 0.00 0.00 36.82 37.03 2jrl h ILE 20 CO 0.06 0.78 -0.17 0.25 -0.69 0.00 0.00 178.15 178.39 2jrl h LEU 21 N 0.13 0.56 -1.22 1.44 5.85 -1.34 -2.89 115.31 117.84 2jrl h LEU 21 Ca -0.06 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 2jrl h LEU 21 Cb 1.61 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2jrl h LEU 21 CO 0.15 0.88 -0.29 -0.08 -0.34 0.00 0.00 178.44 178.76 2jrl h GLU 22 N 0.24 0.00 -0.32 1.25 4.22 -1.23 -1.48 114.58 117.26 2jrl h GLU 22 Ca 0.05 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.37 2jrl h GLU 22 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 2jrl h GLU 22 CO 0.04 0.29 -0.27 1.49 -2.18 0.00 0.00 179.01 178.38 2jrl h GLU 23 N 0.00 0.65 0.00 1.92 4.81 -1.31 -2.29 114.58 118.36 2jrl h GLU 23 Ca -0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2jrl h GLU 23 Cb 0.72 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2jrl h GLU 23 CO 0.04 0.86 0.00 0.39 -0.73 0.00 0.00 179.01 179.57 2jrl n GLU 24 N -4.09 0.96 -0.05 1.92 -0.58 -1.10 -4.83 120.64 112.86 2jrl n GLU 24 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2jrl n GLU 24 Cb 0.45 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 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 0.72 0.79 3.72 0.62 0.00 -0.86 -5.06 105.19 105.12 2jrl n GLY 25 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 1.90 -0.57 1.61 2.02 -0.58 -4.89 117.35 114.51 2jrl s TYR 26 Ca 0.00 0.77 0.04 0.00 -0.37 0.00 0.00 57.07 57.51 2jrl s TYR 26 Cb 0.00 -3.43 0.14 0.00 -0.40 0.00 0.00 41.96 38.28 2jrl s TYR 26 CO 0.00 -2.88 0.33 -1.01 -1.57 0.00 0.00 175.55 170.42 2jrl s HIS 27 N -3.18 3.17 0.50 2.71 3.76 -0.74 -3.87 115.29 117.64 2jrl s HIS 27 Ca 0.67 -3.15 -0.21 0.00 -0.15 0.00 0.00 55.06 52.21 2jrl s HIS 27 Cb -0.14 -2.68 -0.07 0.00 1.11 0.00 0.00 32.58 30.80 2jrl s HIS 27 CO 0.55 -0.69 1.15 -1.25 -0.85 0.00 0.00 174.74 173.65 2jrl s PRO 28 N -0.59 3.54 0.13 8.40 0.04 -1.25 -2.83 135.00 142.44 2jrl s PRO 28 Ca 0.20 1.69 0.02 0.00 0.04 0.00 0.00 61.00 62.94 2jrl s PRO 28 Cb -0.19 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.12 2jrl s PRO 28 CO -0.05 -0.71 -0.04 -0.51 0.04 0.00 0.00 177.00 175.72 2jrl s ASP 29 N -1.58 1.22 0.00 6.66 1.01 -1.09 -4.91 116.67 117.97 2jrl s ASP 29 Ca 0.69 -1.07 0.04 0.00 0.71 0.00 0.00 52.55 52.92 2jrl s ASP 29 Cb -0.26 0.10 -0.01 0.00 1.01 0.00 0.00 42.92 43.75 2jrl s ASP 29 CO 0.30 -0.49 -0.14 0.42 0.21 0.00 0.00 175.17 175.47 2jrl s THR 30 N -3.61 1.11 -0.05 -1.27 -4.23 -1.22 -0.45 115.64 105.91 2jrl s THR 30 Ca 0.17 -0.70 -0.02 0.00 -1.18 0.00 0.00 61.69 59.96 2jrl s THR 30 Cb 0.05 -0.95 0.04 0.00 1.34 0.00 0.00 72.50 72.98 2jrl s THR 30 CO -0.01 0.24 0.10 0.00 -0.54 0.00 0.00 174.62 174.41 2jrl s ALA 31 N -0.45 -0.01 -0.72 3.99 0.00 -1.08 -4.95 121.76 118.54 2jrl s ALA 31 Ca 0.05 0.41 0.25 0.00 0.00 0.00 0.00 51.96 52.67 2jrl s ALA 31 Cb -0.06 -0.54 0.45 0.00 0.00 0.00 0.00 23.12 22.97 2jrl s ALA 31 CO -0.00 -0.34 1.40 0.36 0.00 0.00 0.00 175.76 177.18 2jrl n LYS 32 N 4.79 0.23 -3.86 0.00 2.85 -1.26 -1.09 118.16 119.81 2jrl n LYS 32 Ca -0.15 0.08 -0.12 0.00 -1.05 0.00 0.00 58.31 57.07 2jrl n LYS 32 Cb 0.50 -1.66 -0.14 0.00 -0.65 0.00 0.00 35.03 33.09 2jrl n LYS 32 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2jrl s THR 33 N -3.13 0.00 0.03 0.58 -4.23 -1.26 -4.56 115.64 103.08 2jrl s THR 33 Ca 0.08 -0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.29 2jrl s THR 33 Cb 0.14 -0.06 -0.17 0.00 1.34 0.00 0.00 72.50 73.76 2jrl s THR 33 CO 0.70 -0.01 1.39 -0.07 -0.54 0.00 0.00 174.62 176.08 2jrl h LEU 34 N 6.06 -0.43 -1.00 4.79 -0.00 -1.94 -2.93 115.31 119.86 2jrl h LEU 34 Ca -0.24 -0.10 0.38 0.00 -0.00 0.00 0.00 57.88 57.92 2jrl h LEU 34 Cb 1.21 0.11 -0.18 0.00 -0.00 0.00 0.00 40.66 41.80 2jrl h LEU 34 CO 0.49 -0.15 0.42 0.08 -0.00 0.00 0.00 178.44 179.28 2jrl h ARG 35 N -0.73 0.02 -0.53 1.13 -0.00 -1.99 1.46 114.38 113.74 2jrl h ARG 35 Ca -0.05 -0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.82 2jrl h ARG 35 Cb 0.51 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.45 2jrl h ARG 35 CO 0.09 0.01 -0.08 1.49 -0.00 0.00 0.00 179.97 181.47 2jrl h GLU 36 N 0.02 0.98 0.00 0.08 4.57 -1.96 -2.35 114.58 115.92 2jrl h GLU 36 Ca 0.79 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 58.61 2jrl h GLU 36 Cb 1.98 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 30.50 2jrl h GLU 36 CO -0.80 1.01 -0.07 0.00 -1.18 0.00 0.00 179.01 177.97 2jrl h ALA 37 N 1.02 1.00 0.10 2.92 0.00 0.21 -3.11 119.26 121.38 2jrl h ALA 37 Ca 0.14 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.74 2jrl h ALA 37 Cb 0.63 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.43 2jrl h ALA 37 CO 0.04 0.09 -1.01 0.93 0.00 0.00 0.00 179.25 179.30 2jrl h GLU 38 N 0.00 0.51 -0.08 0.00 5.08 -0.40 -1.40 114.58 118.30 2jrl h GLU 38 Ca -0.00 -0.68 0.01 0.00 -1.00 0.00 0.00 59.36 57.69 2jrl h GLU 38 Cb 0.68 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2jrl h GLU 38 CO 0.01 1.29 0.01 0.87 -1.00 0.00 0.00 179.01 180.19 2jrl h LYS 39 N 0.05 0.04 -0.13 2.33 1.79 -1.38 -2.26 116.57 117.02 2jrl h LYS 39 Ca -0.15 -0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.15 2jrl h LYS 39 Cb 1.72 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.36 2jrl h LYS 39 CO 0.19 0.02 -0.61 1.57 -1.08 0.00 0.00 179.45 179.55 2jrl h LYS 40 N 0.04 0.43 -0.62 3.15 2.10 -1.65 -2.48 116.57 117.53 2jrl h LYS 40 Ca 0.03 -0.30 0.10 0.00 -2.00 0.00 0.00 60.65 58.49 2jrl h LYS 40 Cb 0.03 0.04 -0.04 0.00 -0.90 0.00 0.00 32.23 31.37 2jrl h LYS 40 CO -0.05 0.91 0.41 0.82 -2.00 0.00 0.00 179.45 179.54 2jrl h ILE 41 N 0.32 0.89 -0.02 0.07 2.04 -0.94 0.15 117.51 120.02 2jrl h ILE 41 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.71 2jrl h ILE 41 Cb 1.15 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2jrl h ILE 41 CO 0.11 0.08 -0.13 0.29 0.00 0.00 0.00 178.15 178.50 2jrl n LYS 42 N -4.47 1.84 -0.01 2.37 5.02 -0.88 -3.97 118.16 118.06 2jrl n LYS 42 Ca 0.10 -1.43 0.09 0.00 -2.02 0.00 0.00 58.31 55.05 2jrl n LYS 42 Cb 0.38 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.67 1.65 -3.86 1.97 0.28 0.41 -5.00 120.64 116.76 2jrl n GLU 43 Ca 0.14 -1.64 -0.08 0.00 -0.16 0.00 0.00 57.16 55.41 2jrl n GLU 43 Cb 0.51 -1.36 -0.03 0.00 1.43 0.00 0.00 31.44 31.98 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 -1.56 -0.13 -0.26 -1.84 2.34 -0.47 -5.03 118.68 111.72 2jrl s LEU 44 Ca 0.22 -0.64 -0.12 0.00 0.06 0.00 0.00 54.13 53.65 2jrl s LEU 44 Cb 0.16 2.48 -0.05 0.00 -0.56 0.00 0.00 46.19 48.23 2jrl s LEU 44 CO 0.24 -1.27 0.24 0.12 -1.06 0.00 0.00 176.35 174.62 2jrl s PHE 45 N -3.93 3.26 -0.14 3.48 2.19 -1.26 -4.76 117.98 116.81 2jrl s PHE 45 Ca 0.13 0.24 0.01 0.00 0.33 0.00 0.00 56.93 57.64 2jrl s PHE 45 Cb -0.04 -2.41 0.02 0.00 -1.31 0.00 0.00 43.02 39.28 2jrl s PHE 45 CO 0.06 -0.12 -0.16 -0.59 1.83 0.00 0.00 175.22 176.24 2jrl s PHE 46 N 1.65 2.24 -0.02 10.12 -0.71 -1.26 -4.99 117.98 125.01 2jrl s PHE 46 Ca 0.10 -1.21 -0.22 0.00 -1.04 0.00 0.00 56.93 54.56 2jrl s PHE 46 Cb -0.15 -1.61 -0.14 0.00 -1.21 0.00 0.00 43.02 39.90 2jrl s PHE 46 CO 0.09 -0.63 0.98 -1.00 -1.34 0.00 0.00 175.22 173.32 2jrl h PRO 47 N 7.79 -0.42 -4.62 1.99 0.13 -1.86 -3.45 132.00 131.55 2jrl h PRO 47 Ca -0.37 0.03 -0.39 0.00 -0.87 0.00 0.00 66.00 64.40 2jrl h PRO 47 Cb 1.15 0.10 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 2jrl h PRO 47 CO 0.53 -0.10 -0.78 0.14 -0.23 0.00 0.00 178.00 177.57 2jrl s VAL 48 N -3.99 0.68 0.03 1.56 -7.23 -1.25 -2.86 120.40 107.33 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 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.35 2jrl s VAL 48 CO 0.45 0.20 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.74 2jrl s ILE 49 N -0.08 0.46 -0.14 -0.62 1.01 -0.86 -3.44 121.20 117.54 2jrl s ILE 49 Ca 0.01 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2jrl s ILE 49 Cb -0.05 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.91 2jrl s ILE 49 CO -0.00 -0.26 -0.15 -0.69 0.00 0.00 0.00 174.94 173.84 2jrl s VAL 50 N -1.05 2.80 -0.12 2.92 1.01 -0.23 -0.15 120.40 125.58 2jrl s VAL 50 Ca -0.07 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 2jrl s VAL 50 Cb -0.08 -2.17 0.04 0.00 0.00 0.00 0.00 36.38 34.18 2jrl s VAL 50 CO 0.00 0.52 0.04 -0.22 0.00 0.00 0.00 175.10 175.44 2jrl s LEU 51 N 0.58 0.64 0.97 3.92 2.96 -0.50 0.69 118.68 127.94 2jrl s LEU 51 Ca -0.09 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.32 2jrl s LEU 51 Cb -0.16 -0.40 0.17 0.00 0.50 0.00 0.00 46.19 46.31 2jrl s LEU 51 CO 0.03 -0.27 1.10 -0.62 -1.32 0.00 0.00 176.35 175.27 2jrl s ASP 52 N 2.00 2.84 -0.15 3.68 2.15 -1.13 -3.33 116.67 122.73 2jrl s ASP 52 Ca 0.03 1.21 -0.27 0.00 0.43 0.00 0.00 52.55 53.95 2jrl s ASP 52 Cb -0.14 -1.87 -0.24 0.00 -0.30 0.00 0.00 42.92 40.37 2jrl s ASP 52 CO -0.06 -3.00 0.65 0.58 -0.17 0.00 0.00 175.17 173.17 2jrl h VAL 53 N -1.80 1.59 -0.17 1.11 2.07 0.00 -3.32 116.25 115.72 2jrl h VAL 53 Ca -0.53 -2.27 -0.03 0.00 0.82 0.00 0.00 66.70 64.69 2jrl h VAL 53 Cb 1.32 3.08 -0.00 0.00 -1.52 0.00 0.00 31.29 34.17 2jrl h VAL 53 CO 0.58 0.54 0.10 0.86 0.02 0.00 0.00 177.57 179.67 2jrl s TRP 54 N -2.22 1.24 0.07 1.57 -0.00 -1.26 -3.45 118.94 114.88 2jrl s TRP 54 Ca -0.20 2.18 0.08 0.00 -0.00 0.00 0.00 56.10 58.16 2jrl s TRP 54 Cb -0.02 -3.37 -0.03 0.00 -0.00 0.00 0.00 33.47 30.05 2jrl s TRP 54 CO 0.65 -0.85 -0.19 -1.64 -0.00 0.00 0.00 176.95 174.92 2jrl s MET 55 N 8.45 1.94 -0.02 5.86 -1.94 -1.26 -4.70 119.30 127.62 2jrl s MET 55 Ca 0.83 -1.06 -0.25 0.00 -1.71 0.00 0.00 55.69 53.49 2jrl s MET 55 Cb -0.06 -2.14 -0.20 0.00 2.01 0.00 0.00 34.83 34.44 2jrl s MET 55 CO 0.16 0.52 1.23 -1.00 -0.01 0.00 0.00 175.02 175.91 2jrl h PRO 56 N 4.30 -0.05 0.04 2.03 0.13 -1.89 -3.32 132.00 133.22 2jrl h PRO 56 Ca -0.48 0.00 -0.00 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 0.46 0.42 -0.02 0.22 -0.23 0.00 0.00 178.00 178.85 2jrl h ASP 57 N -0.55 -0.04 -4.05 1.44 3.58 -1.97 -3.48 116.42 111.35 2jrl h ASP 57 Ca -0.01 -0.20 0.25 0.00 0.42 0.00 0.00 57.03 57.50 2jrl h ASP 57 Cb 0.49 0.01 -0.20 0.00 1.72 0.00 0.00 39.33 41.35 2jrl h ASP 57 CO 0.01 0.18 0.83 -0.83 -2.88 0.00 0.00 179.24 176.55 2jrl s GLY 58 N -2.60 -0.23 0.94 -0.78 0.00 -1.25 -5.09 107.32 98.31 2jrl s GLY 58 Ca -0.14 1.83 -0.14 0.00 0.00 0.00 0.00 44.72 46.26 2jrl s GLY 58 CO 0.66 0.65 0.01 1.22 0.00 0.00 0.00 173.10 175.64 2jrl n ASP 59 N 0.05 -3.34 0.01 1.64 8.00 -1.26 -4.37 116.55 117.28 2jrl n ASP 59 Ca 0.00 0.31 -0.13 0.00 0.71 0.00 0.00 54.79 55.68 2jrl n ASP 59 Cb 0.58 -1.05 -0.14 0.00 -0.02 0.00 0.00 41.12 40.49 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 -1.24 0.13 0.24 0.44 0.00 -1.66 -3.26 103.07 97.71 2jrl h GLY 60 Ca -0.44 -0.33 0.12 0.00 0.00 0.00 0.00 47.33 46.68 2jrl h GLY 60 CO 0.31 0.29 0.25 -2.08 0.00 0.00 0.00 176.54 175.32 2jrl h VAL 61 N 0.03 0.70 0.00 4.60 2.07 -1.90 0.24 116.25 121.99 2jrl h VAL 61 Ca -0.27 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 66.99 2jrl h VAL 61 Cb 1.99 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2jrl h VAL 61 CO 0.11 0.08 -0.53 -1.13 0.02 0.00 0.00 177.57 176.11 2jrl h ASN 62 N 0.42 0.00 -0.52 0.57 -0.73 -1.96 -3.14 115.58 110.21 2jrl h ASN 62 Ca 0.36 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.55 2jrl h ASN 62 Cb 0.51 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.07 2jrl h ASN 62 CO -0.37 0.53 0.35 0.15 -0.37 0.00 0.00 177.43 177.72 2jrl h PHE 63 N 0.00 0.62 -0.67 0.67 3.04 -1.00 -2.36 116.94 117.24 2jrl h PHE 63 Ca -0.01 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.08 2jrl h PHE 63 Cb 1.16 -0.21 -0.08 0.00 2.56 0.00 0.00 35.95 39.37 2jrl h PHE 63 CO 0.00 0.38 0.25 0.82 -2.02 0.00 0.00 178.31 177.74 2jrl h ILE 64 N 0.66 0.70 -0.99 1.41 2.04 -1.41 -1.33 117.51 118.59 2jrl h ILE 64 Ca 0.20 -0.14 0.33 0.00 1.00 0.00 0.00 64.86 66.25 2jrl h ILE 64 Cb 0.00 0.26 -0.18 0.00 -0.74 0.00 0.00 36.82 36.16 2jrl h ILE 64 CO -0.05 0.07 0.26 -0.78 0.00 0.00 0.00 178.15 177.65 2jrl h ASP 65 N 0.41 -0.12 -0.30 1.72 3.58 -1.60 0.80 116.42 120.90 2jrl h ASP 65 Ca 0.36 0.27 -0.04 0.00 0.42 0.00 0.00 57.03 58.04 2jrl h ASP 65 Cb 0.49 0.39 -0.01 0.00 1.72 0.00 0.00 39.33 41.92 2jrl h ASP 65 CO -0.36 -0.38 0.05 0.15 -2.88 0.00 0.00 179.24 175.81 2jrl h PHE 66 N 0.02 0.54 0.10 0.28 3.57 -1.40 -2.77 116.94 117.27 2jrl h PHE 66 Ca 0.71 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 62.13 2jrl h PHE 66 Cb 1.66 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 40.26 2jrl h PHE 66 CO -0.28 0.59 -0.05 0.82 -2.23 0.00 0.00 178.31 177.17 2jrl h ILE 67 N 0.32 0.93 0.00 1.41 2.04 0.51 -1.30 117.51 121.42 2jrl h ILE 67 Ca 0.09 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2jrl h ILE 67 Cb 0.35 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2jrl h ILE 67 CO 0.01 0.02 0.03 0.29 0.00 0.00 0.00 178.15 178.50 2jrl n LYS 68 N -5.13 0.07 0.01 2.37 4.76 0.27 0.14 118.16 120.66 2jrl n LYS 68 Ca -0.08 0.56 -0.21 0.00 -2.87 0.00 0.00 58.31 55.71 2jrl n LYS 68 Cb 0.09 -1.77 -0.14 0.00 -1.84 0.00 0.00 35.03 31.37 2jrl n LYS 68 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2jrl h GLU 69 N 0.00 0.28 -0.17 1.97 4.81 -0.97 -3.34 114.58 117.16 2jrl h GLU 69 Ca 0.00 -0.47 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 2jrl h GLU 69 Cb 0.05 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2jrl h GLU 69 CO 0.00 1.21 -0.16 0.27 -0.73 0.00 0.00 179.01 179.60 2jrl n ASN 70 N -3.49 2.48 0.00 1.04 0.23 -0.41 -4.79 115.26 110.33 2jrl n ASN 70 Ca -0.31 -3.55 0.00 0.00 -0.53 0.00 0.00 54.58 50.19 2jrl n ASN 70 Cb 1.05 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 -1.08 0.00 -0.11 0.53 2.88 0.38 -4.99 113.62 111.23 2jrl n SER 71 Ca 0.24 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.65 2jrl n SER 71 Cb 0.84 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.82 0.00 -1.46 0.13 -1.68 -2.83 132.00 126.98 2jrl h PRO 72 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jrl h PRO 72 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2jrl h PRO 72 CO 0.00 1.06 0.00 -0.25 -0.23 0.00 0.00 178.00 178.58 2jrl n ASP 73 N -4.17 0.00 -4.82 1.44 9.92 -1.26 -4.80 116.55 112.86 2jrl n ASP 73 Ca -0.03 0.07 -0.33 0.00 -0.53 0.00 0.00 54.79 53.97 2jrl n ASP 73 Cb 0.50 -0.32 -0.02 0.00 -0.64 0.00 0.00 41.12 40.64 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2jrl s SER 74 N -2.65 6.36 -0.12 -2.24 0.15 -1.07 -4.95 113.70 109.19 2jrl s SER 74 Ca 0.19 1.68 0.02 0.00 0.70 0.00 0.00 55.95 58.54 2jrl s SER 74 Cb 0.14 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 2jrl s SER 74 CO 0.34 -0.77 -0.16 0.68 1.20 0.00 0.00 173.24 174.53 2jrl s VAL 75 N -2.49 1.56 0.05 4.45 -7.23 -1.13 -5.01 120.40 110.59 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 -0.12 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 2jrl s VAL 75 CO 0.31 0.45 -0.24 -0.69 -0.31 0.00 0.00 175.10 174.62 2jrl s VAL 76 N 1.04 2.34 -0.24 1.32 1.01 -1.08 -2.03 120.40 122.76 2jrl s VAL 76 Ca -0.05 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.51 2jrl s VAL 76 Cb -0.15 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2jrl s VAL 76 CO -0.03 0.35 0.10 -0.63 0.00 0.00 0.00 175.10 174.90 2jrl s ILE 77 N -0.85 4.71 -0.23 2.22 1.09 0.79 -1.59 121.20 127.34 2jrl s ILE 77 Ca 0.13 -0.04 -0.14 0.00 -1.10 0.00 0.00 60.65 59.49 2jrl s ILE 77 Cb -0.10 -3.20 -0.04 0.00 -1.06 0.00 0.00 42.46 38.06 2jrl s ILE 77 CO 0.03 0.34 0.34 -0.69 -0.10 0.00 0.00 174.94 174.86 2jrl s VAL 78 N 1.39 5.22 0.09 2.92 1.01 -1.17 -1.42 120.40 128.45 2jrl s VAL 78 Ca 0.06 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.66 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 0.23 -0.17 0.27 0.00 0.00 0.00 175.10 175.48 2jrl s ILE 79 N 1.56 1.40 0.08 2.22 -4.36 -1.21 -3.19 121.20 117.69 2jrl s ILE 79 Ca 0.15 -1.46 -0.16 0.00 -0.26 0.00 0.00 60.65 58.93 2jrl s ILE 79 Cb -0.15 -1.34 0.03 0.00 1.25 0.00 0.00 42.46 42.25 2jrl s ILE 79 CO 0.08 -0.18 0.36 0.28 0.24 0.00 0.00 174.94 175.73 2jrl s THR 80 N -1.34 0.07 -0.03 8.37 -1.32 -1.05 0.79 115.64 121.13 2jrl s THR 80 Ca 0.03 -0.61 0.18 0.00 -1.21 0.00 0.00 61.69 60.08 2jrl s THR 80 Cb -0.09 -1.06 -0.28 0.00 -1.51 0.00 0.00 72.50 69.55 2jrl s THR 80 CO 0.03 -0.34 0.39 0.61 -2.21 0.00 0.00 174.62 173.11 2jrl n GLY 81 N 0.22 -0.84 0.16 6.08 0.00 -1.26 -0.35 105.19 109.19 2jrl n GLY 81 Ca -0.17 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.87 1.61 3.86 -2.00 -3.43 115.15 112.33 2jrl h HIS 82 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2jrl h HIS 82 Cb 0.89 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2jrl h HIS 82 CO 0.00 0.50 -0.64 0.41 0.86 0.00 0.00 177.93 179.06 2jrl n GLY 83 N 0.20 -4.57 3.29 2.45 0.00 -1.26 -5.09 105.19 100.22 2jrl n GLY 83 Ca -0.01 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.49 2jrl n GLY 83 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jrl s SER 84 N -1.31 -0.58 0.13 1.61 0.01 -1.26 -5.05 113.70 107.25 2jrl s SER 84 Ca 0.00 0.61 -0.16 0.00 1.31 0.00 0.00 55.95 57.71 2jrl s SER 84 Cb 0.00 1.59 -0.01 0.00 0.21 0.00 0.00 66.02 67.81 2jrl s SER 84 CO 0.00 -0.11 1.66 1.62 0.41 0.00 0.00 173.24 176.82 2jrl h VAL 85 N 5.47 1.21 0.56 3.43 3.04 -1.98 0.03 116.25 128.00 2jrl h VAL 85 Ca -0.15 -0.67 -0.02 0.00 -1.01 0.00 0.00 66.70 64.84 2jrl h VAL 85 Cb 1.14 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.30 2jrl h VAL 85 CO 0.04 0.24 -0.37 0.44 -1.01 0.00 0.00 177.57 176.91 2jrl h ASP 86 N 0.51 -0.95 0.07 3.17 3.32 -2.01 -1.51 116.42 119.03 2jrl h ASP 86 Ca 0.13 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 2jrl h ASP 86 Cb 0.23 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2jrl h ASP 86 CO -0.01 -0.57 -0.07 0.74 -1.72 0.00 0.00 179.24 177.62 2jrl h THR 87 N -0.89 1.03 -0.00 0.35 2.02 -1.97 -2.67 112.91 110.78 2jrl h THR 87 Ca -0.06 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2jrl h THR 87 Cb 0.74 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 2jrl h THR 87 CO 0.05 0.07 0.00 0.00 0.37 0.00 0.00 175.52 176.01 2jrl h ALA 88 N 1.93 0.00 0.40 6.16 0.00 -0.45 -1.98 119.26 125.31 2jrl h ALA 88 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2jrl h ALA 88 Cb 0.13 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2jrl h ALA 88 CO 0.01 -0.41 -0.45 0.28 0.00 0.00 0.00 179.25 178.67 2jrl h VAL 89 N -0.18 0.00 -0.37 0.00 2.07 -0.94 -0.83 116.25 115.99 2jrl h VAL 89 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 2jrl h VAL 89 Cb 0.18 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2jrl h VAL 89 CO -0.00 0.00 0.42 0.07 0.02 0.00 0.00 177.57 178.08 2jrl h LYS 90 N -0.86 0.00 0.00 1.57 2.10 -1.58 0.88 116.57 118.68 2jrl h LYS 90 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 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 -0.09 0.00 -0.12 0.00 -2.00 0.00 0.00 179.45 177.25 2jrl n ALA 91 N -2.32 2.43 0.01 0.07 0.00 -0.43 -2.91 120.51 117.36 2jrl n ALA 91 Ca 0.06 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 2jrl n ALA 91 Cb 0.59 -1.41 -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 0.77 0.00 0.00 1.08 0.20 -2.58 117.51 116.98 2jrl h ILE 92 Ca 0.00 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 2jrl h ILE 92 Cb 0.71 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 2jrl h ILE 92 CO 0.00 0.79 0.00 0.11 -0.69 0.00 0.00 178.15 178.36 2jrl h LYS 93 N 0.06 0.00 0.35 2.37 1.57 -1.50 -3.29 116.57 116.13 2jrl h LYS 93 Ca -0.36 0.00 -0.02 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 34.35 2jrl h LYS 93 CO 0.11 0.00 -0.17 -0.22 -0.57 0.00 0.00 179.45 178.60 2jrl h LYS 94 N 0.00 -0.45 0.00 3.15 1.63 -1.66 -3.46 116.57 115.77 2jrl h LYS 94 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2jrl h LYS 94 Cb 0.80 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.53 2jrl h LYS 94 CO 0.00 -0.30 0.00 0.41 -3.45 0.00 0.00 179.45 176.11 2jrl n GLY 95 N 0.50 0.00 3.57 5.01 0.00 -1.25 -4.86 105.19 108.17 2jrl n GLY 95 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 0.27 4.61 0.00 -0.97 -2.62 121.76 126.58 2jrl s ALA 96 Ca 0.00 -1.15 0.11 0.00 0.00 0.00 0.00 51.96 50.92 2jrl s ALA 96 Cb 0.00 -2.57 0.35 0.00 0.00 0.00 0.00 23.12 20.90 2jrl s ALA 96 CO 0.00 -0.70 1.61 -0.92 0.00 0.00 0.00 175.76 175.75 2jrl h TYR 97 N 8.39 0.00 -2.67 0.00 3.20 -1.60 -3.41 116.97 120.87 2jrl h TYR 97 Ca -0.33 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.46 2jrl h TYR 97 Cb 1.18 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 39.27 2jrl h TYR 97 CO 0.73 0.62 -0.03 -2.00 -1.64 0.00 0.00 178.16 175.84 2jrl s GLU 98 N -3.59 0.92 -0.24 1.82 2.56 -1.26 -5.09 118.70 113.82 2jrl s GLU 98 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.97 54.84 2jrl s GLU 98 Cb 0.13 0.42 0.03 0.00 2.00 0.00 0.00 34.13 36.71 2jrl s GLU 98 CO 0.76 -0.30 -0.09 0.12 -0.56 0.00 0.00 175.26 175.20 2jrl s PHE 99 N -1.80 3.08 -0.04 5.30 2.19 -1.26 -3.03 117.98 122.42 2jrl s PHE 99 Ca -0.09 -1.73 0.06 0.00 0.33 0.00 0.00 56.93 55.50 2jrl s PHE 99 Cb -0.02 -2.02 -0.01 0.00 -1.31 0.00 0.00 43.02 39.66 2jrl s PHE 99 CO 0.03 -0.77 -0.23 -0.51 1.83 0.00 0.00 175.22 175.57 2jrl s LEU 100 N 1.27 2.03 0.00 6.12 1.43 -1.19 -5.04 118.68 123.29 2jrl s LEU 100 Ca -0.01 -0.45 -0.17 0.00 -1.03 0.00 0.00 54.13 52.47 2jrl s LEU 100 Cb -0.17 -1.23 0.25 0.00 0.03 0.00 0.00 46.19 45.07 2jrl s LEU 100 CO -0.06 0.24 0.88 -0.62 0.23 0.00 0.00 176.35 177.02 2jrl n GLU 101 N 2.86 -2.74 0.11 1.70 1.02 -1.26 -2.53 120.64 119.81 2jrl n GLU 101 Ca -0.17 -1.41 -0.09 0.00 -0.02 0.00 0.00 57.16 55.47 2jrl n GLU 101 Cb 0.52 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.57 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 -0.43 -6.50 3.49 1.79 -0.96 -3.42 116.57 110.54 2jrl h LYS 102 Ca -0.33 0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 57.63 2jrl h LYS 102 Cb 1.02 0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.78 2jrl h LYS 102 CO 0.22 -0.29 0.74 -1.25 -1.08 0.00 0.00 179.45 177.79 2jrl s PRO 103 N -4.39 4.32 -0.02 3.15 0.04 -1.26 -5.01 135.00 131.83 2jrl s PRO 103 Ca -0.09 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.79 2jrl s PRO 103 Cb 0.02 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.26 2jrl s PRO 103 CO 0.30 -0.46 0.42 -0.59 0.04 0.00 0.00 177.00 176.71 2jrl s PHE 104 N 1.45 -0.32 0.10 0.56 -0.12 -1.26 -5.11 117.98 113.27 2jrl s PHE 104 Ca 0.64 0.49 0.05 0.00 -0.05 0.00 0.00 56.93 58.06 2jrl s PHE 104 Cb -0.35 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 2jrl s PHE 104 CO 0.29 -0.47 0.02 -1.12 -0.05 0.00 0.00 175.22 173.89 2jrl s SER 105 N -1.37 5.11 0.56 1.98 0.01 -1.26 -4.95 113.70 113.78 2jrl s SER 105 Ca -0.12 -0.16 0.33 0.00 1.31 0.00 0.00 55.95 57.31 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 0.17 1.81 1.62 0.41 0.00 0.00 173.24 177.29 2jrl h VAL 106 N 2.77 0.39 -0.04 3.43 3.04 -2.02 0.53 116.25 124.36 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 30.91 2jrl h VAL 106 CO 0.61 0.00 0.02 -0.08 -1.01 0.00 0.00 177.57 177.11 2jrl h GLU 107 N 0.00 0.06 0.00 4.17 4.81 -1.99 0.24 114.58 121.87 2jrl h GLU 107 Ca 0.44 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.46 2jrl h GLU 107 Cb 1.91 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.25 2jrl h GLU 107 CO -0.00 0.15 -1.14 -0.09 -0.73 0.00 0.00 179.01 177.20 2jrl h ARG 108 N -0.05 0.00 -0.05 1.92 9.65 -1.29 -3.05 114.38 121.50 2jrl h ARG 108 Ca 0.01 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.87 2jrl h ARG 108 Cb 0.11 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2jrl h ARG 108 CO -0.00 0.62 -0.06 0.35 2.80 0.00 0.00 179.97 183.67 2jrl h PHE 109 N 0.00 0.17 -0.60 2.20 3.04 0.00 -2.74 116.94 119.01 2jrl h PHE 109 Ca -0.11 -0.05 -0.09 0.00 3.98 0.00 0.00 57.97 61.71 2jrl h PHE 109 Cb 1.70 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 40.16 2jrl h PHE 109 CO 0.00 0.61 0.03 1.37 -2.02 0.00 0.00 178.31 178.31 2jrl h LEU 110 N -0.33 0.98 -1.76 0.59 8.10 -0.66 -2.59 115.31 119.64 2jrl h LEU 110 Ca 0.01 -0.26 -0.01 0.00 0.11 0.00 0.00 57.88 57.74 2jrl h LEU 110 Cb 0.59 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 2jrl h LEU 110 CO 0.02 1.02 0.09 0.25 -4.11 0.00 0.00 178.44 175.70 2jrl h LEU 111 N 0.94 0.21 -0.00 0.17 6.46 -1.56 -1.84 115.31 119.69 2jrl h LEU 111 Ca 0.18 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2jrl h LEU 111 Cb 0.50 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2jrl h LEU 111 CO 0.02 0.19 0.00 0.74 -0.62 0.00 0.00 178.44 178.77 2jrl h THR 112 N 0.25 1.22 0.81 1.05 2.02 -1.14 -2.58 112.91 114.53 2jrl h THR 112 Ca 0.06 -0.64 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 2jrl h THR 112 Cb 0.03 1.65 0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2jrl h THR 112 CO -0.01 0.17 -0.39 0.40 0.37 0.00 0.00 175.52 176.06 2jrl h ILE 113 N -0.27 0.12 -0.94 3.11 1.08 -1.40 0.39 117.51 119.61 2jrl h ILE 113 Ca 0.00 -0.13 0.27 0.00 -0.39 0.00 0.00 64.86 64.61 2jrl h ILE 113 Cb 0.27 0.14 -0.16 0.00 -3.07 0.00 0.00 36.82 34.00 2jrl h ILE 113 CO 0.00 0.01 0.19 0.50 -0.69 0.00 0.00 178.15 178.16 2jrl h LYS 114 N -1.20 0.10 0.00 2.37 3.64 -1.43 0.92 116.57 120.97 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 0.84 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 2jrl h LYS 114 CO 0.18 0.06 -0.85 0.45 -2.27 0.00 0.00 179.45 177.03 2jrl h HIS 115 N 0.10 0.00 -0.67 1.91 3.86 -1.32 -3.14 115.15 115.88 2jrl h HIS 115 Ca 0.61 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.93 2jrl h HIS 115 Cb 1.30 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.69 2jrl h HIS 115 CO -0.33 0.85 0.27 0.00 0.86 0.00 0.00 177.93 179.58 2jrl h ALA 116 N 1.15 0.90 0.18 2.45 0.00 0.53 -0.04 119.26 124.44 2jrl h ALA 116 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jrl h ALA 116 Cb 1.57 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2jrl h ALA 116 CO 0.11 -0.17 -0.09 0.74 0.00 0.00 0.00 179.25 179.84 2jrl h PHE 117 N 0.45 -0.23 -0.99 0.00 -1.00 -1.49 -2.43 116.94 111.25 2jrl h PHE 117 Ca 0.35 -0.01 0.31 0.00 2.81 0.00 0.00 57.97 61.43 2jrl h PHE 117 Cb 0.45 0.08 -0.18 0.00 3.61 0.00 0.00 35.95 39.91 2jrl h PHE 117 CO -0.16 -0.14 0.16 0.39 -1.61 0.00 0.00 178.31 176.95 2jrl n GLU 118 N -4.02 -0.07 0.10 1.51 1.02 -1.19 -0.06 120.64 117.92 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 -2.38 -0.08 0.00 -0.02 0.00 0.00 31.44 29.06 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 -0.26 -1.00 3.49 4.57 -1.10 -3.04 114.58 117.24 2jrl h GLU 119 Ca 0.67 0.02 0.23 0.00 -1.18 0.00 0.00 59.36 59.10 2jrl h GLU 119 Cb 1.51 0.06 -0.10 0.00 -0.16 0.00 0.00 28.75 30.06 2jrl h GLU 119 CO -0.88 0.06 0.63 -0.92 -1.18 0.00 0.00 179.01 176.73 2jrl h TYR 120 N -0.60 0.79 0.00 0.92 5.03 0.04 -3.51 116.97 119.64 2jrl h TYR 120 Ca -0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2jrl h TYR 120 Cb 0.44 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.49 2jrl h TYR 120 CO 0.03 0.12 0.00 0.45 -1.32 0.00 0.00 178.16 177.44