#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrl n LYS 2 N 0.00 -1.37 -2.62 2.12 3.00 -1.26 -3.59 118.16 114.44 2jrl n LYS 2 Ca 0.00 0.78 -0.41 0.00 -0.00 0.00 0.00 58.31 58.68 2jrl n LYS 2 Cb 0.00 -4.28 -0.03 0.00 0.00 0.00 0.00 35.03 30.72 2jrl n LYS 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2jrl s ARG 3 N -4.98 3.18 0.04 1.64 0.52 -1.26 -1.52 118.95 116.57 2jrl s ARG 3 Ca 0.28 -0.39 0.08 0.00 -0.52 0.00 0.00 55.73 55.17 2jrl s ARG 3 Cb -0.09 -4.21 -0.03 0.00 0.52 0.00 0.00 34.95 31.14 2jrl s ARG 3 CO 0.83 -2.08 -0.20 0.08 0.02 0.00 0.00 175.30 173.95 2jrl s VAL 4 N 5.35 2.62 -0.23 3.52 1.01 -1.09 -3.73 120.40 127.85 2jrl s VAL 4 Ca 0.32 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2jrl s VAL 4 Cb -0.10 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.24 2jrl s VAL 4 CO 0.13 0.34 -0.14 -0.22 0.00 0.00 0.00 175.10 175.21 2jrl s LEU 5 N -1.39 2.87 -0.43 3.92 2.96 -1.22 -2.30 118.68 123.10 2jrl s LEU 5 Ca 0.14 -1.03 -0.19 0.00 -0.22 0.00 0.00 54.13 52.82 2jrl s LEU 5 Cb -0.10 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.08 2jrl s LEU 5 CO 0.04 -0.10 0.54 -0.69 -1.32 0.00 0.00 176.35 174.82 2jrl s VAL 6 N 1.20 4.95 -0.32 1.68 1.01 0.56 -0.01 120.40 129.48 2jrl s VAL 6 Ca -0.02 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 2jrl s VAL 6 Cb -0.17 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 2jrl s VAL 6 CO -0.08 -0.50 0.21 -0.69 0.00 0.00 0.00 175.10 174.03 2jrl s VAL 7 N 2.49 5.09 -0.29 2.92 1.01 0.14 -2.24 120.40 129.53 2jrl s VAL 7 Ca 0.18 -0.22 -0.18 0.00 0.00 0.00 0.00 61.98 61.75 2jrl s VAL 7 Cb -0.15 -3.58 0.13 0.00 0.00 0.00 0.00 36.38 32.77 2jrl s VAL 7 CO 0.16 0.05 0.94 -0.62 0.00 0.00 0.00 175.10 175.63 2jrl s ASP 8 N 1.70 -0.57 0.00 3.32 -1.08 0.34 -2.75 116.67 117.62 2jrl s ASP 8 Ca 0.06 0.95 0.00 0.00 -0.52 0.00 0.00 52.55 53.04 2jrl s ASP 8 Cb -0.17 1.18 0.00 0.00 -1.46 0.00 0.00 42.92 42.46 2jrl s ASP 8 CO 0.09 -0.15 0.46 -0.90 0.52 0.00 0.00 175.17 175.19 2jrl n ASP 9 N 3.48 0.25 -4.02 -0.34 5.75 -1.26 -4.25 116.55 116.16 2jrl n ASP 9 Ca -0.17 -1.17 -0.33 0.00 -0.01 0.00 0.00 54.79 53.10 2jrl n ASP 9 Cb 0.57 -0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.57 2.76 0.61 0.11 2.56 -1.26 -4.91 118.70 117.00 2jrl s GLU 10 Ca 0.00 -3.09 0.30 0.00 0.00 0.00 0.00 54.97 52.17 2jrl s GLU 10 Cb 0.00 -3.68 1.62 0.00 2.00 0.00 0.00 34.13 34.06 2jrl s GLU 10 CO 0.00 -1.24 1.99 1.49 -0.56 0.00 0.00 175.26 176.95 2jrl h GLU 11 N 6.06 0.00 -0.56 4.30 4.81 -1.99 0.14 114.58 127.34 2jrl h GLU 11 Ca 0.10 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.25 2jrl h GLU 11 Cb 0.83 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.19 2jrl h GLU 11 CO 0.77 0.00 0.06 1.03 -0.73 0.00 0.00 179.01 180.13 2jrl h SER 12 N 0.00 0.92 0.11 1.04 0.87 -1.94 -1.57 113.55 112.98 2jrl h SER 12 Ca 0.11 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2jrl h SER 12 Cb 0.76 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2jrl h SER 12 CO -0.00 0.97 -0.05 0.40 -0.53 0.00 0.00 176.83 177.62 2jrl h ILE 13 N 0.84 0.53 -1.03 2.23 1.08 -1.40 -3.25 117.51 116.51 2jrl h ILE 13 Ca 0.17 -1.21 0.26 0.00 -0.39 0.00 0.00 64.86 63.69 2jrl h ILE 13 Cb 0.46 0.96 -0.09 0.00 -3.07 0.00 0.00 36.82 35.08 2jrl h ILE 13 CO 0.02 0.16 0.66 0.71 -0.69 0.00 0.00 178.15 179.01 2jrl h THR 14 N -0.99 0.54 -0.91 -0.27 1.35 -1.49 0.31 112.91 111.44 2jrl h THR 14 Ca -0.01 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2jrl h THR 14 Cb 0.38 0.10 -0.04 0.00 -1.73 0.00 0.00 68.15 66.85 2jrl h THR 14 CO 0.02 0.07 0.55 -1.28 -0.25 0.00 0.00 175.52 174.64 2jrl h SER 15 N 0.40 1.09 0.09 5.36 0.87 -1.37 0.11 113.55 120.11 2jrl h SER 15 Ca 0.59 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2jrl h SER 15 Cb 1.47 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2jrl h SER 15 CO -0.29 0.84 -0.04 -1.28 -0.53 0.00 0.00 176.83 175.52 2jrl h SER 16 N 1.26 -0.10 -0.10 6.23 0.87 -0.50 -2.95 113.55 118.26 2jrl h SER 16 Ca 0.33 -0.43 0.03 0.00 -1.23 0.00 0.00 61.79 60.49 2jrl h SER 16 Cb -0.06 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 61.92 2jrl h SER 16 CO -0.06 0.55 0.15 -0.07 -0.53 0.00 0.00 176.83 176.86 2jrl h LEU 17 N -0.93 0.00 -0.11 2.23 4.07 -1.10 0.86 115.31 120.33 2jrl h LEU 17 Ca -0.01 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.76 2jrl h LEU 17 Cb 0.53 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.24 2jrl h LEU 17 CO 0.02 0.00 -0.89 0.28 -1.08 0.00 0.00 178.44 176.77 2jrl h SER 18 N 0.00 0.00 -0.41 -0.43 0.02 -0.82 -2.43 113.55 109.49 2jrl h SER 18 Ca 0.05 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 2jrl h SER 18 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2jrl h SER 18 CO -0.00 0.89 -0.23 0.00 -1.14 0.00 0.00 176.83 176.36 2jrl h ALA 19 N 1.11 0.58 0.02 3.77 0.00 -0.64 -1.20 119.26 122.88 2jrl h ALA 19 Ca -0.01 -0.39 -0.23 0.00 0.00 0.00 0.00 54.91 54.28 2jrl h ALA 19 Cb 1.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.29 2jrl h ALA 19 CO 0.12 0.56 -0.98 0.82 0.00 0.00 0.00 179.25 179.77 2jrl h ILE 20 N 0.69 1.41 0.00 0.00 1.08 -1.57 -2.40 117.51 116.72 2jrl h ILE 20 Ca 0.09 -2.50 -0.00 0.00 -0.39 0.00 0.00 64.86 62.06 2jrl h ILE 20 Cb 0.79 2.47 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 2jrl h ILE 20 CO 0.07 0.75 -0.00 0.25 -0.69 0.00 0.00 178.15 178.52 2jrl h LEU 21 N 0.22 -0.01 -1.59 1.44 5.85 -1.41 -2.80 115.31 117.02 2jrl h LEU 21 Ca -0.09 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 2jrl h LEU 21 Cb 1.62 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 2jrl h LEU 21 CO 0.17 0.31 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.34 2jrl h GLU 22 N -0.32 0.00 -0.27 1.25 4.22 -1.31 -1.69 114.58 116.46 2jrl h GLU 22 Ca -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.33 2jrl h GLU 22 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2jrl h GLU 22 CO 0.00 0.16 -0.27 1.49 -2.18 0.00 0.00 179.01 178.21 2jrl h GLU 23 N 0.00 0.54 -0.10 1.92 4.81 -1.22 -2.25 114.58 118.29 2jrl h GLU 23 Ca -0.00 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2jrl h GLU 23 Cb 0.51 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2jrl h GLU 23 CO 0.02 0.76 0.00 0.39 -0.73 0.00 0.00 179.01 179.45 2jrl n GLU 24 N -4.10 1.23 -0.06 1.92 4.71 -1.01 -4.83 120.64 118.51 2jrl n GLU 24 Ca -0.00 -0.36 0.00 0.00 -0.01 0.00 0.00 57.16 56.78 2jrl n GLU 24 Cb 0.43 -1.11 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 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 0.69 0.99 3.68 0.62 0.00 -0.84 -5.05 105.19 105.27 2jrl n GLY 25 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.41 1.46 -0.52 1.61 2.02 -0.67 -4.79 117.35 114.05 2jrl s TYR 26 Ca 0.00 0.70 0.03 0.00 -0.37 0.00 0.00 57.07 57.43 2jrl s TYR 26 Cb 0.00 -3.44 0.14 0.00 -0.40 0.00 0.00 41.96 38.26 2jrl s TYR 26 CO 0.00 -3.21 0.30 -1.01 -1.57 0.00 0.00 175.55 170.06 2jrl s HIS 27 N -3.12 2.71 0.51 2.71 3.76 -0.57 -3.86 115.29 117.43 2jrl s HIS 27 Ca 0.68 -2.89 -0.21 0.00 -0.15 0.00 0.00 55.06 52.49 2jrl s HIS 27 Cb -0.13 -2.36 -0.06 0.00 1.11 0.00 0.00 32.58 31.13 2jrl s HIS 27 CO 0.56 -0.72 1.14 -1.25 -0.85 0.00 0.00 174.74 173.62 2jrl s PRO 28 N -0.27 3.52 0.14 8.40 0.04 -1.26 -2.69 135.00 142.88 2jrl s PRO 28 Ca 0.20 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.95 2jrl s PRO 28 Cb -0.20 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2jrl s PRO 28 CO -0.04 -0.73 -0.08 0.34 0.04 0.00 0.00 177.00 176.53 2jrl s ASP 29 N -1.61 1.59 0.07 6.66 2.15 -0.97 -4.93 116.67 119.63 2jrl s ASP 29 Ca 0.69 -1.03 0.08 0.00 0.43 0.00 0.00 52.55 52.72 2jrl s ASP 29 Cb -0.26 0.03 -0.03 0.00 -0.30 0.00 0.00 42.92 42.36 2jrl s ASP 29 CO 0.30 -0.39 -0.21 0.42 -0.17 0.00 0.00 175.17 175.13 2jrl s THR 30 N -3.43 1.66 -0.26 1.71 -4.23 -1.23 -0.32 115.64 109.54 2jrl s THR 30 Ca 0.16 -1.34 -0.09 0.00 -1.18 0.00 0.00 61.69 59.25 2jrl s THR 30 Cb 0.04 -1.48 0.12 0.00 1.34 0.00 0.00 72.50 72.51 2jrl s THR 30 CO -0.00 0.08 0.56 0.00 -0.54 0.00 0.00 174.62 174.72 2jrl s ALA 31 N -0.96 -1.71 -1.04 3.99 0.00 -0.95 -4.91 121.76 116.17 2jrl s ALA 31 Ca 0.07 2.01 0.25 0.00 0.00 0.00 0.00 51.96 54.29 2jrl s ALA 31 Cb -0.09 -1.62 0.55 0.00 0.00 0.00 0.00 23.12 21.96 2jrl s ALA 31 CO 0.03 -0.88 1.44 0.36 0.00 0.00 0.00 175.76 176.71 2jrl n LYS 32 N 5.43 0.05 -3.91 0.00 0.00 -1.26 -0.51 118.16 117.96 2jrl n LYS 32 Ca -0.10 -0.03 -0.13 0.00 -0.00 0.00 0.00 58.31 58.05 2jrl n LYS 32 Cb 0.49 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.88 2jrl n LYS 32 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2jrl s THR 33 N -2.97 0.06 0.02 0.58 -4.23 -1.26 -4.59 115.64 103.24 2jrl s THR 33 Ca 0.12 -0.01 -0.25 0.00 -1.18 0.00 0.00 61.69 60.37 2jrl s THR 33 Cb 0.18 -0.08 -0.17 0.00 1.34 0.00 0.00 72.50 73.76 2jrl s THR 33 CO 0.68 0.03 1.31 -0.07 -0.54 0.00 0.00 174.62 176.04 2jrl h LEU 34 N 6.31 -0.27 -0.99 4.79 3.38 -1.94 -2.94 115.31 123.65 2jrl h LEU 34 Ca -0.28 -0.20 0.37 0.00 0.09 0.00 0.00 57.88 57.87 2jrl h LEU 34 Cb 1.19 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 2jrl h LEU 34 CO 0.50 0.06 0.44 0.08 0.09 0.00 0.00 178.44 179.62 2jrl h ARG 35 N -0.64 0.06 -0.48 1.13 -0.00 -1.99 1.16 114.38 113.62 2jrl h ARG 35 Ca -0.03 -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 -0.01 0.00 -0.00 0.00 0.00 29.97 30.40 2jrl h ARG 35 CO 0.05 0.04 -0.17 1.49 -0.00 0.00 0.00 179.97 181.38 2jrl h GLU 36 N 0.06 0.96 0.00 0.08 4.57 -1.97 -2.50 114.58 115.77 2jrl h GLU 36 Ca 0.78 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 2jrl h GLU 36 Cb 1.94 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 30.49 2jrl h GLU 36 CO -0.77 1.06 -0.07 0.00 -1.18 0.00 0.00 179.01 178.05 2jrl h ALA 37 N 0.87 1.02 0.09 2.92 0.00 0.14 -3.02 119.26 121.28 2jrl h ALA 37 Ca 0.11 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.71 2jrl h ALA 37 Cb 0.74 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jrl h ALA 37 CO 0.06 0.09 -1.02 0.93 0.00 0.00 0.00 179.25 179.31 2jrl h GLU 38 N 0.00 0.53 -0.20 0.00 5.08 -0.44 -1.16 114.58 118.39 2jrl h GLU 38 Ca -0.00 -0.70 0.03 0.00 -1.00 0.00 0.00 59.36 57.69 2jrl h GLU 38 Cb 0.57 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2jrl h GLU 38 CO 0.01 1.30 0.02 -0.22 -1.00 0.00 0.00 179.01 179.11 2jrl h LYS 39 N 0.10 0.09 -0.06 2.33 1.63 -1.33 -2.04 116.57 117.28 2jrl h LYS 39 Ca -0.15 -0.01 -0.20 0.00 -0.85 0.00 0.00 60.65 59.44 2jrl h LYS 39 Cb 1.73 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.34 2jrl h LYS 39 CO 0.20 0.06 -0.80 1.57 -3.45 0.00 0.00 179.45 177.03 2jrl h LYS 40 N 0.09 0.42 -0.47 1.90 2.10 -1.65 -2.58 116.57 116.37 2jrl h LYS 40 Ca 0.09 -0.38 0.12 0.00 -2.00 0.00 0.00 60.65 58.48 2jrl h LYS 40 Cb 0.10 0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.50 2jrl h LYS 40 CO -0.14 1.02 0.33 0.82 -2.00 0.00 0.00 179.45 179.48 2jrl h ILE 41 N 0.27 0.81 -0.02 0.07 2.04 -0.83 0.22 117.51 120.07 2jrl h ILE 41 Ca -0.05 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2jrl h ILE 41 Cb 1.39 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2jrl h ILE 41 CO 0.14 0.02 -0.33 0.29 0.00 0.00 0.00 178.15 178.27 2jrl n LYS 42 N -4.43 1.55 -0.07 2.37 5.02 -0.80 -4.09 118.16 117.72 2jrl n LYS 42 Ca 0.08 -1.28 0.08 0.00 -2.02 0.00 0.00 58.31 55.17 2jrl n LYS 42 Cb 0.47 -1.47 0.11 0.00 -0.02 0.00 0.00 35.03 34.12 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 0.40 1.70 -3.83 1.97 0.28 0.58 -5.01 120.64 116.73 2jrl n GLU 43 Ca 0.11 -1.71 -0.08 0.00 -0.16 0.00 0.00 57.16 55.32 2jrl n GLU 43 Cb 0.51 -1.34 -0.03 0.00 1.43 0.00 0.00 31.44 32.01 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 -1.30 -0.13 -0.25 -1.84 2.34 -0.16 -5.02 118.68 112.33 2jrl s LEU 44 Ca 0.23 -0.60 -0.16 0.00 0.06 0.00 0.00 54.13 53.66 2jrl s LEU 44 Cb 0.15 2.46 -0.03 0.00 -0.56 0.00 0.00 46.19 48.20 2jrl s LEU 44 CO 0.22 -1.24 0.42 0.12 -1.06 0.00 0.00 176.35 174.81 2jrl s PHE 45 N -3.92 3.28 -0.18 3.48 2.19 -1.26 -4.74 117.98 116.82 2jrl s PHE 45 Ca 0.12 0.52 0.01 0.00 0.33 0.00 0.00 56.93 57.91 2jrl s PHE 45 Cb -0.04 -2.61 0.04 0.00 -1.31 0.00 0.00 43.02 39.10 2jrl s PHE 45 CO 0.04 -0.20 -0.11 -0.06 1.83 0.00 0.00 175.22 176.73 2jrl s PHE 46 N 1.99 2.29 -0.02 10.12 0.08 -1.26 -5.00 117.98 126.17 2jrl s PHE 46 Ca 0.18 -1.46 -0.22 0.00 0.12 0.00 0.00 56.93 55.55 2jrl s PHE 46 Cb -0.16 -1.59 -0.15 0.00 -0.57 0.00 0.00 43.02 40.55 2jrl s PHE 46 CO 0.09 -0.71 1.00 -1.00 -0.10 0.00 0.00 175.22 174.50 2jrl h PRO 47 N 8.01 -0.38 -4.51 0.24 0.13 -1.95 -3.45 132.00 130.08 2jrl h PRO 47 Ca -0.30 0.03 -0.40 0.00 -0.87 0.00 0.00 66.00 64.46 2jrl h PRO 47 Cb 1.11 0.09 -0.30 0.00 0.13 0.00 0.00 31.00 32.02 2jrl h PRO 47 CO 0.48 -0.05 -0.78 0.14 -0.23 0.00 0.00 178.00 177.56 2jrl s VAL 48 N -4.01 0.68 0.04 1.56 -7.23 -1.24 -2.56 120.40 107.64 2jrl s VAL 48 Ca -0.13 -0.32 0.03 0.00 -1.81 0.00 0.00 61.98 59.76 2jrl s VAL 48 Cb 0.01 -0.61 -0.02 0.00 0.56 0.00 0.00 36.38 36.33 2jrl s VAL 48 CO 0.47 0.21 -0.11 -0.63 -0.31 0.00 0.00 175.10 174.73 2jrl s ILE 49 N 0.14 0.81 -0.19 -0.62 1.01 -0.70 -3.37 121.20 118.29 2jrl s ILE 49 Ca -0.02 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 2jrl s ILE 49 Cb -0.07 -0.78 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2jrl s ILE 49 CO 0.00 -0.12 -0.08 -0.69 0.00 0.00 0.00 174.94 174.05 2jrl s VAL 50 N -0.92 3.17 -0.15 2.92 1.01 0.99 -0.81 120.40 126.60 2jrl s VAL 50 Ca -0.02 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 2jrl s VAL 50 Cb -0.08 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.95 2jrl s VAL 50 CO 0.01 0.47 0.02 -0.22 0.00 0.00 0.00 175.10 175.38 2jrl s LEU 51 N 1.09 0.92 0.96 3.92 0.20 -0.53 0.28 118.68 125.52 2jrl s LEU 51 Ca 0.01 -0.54 -0.12 0.00 0.69 0.00 0.00 54.13 54.16 2jrl s LEU 51 Cb -0.15 -0.52 0.16 0.00 -0.43 0.00 0.00 46.19 45.25 2jrl s LEU 51 CO -0.02 -0.27 1.11 1.51 -0.29 0.00 0.00 176.35 178.40 2jrl s ASP 52 N 1.91 3.03 -0.12 3.68 -4.77 -1.11 -3.50 116.67 115.80 2jrl s ASP 52 Ca 0.01 1.10 -0.24 0.00 -3.30 0.00 0.00 52.55 50.13 2jrl s ASP 52 Cb -0.15 -1.73 -0.27 0.00 -1.09 0.00 0.00 42.92 39.68 2jrl s ASP 52 CO -0.07 -2.86 0.69 0.58 0.70 0.00 0.00 175.17 174.21 2jrl h VAL 53 N -1.71 1.46 -0.16 2.11 2.07 -0.50 -3.32 116.25 116.20 2jrl h VAL 53 Ca -0.53 -2.39 -0.11 0.00 0.82 0.00 0.00 66.70 64.49 2jrl h VAL 53 Cb 1.33 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 34.15 2jrl h VAL 53 CO 0.59 0.62 0.34 1.87 0.02 0.00 0.00 177.57 181.01 2jrl n TRP 54 N -4.32 1.27 -4.82 1.57 -0.00 -1.26 -3.74 117.44 106.14 2jrl n TRP 54 Ca -0.17 -0.49 -0.30 0.00 -0.00 0.00 0.00 57.50 56.54 2jrl n TRP 54 Cb 0.68 -2.51 -0.14 0.00 -0.00 0.00 0.00 31.31 29.34 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 7.98 1.79 -0.01 5.87 -1.94 -1.26 -4.56 119.30 127.17 2jrl s MET 55 Ca 0.78 -1.12 -0.25 0.00 -1.71 0.00 0.00 55.69 53.39 2jrl s MET 55 Cb -0.03 -2.00 -0.19 0.00 2.01 0.00 0.00 34.83 34.62 2jrl s MET 55 CO 0.19 0.51 1.28 -1.00 -0.01 0.00 0.00 175.02 175.99 2jrl h PRO 56 N 4.66 0.06 -0.04 2.03 0.13 -1.89 -3.31 132.00 133.64 2jrl h PRO 56 Ca -0.47 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.44 0.53 0.02 -0.44 -0.23 0.00 0.00 178.00 178.31 2jrl h ASP 57 N -0.41 0.05 -3.53 1.44 5.19 -1.97 -3.47 116.42 113.72 2jrl h ASP 57 Ca 0.00 -0.13 0.29 0.00 -0.62 0.00 0.00 57.03 56.57 2jrl h ASP 57 Cb 0.52 -0.01 -0.24 0.00 0.18 0.00 0.00 39.33 39.77 2jrl h ASP 57 CO 0.01 0.17 0.97 -0.83 -3.12 0.00 0.00 179.24 176.43 2jrl s GLY 58 N -2.49 -0.04 1.00 2.75 0.00 -1.25 -5.08 107.32 102.21 2jrl s GLY 58 Ca -0.14 2.41 -0.17 0.00 0.00 0.00 0.00 44.72 46.83 2jrl s GLY 58 CO 0.67 0.88 -0.21 1.22 0.00 0.00 0.00 173.10 175.67 2jrl n ASP 59 N 0.26 -3.33 -0.03 1.64 8.00 -1.26 -4.44 116.55 117.39 2jrl n ASP 59 Ca 0.03 0.17 -0.15 0.00 0.71 0.00 0.00 54.79 55.55 2jrl n ASP 59 Cb 0.58 -0.96 -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 0.61 -0.39 0.00 0.00 177.20 177.42 2jrl n GLY 60 N 2.35 -0.75 0.30 0.44 0.00 -1.25 -3.56 105.19 102.72 2jrl n GLY 60 Ca 0.02 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.92 2jrl n GLY 60 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jrl h VAL 61 N 0.03 0.74 0.00 1.61 3.04 -1.89 0.12 116.25 119.90 2jrl h VAL 61 Ca -0.40 -0.20 -0.13 0.00 -1.01 0.00 0.00 66.70 64.95 2jrl h VAL 61 Cb 2.04 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 2jrl h VAL 61 CO 0.06 0.11 -0.63 -1.13 -1.01 0.00 0.00 177.57 174.97 2jrl h ASN 62 N 0.59 0.00 -0.42 3.17 -0.73 -1.96 -3.22 115.58 113.01 2jrl h ASN 62 Ca 0.43 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.63 2jrl h ASN 62 Cb 0.59 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.16 2jrl h ASN 62 CO -0.35 0.63 0.28 0.15 -0.37 0.00 0.00 177.43 177.77 2jrl h PHE 63 N 0.00 0.44 -0.80 0.67 3.57 -1.03 -2.25 116.94 117.54 2jrl h PHE 63 Ca -0.01 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.67 2jrl h PHE 63 Cb 1.39 -0.15 -0.11 0.00 2.79 0.00 0.00 35.95 39.88 2jrl h PHE 63 CO 0.00 0.26 0.32 0.82 -2.23 0.00 0.00 178.31 177.48 2jrl h ILE 64 N 0.46 0.59 -0.91 1.41 2.04 -1.47 -1.22 117.51 118.42 2jrl h ILE 64 Ca 0.17 -0.14 0.24 0.00 1.00 0.00 0.00 64.86 66.12 2jrl h ILE 64 Cb 0.10 0.13 -0.17 0.00 -0.74 0.00 0.00 36.82 36.14 2jrl h ILE 64 CO -0.04 0.08 -0.01 -0.67 0.00 0.00 0.00 178.15 177.51 2jrl n ASP 65 N -5.03 -0.13 -0.10 1.72 2.03 -0.85 0.11 116.55 114.30 2jrl n ASP 65 Ca 0.17 1.54 -0.11 0.00 0.52 0.00 0.00 54.79 56.91 2jrl n ASP 65 Cb 0.49 -0.55 -0.04 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.61 0.12 -0.67 3.57 -1.41 -2.77 116.94 116.39 2jrl h PHE 66 Ca 0.54 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2jrl h PHE 66 Cb 1.08 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 2jrl h PHE 66 CO -0.49 0.72 -0.10 0.82 -2.23 0.00 0.00 178.31 177.04 2jrl h ILE 67 N 0.32 0.78 0.00 1.41 2.04 0.80 -0.55 117.51 122.30 2jrl h ILE 67 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2jrl h ILE 67 Cb 0.51 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 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 -5.22 0.02 -0.02 2.37 4.76 0.78 0.14 118.16 120.98 2jrl n LYS 68 Ca -0.08 0.46 -0.21 0.00 -2.87 0.00 0.00 58.31 55.62 2jrl n LYS 68 Cb 0.14 -1.55 -0.14 0.00 -1.84 0.00 0.00 35.03 31.64 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 -1.58 0.74 -0.49 1.97 2.13 -0.33 -4.01 120.64 119.06 2jrl n GLU 69 Ca 0.01 0.24 0.05 0.00 0.66 0.00 0.00 57.16 58.11 2jrl n GLU 69 Cb 0.04 -1.68 0.20 0.00 0.27 0.00 0.00 31.44 30.28 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 -3.44 2.72 0.00 4.31 0.23 -0.50 -4.78 115.26 113.79 2jrl n ASN 70 Ca -0.34 -3.41 0.00 0.00 -0.53 0.00 0.00 54.58 50.29 2jrl n ASN 70 Cb 1.04 -0.54 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 -1.03 0.00 -0.12 0.53 2.88 0.36 -4.99 113.62 111.26 2jrl n SER 71 Ca 0.23 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 2jrl n SER 71 Cb 0.84 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.28 2jrl n SER 71 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2jrl h PRO 72 N 0.00 0.90 0.00 -1.46 0.13 -1.70 -2.86 132.00 127.02 2jrl h PRO 72 Ca 0.00 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 1.13 0.00 -0.25 -0.23 0.00 0.00 178.00 178.65 2jrl n ASP 73 N -4.10 0.00 -4.81 1.44 8.00 -1.26 -4.82 116.55 111.01 2jrl n ASP 73 Ca -0.02 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.46 2jrl n ASP 73 Cb 0.53 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2jrl s SER 74 N -2.86 6.23 -0.11 -2.24 0.15 -1.08 -4.93 113.70 108.86 2jrl s SER 74 Ca 0.15 1.79 0.02 0.00 0.70 0.00 0.00 55.95 58.61 2jrl s SER 74 Cb 0.16 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2jrl s SER 74 CO 0.41 -0.86 -0.16 -0.69 1.20 0.00 0.00 173.24 173.15 2jrl s VAL 75 N -2.31 1.53 0.07 4.45 1.01 -1.06 -5.00 120.40 119.08 2jrl s VAL 75 Ca 0.64 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.05 2jrl s VAL 75 Cb -0.14 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2jrl s VAL 75 CO 0.28 0.45 -0.26 -0.69 0.00 0.00 0.00 175.10 174.88 2jrl s VAL 76 N 0.96 2.16 -0.19 2.92 1.01 -1.14 -1.73 120.40 124.40 2jrl s VAL 76 Ca -0.07 -1.48 -0.05 0.00 0.00 0.00 0.00 61.98 60.38 2jrl s VAL 76 Cb -0.15 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2jrl s VAL 76 CO -0.01 0.29 0.01 -0.63 0.00 0.00 0.00 175.10 174.75 2jrl s ILE 77 N -0.87 4.11 -0.23 2.22 1.09 0.00 -1.59 121.20 125.93 2jrl s ILE 77 Ca 0.12 -0.27 -0.11 0.00 -1.10 0.00 0.00 60.65 59.29 2jrl s ILE 77 Cb -0.10 -2.85 -0.05 0.00 -1.06 0.00 0.00 42.46 38.41 2jrl s ILE 77 CO 0.03 0.45 0.19 -0.69 -0.10 0.00 0.00 174.94 174.82 2jrl s VAL 78 N 0.75 5.34 0.00 2.92 1.01 -1.20 -1.45 120.40 127.77 2jrl s VAL 78 Ca 0.00 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.27 2jrl s VAL 78 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 2jrl s VAL 78 CO 0.02 0.33 -0.11 0.27 0.00 0.00 0.00 175.10 175.61 2jrl s ILE 79 N 1.09 0.90 -0.10 2.22 -4.36 -1.23 -3.22 121.20 116.50 2jrl s ILE 79 Ca 0.09 -0.61 -0.16 0.00 -0.26 0.00 0.00 60.65 59.71 2jrl s ILE 79 Cb -0.14 -0.78 0.04 0.00 1.25 0.00 0.00 42.46 42.83 2jrl s ILE 79 CO 0.05 0.16 0.40 0.28 0.24 0.00 0.00 174.94 176.07 2jrl s THR 80 N -0.44 0.02 -0.26 8.37 -1.32 -1.17 0.32 115.64 121.16 2jrl s THR 80 Ca 0.03 -0.17 0.22 0.00 -1.21 0.00 0.00 61.69 60.56 2jrl s THR 80 Cb -0.05 -0.62 0.06 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 0.00 174.62 174.70 2jrl h GLY 81 N 4.72 0.00 1.94 6.08 0.00 -1.89 -2.32 103.07 111.60 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 0.31 0.00 -0.05 0.45 0.00 0.00 0.00 176.54 177.25 2jrl h HIS 82 N 0.00 0.07 -2.91 5.60 3.86 -1.99 -3.43 115.15 116.35 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 1.08 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2jrl h HIS 82 CO 0.00 0.13 -0.68 0.41 0.86 0.00 0.00 177.93 178.65 2jrl n GLY 83 N -1.28 -4.52 3.21 2.45 0.00 -1.25 -5.09 105.19 98.71 2jrl n GLY 83 Ca -0.02 -0.62 0.04 0.00 0.00 0.00 0.00 46.02 45.42 2jrl n GLY 83 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jrl s SER 84 N -1.91 -0.06 0.09 1.61 0.15 -1.26 -5.05 113.70 107.27 2jrl s SER 84 Ca 0.00 0.08 -0.16 0.00 0.70 0.00 0.00 55.95 56.57 2jrl s SER 84 Cb 0.00 1.06 -0.09 0.00 -1.71 0.00 0.00 66.02 65.28 2jrl s SER 84 CO 0.00 -0.01 1.43 1.62 1.20 0.00 0.00 173.24 177.48 2jrl h VAL 85 N 5.05 1.31 0.67 4.45 3.04 -1.98 -1.35 116.25 127.42 2jrl h VAL 85 Ca -0.14 -1.32 -0.03 0.00 -1.01 0.00 0.00 66.70 64.20 2jrl h VAL 85 Cb 1.13 1.58 -0.00 0.00 -2.01 0.00 0.00 31.29 31.99 2jrl h VAL 85 CO 0.07 0.42 -0.40 0.44 -1.01 0.00 0.00 177.57 177.09 2jrl h ASP 86 N 0.32 -1.00 0.06 3.17 3.32 -2.00 -1.30 116.42 118.99 2jrl h ASP 86 Ca 0.05 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2jrl h ASP 86 Cb 0.73 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 2jrl h ASP 86 CO 0.05 -0.63 -0.05 0.74 -1.72 0.00 0.00 179.24 177.64 2jrl h THR 87 N -1.00 0.96 -0.00 0.35 2.02 -1.97 -2.62 112.91 110.64 2jrl h THR 87 Ca -0.08 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 2jrl h THR 87 Cb 0.80 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 2jrl h THR 87 CO 0.09 0.05 0.00 0.00 0.37 0.00 0.00 175.52 176.03 2jrl h ALA 88 N 1.95 0.00 0.46 6.16 0.00 -0.77 -2.14 119.26 124.92 2jrl h ALA 88 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2jrl h ALA 88 Cb 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2jrl h ALA 88 CO 0.01 -0.37 -0.50 0.28 0.00 0.00 0.00 179.25 178.67 2jrl h VAL 89 N -0.25 0.00 -0.36 0.00 2.07 -0.87 -0.82 116.25 116.02 2jrl h VAL 89 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2jrl h VAL 89 Cb 0.25 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2jrl h VAL 89 CO 0.00 0.00 0.39 0.07 0.02 0.00 0.00 177.57 178.05 2jrl h LYS 90 N -0.97 0.00 0.00 1.57 2.10 -1.58 0.79 116.57 118.48 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 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2jrl h LYS 90 CO -0.08 0.00 -0.14 0.00 -2.00 0.00 0.00 179.45 177.23 2jrl n ALA 91 N -2.34 2.47 0.02 0.07 0.00 -0.44 -2.94 120.51 117.35 2jrl n ALA 91 Ca 0.06 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2jrl n ALA 91 Cb 0.55 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 0.75 0.00 0.00 1.08 0.18 -2.47 117.51 117.05 2jrl h ILE 92 Ca 0.00 -2.46 0.00 0.00 -0.39 0.00 0.00 64.86 62.01 2jrl h ILE 92 Cb 0.69 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 2jrl h ILE 92 CO 0.00 0.82 0.00 0.11 -0.69 0.00 0.00 178.15 178.39 2jrl h LYS 93 N 0.07 0.00 0.21 2.37 1.57 -1.50 -3.29 116.57 115.99 2jrl h LYS 93 Ca -0.38 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 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 -0.10 -0.22 -0.57 0.00 0.00 179.45 178.67 2jrl h LYS 94 N 0.00 -0.27 0.00 3.15 1.63 -1.66 -3.47 116.57 115.95 2jrl h LYS 94 Ca 0.00 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 2jrl h LYS 94 Cb 0.73 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 2jrl h LYS 94 CO 0.00 -0.18 -0.01 0.41 -3.45 0.00 0.00 179.45 176.22 2jrl n GLY 95 N 0.88 0.01 3.57 5.01 0.00 -1.24 -4.88 105.19 108.53 2jrl n GLY 95 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2jrl n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrl s ALA 96 N 0.00 3.53 0.24 4.61 0.00 -0.93 -2.88 121.76 126.33 2jrl s ALA 96 Ca 0.00 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.87 2jrl s ALA 96 Cb 0.00 -2.61 0.27 0.00 0.00 0.00 0.00 23.12 20.77 2jrl s ALA 96 CO 0.00 -0.74 1.58 -0.92 0.00 0.00 0.00 175.76 175.68 2jrl h TYR 97 N 8.38 0.36 -2.69 0.00 3.20 -1.59 -3.41 116.97 121.21 2jrl h TYR 97 Ca -0.33 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.31 2jrl h TYR 97 Cb 1.17 -0.07 -0.20 0.00 1.54 0.00 0.00 36.73 39.17 2jrl h TYR 97 CO 0.73 0.78 -0.13 -2.00 -1.64 0.00 0.00 178.16 175.90 2jrl s GLU 98 N -3.87 0.78 -0.26 1.82 2.56 -1.26 -5.09 118.70 113.37 2jrl s GLU 98 Ca -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.97 54.90 2jrl s GLU 98 Cb 0.12 0.36 0.03 0.00 2.00 0.00 0.00 34.13 36.63 2jrl s GLU 98 CO 0.80 -0.22 -0.03 0.12 -0.56 0.00 0.00 175.26 175.37 2jrl s PHE 99 N -1.19 3.11 -0.08 5.30 2.19 -1.26 -3.20 117.98 122.85 2jrl s PHE 99 Ca -0.12 -1.49 0.03 0.00 0.33 0.00 0.00 56.93 55.67 2jrl s PHE 99 Cb -0.03 -2.10 0.01 0.00 -1.31 0.00 0.00 43.02 39.58 2jrl s PHE 99 CO 0.06 -0.71 -0.17 -0.51 1.83 0.00 0.00 175.22 175.72 2jrl s LEU 100 N 1.35 1.80 0.00 6.12 1.43 -1.20 -5.05 118.68 123.13 2jrl s LEU 100 Ca -0.00 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 2jrl s LEU 100 Cb -0.17 -1.06 0.22 0.00 0.03 0.00 0.00 46.19 45.21 2jrl s LEU 100 CO -0.03 0.07 0.49 -0.62 0.23 0.00 0.00 176.35 176.49 2jrl n GLU 101 N 3.77 -3.28 0.27 1.70 1.02 -1.26 -3.03 120.64 119.82 2jrl n GLU 101 Ca -0.21 -0.82 -0.12 0.00 -0.02 0.00 0.00 57.16 55.99 2jrl n GLU 101 Cb 0.52 -1.13 -0.06 0.00 -0.02 0.00 0.00 31.44 30.76 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 -0.71 -6.48 3.49 1.79 -1.69 -3.41 116.57 109.57 2jrl h LYS 102 Ca -0.22 0.05 -0.53 0.00 -2.18 0.00 0.00 60.65 57.76 2jrl h LYS 102 Cb 0.75 0.16 0.01 0.00 -1.58 0.00 0.00 32.23 31.57 2jrl h LYS 102 CO 0.13 -0.48 0.77 -1.25 -1.08 0.00 0.00 179.45 177.55 2jrl s PRO 103 N -4.75 4.31 0.03 3.15 0.04 -1.26 -4.98 135.00 131.54 2jrl s PRO 103 Ca -0.11 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.78 2jrl s PRO 103 Cb 0.02 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2jrl s PRO 103 CO 0.36 -0.49 0.41 -0.59 0.04 0.00 0.00 177.00 176.72 2jrl s PHE 104 N 1.64 -0.26 0.10 0.56 -0.12 -1.26 -5.11 117.98 113.52 2jrl s PHE 104 Ca 0.64 0.25 0.04 0.00 -0.05 0.00 0.00 56.93 57.82 2jrl s PHE 104 Cb -0.35 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 2jrl s PHE 104 CO 0.29 -0.55 0.04 -1.12 -0.05 0.00 0.00 175.22 173.83 2jrl s SER 105 N -1.90 5.26 0.55 1.98 0.01 -1.26 -4.95 113.70 113.38 2jrl s SER 105 Ca -0.06 -0.12 0.34 0.00 1.31 0.00 0.00 55.95 57.42 2jrl s SER 105 Cb -0.01 -1.32 1.50 0.00 0.21 0.00 0.00 66.02 66.39 2jrl s SER 105 CO -0.01 0.16 1.83 1.62 0.41 0.00 0.00 173.24 177.24 2jrl h VAL 106 N 2.66 0.43 -0.19 3.43 3.04 -2.02 0.44 116.25 124.04 2jrl h VAL 106 Ca -0.47 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2jrl h VAL 106 Cb 1.17 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 2jrl h VAL 106 CO 0.62 0.00 0.11 -0.08 -1.01 0.00 0.00 177.57 177.21 2jrl h GLU 107 N 0.00 0.26 0.00 4.17 4.81 -1.99 0.18 114.58 122.01 2jrl h GLU 107 Ca 0.47 -0.03 -0.23 0.00 -0.13 0.00 0.00 59.36 59.44 2jrl h GLU 107 Cb 1.97 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 31.26 2jrl h GLU 107 CO -0.00 0.23 -1.29 -0.09 -0.73 0.00 0.00 179.01 177.12 2jrl h ARG 108 N 0.21 0.00 -0.08 1.92 9.65 -1.24 -3.05 114.38 121.79 2jrl h ARG 108 Ca 0.07 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 2jrl h ARG 108 Cb 0.04 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2jrl h ARG 108 CO -0.01 0.70 -0.03 0.35 2.80 0.00 0.00 179.97 183.78 2jrl h PHE 109 N 0.00 0.18 -0.45 2.20 3.04 -0.15 -2.52 116.94 119.24 2jrl h PHE 109 Ca -0.14 -0.04 -0.11 0.00 3.98 0.00 0.00 57.97 61.66 2jrl h PHE 109 Cb 1.83 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.28 2jrl h PHE 109 CO 0.00 0.50 -0.15 1.37 -2.02 0.00 0.00 178.31 178.01 2jrl h LEU 110 N -0.19 0.85 -1.74 0.59 8.10 -0.78 -2.73 115.31 119.42 2jrl h LEU 110 Ca 0.02 -0.28 -0.01 0.00 0.11 0.00 0.00 57.88 57.72 2jrl h LEU 110 Cb 0.45 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.42 2jrl h LEU 110 CO 0.01 1.01 0.06 0.25 -4.11 0.00 0.00 178.44 175.65 2jrl h LEU 111 N 0.76 0.20 -0.01 0.17 5.85 -1.51 -1.71 115.31 119.05 2jrl h LEU 111 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2jrl h LEU 111 Cb 0.67 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 2jrl h LEU 111 CO 0.05 0.19 0.00 0.74 -0.34 0.00 0.00 178.44 179.08 2jrl h THR 112 N 0.23 1.25 0.80 1.05 2.02 -1.13 -2.61 112.91 114.51 2jrl h THR 112 Ca 0.06 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 2jrl h THR 112 Cb 0.07 1.73 0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2jrl h THR 112 CO -0.01 0.19 -0.39 0.40 0.37 0.00 0.00 175.52 176.09 2jrl h ILE 113 N -0.29 0.10 -0.93 3.11 1.08 -1.42 0.41 117.51 119.58 2jrl h ILE 113 Ca 0.00 -0.14 0.26 0.00 -0.39 0.00 0.00 64.86 64.59 2jrl h ILE 113 Cb 0.31 0.12 -0.16 0.00 -3.07 0.00 0.00 36.82 34.02 2jrl h ILE 113 CO 0.00 0.01 0.13 0.50 -0.69 0.00 0.00 178.15 178.10 2jrl h LYS 114 N -1.21 0.08 0.00 2.37 3.64 -1.41 0.91 116.57 120.96 2jrl h LYS 114 Ca -0.11 -0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 2jrl h LYS 114 Cb 0.84 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2jrl h LYS 114 CO 0.18 0.05 -0.81 0.45 -2.27 0.00 0.00 179.45 177.06 2jrl h HIS 115 N 0.08 0.00 -0.73 1.91 3.86 -1.35 -3.16 115.15 115.77 2jrl h HIS 115 Ca 0.58 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.91 2jrl h HIS 115 Cb 1.21 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.60 2jrl h HIS 115 CO -0.37 0.81 0.32 0.00 0.86 0.00 0.00 177.93 179.54 2jrl h ALA 116 N 1.19 1.02 0.19 2.45 0.00 0.54 -0.37 119.26 124.28 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 1.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2jrl h ALA 116 CO 0.10 -0.14 -0.09 0.74 0.00 0.00 0.00 179.25 179.86 2jrl h PHE 117 N 0.51 -0.23 -0.97 0.00 -1.00 -1.49 -2.70 116.94 111.06 2jrl h PHE 117 Ca 0.39 -0.01 0.32 0.00 2.81 0.00 0.00 57.97 61.48 2jrl h PHE 117 Cb 0.52 0.08 -0.18 0.00 3.61 0.00 0.00 35.95 39.98 2jrl h PHE 117 CO -0.14 -0.14 0.21 0.39 -1.61 0.00 0.00 178.31 177.02 2jrl n GLU 118 N -4.13 -0.07 0.14 1.51 1.02 -1.18 0.07 120.64 118.00 2jrl n GLU 118 Ca -0.03 1.41 -0.14 0.00 -0.02 0.00 0.00 57.16 58.39 2jrl n GLU 118 Cb 0.10 -2.35 -0.08 0.00 -0.02 0.00 0.00 31.44 29.09 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 -0.33 -1.02 3.49 4.57 -1.16 -2.98 114.58 117.15 2jrl h GLU 119 Ca 0.68 0.02 0.25 0.00 -1.18 0.00 0.00 59.36 59.13 2jrl h GLU 119 Cb 1.59 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 30.16 2jrl h GLU 119 CO -0.85 -0.05 0.65 -0.92 -1.18 0.00 0.00 179.01 176.66 2jrl h TYR 120 N -0.62 0.72 0.00 0.92 5.03 -0.02 -3.52 116.97 119.49 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 0.44 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.51 2jrl h TYR 120 CO 0.01 0.09 0.00 0.45 -1.32 0.00 0.00 178.16 177.39