#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 2.52 -2.73 2.12 4.76 -1.26 -4.77 118.16 118.80 2jrl n LYS 2 Ca 0.00 -1.46 -0.40 0.00 -2.87 0.00 0.00 58.31 53.58 2jrl n LYS 2 Cb 0.00 -2.34 -0.05 0.00 -1.84 0.00 0.00 35.03 30.79 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 1.98 4.80 -0.10 1.97 0.52 -1.26 -1.66 118.95 125.20 2jrl s ARG 3 Ca 0.59 1.49 -0.09 0.00 -0.52 0.00 0.00 55.73 57.21 2jrl s ARG 3 Cb 0.21 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.40 2jrl s ARG 3 CO -0.03 0.41 0.26 0.08 0.02 0.00 0.00 175.30 176.04 2jrl s VAL 4 N -0.80 -0.01 -0.25 3.52 1.01 -0.89 -3.57 120.40 119.41 2jrl s VAL 4 Ca 0.43 0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2jrl s VAL 4 Cb -0.25 -0.38 0.05 0.00 0.00 0.00 0.00 36.38 35.80 2jrl s VAL 4 CO 0.32 0.01 -0.10 -0.22 0.00 0.00 0.00 175.10 175.11 2jrl s LEU 5 N 0.32 3.27 -0.41 3.92 2.96 -1.22 -2.06 118.68 125.45 2jrl s LEU 5 Ca -0.02 -1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 52.55 2jrl s LEU 5 Cb -0.03 -1.59 0.02 0.00 0.50 0.00 0.00 46.19 45.09 2jrl s LEU 5 CO -0.01 -0.16 0.49 -0.69 -1.32 0.00 0.00 176.35 174.66 2jrl s VAL 6 N 1.20 5.02 -0.37 1.68 1.01 0.35 0.02 120.40 129.30 2jrl s VAL 6 Ca -0.05 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.64 2jrl s VAL 6 Cb -0.18 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 2jrl s VAL 6 CO -0.06 -0.43 0.36 -0.69 0.00 0.00 0.00 175.10 174.28 2jrl s VAL 7 N 2.33 5.17 -0.29 2.92 1.01 0.19 -2.50 120.40 129.24 2jrl s VAL 7 Ca 0.15 -0.15 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 2jrl s VAL 7 Cb -0.16 -3.87 0.11 0.00 0.00 0.00 0.00 36.38 32.46 2jrl s VAL 7 CO 0.15 -0.18 0.74 -1.81 0.00 0.00 0.00 175.10 174.00 2jrl s ASP 8 N 1.74 -0.93 0.00 3.32 1.01 -0.46 -2.77 116.67 118.59 2jrl s ASP 8 Ca 0.10 1.38 0.06 0.00 0.71 0.00 0.00 52.55 54.80 2jrl s ASP 8 Cb -0.17 1.70 0.33 0.00 1.01 0.00 0.00 42.92 45.79 2jrl s ASP 8 CO 0.12 -0.21 0.73 -0.90 0.21 0.00 0.00 175.17 175.12 2jrl n ASP 9 N 4.68 0.00 -4.14 0.27 5.75 -1.26 -4.20 116.55 117.65 2jrl n ASP 9 Ca -0.16 -0.57 -0.38 0.00 -0.01 0.00 0.00 54.79 53.67 2jrl n ASP 9 Cb 0.55 0.00 -0.08 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 2.88 0.62 0.11 2.56 -1.26 -4.91 118.70 116.70 2jrl s GLU 10 Ca 0.08 -2.63 0.32 0.00 0.00 0.00 0.00 54.97 52.74 2jrl s GLU 10 Cb 0.04 -3.90 1.81 0.00 2.00 0.00 0.00 34.13 34.08 2jrl s GLU 10 CO 0.06 -1.21 2.11 0.93 -0.56 0.00 0.00 175.26 176.60 2jrl h GLU 11 N 7.02 0.00 -0.53 4.30 5.08 -1.99 -0.87 114.58 127.59 2jrl h GLU 11 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2jrl h GLU 11 Cb 0.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2jrl h GLU 11 CO 0.74 0.00 0.10 0.77 -1.00 0.00 0.00 179.01 179.61 2jrl h SER 12 N 0.00 0.83 0.16 1.42 0.02 -1.94 -1.58 113.55 112.46 2jrl h SER 12 Ca 0.05 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2jrl h SER 12 Cb 0.44 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2jrl h SER 12 CO -0.00 0.87 -0.07 0.40 -1.14 0.00 0.00 176.83 176.89 2jrl h ILE 13 N 0.76 0.39 -1.07 3.27 1.08 -1.58 -3.26 117.51 117.10 2jrl h ILE 13 Ca 0.16 -1.06 0.29 0.00 -0.39 0.00 0.00 64.86 63.86 2jrl h ILE 13 Cb 0.39 0.70 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 2jrl h ILE 13 CO 0.01 0.12 0.71 0.71 -0.69 0.00 0.00 178.15 179.01 2jrl h THR 14 N -1.01 0.49 -0.78 -0.27 1.35 -1.52 0.29 112.91 111.45 2jrl h THR 14 Ca -0.02 -0.10 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2jrl h THR 14 Cb 0.35 0.19 -0.04 0.00 -1.73 0.00 0.00 68.15 66.92 2jrl h THR 14 CO 0.04 0.05 0.48 -1.28 -0.25 0.00 0.00 175.52 174.55 2jrl h SER 15 N 0.28 0.93 0.14 5.36 0.87 -1.36 0.12 113.55 119.89 2jrl h SER 15 Ca 0.58 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.08 2jrl h SER 15 Cb 1.71 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2jrl h SER 15 CO -0.22 0.72 -0.07 -1.28 -0.53 0.00 0.00 176.83 175.45 2jrl h SER 16 N 1.07 -0.16 -0.12 6.23 0.87 -0.53 -2.98 113.55 117.93 2jrl h SER 16 Ca 0.28 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2jrl h SER 16 Cb -0.05 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2jrl h SER 16 CO -0.05 0.44 0.18 -0.07 -0.53 0.00 0.00 176.83 176.79 2jrl h LEU 17 N -0.91 0.00 -0.26 2.23 4.07 -1.20 0.13 115.31 119.37 2jrl h LEU 17 Ca -0.02 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.78 2jrl h LEU 17 Cb 0.51 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 2jrl h LEU 17 CO 0.03 0.00 -0.78 0.28 -1.08 0.00 0.00 178.44 176.90 2jrl h SER 18 N 0.00 0.00 -0.34 -0.43 0.02 -0.77 -2.51 113.55 109.51 2jrl h SER 18 Ca 0.06 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 2jrl h SER 18 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2jrl h SER 18 CO -0.00 0.78 -0.18 0.00 -1.14 0.00 0.00 176.83 176.28 2jrl h ALA 19 N 1.22 0.49 -0.04 3.77 0.00 -0.59 -1.28 119.26 122.83 2jrl h ALA 19 Ca -0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.36 2jrl h ALA 19 Cb 1.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2jrl h ALA 19 CO 0.10 0.42 -0.79 0.82 0.00 0.00 0.00 179.25 179.81 2jrl h ILE 20 N 0.51 1.42 -0.19 0.00 1.08 -1.57 -2.46 117.51 116.30 2jrl h ILE 20 Ca 0.07 -2.30 -0.04 0.00 -0.39 0.00 0.00 64.86 62.20 2jrl h ILE 20 Cb 0.73 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2jrl h ILE 20 CO 0.05 0.68 -0.06 0.25 -0.69 0.00 0.00 178.15 178.39 2jrl h LEU 21 N 0.20 0.37 -1.44 1.44 5.85 -1.40 -2.79 115.31 117.54 2jrl h LEU 21 Ca -0.04 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 2jrl h LEU 21 Cb 1.37 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2jrl h LEU 21 CO 0.13 0.67 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.66 2jrl h GLU 22 N 0.08 0.00 -0.32 1.25 4.22 -1.28 -1.32 114.58 117.20 2jrl h GLU 22 Ca 0.05 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.33 2jrl h GLU 22 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2jrl h GLU 22 CO 0.02 0.16 -0.41 1.49 -2.18 0.00 0.00 179.01 178.09 2jrl h GLU 23 N 0.00 0.79 0.00 1.92 4.81 -1.23 -2.59 114.58 118.29 2jrl h GLU 23 Ca -0.00 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2jrl h GLU 23 Cb 0.58 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2jrl h GLU 23 CO 0.02 1.05 0.00 0.39 -0.73 0.00 0.00 179.01 179.74 2jrl n GLU 24 N -4.04 0.91 -0.06 1.92 -0.58 -1.07 -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 0.55 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 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 0.64 0.79 3.72 0.62 0.00 -0.98 -5.06 105.19 104.93 2jrl n GLY 25 Ca 0.12 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 -2.34 2.23 -0.60 1.61 2.02 -0.52 -4.83 117.35 114.93 2jrl s TYR 26 Ca 0.00 0.89 0.02 0.00 -0.37 0.00 0.00 57.07 57.61 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 -2.71 0.37 -1.01 -1.57 0.00 0.00 175.55 170.63 2jrl s HIS 27 N -3.12 3.33 0.41 2.71 3.76 -0.66 -3.81 115.29 117.90 2jrl s HIS 27 Ca 0.65 -3.08 -0.25 0.00 -0.15 0.00 0.00 55.06 52.23 2jrl s HIS 27 Cb -0.17 -2.93 -0.08 0.00 1.11 0.00 0.00 32.58 30.52 2jrl s HIS 27 CO 0.56 -0.74 1.19 -1.25 -0.85 0.00 0.00 174.74 173.65 2jrl s PRO 28 N -0.47 4.01 0.14 8.40 0.04 -1.25 -2.09 135.00 143.77 2jrl s PRO 28 Ca 0.19 1.88 0.03 0.00 0.04 0.00 0.00 61.00 63.14 2jrl s PRO 28 Cb -0.20 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 2jrl s PRO 28 CO -0.04 -0.37 -0.08 -0.51 0.04 0.00 0.00 177.00 176.05 2jrl s ASP 29 N -1.10 1.55 0.03 6.66 1.01 -0.88 -4.94 116.67 119.00 2jrl s ASP 29 Ca 0.58 -1.04 0.06 0.00 0.71 0.00 0.00 52.55 52.86 2jrl s ASP 29 Cb -0.31 0.03 -0.02 0.00 1.01 0.00 0.00 42.92 43.63 2jrl s ASP 29 CO 0.40 -0.40 -0.17 0.42 0.21 0.00 0.00 175.17 175.62 2jrl s THR 30 N -3.45 1.37 -0.17 -1.27 -4.23 -1.24 -0.49 115.64 106.15 2jrl s THR 30 Ca 0.17 -1.00 -0.07 0.00 -1.18 0.00 0.00 61.69 59.61 2jrl s THR 30 Cb 0.04 -1.19 0.08 0.00 1.34 0.00 0.00 72.50 72.76 2jrl s THR 30 CO -0.00 0.17 0.37 0.00 -0.54 0.00 0.00 174.62 174.61 2jrl s ALA 31 N -0.72 -0.95 -0.93 3.99 0.00 -1.04 -4.94 121.76 117.17 2jrl s ALA 31 Ca 0.05 1.33 0.25 0.00 0.00 0.00 0.00 51.96 53.60 2jrl s ALA 31 Cb -0.08 -1.14 0.59 0.00 0.00 0.00 0.00 23.12 22.49 2jrl s ALA 31 CO 0.01 -0.61 1.48 0.36 0.00 0.00 0.00 175.76 176.99 2jrl n LYS 32 N 5.13 0.05 -3.86 0.00 0.00 -1.26 -1.35 118.16 116.87 2jrl n LYS 32 Ca -0.11 0.02 -0.12 0.00 -0.00 0.00 0.00 58.31 58.09 2jrl n LYS 32 Cb 0.51 -1.53 -0.14 0.00 -0.00 0.00 0.00 35.03 33.86 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 -3.03 -0.00 0.02 0.58 -4.23 -1.26 -4.62 115.64 103.09 2jrl s THR 33 Ca 0.11 0.02 -0.26 0.00 -1.18 0.00 0.00 61.69 60.38 2jrl s THR 33 Cb 0.17 -0.03 -0.17 0.00 1.34 0.00 0.00 72.50 73.81 2jrl s THR 33 CO 0.68 0.01 1.34 -0.07 -0.54 0.00 0.00 174.62 176.04 2jrl h LEU 34 N 6.23 -0.30 -1.00 4.79 -0.00 -1.94 -2.95 115.31 120.15 2jrl h LEU 34 Ca -0.26 -0.17 0.37 0.00 -0.00 0.00 0.00 57.88 57.82 2jrl h LEU 34 Cb 1.20 0.08 -0.18 0.00 -0.00 0.00 0.00 40.66 41.76 2jrl h LEU 34 CO 0.50 0.02 0.41 0.08 -0.00 0.00 0.00 178.44 179.46 2jrl h ARG 35 N -0.64 0.03 -0.50 1.13 -0.00 -1.99 1.35 114.38 113.76 2jrl h ARG 35 Ca -0.04 -0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.82 2jrl h ARG 35 Cb 0.45 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.40 2jrl h ARG 35 CO 0.06 0.02 -0.15 1.49 -0.00 0.00 0.00 179.97 181.39 2jrl h GLU 36 N 0.04 0.98 0.00 0.08 4.57 -1.97 -2.59 114.58 115.69 2jrl h GLU 36 Ca 0.77 -0.38 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 2jrl h GLU 36 Cb 1.93 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 30.47 2jrl h GLU 36 CO -0.79 1.05 -0.10 0.00 -1.18 0.00 0.00 179.01 177.99 2jrl h ALA 37 N 0.95 1.03 0.05 2.92 0.00 0.18 -3.02 119.26 121.37 2jrl h ALA 37 Ca 0.13 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 2jrl h ALA 37 Cb 0.71 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.51 2jrl h ALA 37 CO 0.05 0.13 -1.01 0.93 0.00 0.00 0.00 179.25 179.36 2jrl h GLU 38 N 0.00 0.60 -0.13 0.00 5.08 -0.51 -1.02 114.58 118.59 2jrl h GLU 38 Ca -0.00 -0.71 0.02 0.00 -1.00 0.00 0.00 59.36 57.67 2jrl h GLU 38 Cb 0.60 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2jrl h GLU 38 CO 0.01 1.30 -0.00 -0.22 -1.00 0.00 0.00 179.01 179.10 2jrl h LYS 39 N 0.21 0.04 -0.09 2.33 1.63 -1.35 -2.10 116.57 117.24 2jrl h LYS 39 Ca -0.14 -0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.47 2jrl h LYS 39 Cb 1.69 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 33.31 2jrl h LYS 39 CO 0.20 0.02 -0.74 1.57 -3.45 0.00 0.00 179.45 177.06 2jrl h LYS 40 N 0.04 0.48 -0.46 1.90 2.10 -1.64 -2.52 116.57 116.47 2jrl h LYS 40 Ca 0.06 -0.39 0.12 0.00 -2.00 0.00 0.00 60.65 58.44 2jrl h LYS 40 Cb 0.08 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 2jrl h LYS 40 CO -0.11 1.02 0.32 0.82 -2.00 0.00 0.00 179.45 179.51 2jrl h ILE 41 N 0.33 0.81 -0.02 0.07 2.04 -0.87 0.22 117.51 120.09 2jrl h ILE 41 Ca -0.03 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2jrl h ILE 41 Cb 1.32 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2jrl h ILE 41 CO 0.13 0.01 -0.22 0.29 0.00 0.00 0.00 178.15 178.36 2jrl n LYS 42 N -4.42 1.78 -0.06 2.37 5.02 -0.82 -4.10 118.16 117.93 2jrl n LYS 42 Ca 0.08 -1.47 0.08 0.00 -2.02 0.00 0.00 58.31 54.97 2jrl n LYS 42 Cb 0.48 -1.46 0.10 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.68 1.54 -3.84 1.97 0.28 0.61 -5.01 120.64 116.88 2jrl n GLU 43 Ca 0.12 -1.62 -0.08 0.00 -0.16 0.00 0.00 57.16 55.41 2jrl n GLU 43 Cb 0.53 -1.32 -0.03 0.00 1.43 0.00 0.00 31.44 32.05 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 -1.23 -0.11 -0.25 -1.84 2.34 -0.19 -5.02 118.68 112.38 2jrl s LEU 44 Ca 0.21 -0.61 -0.15 0.00 0.06 0.00 0.00 54.13 53.64 2jrl s LEU 44 Cb 0.14 2.44 -0.04 0.00 -0.56 0.00 0.00 46.19 48.17 2jrl s LEU 44 CO 0.20 -1.24 0.39 0.12 -1.06 0.00 0.00 176.35 174.77 2jrl s PHE 45 N -3.92 3.28 -0.18 3.48 2.19 -1.26 -4.75 117.98 116.82 2jrl s PHE 45 Ca 0.12 0.48 0.00 0.00 0.33 0.00 0.00 56.93 57.87 2jrl s PHE 45 Cb -0.04 -2.58 0.04 0.00 -1.31 0.00 0.00 43.02 39.14 2jrl s PHE 45 CO 0.05 -0.18 -0.10 -0.06 1.83 0.00 0.00 175.22 176.76 2jrl s PHE 46 N 1.92 2.19 -0.02 10.12 0.08 -1.26 -4.97 117.98 126.03 2jrl s PHE 46 Ca 0.17 -1.40 -0.23 0.00 0.12 0.00 0.00 56.93 55.59 2jrl s PHE 46 Cb -0.15 -1.55 -0.16 0.00 -0.57 0.00 0.00 43.02 40.59 2jrl s PHE 46 CO 0.09 -0.70 1.04 -1.00 -0.10 0.00 0.00 175.22 174.55 2jrl h PRO 47 N 8.02 -0.33 -4.59 0.24 0.13 -1.86 -3.45 132.00 130.16 2jrl h PRO 47 Ca -0.28 0.02 -0.43 0.00 -0.87 0.00 0.00 66.00 64.44 2jrl h PRO 47 Cb 1.11 0.07 -0.31 0.00 0.13 0.00 0.00 31.00 32.00 2jrl h PRO 47 CO 0.46 0.03 -0.79 0.14 -0.23 0.00 0.00 178.00 177.62 2jrl s VAL 48 N -4.03 0.79 0.03 1.56 -7.23 -1.23 -2.63 120.40 107.66 2jrl s VAL 48 Ca -0.13 -0.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.71 2jrl s VAL 48 Cb 0.01 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.23 2jrl s VAL 48 CO 0.49 0.25 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.80 2jrl s ILE 49 N 0.20 0.82 -0.18 -0.62 1.01 -0.56 -3.42 121.20 118.44 2jrl s ILE 49 Ca -0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.74 2jrl s ILE 49 Cb -0.09 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2jrl s ILE 49 CO 0.00 -0.07 -0.08 -0.69 0.00 0.00 0.00 174.94 174.10 2jrl s VAL 50 N -0.84 3.19 -0.15 2.92 1.01 0.10 -0.52 120.40 126.12 2jrl s VAL 50 Ca -0.01 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2jrl s VAL 50 Cb -0.07 -2.41 0.05 0.00 0.00 0.00 0.00 36.38 33.95 2jrl s VAL 50 CO 0.01 0.47 0.03 -0.22 0.00 0.00 0.00 175.10 175.39 2jrl s LEU 51 N 1.02 0.89 0.94 3.92 2.96 -0.21 0.57 118.68 128.77 2jrl s LEU 51 Ca -0.00 -0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 53.25 2jrl s LEU 51 Cb -0.15 -0.51 0.16 0.00 0.50 0.00 0.00 46.19 46.19 2jrl s LEU 51 CO -0.01 -0.27 1.11 1.51 -1.32 0.00 0.00 176.35 177.37 2jrl s ASP 52 N 1.92 3.16 -0.11 3.68 -4.77 -1.12 -3.46 116.67 115.98 2jrl s ASP 52 Ca 0.01 1.15 -0.24 0.00 -3.30 0.00 0.00 52.55 50.18 2jrl s ASP 52 Cb -0.15 -1.79 -0.27 0.00 -1.09 0.00 0.00 42.92 39.61 2jrl s ASP 52 CO -0.07 -2.79 0.72 0.58 0.70 0.00 0.00 175.17 174.31 2jrl h VAL 53 N -1.66 1.49 -0.13 2.11 2.07 -0.58 -3.33 116.25 116.22 2jrl h VAL 53 Ca -0.52 -2.41 -0.04 0.00 0.82 0.00 0.00 66.70 64.55 2jrl h VAL 53 Cb 1.32 3.10 -0.00 0.00 -1.52 0.00 0.00 31.29 34.18 2jrl h VAL 53 CO 0.59 0.63 0.13 0.86 0.02 0.00 0.00 177.57 179.80 2jrl s TRP 54 N -2.35 1.26 0.03 1.57 -0.00 -1.26 -3.57 118.94 114.62 2jrl s TRP 54 Ca -0.18 2.21 0.07 0.00 -0.00 0.00 0.00 56.10 58.20 2jrl s TRP 54 Cb 0.00 -3.36 -0.03 0.00 -0.00 0.00 0.00 33.47 30.08 2jrl s TRP 54 CO 0.74 -0.68 -0.19 -1.64 -0.00 0.00 0.00 176.95 175.18 2jrl s MET 55 N 8.33 2.07 -0.02 5.86 -1.94 -1.26 -4.62 119.30 127.72 2jrl s MET 55 Ca 0.81 -0.97 -0.26 0.00 -1.71 0.00 0.00 55.69 53.55 2jrl s MET 55 Cb -0.05 -2.17 -0.20 0.00 2.01 0.00 0.00 34.83 34.42 2jrl s MET 55 CO 0.18 0.54 1.26 -1.00 -0.01 0.00 0.00 175.02 176.00 2jrl h PRO 56 N 4.66 -0.00 0.20 2.03 0.13 -1.89 -3.33 132.00 133.80 2jrl h PRO 56 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2jrl h PRO 56 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jrl h PRO 56 CO 0.47 0.49 -0.10 0.22 -0.23 0.00 0.00 178.00 178.85 2jrl h ASP 57 N -0.49 -0.23 -3.95 1.44 1.82 -1.97 -3.48 116.42 109.56 2jrl h ASP 57 Ca -0.00 -0.16 0.17 0.00 -0.39 0.00 0.00 57.03 56.64 2jrl h ASP 57 Cb 0.49 0.06 -0.22 0.00 0.68 0.00 0.00 39.33 40.34 2jrl h ASP 57 CO 0.00 0.04 0.71 -0.83 -1.61 0.00 0.00 179.24 177.55 2jrl s GLY 58 N -2.58 -0.20 0.98 -0.78 0.00 -1.25 -5.11 107.32 98.38 2jrl s GLY 58 Ca -0.15 2.02 -0.16 0.00 0.00 0.00 0.00 44.72 46.44 2jrl s GLY 58 CO 0.61 0.86 -0.23 1.22 0.00 0.00 0.00 173.10 175.56 2jrl n ASP 59 N 0.37 -3.88 0.00 1.64 8.00 -1.26 -4.45 116.55 116.97 2jrl n ASP 59 Ca -0.05 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.54 2jrl n ASP 59 Cb 0.59 -0.97 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 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 -1.32 0.14 0.18 0.44 0.00 -1.67 -3.28 103.07 97.58 2jrl h GLY 60 Ca -0.44 -0.37 0.12 0.00 0.00 0.00 0.00 47.33 46.64 2jrl h GLY 60 CO 0.29 0.32 0.22 -2.08 0.00 0.00 0.00 176.54 175.29 2jrl h VAL 61 N 0.03 0.66 0.00 4.60 2.07 -1.90 0.66 116.25 122.37 2jrl h VAL 61 Ca -0.32 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 2jrl h VAL 61 Cb 2.02 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2jrl h VAL 61 CO 0.09 0.07 -0.48 -1.13 0.02 0.00 0.00 177.57 176.14 2jrl h ASN 62 N 0.36 0.00 -0.27 0.57 -0.73 -1.96 -3.10 115.58 110.45 2jrl h ASN 62 Ca 0.36 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.52 2jrl h ASN 62 Cb 0.53 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.11 2jrl h ASN 62 CO -0.40 0.48 0.16 0.15 -0.37 0.00 0.00 177.43 177.45 2jrl h PHE 63 N 0.00 0.38 -0.71 0.67 3.57 -0.93 -2.55 116.94 117.37 2jrl h PHE 63 Ca -0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.64 2jrl h PHE 63 Cb 1.08 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.60 2jrl h PHE 63 CO 0.00 0.27 0.18 0.82 -2.23 0.00 0.00 178.31 177.35 2jrl h ILE 64 N 0.40 0.57 -0.92 1.41 2.04 -1.37 -1.19 117.51 118.45 2jrl h ILE 64 Ca 0.11 -0.10 0.24 0.00 1.00 0.00 0.00 64.86 66.10 2jrl h ILE 64 Cb 0.01 0.25 -0.17 0.00 -0.74 0.00 0.00 36.82 36.17 2jrl h ILE 64 CO -0.02 0.05 -0.03 -0.67 0.00 0.00 0.00 178.15 177.49 2jrl n ASP 65 N -5.13 -0.15 -0.07 1.72 2.03 -0.96 0.86 116.55 114.86 2jrl n ASP 65 Ca 0.13 1.56 -0.11 0.00 0.52 0.00 0.00 54.79 56.90 2jrl n ASP 65 Cb 0.42 -0.55 -0.04 0.00 -0.72 0.00 0.00 41.12 40.23 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 0.35 0.35 -0.67 3.57 -1.40 -2.23 116.94 116.91 2jrl h PHE 66 Ca 0.53 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 2jrl h PHE 66 Cb 1.06 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.69 2jrl h PHE 66 CO -0.51 0.40 -0.21 0.82 -2.23 0.00 0.00 178.31 176.58 2jrl h ILE 67 N 0.19 0.56 0.00 1.41 2.04 0.51 -0.56 117.51 121.66 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 0.21 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 2jrl h ILE 67 CO -0.00 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.44 2jrl n LYS 68 N -5.34 0.06 -0.01 2.37 4.76 0.58 0.15 118.16 120.74 2jrl n LYS 68 Ca -0.10 0.54 -0.21 0.00 -2.87 0.00 0.00 58.31 55.67 2jrl n LYS 68 Cb 0.25 -1.69 -0.14 0.00 -1.84 0.00 0.00 35.03 31.61 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 -1.82 0.74 -0.54 1.97 2.13 -0.44 -3.99 120.64 118.70 2jrl n GLU 69 Ca -0.00 0.29 0.03 0.00 0.66 0.00 0.00 57.16 58.14 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 -3.56 2.64 0.00 4.31 0.23 -0.35 -4.79 115.26 113.74 2jrl n ASN 70 Ca -0.32 -3.49 0.00 0.00 -0.53 0.00 0.00 54.58 50.24 2jrl n ASN 70 Cb 1.02 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 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 -1.04 0.00 -0.11 0.53 2.88 0.40 -4.99 113.62 111.29 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 0.86 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.81 0.00 -1.46 0.13 -1.69 -2.88 132.00 126.91 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 -0.40 -0.23 0.00 0.00 178.00 178.43 2jrl n ASP 73 N -4.17 0.26 -4.79 1.44 5.75 -1.26 -4.80 116.55 108.98 2jrl n ASP 73 Ca -0.03 0.55 -0.34 0.00 -0.01 0.00 0.00 54.79 54.96 2jrl n ASP 73 Cb 0.50 -0.61 -0.00 0.00 -1.03 0.00 0.00 41.12 39.98 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jrl s SER 74 N -3.49 5.89 -0.11 -1.12 0.01 -1.09 -4.95 113.70 108.85 2jrl s SER 74 Ca 0.08 1.94 0.02 0.00 1.31 0.00 0.00 55.95 59.30 2jrl s SER 74 Cb 0.12 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.81 2jrl s SER 74 CO 0.39 -1.09 -0.15 -0.69 0.41 0.00 0.00 173.24 172.10 2jrl s VAL 75 N -2.15 1.48 0.08 3.43 1.01 -1.08 -4.99 120.40 118.18 2jrl s VAL 75 Ca 0.67 -0.63 0.10 0.00 0.00 0.00 0.00 61.98 62.11 2jrl s VAL 75 Cb -0.18 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2jrl s VAL 75 CO 0.30 0.44 -0.26 -0.69 0.00 0.00 0.00 175.10 174.89 2jrl s VAL 76 N 0.98 2.11 -0.17 2.92 1.01 -1.16 -1.50 120.40 124.58 2jrl s VAL 76 Ca -0.07 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.36 2jrl s VAL 76 Cb -0.15 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2jrl s VAL 76 CO -0.01 0.23 -0.02 -0.63 0.00 0.00 0.00 175.10 174.67 2jrl s ILE 77 N -0.91 3.96 -0.23 2.22 1.09 0.32 -1.29 121.20 126.37 2jrl s ILE 77 Ca 0.12 -0.33 -0.10 0.00 -1.10 0.00 0.00 60.65 59.24 2jrl s ILE 77 Cb -0.10 -2.75 -0.05 0.00 -1.06 0.00 0.00 42.46 38.50 2jrl s ILE 77 CO 0.03 0.47 0.15 -0.69 -0.10 0.00 0.00 174.94 174.80 2jrl s VAL 78 N 0.56 5.29 0.00 2.92 1.01 -1.19 -1.04 120.40 127.96 2jrl s VAL 78 Ca -0.02 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.15 2jrl s VAL 78 Cb -0.14 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2jrl s VAL 78 CO 0.02 0.37 -0.11 0.27 0.00 0.00 0.00 175.10 175.65 2jrl s ILE 79 N 0.94 0.86 -0.10 2.22 -4.36 -1.22 -3.30 121.20 116.23 2jrl s ILE 79 Ca 0.07 -0.58 -0.16 0.00 -0.26 0.00 0.00 60.65 59.72 2jrl s ILE 79 Cb -0.13 -0.74 0.04 0.00 1.25 0.00 0.00 42.46 42.88 2jrl s ILE 79 CO 0.03 0.16 0.41 0.28 0.24 0.00 0.00 174.94 176.07 2jrl s THR 80 N -0.41 0.02 -0.28 8.37 -1.32 -1.18 0.24 115.64 121.08 2jrl s THR 80 Ca 0.03 -0.16 0.22 0.00 -1.21 0.00 0.00 61.69 60.58 2jrl s THR 80 Cb -0.05 -0.64 0.07 0.00 -1.51 0.00 0.00 72.50 70.37 2jrl s THR 80 CO -0.00 -0.09 1.16 1.23 -2.21 0.00 0.00 174.62 174.72 2jrl h GLY 81 N 4.70 0.00 2.00 6.08 0.00 -1.89 -2.32 103.07 111.64 2jrl h GLY 81 Ca -0.28 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2jrl h GLY 81 CO 0.30 0.00 -0.10 0.45 0.00 0.00 0.00 176.54 177.19 2jrl h HIS 82 N 0.00 0.00 -2.92 5.60 3.86 -1.99 -3.43 115.15 116.27 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 1.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.48 2jrl h HIS 82 CO 0.00 0.10 -0.71 0.41 0.86 0.00 0.00 177.93 178.59 2jrl n GLY 83 N -1.22 -4.33 0.00 2.45 0.00 -1.25 -5.09 105.19 95.75 2jrl n GLY 83 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.75 0.00 -0.10 1.61 3.41 -1.26 -5.04 113.62 111.49 2jrl n SER 84 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 2jrl n SER 84 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.30 0.38 -3.33 3.04 -1.98 -1.64 116.25 114.02 2jrl h VAL 85 Ca 0.00 -1.27 -0.01 0.00 -1.01 0.00 0.00 66.70 64.41 2jrl h VAL 85 Cb 0.00 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 30.76 2jrl h VAL 85 CO 0.00 0.41 -0.33 0.44 -1.01 0.00 0.00 177.57 177.07 2jrl h ASP 86 N 0.37 -0.89 0.13 3.17 3.32 -2.01 -1.37 116.42 119.15 2jrl h ASP 86 Ca 0.06 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2jrl h ASP 86 Cb 0.69 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 2jrl h ASP 86 CO 0.05 -0.48 -0.10 0.74 -1.72 0.00 0.00 179.24 177.73 2jrl h THR 87 N -0.73 0.92 0.04 0.35 2.02 -1.97 -2.75 112.91 110.81 2jrl h THR 87 Ca -0.03 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2jrl h THR 87 Cb 0.64 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 2jrl h THR 87 CO -0.03 0.09 -0.02 0.00 0.37 0.00 0.00 175.52 175.93 2jrl h ALA 88 N 1.90 -0.06 0.31 6.16 0.00 -0.57 -1.65 119.26 125.36 2jrl h ALA 88 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2jrl h ALA 88 Cb 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2jrl h ALA 88 CO 0.01 -0.41 -0.36 0.28 0.00 0.00 0.00 179.25 178.77 2jrl h VAL 89 N -0.30 0.00 -0.23 0.00 2.07 -0.98 0.07 116.25 116.89 2jrl h VAL 89 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2jrl h VAL 89 Cb 0.27 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2jrl h VAL 89 CO 0.01 0.00 0.33 0.07 0.02 0.00 0.00 177.57 178.00 2jrl h LYS 90 N -0.68 0.00 0.00 1.57 2.10 -1.61 0.69 116.57 118.64 2jrl h LYS 90 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2jrl h LYS 90 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2jrl h LYS 90 CO -0.07 0.00 -0.22 0.00 -2.00 0.00 0.00 179.45 177.15 2jrl h ALA 91 N 1.56 0.85 0.10 0.07 0.00 -0.21 -2.94 119.26 118.70 2jrl h ALA 91 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 2jrl h ALA 91 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2jrl h ALA 91 CO -0.00 0.00 -1.85 0.82 0.00 0.00 0.00 179.25 178.22 2jrl h ILE 92 N 0.00 0.77 0.00 0.00 1.08 0.23 -2.38 117.51 117.20 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 0.77 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 37.07 2jrl h ILE 92 CO 0.00 0.80 0.00 0.11 -0.69 0.00 0.00 178.15 178.37 2jrl h LYS 93 N 0.06 0.00 0.12 2.37 1.57 -1.49 -3.32 116.57 115.88 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 2.04 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 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.71 2jrl h LYS 94 N 0.00 -0.16 0.00 3.15 1.63 -1.64 -3.47 116.57 116.08 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 0.78 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 2jrl h LYS 94 CO 0.00 -0.11 0.00 0.41 -3.45 0.00 0.00 179.45 176.30 2jrl n GLY 95 N 1.08 0.34 3.56 5.01 0.00 -1.25 -4.89 105.19 109.04 2jrl n GLY 95 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 0.27 4.61 0.00 -0.90 -2.98 121.76 126.28 2jrl s ALA 96 Ca 0.00 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.80 2jrl s ALA 96 Cb 0.00 -2.60 0.37 0.00 0.00 0.00 0.00 23.12 20.89 2jrl s ALA 96 CO 0.00 -0.78 1.64 -0.92 0.00 0.00 0.00 175.76 175.70 2jrl h TYR 97 N 8.42 0.26 -2.67 0.00 3.20 -1.48 -3.40 116.97 121.30 2jrl h TYR 97 Ca -0.33 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.36 2jrl h TYR 97 Cb 1.17 -0.05 -0.21 0.00 1.54 0.00 0.00 36.73 39.18 2jrl h TYR 97 CO 0.71 0.68 -0.13 -2.00 -1.64 0.00 0.00 178.16 175.78 2jrl s GLU 98 N -3.95 0.74 -0.28 1.82 2.56 -1.26 -5.09 118.70 113.25 2jrl s GLU 98 Ca -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 54.97 55.03 2jrl s GLU 98 Cb 0.13 0.34 0.03 0.00 2.00 0.00 0.00 34.13 36.63 2jrl s GLU 98 CO 0.78 -0.19 -0.01 0.12 -0.56 0.00 0.00 175.26 175.40 2jrl s PHE 99 N -0.92 3.15 -0.07 5.30 2.19 -1.26 -3.15 117.98 123.22 2jrl s PHE 99 Ca -0.10 -1.56 0.03 0.00 0.33 0.00 0.00 56.93 55.63 2jrl s PHE 99 Cb -0.03 -2.11 0.01 0.00 -1.31 0.00 0.00 43.02 39.57 2jrl s PHE 99 CO 0.05 -0.73 -0.17 -0.51 1.83 0.00 0.00 175.22 175.69 2jrl s LEU 100 N 1.33 1.84 0.00 6.12 1.43 -1.21 -5.05 118.68 123.14 2jrl s LEU 100 Ca -0.01 -0.40 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 2jrl s LEU 100 Cb -0.18 -1.05 0.31 0.00 0.03 0.00 0.00 46.19 45.30 2jrl s LEU 100 CO -0.02 0.10 0.69 -0.62 0.23 0.00 0.00 176.35 176.73 2jrl n GLU 101 N 3.60 -3.56 0.19 1.70 1.02 -1.26 -3.09 120.64 119.24 2jrl n GLU 101 Ca -0.21 -1.16 -0.11 0.00 -0.02 0.00 0.00 57.16 55.67 2jrl n GLU 101 Cb 0.52 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 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 -0.59 -6.49 3.49 1.79 -1.69 -3.41 116.57 109.67 2jrl h LYS 102 Ca -0.31 0.04 -0.53 0.00 -2.18 0.00 0.00 60.65 57.66 2jrl h LYS 102 Cb 1.06 0.13 0.02 0.00 -1.58 0.00 0.00 32.23 31.86 2jrl h LYS 102 CO 0.19 -0.39 0.75 -1.25 -1.08 0.00 0.00 179.45 177.67 2jrl s PRO 103 N -4.63 4.31 0.03 3.15 0.04 -1.26 -4.97 135.00 131.66 2jrl s PRO 103 Ca -0.10 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 2jrl s PRO 103 Cb 0.02 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.24 2jrl s PRO 103 CO 0.34 -0.47 0.40 -0.59 0.04 0.00 0.00 177.00 176.72 2jrl s PHE 104 N 1.49 -0.26 0.12 0.56 -0.12 -1.26 -5.11 117.98 113.40 2jrl s PHE 104 Ca 0.64 0.27 0.05 0.00 -0.05 0.00 0.00 56.93 57.84 2jrl s PHE 104 Cb -0.35 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 2jrl s PHE 104 CO 0.29 -0.53 0.06 -1.12 -0.05 0.00 0.00 175.22 173.88 2jrl s SER 105 N -1.81 5.28 0.56 1.98 0.01 -1.26 -4.94 113.70 113.51 2jrl s SER 105 Ca -0.07 -0.14 0.33 0.00 1.31 0.00 0.00 55.95 57.37 2jrl s SER 105 Cb -0.02 -1.33 1.48 0.00 0.21 0.00 0.00 66.02 66.37 2jrl s SER 105 CO -0.00 0.13 1.83 1.62 0.41 0.00 0.00 173.24 177.23 2jrl h VAL 106 N 2.50 0.42 0.05 3.43 3.04 -2.02 0.47 116.25 124.14 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 1.18 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2jrl h VAL 106 CO 0.62 0.00 -0.02 -0.08 -1.01 0.00 0.00 177.57 177.08 2jrl h GLU 107 N 0.00 -0.07 0.00 4.17 4.81 -1.99 0.26 114.58 121.76 2jrl h GLU 107 Ca 0.43 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.47 2jrl h GLU 107 Cb 1.87 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.24 2jrl h GLU 107 CO -0.00 0.00 -1.11 -0.09 -0.73 0.00 0.00 179.01 177.08 2jrl h ARG 108 N -0.12 0.00 -0.08 1.92 9.65 -1.38 -3.05 114.38 121.33 2jrl h ARG 108 Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2jrl h ARG 108 Cb 0.10 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2jrl h ARG 108 CO 0.01 0.66 -0.06 0.35 2.80 0.00 0.00 179.97 183.73 2jrl h PHE 109 N 0.00 0.21 -0.54 2.20 3.04 -0.08 -2.67 116.94 119.09 2jrl h PHE 109 Ca -0.09 -0.06 -0.09 0.00 3.98 0.00 0.00 57.97 61.70 2jrl h PHE 109 Cb 1.70 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 40.15 2jrl h PHE 109 CO 0.00 0.59 -0.04 1.37 -2.02 0.00 0.00 178.31 178.22 2jrl h LEU 110 N -0.23 0.94 -1.75 0.59 8.10 -0.62 -2.64 115.31 119.70 2jrl h LEU 110 Ca 0.01 -0.27 -0.01 0.00 0.11 0.00 0.00 57.88 57.73 2jrl h LEU 110 Cb 0.55 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 2jrl h LEU 110 CO 0.02 1.02 0.06 0.25 -4.11 0.00 0.00 178.44 175.67 2jrl h LEU 111 N 0.87 0.19 -0.04 0.17 5.85 -1.54 -1.75 115.31 119.06 2jrl h LEU 111 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2jrl h LEU 111 Cb 0.56 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2jrl h LEU 111 CO 0.03 0.18 -0.00 0.74 -0.34 0.00 0.00 178.44 179.05 2jrl h THR 112 N 0.22 1.26 0.81 1.05 2.02 -1.11 -2.61 112.91 114.54 2jrl h THR 112 Ca 0.06 -0.79 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 2jrl h THR 112 Cb 0.06 1.71 0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2jrl h THR 112 CO -0.01 0.21 -0.39 0.40 0.37 0.00 0.00 175.52 176.11 2jrl h ILE 113 N -0.23 0.10 -0.92 3.11 1.08 -1.38 0.35 117.51 119.61 2jrl h ILE 113 Ca 0.01 -0.15 0.27 0.00 -0.39 0.00 0.00 64.86 64.60 2jrl h ILE 113 Cb 0.34 0.12 -0.16 0.00 -3.07 0.00 0.00 36.82 34.05 2jrl h ILE 113 CO 0.00 0.01 0.20 0.50 -0.69 0.00 0.00 178.15 178.17 2jrl h LYS 114 N -1.22 0.11 0.00 2.37 3.11 -1.42 0.89 116.57 120.42 2jrl h LYS 114 Ca -0.11 -0.01 -0.17 0.00 -2.81 0.00 0.00 60.65 57.55 2jrl h LYS 114 Cb 0.84 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.02 2jrl h LYS 114 CO 0.18 0.08 -0.82 0.45 -2.81 0.00 0.00 179.45 176.52 2jrl h HIS 115 N 0.12 0.00 -0.68 1.91 3.86 -1.34 -3.11 115.15 115.91 2jrl h HIS 115 Ca 0.60 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.91 2jrl h HIS 115 Cb 1.28 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.67 2jrl h HIS 115 CO -0.31 0.82 0.28 0.00 0.86 0.00 0.00 177.93 179.58 2jrl h ALA 116 N 1.18 0.91 0.17 2.45 0.00 0.50 -0.23 119.26 124.24 2jrl h ALA 116 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jrl h ALA 116 Cb 1.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2jrl h ALA 116 CO 0.11 -0.15 -0.08 0.74 0.00 0.00 0.00 179.25 179.86 2jrl h PHE 117 N 0.47 -0.21 -0.97 0.00 -1.00 -1.48 -2.70 116.94 111.04 2jrl h PHE 117 Ca 0.35 -0.01 0.28 0.00 2.81 0.00 0.00 57.97 61.40 2jrl h PHE 117 Cb 0.44 0.07 -0.18 0.00 3.61 0.00 0.00 35.95 39.89 2jrl h PHE 117 CO -0.15 -0.13 0.07 0.39 -1.61 0.00 0.00 178.31 176.88 2jrl n GLU 118 N -4.03 -0.08 0.14 1.51 1.02 -1.18 0.05 120.64 118.08 2jrl n GLU 118 Ca -0.03 1.44 -0.14 0.00 -0.02 0.00 0.00 57.16 58.42 2jrl n GLU 118 Cb 0.09 -2.32 -0.08 0.00 -0.02 0.00 0.00 31.44 29.11 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 -0.31 -1.02 3.49 4.57 -1.14 -2.84 114.58 117.33 2jrl h GLU 119 Ca 0.61 0.02 0.25 0.00 -1.18 0.00 0.00 59.36 59.07 2jrl h GLU 119 Cb 1.31 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 29.88 2jrl h GLU 119 CO -0.90 -0.07 0.66 -0.92 -1.18 0.00 0.00 179.01 176.60 2jrl h TYR 120 N -0.51 0.67 0.00 0.92 5.03 -0.03 -3.51 116.97 119.54 2jrl h TYR 120 Ca -0.03 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.30 2jrl h TYR 120 Cb 0.38 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.46 2jrl h TYR 120 CO -0.01 0.08 0.00 0.45 -1.32 0.00 0.00 178.16 177.36