#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrl n LYS 2 N 0.00 -1.53 -2.76 2.12 4.76 -1.26 -4.75 118.16 114.74 2jrl n LYS 2 Ca 0.00 0.82 -0.43 0.00 -2.87 0.00 0.00 58.31 55.84 2jrl n LYS 2 Cb 0.00 -5.19 -0.04 0.00 -1.84 0.00 0.00 35.03 27.96 2jrl n LYS 2 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2jrl s ARG 3 N -3.74 3.31 -0.02 1.97 0.52 -1.26 -1.80 118.95 117.93 2jrl s ARG 3 Ca 0.00 -0.27 0.08 0.00 -0.52 0.00 0.00 55.73 55.02 2jrl s ARG 3 Cb 0.00 -4.09 -0.02 0.00 0.52 0.00 0.00 34.95 31.36 2jrl s ARG 3 CO 0.00 -1.65 -0.25 0.54 0.02 0.00 0.00 175.30 173.96 2jrl s VAL 4 N 4.35 1.94 -0.18 3.52 0.11 -1.10 -3.72 120.40 125.32 2jrl s VAL 4 Ca 0.32 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2jrl s VAL 4 Cb -0.12 -1.61 0.01 0.00 -1.53 0.00 0.00 36.38 33.13 2jrl s VAL 4 CO 0.18 0.54 -0.16 -0.22 -3.33 0.00 0.00 175.10 172.11 2jrl s LEU 5 N -0.59 2.33 -0.40 2.54 2.96 -1.22 -2.48 118.68 121.82 2jrl s LEU 5 Ca 0.09 -0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 53.26 2jrl s LEU 5 Cb -0.09 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2jrl s LEU 5 CO -0.01 0.01 0.42 -0.69 -1.32 0.00 0.00 176.35 174.77 2jrl s VAL 6 N 1.24 5.10 -0.36 1.68 1.01 0.29 -1.11 120.40 128.26 2jrl s VAL 6 Ca 0.03 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 2jrl s VAL 6 Cb -0.14 -3.98 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 2jrl s VAL 6 CO -0.09 -0.33 0.49 -0.69 0.00 0.00 0.00 175.10 174.49 2jrl s VAL 7 N 2.13 5.03 -0.29 2.92 1.01 0.15 -2.51 120.40 128.84 2jrl s VAL 7 Ca 0.12 0.25 -0.16 0.00 0.00 0.00 0.00 61.98 62.19 2jrl s VAL 7 Cb -0.17 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 32.37 2jrl s VAL 7 CO 0.13 -0.23 0.88 -1.81 0.00 0.00 0.00 175.10 174.07 2jrl s ASP 8 N 1.77 -0.65 0.00 3.32 1.11 0.28 -3.03 116.67 119.46 2jrl s ASP 8 Ca 0.18 1.05 0.00 0.00 0.18 0.00 0.00 52.55 53.95 2jrl s ASP 8 Cb -0.16 1.26 0.00 0.00 1.07 0.00 0.00 42.92 45.09 2jrl s ASP 8 CO 0.13 -0.17 0.64 -0.90 1.18 0.00 0.00 175.17 176.06 2jrl n ASP 9 N 3.84 0.09 -4.10 0.27 5.75 -1.25 -4.25 116.55 116.91 2jrl n ASP 9 Ca -0.19 -1.37 -0.37 0.00 -0.01 0.00 0.00 54.79 52.85 2jrl n ASP 9 Cb 0.58 -0.04 -0.09 0.00 -1.03 0.00 0.00 41.12 40.53 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 -1.87 2.62 0.66 0.11 2.56 -1.26 -4.91 118.70 116.61 2jrl s GLU 10 Ca 0.00 -2.58 0.38 0.00 0.00 0.00 0.00 54.97 52.76 2jrl s GLU 10 Cb 0.00 -3.75 2.08 0.00 2.00 0.00 0.00 34.13 34.45 2jrl s GLU 10 CO 0.00 -1.18 2.19 1.49 -0.56 0.00 0.00 175.26 177.20 2jrl h GLU 11 N 6.96 0.00 -0.12 4.30 4.81 -1.98 -1.55 114.58 127.00 2jrl h GLU 11 Ca -0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2jrl h GLU 11 Cb 0.94 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 2jrl h GLU 11 CO 0.72 0.00 -0.04 0.77 -0.73 0.00 0.00 179.01 179.73 2jrl h SER 12 N 0.00 0.25 0.34 1.04 0.02 -1.95 -2.09 113.55 111.16 2jrl h SER 12 Ca 0.01 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2jrl h SER 12 Cb 0.27 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2jrl h SER 12 CO -0.00 0.58 -0.16 0.40 -1.14 0.00 0.00 176.83 176.51 2jrl h ILE 13 N -0.08 0.16 -1.15 3.27 1.08 -1.72 -3.18 117.51 115.88 2jrl h ILE 13 Ca 0.03 -0.72 0.32 0.00 -0.39 0.00 0.00 64.86 64.10 2jrl h ILE 13 Cb 0.47 0.26 -0.08 0.00 -3.07 0.00 0.00 36.82 34.40 2jrl h ILE 13 CO 0.01 0.04 0.77 0.71 -0.69 0.00 0.00 178.15 179.00 2jrl h THR 14 N -1.08 0.42 -0.38 -0.27 1.35 -1.54 0.24 112.91 111.65 2jrl h THR 14 Ca -0.05 -0.07 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 2jrl h THR 14 Cb 0.41 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 67.01 2jrl h THR 14 CO 0.08 0.04 0.19 -1.28 -0.25 0.00 0.00 175.52 174.30 2jrl h SER 15 N 0.21 0.48 0.26 5.36 0.87 -1.41 0.10 113.55 119.42 2jrl h SER 15 Ca 0.62 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 61.06 2jrl h SER 15 Cb 1.96 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.80 2jrl h SER 15 CO -0.21 0.45 -0.12 -1.28 -0.53 0.00 0.00 176.83 175.14 2jrl h SER 16 N 0.47 -0.30 -0.05 6.23 0.87 -0.55 -2.50 113.55 117.73 2jrl h SER 16 Ca 0.13 -0.22 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2jrl h SER 16 Cb 0.09 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2jrl h SER 16 CO -0.02 0.12 0.08 -0.07 -0.53 0.00 0.00 176.83 176.40 2jrl h LEU 17 N -0.77 0.00 -0.26 2.23 3.38 -1.28 -0.02 115.31 118.60 2jrl h LEU 17 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2jrl h LEU 17 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2jrl h LEU 17 CO 0.06 0.00 -0.88 0.28 0.09 0.00 0.00 178.44 177.99 2jrl h SER 18 N 0.00 0.03 -0.39 -0.43 0.02 -0.65 -2.35 113.55 109.78 2jrl h SER 18 Ca 0.03 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2jrl h SER 18 Cb 0.18 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2jrl h SER 18 CO -0.00 0.89 -0.15 0.00 -1.14 0.00 0.00 176.83 176.43 2jrl h ALA 19 N 1.11 0.54 -0.02 3.77 0.00 -0.54 -1.32 119.26 122.79 2jrl h ALA 19 Ca -0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.35 2jrl h ALA 19 Cb 1.54 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2jrl h ALA 19 CO 0.12 0.46 -0.84 0.82 0.00 0.00 0.00 179.25 179.81 2jrl h ILE 20 N 0.60 1.43 -0.23 0.00 1.08 -1.57 -2.57 117.51 116.25 2jrl h ILE 20 Ca 0.09 -2.40 -0.05 0.00 -0.39 0.00 0.00 64.86 62.11 2jrl h ILE 20 Cb 0.70 2.33 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 2jrl h ILE 20 CO 0.05 0.71 -0.04 0.25 -0.69 0.00 0.00 178.15 178.43 2jrl h LEU 21 N 0.19 0.43 -1.41 1.44 5.85 -1.37 -2.80 115.31 117.64 2jrl h LEU 21 Ca -0.05 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 2jrl h LEU 21 Cb 1.45 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2jrl h LEU 21 CO 0.14 0.68 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.39 2jrl h GLU 22 N 0.17 0.00 -0.40 1.25 5.08 -1.30 -1.43 114.58 117.95 2jrl h GLU 22 Ca 0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 2jrl h GLU 22 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2jrl h GLU 22 CO 0.02 0.20 -0.29 1.49 -1.00 0.00 0.00 179.01 179.43 2jrl h GLU 23 N 0.00 0.86 0.00 2.33 4.81 -1.22 -2.44 114.58 118.92 2jrl h GLU 23 Ca -0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 2jrl h GLU 23 Cb 0.60 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2jrl h GLU 23 CO 0.03 1.03 0.00 0.39 -0.73 0.00 0.00 179.01 179.73 2jrl n GLU 24 N -4.09 0.91 -0.06 1.92 -0.58 -1.08 -4.82 120.64 112.84 2jrl n GLU 24 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2jrl n GLU 24 Cb 0.48 -1.26 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.62 0.92 3.70 0.62 0.00 -0.92 -5.05 105.19 105.08 2jrl n GLY 25 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.39 2.01 -0.58 1.61 2.02 -0.56 -4.95 117.35 114.51 2jrl s TYR 26 Ca 0.00 0.87 0.03 0.00 -0.37 0.00 0.00 57.07 57.60 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 -2.90 0.35 -1.01 -1.57 0.00 0.00 175.55 170.42 2jrl s HIS 27 N -3.07 3.31 0.45 2.71 3.76 -0.75 -3.86 115.29 117.84 2jrl s HIS 27 Ca 0.66 -3.12 -0.23 0.00 -0.15 0.00 0.00 55.06 52.21 2jrl s HIS 27 Cb -0.16 -2.88 -0.08 0.00 1.11 0.00 0.00 32.58 30.57 2jrl s HIS 27 CO 0.56 -0.73 1.17 -1.25 -0.85 0.00 0.00 174.74 173.65 2jrl s PRO 28 N -0.49 3.83 0.14 8.40 0.04 -1.25 -2.72 135.00 142.95 2jrl s PRO 28 Ca 0.19 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.05 2jrl s PRO 28 Cb -0.21 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.82 2jrl s PRO 28 CO -0.04 -0.50 -0.07 0.34 0.04 0.00 0.00 177.00 176.77 2jrl s ASP 29 N -1.30 1.54 0.01 6.66 -1.08 -1.03 -4.93 116.67 116.53 2jrl s ASP 29 Ca 0.62 -1.05 0.05 0.00 -0.52 0.00 0.00 52.55 51.64 2jrl s ASP 29 Cb -0.29 0.04 -0.01 0.00 -1.46 0.00 0.00 42.92 41.19 2jrl s ASP 29 CO 0.36 -0.42 -0.14 0.42 0.52 0.00 0.00 175.17 175.91 2jrl s THR 30 N -3.46 1.11 -0.10 1.71 -4.23 -1.24 -0.55 115.64 108.87 2jrl s THR 30 Ca 0.17 -0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.90 2jrl s THR 30 Cb 0.04 -0.95 0.05 0.00 1.34 0.00 0.00 72.50 72.98 2jrl s THR 30 CO 0.00 0.20 0.21 0.00 -0.54 0.00 0.00 174.62 174.50 2jrl s ALA 31 N -0.51 -0.40 -0.76 3.99 0.00 -1.05 -4.95 121.76 118.07 2jrl s ALA 31 Ca 0.04 0.81 0.25 0.00 0.00 0.00 0.00 51.96 53.06 2jrl s ALA 31 Cb -0.06 -0.78 0.56 0.00 0.00 0.00 0.00 23.12 22.83 2jrl s ALA 31 CO 0.00 -0.44 1.49 0.36 0.00 0.00 0.00 175.76 177.18 2jrl n LYS 32 N 4.89 0.20 -3.86 0.00 0.00 -1.26 -0.56 118.16 117.58 2jrl n LYS 32 Ca -0.14 0.09 -0.12 0.00 -0.00 0.00 0.00 58.31 58.14 2jrl n LYS 32 Cb 0.51 -1.65 -0.13 0.00 -0.00 0.00 0.00 35.03 33.75 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 -3.11 0.00 0.02 0.58 -4.23 -1.26 -4.49 115.64 103.16 2jrl s THR 33 Ca 0.09 -0.03 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 2jrl s THR 33 Cb 0.15 -0.09 -0.17 0.00 1.34 0.00 0.00 72.50 73.72 2jrl s THR 33 CO 0.67 -0.02 1.36 -0.07 -0.54 0.00 0.00 174.62 176.02 2jrl h LEU 34 N 6.01 -0.24 -1.00 4.79 3.38 -1.94 -2.99 115.31 123.32 2jrl h LEU 34 Ca -0.25 -0.20 0.39 0.00 0.09 0.00 0.00 57.88 57.92 2jrl h LEU 34 Cb 1.21 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.84 2jrl h LEU 34 CO 0.47 0.08 0.55 0.08 0.09 0.00 0.00 178.44 179.71 2jrl h ARG 35 N -0.57 0.08 -0.43 1.13 -0.00 -1.99 1.33 114.38 113.93 2jrl h ARG 35 Ca -0.03 -0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.81 2jrl h ARG 35 Cb 0.42 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.36 2jrl h ARG 35 CO 0.05 0.05 -0.27 1.49 -0.00 0.00 0.00 179.97 181.29 2jrl h GLU 36 N 0.08 0.91 0.00 0.08 4.57 -1.97 -2.67 114.58 115.59 2jrl h GLU 36 Ca 0.82 -0.41 -0.02 0.00 -1.18 0.00 0.00 59.36 58.57 2jrl h GLU 36 Cb 2.10 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.67 2jrl h GLU 36 CO -0.73 1.07 -0.09 0.00 -1.18 0.00 0.00 179.01 178.08 2jrl h ALA 37 N 0.91 1.00 0.01 2.92 0.00 0.17 -3.10 119.26 121.17 2jrl h ALA 37 Ca 0.09 -0.08 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 2jrl h ALA 37 Cb 0.83 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.63 2jrl h ALA 37 CO 0.07 0.11 -0.88 0.93 0.00 0.00 0.00 179.25 179.48 2jrl h GLU 38 N 0.00 0.58 -0.24 0.00 5.08 -0.51 -0.65 114.58 118.84 2jrl h GLU 38 Ca -0.00 -0.64 0.01 0.00 -1.00 0.00 0.00 59.36 57.73 2jrl h GLU 38 Cb 0.68 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 2jrl h GLU 38 CO 0.01 1.24 0.14 0.87 -1.00 0.00 0.00 179.01 180.28 2jrl h LYS 39 N 0.19 0.29 -0.12 2.33 1.79 -1.41 -2.08 116.57 117.55 2jrl h LYS 39 Ca -0.11 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.13 2jrl h LYS 39 Cb 1.56 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 2jrl h LYS 39 CO 0.17 0.19 -0.77 1.57 -1.08 0.00 0.00 179.45 179.53 2jrl h LYS 40 N 0.30 0.63 -0.56 3.15 2.10 -1.63 -2.62 116.57 117.93 2jrl h LYS 40 Ca 0.09 -0.52 0.12 0.00 -2.00 0.00 0.00 60.65 58.34 2jrl h LYS 40 Cb -0.01 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 31.40 2jrl h LYS 40 CO -0.04 1.14 0.39 0.82 -2.00 0.00 0.00 179.45 179.76 2jrl h ILE 41 N 0.43 0.83 -0.02 0.07 2.04 -0.88 0.28 117.51 120.26 2jrl h ILE 41 Ca -0.05 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2jrl h ILE 41 Cb 1.38 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2jrl h ILE 41 CO 0.15 0.04 -0.13 0.29 0.00 0.00 0.00 178.15 178.50 2jrl n LYS 42 N -4.44 1.80 -0.07 2.37 5.02 -0.80 -3.96 118.16 118.08 2jrl n LYS 42 Ca 0.10 -1.39 0.07 0.00 -2.02 0.00 0.00 58.31 55.07 2jrl n LYS 42 Cb 0.47 -1.47 0.10 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.61 1.52 -3.86 1.97 0.28 0.84 -5.02 120.64 116.98 2jrl n GLU 43 Ca 0.14 -1.59 -0.08 0.00 -0.16 0.00 0.00 57.16 55.47 2jrl n GLU 43 Cb 0.50 -1.29 -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 -1.11 -0.12 -0.27 -1.84 2.34 -0.30 -5.02 118.68 112.37 2jrl s LEU 44 Ca 0.20 -0.65 -0.13 0.00 0.06 0.00 0.00 54.13 53.61 2jrl s LEU 44 Cb 0.13 2.47 -0.04 0.00 -0.56 0.00 0.00 46.19 48.18 2jrl s LEU 44 CO 0.18 -1.27 0.30 0.12 -1.06 0.00 0.00 176.35 174.62 2jrl s PHE 45 N -3.93 3.25 -0.17 3.48 2.19 -1.26 -4.76 117.98 116.77 2jrl s PHE 45 Ca 0.13 0.31 0.01 0.00 0.33 0.00 0.00 56.93 57.70 2jrl s PHE 45 Cb -0.04 -2.49 0.03 0.00 -1.31 0.00 0.00 43.02 39.21 2jrl s PHE 45 CO 0.06 -0.18 -0.15 -0.59 1.83 0.00 0.00 175.22 176.19 2jrl s PHE 46 N 1.87 2.45 -0.02 10.12 -0.71 -1.26 -4.95 117.98 125.48 2jrl s PHE 46 Ca 0.12 -1.46 -0.22 0.00 -1.04 0.00 0.00 56.93 54.33 2jrl s PHE 46 Cb -0.16 -1.72 -0.14 0.00 -1.21 0.00 0.00 43.02 39.79 2jrl s PHE 46 CO 0.10 -0.74 0.96 -1.00 -1.34 0.00 0.00 175.22 173.21 2jrl h PRO 47 N 7.99 -0.44 -4.61 1.99 0.13 -1.94 -3.45 132.00 131.68 2jrl h PRO 47 Ca -0.38 0.03 -0.40 0.00 -0.87 0.00 0.00 66.00 64.38 2jrl h PRO 47 Cb 1.13 0.10 -0.30 0.00 0.13 0.00 0.00 31.00 32.06 2jrl h PRO 47 CO 0.55 -0.12 -0.78 0.14 -0.23 0.00 0.00 178.00 177.56 2jrl s VAL 48 N -3.96 0.69 0.03 1.56 -7.23 -1.25 -2.59 120.40 107.64 2jrl s VAL 48 Ca -0.12 -0.35 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 2jrl s VAL 48 Cb 0.01 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.34 2jrl s VAL 48 CO 0.43 0.21 -0.07 -0.63 -0.31 0.00 0.00 175.10 174.73 2jrl s ILE 49 N -0.03 0.52 -0.16 -0.62 1.01 -0.80 -3.43 121.20 117.67 2jrl s ILE 49 Ca 0.01 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 2jrl s ILE 49 Cb -0.05 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 2jrl s ILE 49 CO -0.00 -0.21 -0.12 -0.69 0.00 0.00 0.00 174.94 173.93 2jrl s VAL 50 N -0.95 2.98 -0.13 2.92 1.01 -0.26 -0.23 120.40 125.73 2jrl s VAL 50 Ca -0.06 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2jrl s VAL 50 Cb -0.07 -2.28 0.05 0.00 0.00 0.00 0.00 36.38 34.07 2jrl s VAL 50 CO 0.00 0.50 0.03 -0.22 0.00 0.00 0.00 175.10 175.40 2jrl s LEU 51 N 0.84 0.81 0.92 3.92 2.96 -0.67 0.33 118.68 127.79 2jrl s LEU 51 Ca -0.04 -0.46 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 2jrl s LEU 51 Cb -0.15 -0.48 0.14 0.00 0.50 0.00 0.00 46.19 46.20 2jrl s LEU 51 CO 0.00 -0.26 1.11 -0.62 -1.32 0.00 0.00 176.35 175.26 2jrl s ASP 52 N 1.94 3.36 -0.10 3.68 -1.08 -1.17 -3.39 116.67 119.91 2jrl s ASP 52 Ca 0.02 1.19 -0.23 0.00 -0.52 0.00 0.00 52.55 53.01 2jrl s ASP 52 Cb -0.15 -1.84 -0.28 0.00 -1.46 0.00 0.00 42.92 39.19 2jrl s ASP 52 CO -0.07 -2.67 0.74 0.58 0.52 0.00 0.00 175.17 174.27 2jrl h VAL 53 N -1.58 1.48 -0.21 1.11 2.07 -0.41 -3.30 116.25 115.42 2jrl h VAL 53 Ca -0.51 -2.43 -0.19 0.00 0.82 0.00 0.00 66.70 64.39 2jrl h VAL 53 Cb 1.31 3.11 -0.00 0.00 -1.52 0.00 0.00 31.29 34.19 2jrl h VAL 53 CO 0.59 0.65 0.58 1.87 0.02 0.00 0.00 177.57 181.27 2jrl n TRP 54 N -4.28 1.53 -4.64 1.57 -0.00 -1.26 -3.80 117.44 106.56 2jrl n TRP 54 Ca -0.16 -0.72 -0.30 0.00 -0.00 0.00 0.00 57.50 56.33 2jrl n TRP 54 Cb 0.71 -2.45 -0.14 0.00 -0.00 0.00 0.00 31.31 29.44 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 7.56 1.59 -0.01 5.87 -1.94 -1.26 -4.68 119.30 126.43 2jrl s MET 55 Ca 0.75 -1.23 -0.24 0.00 -1.71 0.00 0.00 55.69 53.25 2jrl s MET 55 Cb -0.01 -1.94 -0.19 0.00 2.01 0.00 0.00 34.83 34.71 2jrl s MET 55 CO 0.18 0.48 1.29 -1.00 -0.01 0.00 0.00 175.02 175.96 2jrl h PRO 56 N 4.32 0.10 0.13 2.03 0.13 -1.89 -3.31 132.00 133.51 2jrl h PRO 56 Ca -0.49 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2jrl h PRO 56 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2jrl h PRO 56 CO 0.41 0.56 -0.06 0.22 -0.23 0.00 0.00 178.00 178.89 2jrl h ASP 57 N -0.36 -0.15 0.00 1.44 1.82 -1.97 -3.48 116.42 113.72 2jrl h ASP 57 Ca 0.01 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2jrl h ASP 57 Cb 0.54 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.59 2jrl h ASP 57 CO 0.01 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 2jrl n GLY 58 N -0.85 0.79 3.18 -0.78 0.00 -1.25 -5.08 105.19 101.21 2jrl n GLY 58 Ca -0.08 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 2jrl n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jrl n ASP 59 N 0.00 -4.19 -0.01 1.61 8.00 -1.26 -4.48 116.55 116.22 2jrl n ASP 59 Ca 0.00 0.22 -0.20 0.00 0.71 0.00 0.00 54.79 55.52 2jrl n ASP 59 Cb 0.00 -0.94 -0.14 0.00 -0.02 0.00 0.00 41.12 40.02 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 2.63 -0.56 0.29 0.44 0.00 -1.24 -3.53 105.19 103.23 2jrl n GLY 60 Ca 0.02 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 0.06 0.54 0.00 1.61 3.04 -1.88 0.24 116.25 119.87 2jrl h VAL 61 Ca -0.44 -0.13 -0.12 0.00 -1.01 0.00 0.00 66.70 65.00 2jrl h VAL 61 Cb 2.02 0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 31.40 2jrl h VAL 61 CO 0.07 0.07 -0.58 -1.13 -1.01 0.00 0.00 177.57 174.99 2jrl h ASN 62 N 0.39 0.00 -0.41 3.17 -1.24 -1.96 -3.18 115.58 112.35 2jrl h ASN 62 Ca 0.48 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.54 2jrl h ASN 62 Cb 0.83 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.86 2jrl h ASN 62 CO -0.49 0.58 0.28 0.15 -1.29 0.00 0.00 177.43 176.66 2jrl h PHE 63 N 0.00 0.32 -0.82 0.67 3.57 -0.57 -2.08 116.94 118.03 2jrl h PHE 63 Ca -0.01 0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.68 2jrl h PHE 63 Cb 1.29 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.82 2jrl h PHE 63 CO 0.00 0.18 0.34 0.82 -2.23 0.00 0.00 178.31 177.42 2jrl h ILE 64 N 0.33 0.58 -0.89 1.41 2.04 -1.45 -1.24 117.51 118.28 2jrl h ILE 64 Ca 0.18 -0.15 0.23 0.00 1.00 0.00 0.00 64.86 66.12 2jrl h ILE 64 Cb 0.29 0.11 -0.17 0.00 -0.74 0.00 0.00 36.82 36.31 2jrl h ILE 64 CO -0.04 0.08 -0.05 -0.67 0.00 0.00 0.00 178.15 177.47 2jrl n ASP 65 N -5.02 -0.17 -0.08 1.72 -0.08 -0.78 0.96 116.55 113.10 2jrl n ASP 65 Ca 0.18 1.53 -0.12 0.00 -1.51 0.00 0.00 54.79 54.87 2jrl n ASP 65 Cb 0.51 -0.53 -0.05 0.00 2.34 0.00 0.00 41.12 43.40 2jrl n ASP 65 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2jrl h PHE 66 N 0.00 0.51 0.09 -0.67 3.57 -1.42 -2.82 116.94 116.20 2jrl h PHE 66 Ca 0.51 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.91 2jrl h PHE 66 Cb 0.99 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 2jrl h PHE 66 CO -0.52 0.67 -0.12 0.82 -2.23 0.00 0.00 178.31 176.93 2jrl h ILE 67 N 0.20 0.73 0.00 1.41 2.04 0.64 -0.19 117.51 122.34 2jrl h ILE 67 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2jrl h ILE 67 Cb 0.50 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 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 -5.24 0.03 -0.02 2.37 4.76 0.95 0.11 118.16 121.12 2jrl n LYS 68 Ca -0.07 0.49 -0.21 0.00 -2.87 0.00 0.00 58.31 55.65 2jrl n LYS 68 Cb 0.16 -1.58 -0.14 0.00 -1.84 0.00 0.00 35.03 31.63 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 -1.64 0.74 -0.55 1.97 2.13 -0.21 -3.87 120.64 119.21 2jrl n GLU 69 Ca 0.00 0.25 0.03 0.00 0.66 0.00 0.00 57.16 58.10 2jrl n GLU 69 Cb 0.03 -1.68 0.22 0.00 0.27 0.00 0.00 31.44 30.29 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 -3.46 3.04 0.00 4.31 0.23 -0.47 -4.77 115.26 114.14 2jrl n ASN 70 Ca -0.34 -3.37 0.00 0.00 -0.53 0.00 0.00 54.58 50.34 2jrl n ASN 70 Cb 1.03 -0.57 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 2jrl n ASN 70 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2jrl n SER 71 N -0.91 0.00 -0.11 0.53 7.64 0.30 -4.96 113.62 116.11 2jrl n SER 71 Ca 0.26 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.00 2jrl n SER 71 Cb 0.92 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.09 2jrl n SER 71 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2jrl h PRO 72 N 0.00 0.86 0.00 1.43 0.13 -1.67 -2.82 132.00 129.94 2jrl h PRO 72 Ca 0.00 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 1.10 0.00 -0.25 -0.23 0.00 0.00 178.00 178.62 2jrl n ASP 73 N -4.13 0.00 -4.83 1.44 9.92 -1.26 -4.79 116.55 112.90 2jrl n ASP 73 Ca -0.03 0.16 -0.32 0.00 -0.53 0.00 0.00 54.79 54.07 2jrl n ASP 73 Cb 0.52 -0.35 -0.02 0.00 -0.64 0.00 0.00 41.12 40.62 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2jrl s SER 74 N -2.71 6.40 -0.12 -2.24 1.04 -1.06 -4.95 113.70 110.07 2jrl s SER 74 Ca 0.16 1.66 0.02 0.00 0.48 0.00 0.00 55.95 58.26 2jrl s SER 74 Cb 0.13 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.75 2jrl s SER 74 CO 0.31 -0.74 -0.16 -0.69 0.98 0.00 0.00 173.24 172.95 2jrl s VAL 75 N -2.53 1.56 0.05 5.02 1.01 -1.07 -5.00 120.40 119.43 2jrl s VAL 75 Ca 0.61 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 62.00 2jrl s VAL 75 Cb -0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 2jrl s VAL 75 CO 0.31 0.45 -0.24 -0.69 0.00 0.00 0.00 175.10 174.94 2jrl s VAL 76 N 1.03 2.34 -0.24 2.92 1.01 -1.16 -1.91 120.40 124.39 2jrl s VAL 76 Ca -0.05 -1.35 -0.08 0.00 0.00 0.00 0.00 61.98 60.50 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 0.34 0.09 -0.63 0.00 0.00 0.00 175.10 174.88 2jrl s ILE 77 N -0.85 4.63 -0.23 2.22 1.09 0.69 -1.62 121.20 127.12 2jrl s ILE 77 Ca 0.13 -0.07 -0.15 0.00 -1.10 0.00 0.00 60.65 59.46 2jrl s ILE 77 Cb -0.10 -3.15 -0.04 0.00 -1.06 0.00 0.00 42.46 38.10 2jrl s ILE 77 CO 0.03 0.35 0.35 -0.69 -0.10 0.00 0.00 174.94 174.89 2jrl s VAL 78 N 1.32 5.21 0.06 2.92 1.01 -1.17 -1.66 120.40 128.10 2jrl s VAL 78 Ca 0.05 0.57 0.06 0.00 0.00 0.00 0.00 61.98 62.67 2jrl s VAL 78 Cb -0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2jrl s VAL 78 CO 0.04 0.23 -0.16 0.27 0.00 0.00 0.00 175.10 175.48 2jrl s ILE 79 N 1.57 1.27 -0.12 2.22 -4.36 -1.22 -3.26 121.20 117.30 2jrl s ILE 79 Ca 0.16 -1.22 -0.18 0.00 -0.26 0.00 0.00 60.65 59.15 2jrl s ILE 79 Cb -0.15 -1.17 0.04 0.00 1.25 0.00 0.00 42.46 42.44 2jrl s ILE 79 CO 0.08 -0.07 0.46 0.28 0.24 0.00 0.00 174.94 175.94 2jrl s THR 80 N -1.04 0.01 -0.15 8.37 -1.32 -1.07 0.42 115.64 120.85 2jrl s THR 80 Ca 0.02 -0.12 0.18 0.00 -1.21 0.00 0.00 61.69 60.55 2jrl s THR 80 Cb -0.09 -0.70 -0.09 0.00 -1.51 0.00 0.00 72.50 70.11 2jrl s THR 80 CO 0.02 -0.07 0.90 1.23 -2.21 0.00 0.00 174.62 174.50 2jrl h GLY 81 N 4.66 0.00 2.00 6.08 0.00 -1.88 -2.39 103.07 111.54 2jrl h GLY 81 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 2jrl h GLY 81 CO 0.28 0.00 -0.20 0.45 0.00 0.00 0.00 176.54 177.07 2jrl h HIS 82 N 0.00 0.00 -2.80 5.60 3.86 -2.00 -3.42 115.15 116.39 2jrl h HIS 82 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2jrl h HIS 82 Cb 1.45 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.92 2jrl h HIS 82 CO 0.00 0.20 -0.69 0.41 0.86 0.00 0.00 177.93 178.71 2jrl n GLY 83 N -0.63 -4.16 0.00 2.45 0.00 -1.25 -5.09 105.19 96.50 2jrl n GLY 83 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2jrl n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jrl n SER 84 N -1.13 0.00 -0.15 1.61 7.64 -1.26 -5.03 113.62 115.30 2jrl n SER 84 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2jrl n SER 84 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 2jrl n SER 84 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2jrl h VAL 85 N 0.00 1.18 0.61 0.44 3.04 -1.98 0.59 116.25 120.14 2jrl h VAL 85 Ca 0.00 -0.52 -0.03 0.00 -1.01 0.00 0.00 66.70 65.14 2jrl h VAL 85 Cb 0.00 0.70 0.01 0.00 -2.01 0.00 0.00 31.29 29.99 2jrl h VAL 85 CO 0.00 0.20 -0.30 -0.78 -1.01 0.00 0.00 177.57 175.68 2jrl h ASP 86 N 0.58 -0.72 0.09 3.17 1.82 -2.00 -1.43 116.42 117.93 2jrl h ASP 86 Ca 0.15 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.81 2jrl h ASP 86 Cb 0.12 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 2jrl h ASP 86 CO -0.02 -0.51 -0.07 0.74 -1.61 0.00 0.00 179.24 177.78 2jrl h THR 87 N -0.83 0.90 0.01 2.25 2.02 -1.95 -2.67 112.91 112.63 2jrl h THR 87 Ca -0.08 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2jrl h THR 87 Cb 0.64 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2jrl h THR 87 CO 0.13 0.06 -0.00 0.00 0.37 0.00 0.00 175.52 176.08 2jrl h ALA 88 N 1.93 -0.01 0.51 6.16 0.00 -0.44 -2.32 119.26 125.09 2jrl h ALA 88 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2jrl h ALA 88 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jrl h ALA 88 CO 0.01 -0.33 -0.50 0.28 0.00 0.00 0.00 179.25 178.71 2jrl h VAL 89 N -0.35 0.02 -0.50 0.00 2.07 -0.94 -1.16 116.25 115.40 2jrl h VAL 89 Ca -0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 2jrl h VAL 89 Cb 0.35 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2jrl h VAL 89 CO 0.00 0.00 0.45 0.07 0.02 0.00 0.00 177.57 178.11 2jrl h LYS 90 N -1.01 0.00 0.00 1.57 5.09 -1.59 0.87 116.57 121.50 2jrl h LYS 90 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.68 2jrl h LYS 90 Cb 0.87 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.20 2jrl h LYS 90 CO -0.06 0.00 -0.05 0.00 -2.09 0.00 0.00 179.45 177.25 2jrl n ALA 91 N -2.46 2.38 0.01 0.07 0.00 -0.54 -2.92 120.51 117.05 2jrl n ALA 91 Ca 0.09 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 2jrl n ALA 91 Cb 0.65 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 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 0.70 0.00 0.00 1.08 0.18 -2.50 117.51 116.97 2jrl h ILE 92 Ca 0.00 -2.43 0.00 0.00 -0.39 0.00 0.00 64.86 62.04 2jrl h ILE 92 Cb 0.63 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.90 2jrl h ILE 92 CO 0.00 0.83 0.00 0.11 -0.69 0.00 0.00 178.15 178.40 2jrl h LYS 93 N 0.06 0.00 0.20 2.37 1.57 -1.49 -3.30 116.57 115.98 2jrl h LYS 93 Ca -0.39 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 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 0.10 0.00 -0.10 -0.22 -0.57 0.00 0.00 179.45 178.66 2jrl h LYS 94 N 0.00 -0.26 0.00 3.15 1.63 -1.66 -3.47 116.57 115.96 2jrl h LYS 94 Ca 0.00 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2jrl h LYS 94 Cb 0.73 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2jrl h LYS 94 CO 0.00 -0.17 -0.01 0.41 -3.45 0.00 0.00 179.45 176.23 2jrl n GLY 95 N 0.82 0.04 3.57 5.01 0.00 -1.25 -4.89 105.19 108.49 2jrl n GLY 95 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2jrl n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jrl s ALA 96 N 0.00 3.52 0.10 4.61 0.00 -0.94 -2.97 121.76 126.09 2jrl s ALA 96 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 2jrl s ALA 96 Cb 0.00 -2.55 -0.07 0.00 0.00 0.00 0.00 23.12 20.50 2jrl s ALA 96 CO 0.00 -0.69 1.45 -0.92 0.00 0.00 0.00 175.76 175.60 2jrl h TYR 97 N 8.40 0.81 -4.03 0.00 3.20 -1.60 -3.40 116.97 120.35 2jrl h TYR 97 Ca -0.34 -0.22 -0.14 0.00 3.14 0.00 0.00 58.73 61.17 2jrl h TYR 97 Cb 1.18 -0.18 -0.18 0.00 1.54 0.00 0.00 36.73 39.09 2jrl h TYR 97 CO 0.73 0.94 -0.64 -2.00 -1.64 0.00 0.00 178.16 175.55 2jrl s GLU 98 N -4.49 0.51 -0.23 1.82 2.56 -1.26 -5.08 118.70 112.53 2jrl s GLU 98 Ca -0.13 -0.89 0.02 0.00 0.00 0.00 0.00 54.97 53.97 2jrl s GLU 98 Cb 0.09 0.18 0.04 0.00 2.00 0.00 0.00 34.13 36.44 2jrl s GLU 98 CO 0.82 -0.10 -0.14 0.12 -0.56 0.00 0.00 175.26 175.40 2jrl s PHE 99 N -2.75 3.06 -0.04 5.30 5.36 -1.26 -3.04 117.98 124.61 2jrl s PHE 99 Ca -0.04 -1.97 0.05 0.00 -0.96 0.00 0.00 56.93 54.01 2jrl s PHE 99 Cb -0.00 -1.94 -0.01 0.00 -0.34 0.00 0.00 43.02 40.72 2jrl s PHE 99 CO -0.06 -0.84 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.16 2jrl s LEU 100 N 1.20 1.99 0.00 6.12 1.43 -1.20 -5.04 118.68 123.17 2jrl s LEU 100 Ca -0.02 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.50 2jrl s LEU 100 Cb -0.17 -1.10 0.26 0.00 0.03 0.00 0.00 46.19 45.21 2jrl s LEU 100 CO -0.08 0.20 0.86 -0.62 0.23 0.00 0.00 176.35 176.94 2jrl n GLU 101 N 2.95 -2.96 0.11 1.70 1.02 -1.26 -2.61 120.64 119.59 2jrl n GLU 101 Ca -0.17 -1.38 -0.09 0.00 -0.02 0.00 0.00 57.16 55.49 2jrl n GLU 101 Cb 0.53 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.46 -6.49 3.49 1.79 -1.69 -3.42 116.57 109.80 2jrl h LYS 102 Ca -0.33 0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 57.64 2jrl h LYS 102 Cb 1.02 0.10 0.02 0.00 -1.58 0.00 0.00 32.23 31.79 2jrl h LYS 102 CO 0.21 -0.30 0.75 -1.25 -1.08 0.00 0.00 179.45 177.78 2jrl s PRO 103 N -4.47 4.32 -0.01 3.15 0.04 -1.26 -4.99 135.00 131.77 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 0.03 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.25 2jrl s PRO 103 CO 0.32 -0.47 0.42 -0.59 0.04 0.00 0.00 177.00 176.72 2jrl s PHE 104 N 1.48 -0.32 0.12 0.56 -0.12 -1.26 -5.11 117.98 113.33 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 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 2jrl s PHE 104 CO 0.29 -0.47 0.03 -1.12 -0.05 0.00 0.00 175.22 173.90 2jrl s SER 105 N -1.39 5.10 0.56 1.98 0.01 -1.26 -4.95 113.70 113.75 2jrl s SER 105 Ca -0.12 -0.19 0.32 0.00 1.31 0.00 0.00 55.95 57.27 2jrl s SER 105 Cb -0.03 -1.23 1.47 0.00 0.21 0.00 0.00 66.02 66.44 2jrl s SER 105 CO 0.05 0.14 1.82 1.62 0.41 0.00 0.00 173.24 177.28 2jrl h VAL 106 N 2.64 0.40 0.13 3.43 3.04 -2.02 0.52 116.25 124.39 2jrl h VAL 106 Ca -0.47 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.21 2jrl h VAL 106 Cb 1.18 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 2jrl h VAL 106 CO 0.61 0.00 -0.06 -0.08 -1.01 0.00 0.00 177.57 177.02 2jrl h GLU 107 N 0.00 -0.17 0.00 4.17 4.81 -1.99 0.25 114.58 121.66 2jrl h GLU 107 Ca 0.42 0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.48 2jrl h GLU 107 Cb 1.84 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.23 2jrl h GLU 107 CO -0.00 -0.05 -1.02 -0.09 -0.73 0.00 0.00 179.01 177.12 2jrl h ARG 108 N -0.25 0.00 -0.06 1.92 9.65 -1.40 -3.06 114.38 121.18 2jrl h ARG 108 Ca -0.02 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 2jrl h ARG 108 Cb 0.20 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2jrl h ARG 108 CO 0.03 0.61 -0.07 0.35 2.80 0.00 0.00 179.97 183.68 2jrl h PHE 109 N 0.00 0.19 -0.63 2.20 3.04 0.00 -2.75 116.94 119.00 2jrl h PHE 109 Ca -0.08 -0.06 -0.08 0.00 3.98 0.00 0.00 57.97 61.73 2jrl h PHE 109 Cb 1.63 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.08 2jrl h PHE 109 CO 0.00 0.62 0.06 1.37 -2.02 0.00 0.00 178.31 178.34 2jrl h LEU 110 N -0.29 1.02 -1.77 0.59 8.10 -0.63 -2.59 115.31 119.74 2jrl h LEU 110 Ca 0.01 -0.26 -0.00 0.00 0.11 0.00 0.00 57.88 57.74 2jrl h LEU 110 Cb 0.59 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 2jrl h LEU 110 CO 0.02 1.04 0.11 0.25 -4.11 0.00 0.00 178.44 175.75 2jrl h LEU 111 N 0.98 0.23 0.01 0.17 6.46 -1.55 -1.80 115.31 119.81 2jrl h LEU 111 Ca 0.19 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2jrl h LEU 111 Cb 0.48 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 2jrl h LEU 111 CO 0.02 0.19 -0.00 0.74 -0.62 0.00 0.00 178.44 178.76 2jrl h THR 112 N 0.27 1.18 0.72 1.05 2.02 -1.15 -2.54 112.91 114.47 2jrl h THR 112 Ca 0.07 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 2jrl h THR 112 Cb -0.00 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 67.97 2jrl h THR 112 CO -0.01 0.14 -0.35 0.40 0.37 0.00 0.00 175.52 176.07 2jrl h ILE 113 N -0.24 0.21 -0.92 3.11 1.08 -1.40 0.33 117.51 119.67 2jrl h ILE 113 Ca -0.00 -0.16 0.26 0.00 -0.39 0.00 0.00 64.86 64.56 2jrl h ILE 113 Cb 0.24 0.25 -0.16 0.00 -3.07 0.00 0.00 36.82 34.08 2jrl h ILE 113 CO 0.00 0.02 0.13 0.50 -0.69 0.00 0.00 178.15 178.11 2jrl h LYS 114 N -1.10 0.09 0.00 2.37 3.64 -1.41 0.87 116.57 121.03 2jrl h LYS 114 Ca -0.10 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.10 2jrl h LYS 114 Cb 0.76 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 2jrl h LYS 114 CO 0.16 0.06 -0.83 0.45 -2.27 0.00 0.00 179.45 177.02 2jrl h HIS 115 N 0.09 0.00 -0.65 1.91 3.86 -1.33 -3.11 115.15 115.91 2jrl h HIS 115 Ca 0.58 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.89 2jrl h HIS 115 Cb 1.20 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 29.59 2jrl h HIS 115 CO -0.37 0.83 0.24 0.00 0.86 0.00 0.00 177.93 179.49 2jrl h ALA 116 N 1.17 0.86 0.19 2.45 0.00 0.49 -0.11 119.26 124.30 2jrl h ALA 116 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2jrl h ALA 116 Cb 1.52 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2jrl h ALA 116 CO 0.11 -0.20 -0.09 0.74 0.00 0.00 0.00 179.25 179.81 2jrl h PHE 117 N 0.42 -0.24 -0.98 0.00 -1.00 -1.47 -2.68 116.94 110.99 2jrl h PHE 117 Ca 0.34 -0.01 0.30 0.00 2.81 0.00 0.00 57.97 61.41 2jrl h PHE 117 Cb 0.45 0.08 -0.18 0.00 3.61 0.00 0.00 35.95 39.90 2jrl h PHE 117 CO -0.17 -0.15 0.11 0.39 -1.61 0.00 0.00 178.31 176.88 2jrl n GLU 118 N -4.13 -0.07 0.13 1.51 1.02 -1.18 0.05 120.64 117.97 2jrl n GLU 118 Ca -0.03 1.45 -0.14 0.00 -0.02 0.00 0.00 57.16 58.42 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 -0.30 -1.03 3.49 4.57 -1.11 -2.89 114.58 117.30 2jrl h GLU 119 Ca 0.64 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 59.10 2jrl h GLU 119 Cb 1.41 0.07 -0.10 0.00 -0.16 0.00 0.00 28.75 29.97 2jrl h GLU 119 CO -0.89 -0.04 0.66 -0.92 -1.18 0.00 0.00 179.01 176.64 2jrl h TYR 120 N -0.53 0.69 0.00 0.92 5.03 -0.01 -3.52 116.97 119.55 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 0.39 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.47 2jrl h TYR 120 CO -0.00 0.07 0.00 -1.13 -1.32 0.00 0.00 178.16 175.78