#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 2.92 -2.63 2.12 4.76 -1.26 -4.80 118.16 119.27 2jrl n LYS 2 Ca 0.00 -1.71 -0.41 0.00 -2.87 0.00 0.00 58.31 53.33 2jrl n LYS 2 Cb 0.00 -2.40 -0.05 0.00 -1.84 0.00 0.00 35.03 30.74 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 1.35 4.71 -0.11 1.97 0.52 -1.26 -1.74 118.95 124.39 2jrl s ARG 3 Ca 0.68 1.61 -0.08 0.00 -0.52 0.00 0.00 55.73 57.41 2jrl s ARG 3 Cb 0.25 -3.28 0.03 0.00 0.52 0.00 0.00 34.95 32.48 2jrl s ARG 3 CO -0.04 0.28 0.28 0.08 0.02 0.00 0.00 175.30 175.92 2jrl s VAL 4 N -0.70 -0.01 -0.26 3.52 1.01 -0.84 -3.61 120.40 119.51 2jrl s VAL 4 Ca 0.45 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.47 2jrl s VAL 4 Cb -0.28 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.75 2jrl s VAL 4 CO 0.34 0.02 -0.08 -0.22 0.00 0.00 0.00 175.10 175.16 2jrl s LEU 5 N 0.50 3.35 -0.47 3.92 0.20 -1.23 -2.09 118.68 122.86 2jrl s LEU 5 Ca -0.03 -1.14 -0.19 0.00 0.69 0.00 0.00 54.13 53.46 2jrl s LEU 5 Cb -0.04 -1.62 0.04 0.00 -0.43 0.00 0.00 46.19 44.14 2jrl s LEU 5 CO -0.03 -0.17 0.58 -0.69 -0.29 0.00 0.00 176.35 175.76 2jrl s VAL 6 N 1.22 4.91 -0.34 1.68 1.01 0.33 -0.85 120.40 128.37 2jrl s VAL 6 Ca -0.04 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.51 2jrl s VAL 6 Cb -0.18 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 2jrl s VAL 6 CO -0.05 -0.65 0.33 -0.69 0.00 0.00 0.00 175.10 174.04 2jrl s VAL 7 N 2.56 5.20 -0.29 2.92 1.01 0.14 -2.35 120.40 129.59 2jrl s VAL 7 Ca 0.17 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.97 2jrl s VAL 7 Cb -0.17 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.54 2jrl s VAL 7 CO 0.14 -0.07 0.91 -0.62 0.00 0.00 0.00 175.10 175.46 2jrl s ASP 8 N 1.73 -0.61 0.00 3.32 -1.08 0.62 -2.83 116.67 117.82 2jrl s ASP 8 Ca 0.10 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 53.14 2jrl s ASP 8 Cb -0.17 1.22 0.00 0.00 -1.46 0.00 0.00 42.92 42.51 2jrl s ASP 8 CO 0.11 -0.16 0.50 -0.90 0.52 0.00 0.00 175.17 175.24 2jrl n ASP 9 N 3.64 0.17 -4.07 -0.34 5.75 -1.26 -4.25 116.55 116.20 2jrl n ASP 9 Ca -0.18 -1.17 -0.35 0.00 -0.01 0.00 0.00 54.79 53.09 2jrl n ASP 9 Cb 0.58 -0.08 -0.08 0.00 -1.03 0.00 0.00 41.12 40.50 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 -1.71 2.96 0.60 0.11 2.56 -1.26 -4.90 118.70 117.06 2jrl s GLU 10 Ca 0.00 -3.12 0.30 0.00 0.00 0.00 0.00 54.97 52.15 2jrl s GLU 10 Cb 0.00 -3.80 1.64 0.00 2.00 0.00 0.00 34.13 33.96 2jrl s GLU 10 CO 0.00 -1.25 2.02 1.49 -0.56 0.00 0.00 175.26 176.97 2jrl h GLU 11 N 6.13 0.00 -0.63 4.30 4.81 -1.99 0.04 114.58 127.25 2jrl h GLU 11 Ca 0.11 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 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 0.80 0.00 0.05 1.03 -0.73 0.00 0.00 179.01 180.16 2jrl h SER 12 N 0.00 1.04 0.09 1.04 0.87 -1.95 -1.55 113.55 113.09 2jrl h SER 12 Ca 0.11 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2jrl h SER 12 Cb 0.70 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2jrl h SER 12 CO -0.00 1.07 -0.04 0.40 -0.53 0.00 0.00 176.83 177.72 2jrl h ILE 13 N 0.98 0.54 -1.01 2.23 1.08 -1.42 -3.29 117.51 116.62 2jrl h ILE 13 Ca 0.18 -1.25 0.25 0.00 -0.39 0.00 0.00 64.86 63.65 2jrl h ILE 13 Cb 0.50 0.99 -0.08 0.00 -3.07 0.00 0.00 36.82 35.16 2jrl h ILE 13 CO 0.02 0.17 0.66 0.71 -0.69 0.00 0.00 178.15 179.02 2jrl h THR 14 N -0.99 0.56 -0.88 -0.27 1.35 -1.48 0.28 112.91 111.48 2jrl h THR 14 Ca -0.01 -0.13 0.02 0.00 -0.55 0.00 0.00 66.41 65.74 2jrl h THR 14 Cb 0.37 0.16 -0.05 0.00 -1.73 0.00 0.00 68.15 66.90 2jrl h THR 14 CO 0.02 0.07 0.58 -1.28 -0.25 0.00 0.00 175.52 174.66 2jrl h SER 15 N 0.37 0.98 0.03 5.36 0.87 -1.37 0.21 113.55 120.01 2jrl h SER 15 Ca 0.55 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2jrl h SER 15 Cb 1.45 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2jrl h SER 15 CO -0.24 0.70 -0.02 -1.28 -0.53 0.00 0.00 176.83 175.46 2jrl h SER 16 N 1.15 -0.04 -0.08 6.23 0.87 -0.57 -3.11 113.55 118.01 2jrl h SER 16 Ca 0.33 -0.55 0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2jrl h SER 16 Cb -0.07 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2jrl h SER 16 CO -0.08 0.71 0.12 -0.07 -0.53 0.00 0.00 176.83 176.98 2jrl h LEU 17 N -0.96 0.00 -0.28 2.23 4.07 -1.14 0.51 115.31 119.73 2jrl h LEU 17 Ca -0.00 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.77 2jrl h LEU 17 Cb 0.58 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.30 2jrl h LEU 17 CO 0.01 0.00 -0.86 0.77 -1.08 0.00 0.00 178.44 177.28 2jrl h SER 18 N 0.00 0.01 -0.40 -0.43 4.64 -0.65 -2.39 113.55 114.33 2jrl h SER 18 Ca 0.04 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 2jrl h SER 18 Cb 0.29 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2jrl h SER 18 CO -0.00 0.86 -0.22 0.00 -0.87 0.00 0.00 176.83 176.60 2jrl h ALA 19 N 1.14 0.57 -0.02 5.18 0.00 -0.82 -1.45 119.26 123.85 2jrl h ALA 19 Ca -0.01 -0.38 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 2jrl h ALA 19 Cb 1.52 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jrl h ALA 19 CO 0.11 0.55 -0.85 0.82 0.00 0.00 0.00 179.25 179.89 2jrl h ILE 20 N 0.68 1.42 -0.22 0.00 1.08 -1.56 -2.58 117.51 116.32 2jrl h ILE 20 Ca 0.09 -2.39 -0.05 0.00 -0.39 0.00 0.00 64.86 62.13 2jrl h ILE 20 Cb 0.79 2.32 -0.01 0.00 -3.07 0.00 0.00 36.82 36.85 2jrl h ILE 20 CO 0.06 0.71 -0.04 0.25 -0.69 0.00 0.00 178.15 178.44 2jrl h LEU 21 N 0.21 0.42 -1.46 1.44 5.85 -1.38 -2.78 115.31 117.61 2jrl h LEU 21 Ca -0.05 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 2jrl h LEU 21 Cb 1.46 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2jrl h LEU 21 CO 0.14 0.67 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.68 2jrl h GLU 22 N 0.15 0.00 -0.32 1.25 4.22 -1.32 -1.15 114.58 117.42 2jrl h GLU 22 Ca 0.06 0.00 -0.15 0.00 0.08 0.00 0.00 59.36 59.34 2jrl h GLU 22 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2jrl h GLU 22 CO 0.02 0.16 -0.42 1.49 -2.18 0.00 0.00 179.01 178.08 2jrl h GLU 23 N 0.00 0.78 0.00 1.92 4.81 -1.21 -2.61 114.58 118.27 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 0.57 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.97 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 -4.03 0.95 -0.04 1.92 -0.58 -1.07 -4.83 120.64 112.96 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 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 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 0.69 0.82 3.70 0.62 0.00 -0.98 -5.06 105.19 104.98 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 -2.32 2.21 -0.62 1.61 2.02 -0.46 -4.82 117.35 114.97 2jrl s TYR 26 Ca 0.00 0.98 0.01 0.00 -0.37 0.00 0.00 57.07 57.69 2jrl s TYR 26 Cb 0.00 -3.28 0.16 0.00 -0.40 0.00 0.00 41.96 38.44 2jrl s TYR 26 CO 0.00 -2.75 0.41 -1.01 -1.57 0.00 0.00 175.55 170.63 2jrl s HIS 27 N -3.03 3.39 0.44 2.71 3.76 -0.71 -3.78 115.29 118.06 2jrl s HIS 27 Ca 0.65 -3.05 -0.24 0.00 -0.15 0.00 0.00 55.06 52.27 2jrl s HIS 27 Cb -0.18 -2.96 -0.08 0.00 1.11 0.00 0.00 32.58 30.47 2jrl s HIS 27 CO 0.57 -0.74 1.17 -1.25 -0.85 0.00 0.00 174.74 173.64 2jrl s PRO 28 N -0.54 3.85 0.13 8.40 0.04 -1.25 -1.99 135.00 143.64 2jrl s PRO 28 Ca 0.19 1.81 0.02 0.00 0.04 0.00 0.00 61.00 63.07 2jrl s PRO 28 Cb -0.19 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.81 2jrl s PRO 28 CO -0.05 -0.48 -0.05 -0.51 0.04 0.00 0.00 177.00 175.94 2jrl s ASP 29 N -1.27 1.27 0.06 6.66 1.11 -0.89 -4.93 116.67 118.69 2jrl s ASP 29 Ca 0.61 -1.06 0.07 0.00 0.18 0.00 0.00 52.55 52.36 2jrl s ASP 29 Cb -0.30 0.08 -0.03 0.00 1.07 0.00 0.00 42.92 43.75 2jrl s ASP 29 CO 0.36 -0.47 -0.20 0.42 1.18 0.00 0.00 175.17 176.46 2jrl s THR 30 N -3.58 1.59 -0.22 -1.27 -4.23 -1.23 -0.51 115.64 106.18 2jrl s THR 30 Ca 0.16 -1.28 -0.08 0.00 -1.18 0.00 0.00 61.69 59.31 2jrl s THR 30 Cb 0.05 -1.41 0.10 0.00 1.34 0.00 0.00 72.50 72.58 2jrl s THR 30 CO -0.01 0.08 0.48 0.00 -0.54 0.00 0.00 174.62 174.63 2jrl s ALA 31 N -0.94 -1.38 -0.99 3.99 0.00 -0.99 -4.92 121.76 116.53 2jrl s ALA 31 Ca 0.06 1.72 0.25 0.00 0.00 0.00 0.00 51.96 53.99 2jrl s ALA 31 Cb -0.09 -1.41 0.51 0.00 0.00 0.00 0.00 23.12 22.13 2jrl s ALA 31 CO 0.02 -0.77 1.42 0.36 0.00 0.00 0.00 175.76 176.80 2jrl n LYS 32 N 5.33 0.01 -3.86 0.00 0.00 -1.26 -0.28 118.16 118.09 2jrl n LYS 32 Ca -0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.09 2jrl n LYS 32 Cb 0.50 -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 -3.00 -0.00 0.02 0.58 -4.23 -1.26 -4.57 115.64 103.18 2jrl s THR 33 Ca 0.11 0.01 -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 73.82 2jrl s THR 33 CO 0.70 0.01 1.34 -0.07 -0.54 0.00 0.00 174.62 176.05 2jrl h LEU 34 N 6.21 -0.33 -0.98 4.79 -0.00 -1.94 -2.93 115.31 120.12 2jrl h LEU 34 Ca -0.25 -0.16 0.34 0.00 -0.00 0.00 0.00 57.88 57.80 2jrl h LEU 34 Cb 1.20 0.08 -0.18 0.00 -0.00 0.00 0.00 40.66 41.77 2jrl h LEU 34 CO 0.50 -0.01 0.26 -2.11 -0.00 0.00 0.00 178.44 177.08 2jrl n ARG 35 N -5.14 -0.07 -0.18 1.13 -4.01 -1.26 0.16 116.66 107.28 2jrl n ARG 35 Ca -0.10 1.41 -0.10 0.00 -1.04 0.00 0.00 57.85 58.03 2jrl n ARG 35 Cb 0.25 -2.38 0.01 0.00 -3.04 0.00 0.00 32.46 27.30 2jrl n ARG 35 CO 0.00 0.00 0.00 1.49 -3.04 0.00 0.00 177.63 176.08 2jrl h GLU 36 N 0.00 0.95 0.00 2.89 4.57 -1.97 -2.17 114.58 118.84 2jrl h GLU 36 Ca 0.71 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 2jrl h GLU 36 Cb 1.68 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 30.19 2jrl h GLU 36 CO -0.84 0.97 -0.09 0.00 -1.18 0.00 0.00 179.01 177.86 2jrl h ALA 37 N 0.94 1.02 0.11 2.92 0.00 0.17 -3.06 119.26 121.36 2jrl h ALA 37 Ca 0.15 -0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 2jrl h ALA 37 Cb 0.56 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.36 2jrl h ALA 37 CO 0.03 0.12 -1.04 0.93 0.00 0.00 0.00 179.25 179.29 2jrl h GLU 38 N 0.00 0.51 -0.33 0.00 5.08 -0.11 -1.04 114.58 118.68 2jrl h GLU 38 Ca -0.00 -0.70 0.05 0.00 -1.00 0.00 0.00 59.36 57.71 2jrl h GLU 38 Cb 0.61 0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 2jrl h GLU 38 CO 0.01 1.30 0.07 -0.22 -1.00 0.00 0.00 179.01 179.17 2jrl h LYS 39 N 0.05 0.18 0.01 2.33 1.63 -1.30 -2.10 116.57 117.38 2jrl h LYS 39 Ca -0.16 -0.01 -0.22 0.00 -0.85 0.00 0.00 60.65 59.40 2jrl h LYS 39 Cb 1.75 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.34 2jrl h LYS 39 CO 0.20 0.12 -0.96 1.57 -3.45 0.00 0.00 179.45 176.93 2jrl h LYS 40 N 0.19 0.35 -0.54 1.90 2.10 -1.65 -2.90 116.57 116.02 2jrl h LYS 40 Ca 0.16 -0.40 0.15 0.00 -2.00 0.00 0.00 60.65 58.56 2jrl h LYS 40 Cb 0.17 0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 2jrl h LYS 40 CO -0.20 1.09 0.39 0.82 -2.00 0.00 0.00 179.45 179.54 2jrl h ILE 41 N 0.19 0.75 -0.05 0.07 2.04 -0.74 0.35 117.51 120.12 2jrl h ILE 41 Ca -0.08 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2jrl h ILE 41 Cb 1.60 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2jrl h ILE 41 CO 0.16 0.01 0.00 0.29 0.00 0.00 0.00 178.15 178.61 2jrl n LYS 42 N -4.39 2.17 -0.07 2.37 5.02 -0.83 -4.12 118.16 118.31 2jrl n LYS 42 Ca 0.10 -1.87 0.06 0.00 -2.02 0.00 0.00 58.31 54.57 2jrl n LYS 42 Cb 0.59 -1.44 0.09 0.00 -0.02 0.00 0.00 35.03 34.25 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 1.29 1.41 -3.82 1.97 0.28 0.11 -5.02 120.64 116.85 2jrl n GLU 43 Ca 0.14 -1.50 -0.08 0.00 -0.16 0.00 0.00 57.16 55.55 2jrl n GLU 43 Cb 0.57 -1.24 -0.03 0.00 1.43 0.00 0.00 31.44 32.17 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 -0.98 -0.12 -0.26 -1.84 2.34 -0.20 -5.02 118.68 112.61 2jrl s LEU 44 Ca 0.17 -0.59 -0.12 0.00 0.06 0.00 0.00 54.13 53.65 2jrl s LEU 44 Cb 0.11 2.43 -0.05 0.00 -0.56 0.00 0.00 46.19 48.12 2jrl s LEU 44 CO 0.15 -1.22 0.23 0.12 -1.06 0.00 0.00 176.35 174.57 2jrl s PHE 45 N -3.91 3.26 -0.15 3.48 2.19 -1.26 -4.76 117.98 116.82 2jrl s PHE 45 Ca 0.12 0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.63 2jrl s PHE 45 Cb -0.04 -2.40 0.02 0.00 -1.31 0.00 0.00 43.02 39.30 2jrl s PHE 45 CO 0.04 -0.10 -0.14 -0.59 1.83 0.00 0.00 175.22 176.26 2jrl s PHE 46 N 1.60 2.18 -0.02 10.12 -0.71 -1.26 -4.99 117.98 124.89 2jrl s PHE 46 Ca 0.10 -1.25 -0.22 0.00 -1.04 0.00 0.00 56.93 54.52 2jrl s PHE 46 Cb -0.15 -1.59 -0.15 0.00 -1.21 0.00 0.00 43.02 39.92 2jrl s PHE 46 CO 0.09 -0.67 1.01 -1.00 -1.34 0.00 0.00 175.22 173.30 2jrl h PRO 47 N 8.05 -0.37 -4.55 1.99 0.13 -1.87 -3.44 132.00 131.92 2jrl h PRO 47 Ca -0.37 0.03 -0.41 0.00 -0.87 0.00 0.00 66.00 64.37 2jrl h PRO 47 Cb 1.13 0.09 -0.31 0.00 0.13 0.00 0.00 31.00 32.04 2jrl h PRO 47 CO 0.52 -0.03 -0.78 0.14 -0.23 0.00 0.00 178.00 177.62 2jrl s VAL 48 N -4.00 0.73 0.03 1.56 -7.23 -1.24 -3.10 120.40 107.15 2jrl s VAL 48 Ca -0.13 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 2jrl s VAL 48 Cb 0.01 -0.65 -0.02 0.00 0.56 0.00 0.00 36.38 36.29 2jrl s VAL 48 CO 0.47 0.23 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.76 2jrl s ILE 49 N 0.16 0.76 -0.26 -0.62 1.01 -0.84 -3.48 121.20 117.92 2jrl s ILE 49 Ca -0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 2jrl s ILE 49 Cb -0.08 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.68 2jrl s ILE 49 CO 0.00 -0.13 -0.01 -0.69 0.00 0.00 0.00 174.94 174.11 2jrl s VAL 50 N -0.93 3.31 -0.21 2.92 1.01 -0.03 -0.11 120.40 126.37 2jrl s VAL 50 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2jrl s VAL 50 Cb -0.08 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.68 2jrl s VAL 50 CO 0.01 0.18 -0.06 -0.22 0.00 0.00 0.00 175.10 175.01 2jrl s LEU 51 N 1.40 2.30 0.92 3.92 0.20 -0.06 0.24 118.68 127.59 2jrl s LEU 51 Ca 0.02 -1.02 -0.12 0.00 0.69 0.00 0.00 54.13 53.70 2jrl s LEU 51 Cb -0.17 -1.12 0.14 0.00 -0.43 0.00 0.00 46.19 44.61 2jrl s LEU 51 CO -0.02 -0.21 1.11 1.51 -0.29 0.00 0.00 176.35 178.45 2jrl s ASP 52 N 1.45 3.39 -0.10 3.68 -4.77 -1.13 -3.42 116.67 115.77 2jrl s ASP 52 Ca -0.04 1.12 -0.25 0.00 -3.30 0.00 0.00 52.55 50.09 2jrl s ASP 52 Cb -0.18 -1.76 -0.28 0.00 -1.09 0.00 0.00 42.92 39.62 2jrl s ASP 52 CO -0.07 -2.65 0.78 0.58 0.70 0.00 0.00 175.17 174.51 2jrl h VAL 53 N -1.56 1.58 -0.12 2.11 2.07 -0.83 -3.33 116.25 116.16 2jrl h VAL 53 Ca -0.51 -2.42 -0.10 0.00 0.82 0.00 0.00 66.70 64.48 2jrl h VAL 53 Cb 1.32 3.20 0.01 0.00 -1.52 0.00 0.00 31.29 34.30 2jrl h VAL 53 CO 0.60 0.64 0.29 1.87 0.02 0.00 0.00 177.57 180.99 2jrl n TRP 54 N -4.35 1.08 -4.58 1.57 -0.00 -1.26 -3.52 117.44 106.38 2jrl n TRP 54 Ca -0.14 -0.38 -0.30 0.00 -0.00 0.00 0.00 57.50 56.68 2jrl n TRP 54 Cb 0.66 -2.45 -0.13 0.00 -0.00 0.00 0.00 31.31 29.40 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 8.12 1.87 -0.02 5.87 -1.94 -1.26 -4.50 119.30 127.44 2jrl s MET 55 Ca 0.79 -1.10 -0.26 0.00 -1.71 0.00 0.00 55.69 53.41 2jrl s MET 55 Cb -0.02 -2.10 -0.20 0.00 2.01 0.00 0.00 34.83 34.51 2jrl s MET 55 CO 0.20 0.51 1.27 -1.00 -0.01 0.00 0.00 175.02 175.98 2jrl h PRO 56 N 4.30 0.01 0.47 2.03 0.13 -1.89 -3.33 132.00 133.71 2jrl h PRO 56 Ca -0.48 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.45 0.50 -0.22 0.22 -0.23 0.00 0.00 178.00 178.72 2jrl h ASP 57 N -0.47 -0.53 -3.88 1.44 1.82 -1.97 -3.48 116.42 109.35 2jrl h ASP 57 Ca 0.00 -0.04 0.17 0.00 -0.39 0.00 0.00 57.03 56.77 2jrl h ASP 57 Cb 0.50 0.14 -0.23 0.00 0.68 0.00 0.00 39.33 40.41 2jrl h ASP 57 CO 0.00 -0.28 0.72 -0.83 -1.61 0.00 0.00 179.24 177.24 2jrl s GLY 58 N -2.32 -0.18 0.88 -0.78 0.00 -1.25 -5.10 107.32 98.58 2jrl s GLY 58 Ca -0.16 2.11 -0.16 0.00 0.00 0.00 0.00 44.72 46.51 2jrl s GLY 58 CO 0.59 0.90 -0.34 1.22 0.00 0.00 0.00 173.10 175.47 2jrl n ASP 59 N 0.42 -4.44 0.05 1.64 8.00 -1.26 -4.50 116.55 116.46 2jrl n ASP 59 Ca -0.05 0.33 -0.16 0.00 0.71 0.00 0.00 54.79 55.61 2jrl n ASP 59 Cb 0.59 -0.90 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 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 -0.88 0.25 0.06 0.44 0.00 -1.67 -3.19 103.07 98.09 2jrl h GLY 60 Ca -0.44 -0.64 0.17 0.00 0.00 0.00 0.00 47.33 46.43 2jrl h GLY 60 CO 0.30 0.56 0.41 -0.24 0.00 0.00 0.00 176.54 177.58 2jrl h VAL 61 N 0.06 0.63 0.00 4.60 3.04 -1.90 0.14 116.25 122.81 2jrl h VAL 61 Ca -0.27 -0.18 -0.13 0.00 -1.01 0.00 0.00 66.70 65.11 2jrl h VAL 61 Cb 2.01 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 31.33 2jrl h VAL 61 CO 0.14 0.10 -0.64 -1.13 -1.01 0.00 0.00 177.57 175.03 2jrl h ASN 62 N 0.53 0.00 -0.47 3.17 -1.24 -1.95 -3.25 115.58 112.38 2jrl h ASN 62 Ca 0.50 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.55 2jrl h ASN 62 Cb 0.81 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.83 2jrl h ASN 62 CO -0.43 0.64 0.31 0.15 -1.29 0.00 0.00 177.43 176.81 2jrl h PHE 63 N 0.00 0.45 -0.74 0.67 3.57 -0.72 -2.16 116.94 118.01 2jrl h PHE 63 Ca -0.01 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.64 2jrl h PHE 63 Cb 1.47 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.96 2jrl h PHE 63 CO 0.00 0.26 0.28 0.82 -2.23 0.00 0.00 178.31 177.44 2jrl h ILE 64 N 0.46 0.65 -0.96 1.41 2.04 -1.49 -1.51 117.51 118.12 2jrl h ILE 64 Ca 0.20 -0.14 0.24 0.00 1.00 0.00 0.00 64.86 66.15 2jrl h ILE 64 Cb 0.20 0.20 -0.18 0.00 -0.74 0.00 0.00 36.82 36.30 2jrl h ILE 64 CO -0.05 0.08 -0.08 -0.67 0.00 0.00 0.00 178.15 177.43 2jrl n ASP 65 N -5.02 -0.20 -0.15 1.72 -0.08 -0.81 0.10 116.55 112.11 2jrl n ASP 65 Ca 0.14 1.63 -0.09 0.00 -1.51 0.00 0.00 54.79 54.96 2jrl n ASP 65 Cb 0.40 -0.56 -0.00 0.00 2.34 0.00 0.00 41.12 43.30 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 0.74 0.23 -0.67 3.57 -1.45 -2.58 116.94 116.79 2jrl h PHE 66 Ca 0.53 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 2jrl h PHE 66 Cb 1.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2jrl h PHE 66 CO -0.58 0.70 -0.11 0.82 -2.23 0.00 0.00 178.31 176.90 2jrl h ILE 67 N 0.57 0.79 0.00 1.41 2.04 0.73 -1.22 117.51 121.83 2jrl h ILE 67 Ca 0.14 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.90 2jrl h ILE 67 Cb 0.34 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2jrl h ILE 67 CO 0.00 0.02 0.00 0.29 0.00 0.00 0.00 178.15 178.47 2jrl n LYS 68 N -5.20 0.05 -0.01 2.37 4.76 0.80 0.14 118.16 121.07 2jrl n LYS 68 Ca -0.09 0.53 -0.21 0.00 -2.87 0.00 0.00 58.31 55.66 2jrl n LYS 68 Cb 0.16 -1.66 -0.14 0.00 -1.84 0.00 0.00 35.03 31.55 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 -1.78 0.74 -0.54 1.97 2.13 -0.61 -3.96 120.64 118.60 2jrl n GLU 69 Ca -0.00 0.28 0.04 0.00 0.66 0.00 0.00 57.16 58.14 2jrl n GLU 69 Cb 0.03 -1.70 0.21 0.00 0.27 0.00 0.00 31.44 30.25 2jrl n GLU 69 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2jrl n ASN 70 N -3.56 2.95 0.00 4.31 0.23 -0.56 -4.78 115.26 113.85 2jrl n ASN 70 Ca -0.33 -3.38 0.00 0.00 -0.53 0.00 0.00 54.58 50.34 2jrl n ASN 70 Cb 1.01 -0.56 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 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 -0.94 0.00 -0.12 0.53 2.88 0.38 -4.98 113.62 111.37 2jrl n SER 71 Ca 0.25 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.66 2jrl n SER 71 Cb 0.90 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.34 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 0.93 0.00 -1.46 0.13 -1.69 -2.85 132.00 127.06 2jrl h PRO 72 Ca 0.00 -0.49 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 1.15 0.00 -0.25 -0.23 0.00 0.00 178.00 178.67 2jrl n ASP 73 N -4.06 0.00 -4.80 1.44 9.92 -1.26 -4.83 116.55 112.96 2jrl n ASP 73 Ca -0.02 0.31 -0.33 0.00 -0.53 0.00 0.00 54.79 54.22 2jrl n ASP 73 Cb 0.54 -0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 40.58 2jrl n ASP 73 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2jrl s SER 74 N -2.86 6.15 -0.09 -2.24 0.15 -1.08 -4.96 113.70 108.78 2jrl s SER 74 Ca 0.16 1.87 0.02 0.00 0.70 0.00 0.00 55.95 58.70 2jrl s SER 74 Cb 0.17 -2.55 0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2jrl s SER 74 CO 0.44 -0.91 -0.15 0.54 1.20 0.00 0.00 173.24 174.36 2jrl s VAL 75 N -2.19 1.38 0.09 4.45 0.11 -1.18 -4.99 120.40 118.06 2jrl s VAL 75 Ca 0.65 -0.60 0.08 0.00 -2.93 0.00 0.00 61.98 59.19 2jrl s VAL 75 Cb -0.16 -1.25 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 2jrl s VAL 75 CO 0.27 0.41 -0.22 -0.69 -3.33 0.00 0.00 175.10 171.54 2jrl s VAL 76 N 0.78 1.77 -0.17 2.04 1.01 -1.16 -1.99 120.40 122.67 2jrl s VAL 76 Ca -0.12 -1.47 -0.05 0.00 0.00 0.00 0.00 61.98 60.34 2jrl s VAL 76 Cb -0.16 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 2jrl s VAL 76 CO 0.02 0.03 -0.01 -0.63 0.00 0.00 0.00 175.10 174.51 2jrl s ILE 77 N -1.05 4.02 -0.24 2.22 1.09 0.84 -1.46 121.20 126.63 2jrl s ILE 77 Ca 0.08 -0.30 -0.11 0.00 -1.10 0.00 0.00 60.65 59.21 2jrl s ILE 77 Cb -0.10 -2.79 -0.05 0.00 -1.06 0.00 0.00 42.46 38.47 2jrl s ILE 77 CO 0.04 0.47 0.17 -0.69 -0.10 0.00 0.00 174.94 174.82 2jrl s VAL 78 N 0.54 5.36 0.00 2.92 1.01 -1.17 -0.88 120.40 128.17 2jrl s VAL 78 Ca -0.02 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2jrl s VAL 78 Cb -0.14 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2jrl s VAL 78 CO 0.02 0.35 -0.10 0.27 0.00 0.00 0.00 175.10 175.64 2jrl s ILE 79 N 1.02 0.77 -0.11 2.22 -4.36 -1.22 -3.26 121.20 116.26 2jrl s ILE 79 Ca 0.08 -0.50 -0.16 0.00 -0.26 0.00 0.00 60.65 59.80 2jrl s ILE 79 Cb -0.13 -0.66 0.04 0.00 1.25 0.00 0.00 42.46 42.96 2jrl s ILE 79 CO 0.04 0.15 0.42 0.28 0.24 0.00 0.00 174.94 176.07 2jrl s THR 80 N -0.35 0.02 -0.18 8.37 -1.32 -1.12 -0.05 115.64 121.00 2jrl s THR 80 Ca 0.03 -0.14 0.18 0.00 -1.21 0.00 0.00 61.69 60.54 2jrl s THR 80 Cb -0.04 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.30 2jrl s THR 80 CO -0.00 -0.08 1.15 1.23 -2.21 0.00 0.00 174.62 174.71 2jrl h GLY 81 N 4.75 0.00 1.42 6.08 0.00 -1.88 -2.75 103.07 110.69 2jrl h GLY 81 Ca -0.28 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.12 2jrl h GLY 81 CO 0.30 0.00 0.25 0.45 0.00 0.00 0.00 176.54 177.54 2jrl h HIS 82 N 0.00 0.21 -2.96 5.60 3.86 -1.99 -3.42 115.15 116.44 2jrl h HIS 82 Ca -0.06 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2jrl h HIS 82 Cb 1.37 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.77 2jrl h HIS 82 CO 0.00 0.12 -0.70 0.41 0.86 0.00 0.00 177.93 178.62 2jrl n GLY 83 N -1.55 -4.52 3.15 2.45 0.00 -1.25 -5.09 105.19 98.39 2jrl n GLY 83 Ca 0.05 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.03 -0.03 0.16 1.61 0.15 -1.26 -5.05 113.70 107.26 2jrl s SER 84 Ca 0.00 0.02 -0.14 0.00 0.70 0.00 0.00 55.95 56.54 2jrl s SER 84 Cb 0.00 1.03 0.06 0.00 -1.71 0.00 0.00 66.02 65.39 2jrl s SER 84 CO 0.00 -0.01 1.77 1.62 1.20 0.00 0.00 173.24 177.82 2jrl h VAL 85 N 5.02 1.18 0.68 4.45 3.04 -1.98 0.11 116.25 128.76 2jrl h VAL 85 Ca -0.11 -0.48 -0.03 0.00 -1.01 0.00 0.00 66.70 65.08 2jrl h VAL 85 Cb 1.16 0.53 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2jrl h VAL 85 CO -0.14 0.20 -0.40 0.44 -1.01 0.00 0.00 177.57 176.66 2jrl h ASP 86 N 0.71 -1.01 0.11 3.17 3.32 -2.00 -1.09 116.42 119.62 2jrl h ASP 86 Ca 0.19 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2jrl h ASP 86 Cb 0.06 0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2jrl h ASP 86 CO -0.03 -0.64 -0.08 0.74 -1.72 0.00 0.00 179.24 177.51 2jrl h THR 87 N -1.02 0.94 0.03 0.35 2.02 -1.96 -2.71 112.91 110.56 2jrl h THR 87 Ca -0.09 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2jrl h THR 87 Cb 0.82 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2jrl h THR 87 CO 0.10 0.08 -0.01 0.00 0.37 0.00 0.00 175.52 176.06 2jrl h ALA 88 N 1.92 -0.04 0.47 6.16 0.00 -0.33 -2.18 119.26 125.26 2jrl h ALA 88 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jrl h ALA 88 Cb 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jrl h ALA 88 CO 0.01 -0.38 -0.43 0.28 0.00 0.00 0.00 179.25 178.72 2jrl h VAL 89 N -0.32 0.13 -0.40 0.00 2.07 -0.90 -1.18 116.25 115.66 2jrl h VAL 89 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.63 2jrl h VAL 89 Cb 0.30 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2jrl h VAL 89 CO 0.01 0.00 0.40 0.07 0.02 0.00 0.00 177.57 178.06 2jrl h LYS 90 N -0.91 0.00 0.00 1.57 2.10 -1.57 0.78 116.57 118.54 2jrl h LYS 90 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2jrl h LYS 90 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 2jrl h LYS 90 CO -0.04 0.00 -0.13 0.00 -2.00 0.00 0.00 179.45 177.28 2jrl n ALA 91 N -2.40 2.48 0.02 0.07 0.00 -0.54 -2.88 120.51 117.26 2jrl n ALA 91 Ca 0.07 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 2jrl n ALA 91 Cb 0.57 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 2jrl n ALA 91 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2jrl h ILE 92 N 0.00 0.71 0.00 0.00 1.08 0.16 -2.22 117.51 117.24 2jrl h ILE 92 Ca 0.00 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 2jrl h ILE 92 Cb 0.66 2.55 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 2jrl h ILE 92 CO 0.00 0.85 0.00 0.11 -0.69 0.00 0.00 178.15 178.42 2jrl h LYS 93 N 0.07 0.00 0.10 2.37 1.57 -1.50 -3.31 116.57 115.88 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 0.11 0.00 -0.05 -0.22 -0.57 0.00 0.00 179.45 178.72 2jrl h LYS 94 N 0.00 -0.13 0.00 3.15 1.63 -1.66 -3.47 116.57 116.09 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 0.68 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2jrl h LYS 94 CO 0.00 -0.09 0.00 0.41 -3.45 0.00 0.00 179.45 176.32 2jrl n GLY 95 N 1.27 0.30 3.54 5.01 0.00 -1.24 -4.90 105.19 109.16 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 3.47 0.07 4.61 0.00 -0.84 -3.01 121.76 126.07 2jrl s ALA 96 Ca 0.00 -1.23 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 2jrl s ALA 96 Cb 0.00 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 20.50 2jrl s ALA 96 CO 0.00 -0.74 1.48 -0.92 0.00 0.00 0.00 175.76 175.59 2jrl h TYR 97 N 8.41 0.42 -3.98 0.00 3.20 -1.54 -3.40 116.97 120.08 2jrl h TYR 97 Ca -0.34 -0.08 -0.20 0.00 3.14 0.00 0.00 58.73 61.26 2jrl h TYR 97 Cb 1.17 -0.11 -0.16 0.00 1.54 0.00 0.00 36.73 39.17 2jrl h TYR 97 CO 0.71 0.60 -0.70 -2.00 -1.64 0.00 0.00 178.16 175.13 2jrl s GLU 98 N -4.87 0.68 -0.21 1.82 2.56 -1.26 -5.06 118.70 112.35 2jrl s GLU 98 Ca -0.14 -1.16 0.02 0.00 0.00 0.00 0.00 54.97 53.69 2jrl s GLU 98 Cb 0.07 -0.07 0.04 0.00 2.00 0.00 0.00 34.13 36.17 2jrl s GLU 98 CO 0.74 -0.04 -0.13 0.12 -0.56 0.00 0.00 175.26 175.39 2jrl s PHE 99 N -3.21 2.79 -0.06 5.30 2.19 -1.26 -3.05 117.98 120.67 2jrl s PHE 99 Ca 0.05 -1.85 0.04 0.00 0.33 0.00 0.00 56.93 55.50 2jrl s PHE 99 Cb 0.03 -1.81 -0.00 0.00 -1.31 0.00 0.00 43.02 39.93 2jrl s PHE 99 CO -0.05 -0.81 -0.19 -0.51 1.83 0.00 0.00 175.22 175.50 2jrl s LEU 100 N 1.27 1.92 0.00 6.12 1.43 -1.20 -5.04 118.68 123.17 2jrl s LEU 100 Ca -0.02 -0.41 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 2jrl s LEU 100 Cb -0.17 -1.09 0.21 0.00 0.03 0.00 0.00 46.19 45.17 2jrl s LEU 100 CO -0.08 0.14 0.53 -0.62 0.23 0.00 0.00 176.35 176.55 2jrl n GLU 101 N 3.33 -3.32 0.26 1.70 1.02 -1.26 -2.81 120.64 119.56 2jrl n GLU 101 Ca -0.19 -0.87 -0.11 0.00 -0.02 0.00 0.00 57.16 55.96 2jrl n GLU 101 Cb 0.53 -1.05 -0.06 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.68 -6.46 3.49 1.79 -1.75 -3.41 116.57 109.54 2jrl h LYS 102 Ca -0.23 0.05 -0.54 0.00 -2.18 0.00 0.00 60.65 57.75 2jrl h LYS 102 Cb 0.75 0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.56 2jrl h LYS 102 CO 0.14 -0.45 0.78 -1.25 -1.08 0.00 0.00 179.45 177.58 2jrl s PRO 103 N -4.65 4.30 0.00 3.15 0.04 -1.26 -4.98 135.00 131.60 2jrl s PRO 103 Ca -0.11 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 2jrl s PRO 103 Cb 0.02 -3.41 0.04 0.00 0.04 0.00 0.00 34.50 31.18 2jrl s PRO 103 CO 0.34 -0.50 0.42 -0.59 0.04 0.00 0.00 177.00 176.70 2jrl s PHE 104 N 1.74 -0.30 0.14 0.56 -0.12 -1.26 -5.12 117.98 113.61 2jrl s PHE 104 Ca 0.65 0.41 0.05 0.00 -0.05 0.00 0.00 56.93 57.99 2jrl s PHE 104 Cb -0.34 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 2jrl s PHE 104 CO 0.29 -0.50 0.05 -1.12 -0.05 0.00 0.00 175.22 173.89 2jrl s SER 105 N -1.55 5.18 0.56 1.98 0.01 -1.26 -4.94 113.70 113.67 2jrl s SER 105 Ca -0.10 -0.20 0.32 0.00 1.31 0.00 0.00 55.95 57.28 2jrl s SER 105 Cb -0.03 -1.26 1.46 0.00 0.21 0.00 0.00 66.02 66.41 2jrl s SER 105 CO 0.03 0.12 1.84 1.62 0.41 0.00 0.00 173.24 177.25 2jrl h VAL 106 N 2.46 0.42 0.19 3.43 3.04 -2.02 0.55 116.25 124.33 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 1.19 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2jrl h VAL 106 CO 0.61 0.00 -0.09 -0.08 -1.01 0.00 0.00 177.57 177.00 2jrl h GLU 107 N 0.00 -0.25 0.00 4.17 4.81 -1.99 0.19 114.58 121.51 2jrl h GLU 107 Ca 0.40 0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.50 2jrl h GLU 107 Cb 1.75 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 31.17 2jrl h GLU 107 CO -0.00 -0.09 -0.86 -0.09 -0.73 0.00 0.00 179.01 177.23 2jrl h ARG 108 N -0.35 0.00 -0.08 1.92 9.65 -1.46 -3.07 114.38 120.99 2jrl h ARG 108 Ca -0.03 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.82 2jrl h ARG 108 Cb 0.27 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2jrl h ARG 108 CO 0.04 0.53 -0.10 0.35 2.80 0.00 0.00 179.97 183.60 2jrl h PHE 109 N 0.00 0.25 -0.56 2.20 3.04 0.09 -2.72 116.94 119.24 2jrl h PHE 109 Ca -0.06 -0.08 -0.09 0.00 3.98 0.00 0.00 57.97 61.73 2jrl h PHE 109 Cb 1.53 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 39.96 2jrl h PHE 109 CO 0.00 0.67 0.00 1.37 -2.02 0.00 0.00 178.31 178.33 2jrl h LEU 110 N -0.24 0.93 -1.62 0.59 8.10 -0.74 -2.62 115.31 119.70 2jrl h LEU 110 Ca 0.01 -0.25 -0.02 0.00 0.11 0.00 0.00 57.88 57.74 2jrl h LEU 110 Cb 0.64 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.60 2jrl h LEU 110 CO 0.02 0.99 0.07 0.25 -4.11 0.00 0.00 178.44 175.66 2jrl h LEU 111 N 0.88 0.28 -0.04 0.17 6.46 -1.55 -1.74 115.31 119.77 2jrl h LEU 111 Ca 0.16 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 2jrl h LEU 111 Cb 0.51 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 2jrl h LEU 111 CO 0.03 0.28 0.01 0.74 -0.62 0.00 0.00 178.44 178.87 2jrl h THR 112 N 0.31 1.20 0.77 1.05 2.02 -1.13 -2.52 112.91 114.61 2jrl h THR 112 Ca 0.08 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 2jrl h THR 112 Cb 0.10 1.54 0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2jrl h THR 112 CO -0.01 0.16 -0.37 0.40 0.37 0.00 0.00 175.52 176.07 2jrl h ILE 113 N -0.18 0.11 -0.93 3.11 1.08 -1.40 0.35 117.51 119.66 2jrl h ILE 113 Ca 0.01 -0.18 0.26 0.00 -0.39 0.00 0.00 64.86 64.57 2jrl h ILE 113 Cb 0.26 0.14 -0.16 0.00 -3.07 0.00 0.00 36.82 33.98 2jrl h ILE 113 CO 0.00 0.01 0.14 0.50 -0.69 0.00 0.00 178.15 178.11 2jrl h LYS 114 N -1.20 0.08 0.00 2.37 3.64 -1.40 0.93 116.57 120.98 2jrl h LYS 114 Ca -0.11 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 2jrl h LYS 114 Cb 0.81 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 2jrl h LYS 114 CO 0.17 0.05 -0.84 0.45 -2.27 0.00 0.00 179.45 177.02 2jrl h HIS 115 N 0.08 0.00 -0.73 1.91 3.86 -1.35 -3.18 115.15 115.73 2jrl h HIS 115 Ca 0.59 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.93 2jrl h HIS 115 Cb 1.24 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.63 2jrl h HIS 115 CO -0.37 0.84 0.31 0.00 0.86 0.00 0.00 177.93 179.57 2jrl h ALA 116 N 1.16 1.02 0.25 2.45 0.00 0.51 -0.74 119.26 123.91 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 1.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2jrl h ALA 116 CO 0.11 -0.16 -0.12 0.74 0.00 0.00 0.00 179.25 179.82 2jrl h PHE 117 N 0.49 -0.31 -0.96 0.00 -1.00 -1.49 -2.45 116.94 111.23 2jrl h PHE 117 Ca 0.39 -0.01 0.36 0.00 2.81 0.00 0.00 57.97 61.52 2jrl h PHE 117 Cb 0.54 0.10 -0.17 0.00 3.61 0.00 0.00 35.95 40.02 2jrl h PHE 117 CO -0.15 -0.19 0.37 0.39 -1.61 0.00 0.00 178.31 177.12 2jrl n GLU 118 N -4.31 -0.06 0.13 1.51 1.02 -1.17 -0.07 120.64 117.69 2jrl n GLU 118 Ca -0.04 1.36 -0.12 0.00 -0.02 0.00 0.00 57.16 58.33 2jrl n GLU 118 Cb 0.13 -2.35 -0.08 0.00 -0.02 0.00 0.00 31.44 29.12 2jrl n GLU 118 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2jrl h GLU 119 N 0.00 -0.35 -0.98 3.49 4.57 -1.21 -3.18 114.58 116.93 2jrl h GLU 119 Ca 0.75 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 59.12 2jrl h GLU 119 Cb 1.88 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 30.45 2jrl h GLU 119 CO -0.79 0.00 0.61 -0.92 -1.18 0.00 0.00 179.01 176.74 2jrl h TYR 120 N -0.81 0.98 0.00 0.92 3.20 0.03 -3.52 116.97 117.77 2jrl h TYR 120 Ca -0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2jrl h TYR 120 Cb 0.51 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2jrl h TYR 120 CO 0.04 0.28 0.00 0.45 -1.64 0.00 0.00 178.16 177.30