#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfz s LYS 2 N 0.00 3.23 0.33 2.12 2.20 -1.26 -2.28 119.74 124.07 2jfz s LYS 2 Ca 0.00 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 54.90 2jfz s LYS 2 Cb 0.00 -2.66 -0.05 0.00 -1.51 0.00 0.00 37.83 33.61 2jfz s LYS 2 CO 0.00 -0.01 0.09 0.96 -0.36 0.00 0.00 175.35 176.03 2jfz s ILE 3 N 0.89 0.89 0.21 5.43 -5.25 -0.53 -1.07 121.20 121.77 2jfz s ILE 3 Ca -0.04 -2.00 0.11 0.00 -0.99 0.00 0.00 60.65 57.74 2jfz s ILE 3 Cb -0.15 -2.66 -0.05 0.00 2.95 0.00 0.00 42.46 42.56 2jfz s ILE 3 CO -0.01 0.00 -0.23 -0.83 -1.79 0.00 0.00 174.94 172.08 2jfz s GLY 4 N -3.47 1.73 -0.08 6.27 0.00 -0.27 -1.15 107.32 110.36 2jfz s GLY 4 Ca 0.34 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 43.38 2jfz s GLY 4 CO 0.15 -1.73 -0.06 0.14 0.00 0.00 0.00 173.10 171.60 2jfz s VAL 5 N -1.87 0.78 -0.06 1.40 1.01 -0.22 -0.77 120.40 120.66 2jfz s VAL 5 Ca 0.22 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2jfz s VAL 5 Cb -0.07 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2jfz s VAL 5 CO 0.11 0.30 -0.16 0.12 0.00 0.00 0.00 175.10 175.47 2jfz s PHE 6 N 1.32 2.68 0.19 5.22 5.36 0.59 -0.69 117.98 132.65 2jfz s PHE 6 Ca -0.04 -0.31 -0.13 0.00 -0.96 0.00 0.00 56.93 55.49 2jfz s PHE 6 Cb -0.14 -1.66 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 2jfz s PHE 6 CO -0.03 0.07 0.41 0.34 -1.46 0.00 0.00 175.22 174.55 2jfz s ASP 7 N -0.48 -0.11 0.45 6.13 2.15 -0.85 -0.51 116.67 123.46 2jfz s ASP 7 Ca 0.06 -0.69 0.31 0.00 0.43 0.00 0.00 52.55 52.66 2jfz s ASP 7 Cb -0.12 0.52 1.29 0.00 -0.30 0.00 0.00 42.92 44.30 2jfz s ASP 7 CO 0.02 -0.99 1.91 0.77 -0.17 0.00 0.00 175.17 176.70 2jfz h SER 8 N 2.36 0.00 0.00 -0.34 4.64 -1.90 -1.94 113.55 116.37 2jfz h SER 8 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2jfz h SER 8 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2jfz h SER 8 CO 0.42 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.99 2jfz n GLY 9 N -0.05 1.33 0.07 -0.77 0.00 -1.26 -2.33 105.19 102.17 2jfz n GLY 9 Ca 0.01 0.29 0.12 0.00 0.00 0.00 0.00 46.02 46.43 2jfz n GLY 9 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jfz n VAL 10 N 0.00 0.35 -0.27 1.61 3.14 -1.26 -4.26 118.33 117.63 2jfz n VAL 10 Ca 0.00 -0.32 0.09 0.00 -2.96 0.00 0.00 64.34 61.15 2jfz n VAL 10 Cb 0.00 -0.08 0.23 0.00 -1.06 0.00 0.00 33.84 32.93 2jfz n VAL 10 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2jfz h GLY 11 N 4.42 1.21 1.05 7.55 0.00 -1.94 -0.10 103.07 115.27 2jfz h GLY 11 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2jfz h GLY 11 CO 0.00 -0.25 0.29 0.61 0.00 0.00 0.00 176.54 177.19 2jfz n GLY 12 N -1.36 -0.40 0.36 4.60 0.00 -1.26 -1.38 105.19 105.75 2jfz n GLY 12 Ca 0.18 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.36 2jfz n GLY 12 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2jfz h PHE 13 N 0.00 0.55 -0.11 1.61 0.05 -1.32 0.14 116.94 117.86 2jfz h PHE 13 Ca 0.00 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.78 2jfz h PHE 13 Cb 0.58 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.35 2jfz h PHE 13 CO 0.00 0.25 -0.04 0.66 -0.18 0.00 0.00 178.31 178.99 2jfz h SER 14 N 0.50 0.15 0.22 2.17 4.64 -1.46 0.28 113.55 120.05 2jfz h SER 14 Ca 0.33 -0.02 -0.35 0.00 -0.47 0.00 0.00 61.79 61.28 2jfz h SER 14 Cb 0.60 -0.04 0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2jfz h SER 14 CO -0.11 0.22 -1.65 0.58 -0.87 0.00 0.00 176.83 175.00 2jfz h VAL 15 N 0.16 1.07 -0.73 0.95 2.07 -1.28 -3.33 116.25 115.16 2jfz h VAL 15 Ca 0.04 -2.59 -0.00 0.00 0.82 0.00 0.00 66.70 64.97 2jfz h VAL 15 Cb 0.19 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.80 2jfz h VAL 15 CO 0.01 0.84 0.45 0.25 0.02 0.00 0.00 177.57 179.14 2jfz h LEU 16 N 0.12 0.85 -0.64 2.57 5.85 -0.53 -2.10 115.31 121.44 2jfz h LEU 16 Ca -0.31 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.41 2jfz h LEU 16 Cb 2.13 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.90 2jfz h LEU 16 CO 0.22 0.64 0.38 0.50 -0.34 0.00 0.00 178.44 179.85 2jfz h LYS 17 N 0.99 0.72 -0.49 1.25 3.64 -1.07 0.23 116.57 121.85 2jfz h LYS 17 Ca 0.26 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2jfz h LYS 17 Cb -0.07 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 2jfz h LYS 17 CO -0.05 0.48 0.14 0.77 -2.27 0.00 0.00 179.45 178.51 2jfz h SER 18 N 0.74 0.72 -0.52 4.20 0.02 -1.52 -2.39 113.55 114.81 2jfz h SER 18 Ca 0.26 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2jfz h SER 18 Cb 0.06 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 2jfz h SER 18 CO -0.12 0.75 0.30 -0.07 -1.14 0.00 0.00 176.83 176.55 2jfz h LEU 19 N 0.66 0.64 -0.21 5.07 3.38 -0.89 -2.37 115.31 121.58 2jfz h LEU 19 Ca 0.15 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2jfz h LEU 19 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jfz h LEU 19 CO -0.00 0.52 0.12 -0.07 0.09 0.00 0.00 178.44 179.10 2jfz h LEU 20 N 0.70 0.25 -1.26 1.67 3.38 -0.81 -2.83 115.31 116.40 2jfz h LEU 20 Ca 0.19 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2jfz h LEU 20 Cb 0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2jfz h LEU 20 CO -0.03 0.22 0.34 0.50 0.09 0.00 0.00 178.44 179.56 2jfz h LYS 21 N 0.25 0.85 0.00 1.13 3.64 -1.30 -2.43 116.57 118.70 2jfz h LYS 21 Ca 0.07 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2jfz h LYS 21 Cb 0.02 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2jfz h LYS 21 CO -0.01 0.62 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 2jfz n ALA 22 N -2.44 2.16 -4.05 5.00 0.00 -0.91 -4.91 120.51 115.36 2jfz n ALA 22 Ca 0.06 -0.11 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 2jfz n ALA 22 Cb 0.10 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 2jfz n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jfz n ARG 23 N -1.20 -1.14 -0.05 0.00 1.74 -0.92 -4.27 116.66 110.81 2jfz n ARG 23 Ca 0.12 0.20 -0.10 0.00 -0.77 0.00 0.00 57.85 57.30 2jfz n ARG 23 Cb 0.14 -3.44 -0.15 0.00 -1.02 0.00 0.00 32.46 28.00 2jfz n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2jfz n LEU 24 N -4.67 0.77 -4.14 0.55 4.77 -1.25 -1.83 117.00 111.20 2jfz n LEU 24 Ca -0.20 0.25 -0.19 0.00 -0.03 0.00 0.00 56.01 55.84 2jfz n LEU 24 Cb 0.62 0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.75 2jfz n LEU 24 CO 0.76 0.47 -0.46 -0.36 -1.33 0.00 0.00 177.39 176.48 2jfz s PHE 25 N -2.56 1.16 -0.21 -1.77 0.40 -1.26 -4.71 117.98 109.03 2jfz s PHE 25 Ca -0.09 -0.40 0.18 0.00 -0.60 0.00 0.00 56.93 56.02 2jfz s PHE 25 Cb 0.07 -0.67 0.04 0.00 0.51 0.00 0.00 43.02 42.97 2jfz s PHE 25 CO 0.82 0.03 1.22 -0.44 0.70 0.00 0.00 175.22 177.55 2jfz h ASP 26 N 4.65 0.00 -3.59 1.36 3.32 -1.80 -3.41 116.42 116.96 2jfz h ASP 26 Ca -0.39 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.50 2jfz h ASP 26 Cb 1.19 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 2jfz h ASP 26 CO 0.42 0.35 -0.42 -0.70 -1.72 0.00 0.00 179.24 177.18 2jfz s GLU 27 N -3.06 0.29 -0.04 3.56 2.12 -1.03 -2.21 118.70 118.33 2jfz s GLU 27 Ca 0.02 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.85 2jfz s GLU 27 Cb 0.08 0.03 0.01 0.00 0.26 0.00 0.00 34.13 34.51 2jfz s GLU 27 CO 0.76 -0.10 -0.09 0.42 -0.54 0.00 0.00 175.26 175.71 2jfz s ILE 28 N 0.70 0.82 -0.34 -3.70 1.01 -0.07 -1.45 121.20 118.17 2jfz s ILE 28 Ca -0.05 -0.34 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 2jfz s ILE 28 Cb -0.06 -0.75 0.05 0.00 0.01 0.00 0.00 42.46 41.71 2jfz s ILE 28 CO -0.04 0.27 0.09 -0.63 0.00 0.00 0.00 174.94 174.62 2jfz s ILE 29 N 0.44 3.52 -0.11 2.92 -1.09 -0.30 -1.32 121.20 125.27 2jfz s ILE 29 Ca -0.07 -1.31 -0.16 0.00 -2.23 0.00 0.00 60.65 56.88 2jfz s ILE 29 Cb -0.11 -3.05 -0.05 0.00 -1.58 0.00 0.00 42.46 37.67 2jfz s ILE 29 CO 0.01 -0.22 0.41 -0.47 -1.23 0.00 0.00 174.94 173.44 2jfz s TYR 30 N 1.33 3.54 -0.09 3.97 5.04 0.40 -1.06 117.35 130.49 2jfz s TYR 30 Ca -0.02 0.82 -0.00 0.00 -2.44 0.00 0.00 57.07 55.43 2jfz s TYR 30 Cb -0.20 -2.43 0.02 0.00 0.35 0.00 0.00 41.96 39.70 2jfz s TYR 30 CO 0.01 0.29 -0.05 -0.47 -1.34 0.00 0.00 175.55 173.98 2jfz s TYR 31 N 0.22 1.19 -0.13 4.97 5.04 0.13 -0.40 117.35 128.37 2jfz s TYR 31 Ca 0.23 -0.52 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 2jfz s TYR 31 Cb -0.15 -1.05 -0.01 0.00 0.35 0.00 0.00 41.96 41.10 2jfz s TYR 31 CO 0.09 -0.42 -0.14 0.20 -1.34 0.00 0.00 175.55 173.94 2jfz s GLY 32 N 1.65 1.51 -0.65 8.97 0.00 -0.28 -2.01 107.32 116.50 2jfz s GLY 32 Ca 0.02 -0.92 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 2jfz s GLY 32 CO -0.06 -0.17 3.03 1.34 0.00 0.00 0.00 173.10 177.24 2jfz n ASP 33 N 3.61 6.73 0.01 1.64 2.03 -0.73 -2.05 116.55 127.78 2jfz n ASP 33 Ca -0.18 -2.84 0.23 0.00 0.52 0.00 0.00 54.79 52.51 2jfz n ASP 33 Cb 0.53 -1.37 0.72 0.00 -0.72 0.00 0.00 41.12 40.27 2jfz n ASP 33 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2jfz h SER 34 N 3.62 0.00 1.06 1.67 0.02 -1.72 -0.20 113.55 118.00 2jfz h SER 34 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 2jfz h SER 34 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2jfz h SER 34 CO 0.92 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 176.61 2jfz h ALA 35 N 1.45 1.00 -0.01 3.77 0.00 -1.81 -3.21 119.26 120.45 2jfz h ALA 35 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2jfz h ALA 35 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2jfz h ALA 35 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2jfz n ARG 36 N -2.95 0.66 -2.00 0.00 1.74 -0.11 -5.02 116.66 108.99 2jfz n ARG 36 Ca 0.01 -0.95 -0.38 0.00 -0.77 0.00 0.00 57.85 55.76 2jfz n ARG 36 Cb 0.31 -1.02 0.01 0.00 -1.02 0.00 0.00 32.46 30.75 2jfz n ARG 36 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jfz s VAL 37 N -0.44 2.53 0.46 1.55 0.11 -1.07 -4.44 120.40 119.09 2jfz s VAL 37 Ca 0.01 0.42 -0.03 0.00 -2.93 0.00 0.00 61.98 59.45 2jfz s VAL 37 Cb 0.01 -3.22 -0.02 0.00 -1.53 0.00 0.00 36.38 31.61 2jfz s VAL 37 CO 0.01 0.02 0.72 -2.16 -3.33 0.00 0.00 175.10 170.36 2jfz s PRO 38 N -2.66 3.35 -0.14 1.54 0.04 -1.26 -5.06 135.00 130.82 2jfz s PRO 38 Ca 0.65 -0.09 0.09 0.00 0.04 0.00 0.00 61.00 61.70 2jfz s PRO 38 Cb -0.36 -2.46 -0.23 0.00 0.04 0.00 0.00 34.50 31.48 2jfz s PRO 38 CO 0.44 -0.20 0.29 0.66 0.04 0.00 0.00 177.00 178.23 2jfz n TYR 39 N -2.16 0.58 0.13 0.56 4.02 -1.26 -4.50 117.16 114.53 2jfz n TYR 39 Ca -0.00 0.18 0.19 0.00 -0.01 0.00 0.00 57.90 58.26 2jfz n TYR 39 Cb 0.56 -1.10 0.69 0.00 -0.02 0.00 0.00 39.34 39.48 2jfz n TYR 39 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2jfz h GLY 40 N 3.03 0.00 -2.42 2.72 0.00 -1.97 -0.65 103.07 103.79 2jfz h GLY 40 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2jfz h GLY 40 CO 0.04 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.28 2jfz n THR 41 N -3.39 0.62 -3.59 4.70 -2.24 -1.26 -1.03 114.28 108.09 2jfz n THR 41 Ca 0.07 -0.81 -0.23 0.00 -2.27 0.00 0.00 64.05 60.81 2jfz n THR 41 Cb 0.69 0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 69.79 2jfz n THR 41 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jfz s LYS 42 N -1.37 2.38 0.45 -0.78 1.02 -0.25 -4.96 119.74 116.22 2jfz s LYS 42 Ca 0.41 -1.75 -0.04 0.00 0.02 0.00 0.00 55.97 54.61 2jfz s LYS 42 Cb 0.24 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 2jfz s LYS 42 CO 0.32 -0.50 0.74 0.16 -0.92 0.00 0.00 175.35 175.15 2jfz s ASP 43 N -4.30 6.29 0.20 2.83 1.47 -1.26 -4.68 116.67 117.21 2jfz s ASP 43 Ca 0.45 0.85 -0.13 0.00 1.18 0.00 0.00 52.55 54.90 2jfz s ASP 43 Cb -0.03 -2.21 0.22 0.00 -0.34 0.00 0.00 42.92 40.56 2jfz s ASP 43 CO 0.27 -0.51 1.67 -0.65 0.68 0.00 0.00 175.17 176.64 2jfz h PRO 44 N 0.41 0.10 -0.13 2.11 0.11 -1.97 -1.44 132.00 131.18 2jfz h PRO 44 Ca -0.47 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.66 2jfz h PRO 44 Cb 1.21 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2jfz h PRO 44 CO 0.62 0.07 -0.05 1.15 -0.21 0.00 0.00 178.00 179.58 2jfz h THR 45 N 0.10 0.83 -0.49 -1.15 2.02 -1.95 0.61 112.91 112.88 2jfz h THR 45 Ca 0.27 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.45 2jfz h THR 45 Cb 0.42 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2jfz h THR 45 CO -0.46 0.00 0.29 0.74 0.37 0.00 0.00 175.52 176.46 2jfz h THR 46 N -0.03 1.15 -0.44 3.16 2.02 -1.88 -2.65 112.91 114.23 2jfz h THR 46 Ca 0.07 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2jfz h THR 46 Cb 0.13 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 2jfz h THR 46 CO -0.15 0.16 0.19 0.40 0.37 0.00 0.00 175.52 176.48 2jfz h ILE 47 N 0.65 1.20 -0.56 3.11 1.08 -0.89 -2.09 117.51 120.00 2jfz h ILE 47 Ca 0.17 -0.60 0.04 0.00 -0.39 0.00 0.00 64.86 64.08 2jfz h ILE 47 Cb -0.00 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 2jfz h ILE 47 CO -0.03 0.22 0.31 0.11 -0.69 0.00 0.00 178.15 178.07 2jfz h LYS 48 N 0.58 0.58 -0.68 2.37 1.57 -0.74 0.05 116.57 120.29 2jfz h LYS 48 Ca 0.15 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2jfz h LYS 48 Cb 0.17 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2jfz h LYS 48 CO -0.01 0.38 0.27 0.37 -0.57 0.00 0.00 179.45 179.89 2jfz h GLN 49 N 0.60 1.00 -0.65 3.15 5.75 -1.32 -0.73 115.11 122.90 2jfz h GLN 49 Ca 0.24 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2jfz h GLN 49 Cb 0.11 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 2jfz h GLN 49 CO -0.14 0.82 0.43 0.74 -2.65 0.00 0.00 178.83 178.03 2jfz h PHE 50 N 0.98 0.81 -0.86 3.99 0.04 -0.57 -0.59 116.94 120.75 2jfz h PHE 50 Ca 0.23 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.02 2jfz h PHE 50 Cb 0.19 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 2jfz h PHE 50 CO 0.02 0.51 0.53 0.78 -0.60 0.00 0.00 178.31 179.54 2jfz h GLY 51 N 0.87 1.25 1.02 -1.45 0.00 -0.12 -1.47 103.07 103.17 2jfz h GLY 51 Ca 0.24 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 2jfz h GLY 51 CO -0.06 0.50 -0.07 1.41 0.00 0.00 0.00 176.54 178.32 2jfz h LEU 52 N 1.19 0.87 -1.83 3.11 3.38 -0.63 -2.53 115.31 118.86 2jfz h LEU 52 Ca 0.31 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2jfz h LEU 52 Cb -0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.45 2jfz h LEU 52 CO -0.06 1.01 -0.14 -0.33 0.09 0.00 0.00 178.44 179.01 2jfz h GLU 53 N 0.72 0.00 -0.40 1.13 5.08 -0.74 -1.58 114.58 118.79 2jfz h GLU 53 Ca 0.12 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.36 2jfz h GLU 53 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2jfz h GLU 53 CO 0.04 0.14 -0.23 0.00 -1.00 0.00 0.00 179.01 177.96 2jfz h ALA 54 N 1.86 0.84 -0.91 3.43 0.00 -0.85 -2.43 119.26 121.21 2jfz h ALA 54 Ca -0.00 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.55 2jfz h ALA 54 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2jfz h ALA 54 CO 0.02 0.64 0.59 -0.07 0.00 0.00 0.00 179.25 180.43 2jfz h LEU 55 N 0.70 1.00 -0.95 0.00 3.38 -1.11 -1.37 115.31 116.96 2jfz h LEU 55 Ca 0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jfz h LEU 55 Cb 0.76 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2jfz h LEU 55 CO 0.06 0.70 0.63 0.44 0.09 0.00 0.00 178.44 180.36 2jfz h ASP 56 N 1.17 1.10 -0.96 -0.43 3.32 -1.23 -2.30 116.42 117.09 2jfz h ASP 56 Ca 0.35 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.39 2jfz h ASP 56 Cb -0.05 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.18 2jfz h ASP 56 CO -0.10 0.79 0.63 0.15 -1.72 0.00 0.00 179.24 178.99 2jfz h PHE 57 N 1.29 1.19 0.00 4.55 3.57 -0.85 -2.95 116.94 123.74 2jfz h PHE 57 Ca 0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.88 2jfz h PHE 57 Cb -0.15 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.19 2jfz h PHE 57 CO -0.00 0.72 0.00 0.74 -2.23 0.00 0.00 178.31 177.54 2jfz h PHE 58 N 1.26 0.00 -0.80 0.41 -1.00 -1.04 -3.38 116.94 112.40 2jfz h PHE 58 Ca 0.36 0.00 0.18 0.00 2.81 0.00 0.00 57.97 61.33 2jfz h PHE 58 Cb -0.08 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.36 2jfz h PHE 58 CO -0.01 0.00 0.24 0.87 -1.61 0.00 0.00 178.31 177.80 2jfz h LYS 59 N 0.00 0.29 0.00 1.51 1.57 -1.29 -0.64 116.57 118.01 2jfz h LYS 59 Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2jfz h LYS 59 Cb 0.78 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2jfz h LYS 59 CO 0.00 0.19 -0.29 -1.35 -0.57 0.00 0.00 179.45 177.44 2jfz h PRO 60 N 0.30 0.00 0.00 3.15 0.11 -1.79 -3.12 132.00 130.64 2jfz h PRO 60 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2jfz h PRO 60 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2jfz h PRO 60 CO -0.53 0.29 0.00 0.72 -0.21 0.00 0.00 178.00 178.27 2jfz n HIS 61 N -3.53 0.00 -4.01 0.65 8.25 -0.25 -4.94 115.22 111.38 2jfz n HIS 61 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2jfz n HIS 61 Cb 0.44 -0.24 0.02 0.00 1.12 0.00 0.00 29.99 31.32 2jfz n HIS 61 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2jfz n GLU 62 N -1.24 -0.52 -2.97 -0.41 0.28 -1.18 -4.96 120.64 109.64 2jfz n GLU 62 Ca 0.13 0.22 -0.28 0.00 -0.16 0.00 0.00 57.16 57.07 2jfz n GLU 62 Cb 0.19 -2.53 -0.02 0.00 1.43 0.00 0.00 31.44 30.51 2jfz n GLU 62 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 2jfz s ILE 63 N -3.42 4.92 -0.99 3.84 -4.36 -1.26 -4.92 121.20 115.02 2jfz s ILE 63 Ca 0.40 0.22 0.16 0.00 -0.26 0.00 0.00 60.65 61.17 2jfz s ILE 63 Cb -0.22 -3.79 -0.13 0.00 1.25 0.00 0.00 42.46 39.57 2jfz s ILE 63 CO 0.95 -0.58 0.75 -0.62 0.24 0.00 0.00 174.94 175.68 2jfz n GLU 64 N -1.58 1.61 -3.58 0.37 1.02 -0.23 -4.98 120.64 113.27 2jfz n GLU 64 Ca -0.00 -0.23 -0.16 0.00 -0.02 0.00 0.00 57.16 56.75 2jfz n GLU 64 Cb 0.55 -1.28 -0.07 0.00 -0.02 0.00 0.00 31.44 30.62 2jfz n GLU 64 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jfz s LEU 65 N -2.60 -0.58 -0.10 -4.62 0.20 -1.26 -4.13 118.68 105.60 2jfz s LEU 65 Ca 0.08 0.97 0.03 0.00 0.69 0.00 0.00 54.13 55.90 2jfz s LEU 65 Cb 0.13 2.41 0.01 0.00 -0.43 0.00 0.00 46.19 48.30 2jfz s LEU 65 CO 0.61 -0.45 -0.20 -0.22 -0.29 0.00 0.00 176.35 175.80 2jfz s LEU 66 N -0.55 1.95 -0.20 -0.68 2.96 -0.57 -1.11 118.68 120.48 2jfz s LEU 66 Ca -0.07 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.28 2jfz s LEU 66 Cb -0.02 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 2jfz s LEU 66 CO 0.06 0.11 0.07 -0.63 -1.32 0.00 0.00 176.35 174.63 2jfz s ILE 67 N 0.53 4.70 -0.61 6.68 1.01 0.05 -0.63 121.20 132.93 2jfz s ILE 67 Ca -0.15 -0.06 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2jfz s ILE 67 Cb -0.17 -3.14 0.13 0.00 0.01 0.00 0.00 42.46 39.29 2jfz s ILE 67 CO 0.06 0.43 0.63 -0.69 0.00 0.00 0.00 174.94 175.36 2jfz s VAL 68 N 0.69 5.11 0.11 2.92 1.01 0.37 -0.30 120.40 130.31 2jfz s VAL 68 Ca 0.04 -1.45 0.20 0.00 0.00 0.00 0.00 61.98 60.76 2jfz s VAL 68 Cb -0.13 -4.43 0.16 0.00 0.00 0.00 0.00 36.38 31.98 2jfz s VAL 68 CO 0.02 -1.01 1.72 0.00 0.00 0.00 0.00 175.10 175.83 2jfz h ALA 69 N 8.85 0.96 -2.46 5.51 0.00 -1.08 -3.20 119.26 127.83 2jfz h ALA 69 Ca -0.23 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 53.83 2jfz h ALA 69 Cb 1.08 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2jfz h ALA 69 CO 1.03 0.43 0.68 0.00 0.00 0.00 0.00 179.25 181.38 2jfz h ASN 71 N 7.08 0.64 -0.19 0.00 4.21 -1.86 -0.67 115.58 124.79 2jfz h ASN 71 Ca -0.40 -0.39 -0.03 0.00 1.21 0.00 0.00 56.30 56.69 2jfz h ASN 71 Cb 1.20 -0.19 -0.01 0.00 -1.12 0.00 0.00 38.32 38.21 2jfz h ASN 71 CO 0.85 1.13 0.01 0.74 -1.29 0.00 0.00 177.43 178.88 2jfz h THR 72 N 0.40 1.24 -0.49 2.81 2.02 -1.91 -0.52 112.91 116.45 2jfz h THR 72 Ca -0.02 -0.81 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 2jfz h THR 72 Cb 1.24 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 2jfz h THR 72 CO 0.12 0.25 0.07 0.00 0.37 0.00 0.00 175.52 176.33 2jfz h ALA 73 N 0.80 1.20 -0.78 6.16 0.00 -1.96 -0.54 119.26 124.13 2jfz h ALA 73 Ca 0.05 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2jfz h ALA 73 Cb 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jfz h ALA 73 CO 0.01 0.54 0.31 0.77 0.00 0.00 0.00 179.25 180.87 2jfz h SER 74 N 0.74 1.08 -0.10 0.00 0.02 -0.89 0.18 113.55 114.57 2jfz h SER 74 Ca 0.16 -0.17 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 2jfz h SER 74 Cb 0.35 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.62 2jfz h SER 74 CO 0.01 0.96 -0.82 0.00 -1.14 0.00 0.00 176.83 175.83 2jfz h ALA 75 N 1.20 0.30 0.00 3.77 0.00 -0.56 -3.31 119.26 120.65 2jfz h ALA 75 Ca 0.26 -0.62 -0.34 0.00 0.00 0.00 0.00 54.91 54.21 2jfz h ALA 75 Cb 0.22 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 2jfz h ALA 75 CO -0.02 0.69 -2.28 1.28 0.00 0.00 0.00 179.25 178.92 2jfz n LEU 76 N -3.92 0.30 -0.00 0.00 4.32 -0.26 -4.74 117.00 112.70 2jfz n LEU 76 Ca -0.08 -0.01 0.05 0.00 -0.02 0.00 0.00 56.01 55.95 2jfz n LEU 76 Cb 0.77 0.33 -0.06 0.00 -1.62 0.00 0.00 43.42 42.84 2jfz n LEU 76 CO 0.53 0.50 -0.23 0.00 -1.22 0.00 0.00 177.39 176.97 2jfz n ALA 77 N -2.74 2.92 -0.07 -1.18 0.00 0.55 -4.53 120.51 115.46 2jfz n ALA 77 Ca -0.31 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 52.80 2jfz n ALA 77 Cb 1.09 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 20.19 2jfz n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2jfz h LEU 78 N 0.00 -0.77 -0.61 0.00 5.85 -1.46 -0.17 115.31 118.14 2jfz h LEU 78 Ca 0.00 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2jfz h LEU 78 Cb 0.30 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 2jfz h LEU 78 CO 0.00 -0.27 0.30 -0.08 -0.34 0.00 0.00 178.44 178.05 2jfz h GLU 79 N -0.22 0.53 -0.48 1.25 4.81 -1.85 0.48 114.58 119.10 2jfz h GLU 79 Ca 0.15 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 2jfz h GLU 79 Cb 0.46 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2jfz h GLU 79 CO -0.41 0.35 -0.12 1.49 -0.73 0.00 0.00 179.01 179.59 2jfz h GLU 80 N 0.54 0.88 -0.36 1.92 4.57 -1.75 -1.73 114.58 118.66 2jfz h GLU 80 Ca 0.29 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2jfz h GLU 80 Cb 0.25 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2jfz h GLU 80 CO -0.22 0.95 0.06 0.52 -1.18 0.00 0.00 179.01 179.14 2jfz h MET 81 N 0.79 0.60 -0.15 1.92 2.86 -0.35 -2.80 114.93 117.81 2jfz h MET 81 Ca 0.13 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 2jfz h MET 81 Cb 0.64 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 2jfz h MET 81 CO 0.04 0.67 -0.12 1.96 1.06 0.00 0.00 176.91 180.52 2jfz h GLN 82 N 0.44 0.23 -0.54 1.72 4.20 -0.79 -1.26 115.11 119.11 2jfz h GLN 82 Ca 0.11 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.80 2jfz h GLN 82 Cb 0.36 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 2jfz h GLN 82 CO 0.01 0.36 0.32 -0.22 -0.67 0.00 0.00 178.83 178.63 2jfz h LYS 83 N 0.22 0.61 -0.01 1.46 3.64 -1.04 -3.15 116.57 118.30 2jfz h LYS 83 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jfz h LYS 83 Cb 0.36 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jfz h LYS 83 CO 0.02 0.40 -0.76 0.66 -2.27 0.00 0.00 179.45 177.51 2jfz n TYR 84 N -4.80 0.00 -2.84 1.91 4.02 -1.10 -4.98 117.16 109.38 2jfz n TYR 84 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.54 2jfz n TYR 84 Cb 0.09 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.35 2jfz n TYR 84 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2jfz s SER 85 N -2.77 7.50 0.22 7.72 0.15 -0.49 -4.95 113.70 121.09 2jfz s SER 85 Ca 0.13 1.78 0.23 0.00 0.70 0.00 0.00 55.95 58.79 2jfz s SER 85 Cb 0.17 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 62.08 2jfz s SER 85 CO 0.73 0.13 1.22 0.11 1.20 0.00 0.00 173.24 176.63 2jfz h LYS 86 N 4.56 0.00 -6.20 5.44 1.79 -1.90 -3.46 116.57 116.79 2jfz h LYS 86 Ca -0.45 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.46 2jfz h LYS 86 Cb 1.20 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 2jfz h LYS 86 CO 0.68 0.00 -0.56 0.96 -1.08 0.00 0.00 179.45 179.45 2jfz s ILE 87 N -3.29 4.44 0.46 1.86 -4.36 -1.26 -5.08 121.20 113.97 2jfz s ILE 87 Ca 0.03 -1.20 -0.24 0.00 -0.26 0.00 0.00 60.65 58.98 2jfz s ILE 87 Cb 0.10 -3.30 -0.07 0.00 1.25 0.00 0.00 42.46 40.43 2jfz s ILE 87 CO 0.75 -0.18 1.23 -2.16 0.24 0.00 0.00 174.94 174.82 2jfz s PRO 88 N -3.32 3.70 -0.11 0.37 0.04 -1.26 -4.86 135.00 129.57 2jfz s PRO 88 Ca 0.31 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.33 2jfz s PRO 88 Cb -0.09 -2.47 0.02 0.00 0.04 0.00 0.00 34.50 31.99 2jfz s PRO 88 CO 0.24 -0.65 -0.15 0.42 0.04 0.00 0.00 177.00 176.90 2jfz s ILE 89 N -1.42 1.44 -0.15 0.56 1.01 -1.26 -1.51 121.20 119.87 2jfz s ILE 89 Ca 0.63 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2jfz s ILE 89 Cb -0.33 -1.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 2jfz s ILE 89 CO 0.41 0.43 -0.15 -0.69 0.00 0.00 0.00 174.94 174.94 2jfz s VAL 90 N 1.01 2.73 0.57 2.92 1.01 0.20 -4.99 120.40 123.85 2jfz s VAL 90 Ca -0.06 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2jfz s VAL 90 Cb -0.15 -2.15 0.10 0.00 0.00 0.00 0.00 36.38 34.18 2jfz s VAL 90 CO -0.02 0.51 0.78 0.61 0.00 0.00 0.00 175.10 176.99 2jfz n GLY 91 N 4.00 1.32 1.04 4.51 0.00 -1.26 -0.48 105.19 114.31 2jfz n GLY 91 Ca -0.19 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 43.82 2jfz n GLY 91 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jfz n VAL 92 N -2.38 0.47 -0.08 1.61 0.24 -1.21 -4.51 118.33 112.48 2jfz n VAL 92 Ca 0.14 -0.74 -0.09 0.00 -2.04 0.00 0.00 64.34 61.61 2jfz n VAL 92 Cb 0.52 1.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.84 2jfz n VAL 92 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2jfz h ILE 93 N 4.07 0.41 -0.72 1.34 2.04 -1.92 -3.34 117.51 119.38 2jfz h ILE 93 Ca 0.00 -1.44 0.08 0.00 1.00 0.00 0.00 64.86 64.50 2jfz h ILE 93 Cb 0.92 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 2jfz h ILE 93 CO 0.00 0.14 0.38 -0.08 0.00 0.00 0.00 178.15 178.59 2jfz h GLU 94 N -1.00 0.65 -0.88 2.37 4.81 -1.98 -1.57 114.58 116.98 2jfz h GLU 94 Ca -0.10 -0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.19 2jfz h GLU 94 Cb 0.69 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 2jfz h GLU 94 CO -0.06 0.43 0.57 -1.35 -0.73 0.00 0.00 179.01 177.87 2jfz h PRO 95 N 0.67 0.84 -0.34 0.92 0.11 -1.79 -0.78 132.00 131.63 2jfz h PRO 95 Ca 0.34 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 66.26 2jfz h PRO 95 Cb 0.31 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 2jfz h PRO 95 CO -0.24 0.55 -0.35 0.77 -0.21 0.00 0.00 178.00 178.52 2jfz h SER 96 N 0.86 0.81 -0.35 -2.05 0.02 -1.43 -0.70 113.55 110.71 2jfz h SER 96 Ca 0.41 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2jfz h SER 96 Cb 0.42 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2jfz h SER 96 CO -0.17 1.08 0.23 0.40 -1.14 0.00 0.00 176.83 177.22 2jfz h ILE 97 N 0.64 1.08 -0.67 3.27 1.08 -0.59 -0.28 117.51 122.03 2jfz h ILE 97 Ca 0.06 -0.16 -0.07 0.00 -0.39 0.00 0.00 64.86 64.30 2jfz h ILE 97 Cb 0.90 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 2jfz h ILE 97 CO 0.08 0.08 0.14 -0.07 -0.69 0.00 0.00 178.15 177.70 2jfz h LEU 98 N 0.46 1.03 -0.37 1.44 3.38 -1.06 -0.38 115.31 119.81 2jfz h LEU 98 Ca 0.13 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2jfz h LEU 98 Cb -0.04 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2jfz h LEU 98 CO -0.03 1.00 0.19 0.00 0.09 0.00 0.00 178.44 179.68 2jfz h ALA 99 N 1.12 0.46 -0.58 1.53 0.00 -0.57 -0.55 119.26 120.67 2jfz h ALA 99 Ca 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2jfz h ALA 99 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2jfz h ALA 99 CO 0.01 -0.18 0.23 0.82 0.00 0.00 0.00 179.25 180.12 2jfz h ILE 100 N 0.38 1.23 -0.81 0.00 2.04 -0.76 -1.59 117.51 117.99 2jfz h ILE 100 Ca 0.16 -0.72 0.08 0.00 1.00 0.00 0.00 64.86 65.38 2jfz h ILE 100 Cb 0.07 0.61 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 2jfz h ILE 100 CO -0.11 0.28 0.47 0.50 0.00 0.00 0.00 178.15 179.29 2jfz h LYS 101 N 0.81 0.79 -0.15 2.37 3.64 -0.37 0.43 116.57 124.08 2jfz h LYS 101 Ca 0.19 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.34 2jfz h LYS 101 Cb 0.21 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2jfz h LYS 101 CO -0.01 0.52 -0.66 0.00 -2.27 0.00 0.00 179.45 177.03 2jfz h ARG 102 N 0.82 0.59 -0.09 1.90 3.08 -0.77 -3.35 114.38 116.57 2jfz h ARG 102 Ca 0.38 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2jfz h ARG 102 Cb 0.30 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2jfz h ARG 102 CO -0.22 1.06 0.00 0.00 -1.07 0.00 0.00 179.97 179.73 2jfz n GLN 103 N -3.92 1.50 -3.83 0.04 10.64 -0.63 -4.82 117.38 116.37 2jfz n GLN 103 Ca -0.05 -1.60 -0.30 0.00 -1.83 0.00 0.00 57.00 53.23 2jfz n GLN 103 Cb 0.68 -1.33 -0.14 0.00 -0.86 0.00 0.00 30.24 28.59 2jfz n GLN 103 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2jfz s VAL 104 N -1.33 1.83 0.10 -0.39 1.01 0.15 -4.97 120.40 116.79 2jfz s VAL 104 Ca 0.21 -2.63 -0.14 0.00 0.00 0.00 0.00 61.98 59.43 2jfz s VAL 104 Cb 0.14 -2.30 -0.14 0.00 0.00 0.00 0.00 36.38 34.09 2jfz s VAL 104 CO 0.21 -0.80 1.33 -0.33 0.00 0.00 0.00 175.10 175.51 2jfz h GLU 105 N 6.94 0.76 -6.05 2.72 4.39 -1.83 -3.43 114.58 118.08 2jfz h GLU 105 Ca -0.05 -0.55 -0.53 0.00 0.34 0.00 0.00 59.36 58.57 2jfz h GLU 105 Cb 0.94 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 2jfz h GLU 105 CO 0.55 1.17 1.36 0.34 -1.16 0.00 0.00 179.01 181.27 2jfz s ASP 106 N -6.91 5.43 0.21 1.42 -1.08 -1.26 -4.82 116.67 109.66 2jfz s ASP 106 Ca -0.11 0.89 0.18 0.00 -0.52 0.00 0.00 52.55 52.99 2jfz s ASP 106 Cb 0.08 -2.52 0.85 0.00 -1.46 0.00 0.00 42.92 39.87 2jfz s ASP 106 CO 0.88 -2.15 1.55 0.29 0.52 0.00 0.00 175.17 176.26 2jfz n LYS 107 N 8.83 0.12 -0.11 4.34 4.76 -1.26 -1.36 118.16 133.48 2jfz n LYS 107 Ca 0.24 0.49 0.12 0.00 -2.87 0.00 0.00 58.31 56.29 2jfz n LYS 107 Cb 0.50 -1.80 0.21 0.00 -1.84 0.00 0.00 35.03 32.10 2jfz n LYS 107 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2jfz n ASN 108 N -2.03 3.06 -4.72 4.39 3.02 -1.26 -0.77 115.26 116.94 2jfz n ASN 108 Ca 0.01 -1.95 -0.42 0.00 -0.03 0.00 0.00 54.58 52.19 2jfz n ASN 108 Cb 0.11 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 2jfz n ASN 108 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jfz s ALA 109 N -1.71 3.85 -0.07 5.41 0.00 -0.46 -4.65 121.76 124.13 2jfz s ALA 109 Ca 0.35 1.48 -0.30 0.00 0.00 0.00 0.00 51.96 53.49 2jfz s ALA 109 Cb 0.21 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2jfz s ALA 109 CO 0.31 -0.85 1.58 -1.25 0.00 0.00 0.00 175.76 175.54 2jfz s PRO 110 N 1.07 4.19 -0.12 0.00 0.04 -1.26 -4.46 135.00 134.47 2jfz s PRO 110 Ca 0.72 2.09 -0.02 0.00 0.04 0.00 0.00 61.00 63.83 2jfz s PRO 110 Cb -0.47 -3.93 -0.03 0.00 0.04 0.00 0.00 34.50 30.11 2jfz s PRO 110 CO 0.32 -0.81 -0.05 0.42 0.04 0.00 0.00 177.00 176.92 2jfz s ILE 111 N 3.89 3.78 -0.19 0.56 1.01 0.18 -1.22 121.20 129.21 2jfz s ILE 111 Ca 0.70 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.93 2jfz s ILE 111 Cb -0.31 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.56 2jfz s ILE 111 CO 0.27 0.54 -0.16 -0.22 0.00 0.00 0.00 174.94 175.37 2jfz s LEU 112 N -0.11 2.37 -0.26 2.97 2.96 0.41 -0.21 118.68 126.81 2jfz s LEU 112 Ca 0.02 -0.63 -0.12 0.00 -0.22 0.00 0.00 54.13 53.18 2jfz s LEU 112 Cb -0.13 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2jfz s LEU 112 CO 0.03 -0.02 0.23 -0.69 -1.32 0.00 0.00 176.35 174.58 2jfz s VAL 113 N 1.32 5.29 -0.09 1.68 1.01 0.13 -0.79 120.40 128.96 2jfz s VAL 113 Ca 0.05 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2jfz s VAL 113 Cb -0.14 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 2jfz s VAL 113 CO -0.10 0.27 -0.10 -0.76 0.00 0.00 0.00 175.10 174.40 2jfz s LEU 114 N 1.53 2.93 0.00 3.92 1.43 -0.88 -0.43 118.68 127.18 2jfz s LEU 114 Ca 0.10 -0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 52.97 2jfz s LEU 114 Cb -0.15 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2jfz s LEU 114 CO 0.08 0.29 0.32 0.61 0.23 0.00 0.00 176.35 177.88 2jfz n GLY 115 N 2.70 0.81 3.70 -3.19 0.00 -1.08 -0.94 105.19 107.19 2jfz n GLY 115 Ca -0.18 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2jfz n GLY 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jfz s THR 116 N -2.27 2.05 0.22 2.61 -4.23 -1.26 -2.26 115.64 110.48 2jfz s THR 116 Ca 0.07 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.51 2jfz s THR 116 Cb -0.00 -2.57 0.17 0.00 1.34 0.00 0.00 72.50 71.44 2jfz s THR 116 CO 0.01 -0.02 1.88 0.50 -0.54 0.00 0.00 174.62 176.45 2jfz h LYS 117 N -1.81 1.02 -0.25 3.99 1.63 -1.87 -1.37 116.57 117.90 2jfz h LYS 117 Ca -0.54 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.16 2jfz h LYS 117 Cb 1.33 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.72 2jfz h LYS 117 CO 0.59 0.67 -0.03 0.00 -3.45 0.00 0.00 179.45 177.23 2jfz h ALA 118 N 1.30 0.34 -0.15 5.00 0.00 -1.35 -1.07 119.26 123.33 2jfz h ALA 118 Ca 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2jfz h ALA 118 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jfz h ALA 118 CO -0.08 0.10 0.09 1.15 0.00 0.00 0.00 179.25 180.52 2jfz h THR 119 N 0.22 1.07 -0.19 0.00 2.02 -1.78 -2.03 112.91 112.22 2jfz h THR 119 Ca 0.07 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2jfz h THR 119 Cb 0.47 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 2jfz h THR 119 CO 0.02 0.06 0.03 0.40 0.37 0.00 0.00 175.52 176.40 2jfz h ILE 120 N 0.18 1.23 -0.60 3.11 1.08 -1.27 -2.81 117.51 118.43 2jfz h ILE 120 Ca 0.06 -0.75 0.14 0.00 -0.39 0.00 0.00 64.86 63.92 2jfz h ILE 120 Cb 0.02 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 2jfz h ILE 120 CO -0.01 0.23 0.41 -0.61 -0.69 0.00 0.00 178.15 177.48 2jfz h GLN 121 N 0.11 0.18 0.00 2.37 4.15 -1.10 -0.62 115.11 120.19 2jfz h GLN 121 Ca 0.06 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 2jfz h GLN 121 Cb 0.32 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2jfz h GLN 121 CO 0.00 0.12 -0.20 0.66 -1.93 0.00 0.00 178.83 177.49 2jfz h SER 122 N 0.19 0.00 -1.05 -0.69 4.64 -1.10 -3.47 113.55 112.07 2jfz h SER 122 Ca 0.29 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 61.19 2jfz h SER 122 Cb 0.87 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.80 2jfz h SER 122 CO -0.05 0.20 -0.38 0.59 -0.87 0.00 0.00 176.83 176.31 2jfz n ASN 123 N -3.35 -5.47 -0.16 4.97 3.02 -0.24 -4.86 115.26 109.17 2jfz n ASN 123 Ca 0.00 0.48 -0.02 0.00 -0.03 0.00 0.00 54.58 55.02 2jfz n ASN 123 Cb 0.42 -4.75 0.07 0.00 -0.61 0.00 0.00 39.78 34.91 2jfz n ASN 123 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jfz h ALA 124 N 0.04 0.54 0.12 5.41 0.00 -1.83 0.28 119.26 123.82 2jfz h ALA 124 Ca -0.42 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2jfz h ALA 124 Cb 1.33 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2jfz h ALA 124 CO 0.61 -0.34 -0.06 1.88 0.00 0.00 0.00 179.25 181.34 2jfz h TYR 125 N 0.19 -0.15 -0.30 0.00 -1.99 -1.89 -2.77 116.97 110.05 2jfz h TYR 125 Ca 0.26 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 61.05 2jfz h TYR 125 Cb 0.37 0.05 -0.07 0.00 2.00 0.00 0.00 36.73 39.08 2jfz h TYR 125 CO -0.26 0.18 -0.18 -0.44 -0.00 0.00 0.00 178.16 177.45 2jfz h ASP 126 N -0.50 -0.61 -0.24 3.88 5.19 -1.87 -0.53 116.42 121.74 2jfz h ASP 126 Ca -0.02 0.13 0.02 0.00 -0.62 0.00 0.00 57.03 56.55 2jfz h ASP 126 Cb 0.40 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2jfz h ASP 126 CO 0.03 -0.22 0.09 0.78 -3.12 0.00 0.00 179.24 176.80 2jfz h ASN 127 N -0.15 0.12 -0.60 6.45 2.35 -1.01 -0.10 115.58 122.65 2jfz h ASN 127 Ca 0.16 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2jfz h ASN 127 Cb 0.39 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 2jfz h ASN 127 CO -0.40 0.10 0.39 0.00 -1.65 0.00 0.00 177.43 175.88 2jfz h ALA 128 N 1.14 0.77 -0.56 -0.83 0.00 -1.17 -1.09 119.26 117.52 2jfz h ALA 128 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jfz h ALA 128 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2jfz h ALA 128 CO -0.09 0.18 0.18 -0.07 0.00 0.00 0.00 179.25 179.44 2jfz h LEU 129 N 0.79 0.81 -0.57 0.00 3.38 -0.75 -2.20 115.31 116.77 2jfz h LEU 129 Ca 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jfz h LEU 129 Cb -0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2jfz h LEU 129 CO -0.06 0.79 0.37 0.11 0.09 0.00 0.00 178.44 179.74 2jfz h LYS 130 N 0.77 0.76 -0.10 1.13 1.57 -0.68 -0.73 116.57 119.28 2jfz h LYS 130 Ca 0.18 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2jfz h LYS 130 Cb 0.27 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jfz h LYS 130 CO -0.01 0.51 0.07 0.37 -0.57 0.00 0.00 179.45 179.83 2jfz h GLN 131 N 0.77 0.00 -0.24 3.15 4.15 -0.90 0.10 115.11 122.14 2jfz h GLN 131 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 2jfz h GLN 131 Cb -0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.62 2jfz h GLN 131 CO -0.04 0.00 0.00 1.04 -1.93 0.00 0.00 178.83 177.90 2jfz n GLN 132 N -4.47 1.62 -0.50 1.69 1.13 -0.35 -4.91 117.38 111.59 2jfz n GLN 132 Ca -0.01 -0.95 0.00 0.00 -1.94 0.00 0.00 57.00 54.10 2jfz n GLN 132 Cb 0.19 -1.25 0.00 0.00 0.11 0.00 0.00 30.24 29.29 2jfz n GLN 132 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jfz n GLY 133 N 0.96 0.75 3.75 1.08 0.00 0.35 -5.05 105.19 107.03 2jfz n GLY 133 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2jfz n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jfz s TYR 134 N -2.68 3.64 -0.80 1.61 1.51 -0.81 -4.84 117.35 114.99 2jfz s TYR 134 Ca 0.00 1.68 0.06 0.00 -1.01 0.00 0.00 57.07 57.81 2jfz s TYR 134 Cb 0.00 -3.24 0.06 0.00 -0.11 0.00 0.00 41.96 38.67 2jfz s TYR 134 CO 0.00 -0.43 0.73 1.28 -1.11 0.00 0.00 175.55 176.01 2jfz n LEU 135 N 1.80 1.59 -3.65 -1.29 4.77 0.05 -4.36 117.00 115.90 2jfz n LEU 135 Ca 0.01 -1.05 -0.28 0.00 -0.03 0.00 0.00 56.01 54.66 2jfz n LEU 135 Cb 0.46 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 2jfz n LEU 135 CO 0.53 0.33 -0.18 0.21 -1.33 0.00 0.00 177.39 176.96 2jfz s ASN 136 N -0.56 3.19 -0.13 -1.43 3.84 -1.25 -5.00 114.94 113.60 2jfz s ASN 136 Ca 0.08 -3.40 0.01 0.00 0.21 0.00 0.00 52.86 49.77 2jfz s ASN 136 Cb 0.05 -1.04 -0.01 0.00 -0.55 0.00 0.00 41.25 39.71 2jfz s ASN 136 CO 0.08 -0.14 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.46 2jfz s ILE 137 N -0.62 2.67 0.06 -5.21 1.01 -1.26 -0.65 121.20 117.21 2jfz s ILE 137 Ca 0.28 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 60.19 2jfz s ILE 137 Cb -0.02 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 2jfz s ILE 137 CO -0.17 0.53 -0.16 -0.44 0.00 0.00 0.00 174.94 174.71 2jfz s SER 138 N 0.44 1.88 0.05 3.58 0.01 0.70 -4.97 113.70 115.39 2jfz s SER 138 Ca -0.12 -0.55 0.03 0.00 1.31 0.00 0.00 55.95 56.62 2jfz s SER 138 Cb -0.16 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2jfz s SER 138 CO 0.06 0.02 -0.09 -1.38 0.41 0.00 0.00 173.24 172.25 2jfz s HIS 139 N -1.02 0.76 -0.06 2.43 -3.43 -1.26 0.18 115.29 112.89 2jfz s HIS 139 Ca 0.02 -0.52 -0.02 0.00 -0.80 0.00 0.00 55.06 53.74 2jfz s HIS 139 Cb -0.09 -0.45 0.04 0.00 -1.43 0.00 0.00 32.58 30.65 2jfz s HIS 139 CO 0.02 -0.07 0.12 -0.51 -2.00 0.00 0.00 174.74 172.30 2jfz s LEU 140 N -1.70 0.74 -0.85 5.38 1.43 0.42 -4.91 118.68 119.21 2jfz s LEU 140 Ca -0.07 0.24 -0.19 0.00 -1.03 0.00 0.00 54.13 53.08 2jfz s LEU 140 Cb -0.09 0.26 0.13 0.00 0.03 0.00 0.00 46.19 46.51 2jfz s LEU 140 CO 0.00 -0.15 1.03 0.00 0.23 0.00 0.00 176.35 177.46 2jfz s ALA 141 N 1.23 3.39 -1.21 4.21 0.00 -1.26 -2.65 121.76 125.47 2jfz s ALA 141 Ca -0.08 -2.62 -0.06 0.00 0.00 0.00 0.00 51.96 49.20 2jfz s ALA 141 Cb -0.12 -3.92 0.05 0.00 0.00 0.00 0.00 23.12 19.13 2jfz s ALA 141 CO -0.05 -2.83 2.62 0.25 0.00 0.00 0.00 175.76 175.74 2jfz n THR 142 N 5.44 4.71 -0.24 0.00 -2.24 -0.96 -4.80 114.28 116.19 2jfz n THR 142 Ca 0.15 -3.66 0.03 0.00 -2.27 0.00 0.00 64.05 58.31 2jfz n THR 142 Cb 0.48 -2.12 0.12 0.00 -2.10 0.00 0.00 70.33 66.71 2jfz n THR 142 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2jfz h SER 143 N 4.40 -0.43 0.14 3.42 0.87 -1.91 -1.71 113.55 118.33 2jfz h SER 143 Ca 0.68 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.43 2jfz h SER 143 Cb 0.41 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 2jfz h SER 143 CO 1.40 -0.19 0.00 -0.07 -0.53 0.00 0.00 176.83 177.45 2jfz h LEU 144 N 0.07 0.00 -1.22 2.23 3.38 -1.96 -2.43 115.31 115.38 2jfz h LEU 144 Ca 0.37 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.38 2jfz h LEU 144 Cb 0.63 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 2jfz h LEU 144 CO -0.66 0.00 0.54 -0.26 0.09 0.00 0.00 178.44 178.15 2jfz h PHE 145 N 0.00 0.98 0.85 1.13 0.05 -1.72 -2.31 116.94 115.92 2jfz h PHE 145 Ca 0.00 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.78 2jfz h PHE 145 Cb 0.07 -0.33 -0.00 0.00 2.00 0.00 0.00 35.95 37.69 2jfz h PHE 145 CO 0.00 0.56 -0.50 0.28 -0.18 0.00 0.00 178.31 178.48 2jfz h VAL 146 N 1.01 0.00 -0.26 -0.55 2.07 -1.62 -0.63 116.25 116.28 2jfz h VAL 146 Ca 0.33 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.81 2jfz h VAL 146 Cb 0.06 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2jfz h VAL 146 CO -0.10 0.00 -0.04 1.55 0.02 0.00 0.00 177.57 179.00 2jfz h PRO 147 N -1.26 0.40 -0.27 1.57 0.13 -1.72 -1.25 132.00 129.60 2jfz h PRO 147 Ca -0.12 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2jfz h PRO 147 Cb 0.99 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2jfz h PRO 147 CO 0.14 0.46 0.16 -0.07 -0.23 0.00 0.00 178.00 178.45 2jfz h LEU 148 N 0.38 0.33 -1.22 1.56 4.07 -1.29 -1.23 115.31 117.91 2jfz h LEU 148 Ca 0.08 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.93 2jfz h LEU 148 Cb 0.32 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2jfz h LEU 148 CO 0.01 0.29 0.02 0.40 -1.08 0.00 0.00 178.44 178.09 2jfz h ILE 149 N 0.34 1.20 0.00 1.22 2.04 -0.74 -0.39 117.51 121.17 2jfz h ILE 149 Ca 0.10 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 2jfz h ILE 149 Cb 0.03 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2jfz h ILE 149 CO -0.02 0.27 -0.15 -0.33 0.00 0.00 0.00 178.15 177.92 2jfz h GLU 150 N 0.53 0.00 -0.29 2.37 5.08 -0.64 -1.51 114.58 120.13 2jfz h GLU 150 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2jfz h GLU 150 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2jfz h GLU 150 CO 0.01 0.15 0.00 0.39 -1.00 0.00 0.00 179.01 178.55 2jfz n GLU 151 N -3.31 1.99 -3.40 2.33 -0.58 -0.52 -4.93 120.64 112.22 2jfz n GLU 151 Ca 0.00 -1.51 -0.20 0.00 -0.42 0.00 0.00 57.16 55.04 2jfz n GLU 151 Cb 0.38 -1.41 0.07 0.00 -0.57 0.00 0.00 31.44 29.90 2jfz n GLU 151 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2jfz n SER 152 N 0.73 -5.47 -4.34 1.62 2.88 -0.57 -4.94 113.62 103.52 2jfz n SER 152 Ca 0.17 -0.45 -0.45 0.00 -1.33 0.00 0.00 58.87 56.80 2jfz n SER 152 Cb 0.41 -4.27 -0.00 0.00 -0.75 0.00 0.00 64.21 59.60 2jfz n SER 152 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2jfz s ILE 153 N -3.27 5.91 -1.89 2.46 1.01 -0.24 -4.79 121.20 120.40 2jfz s ILE 153 Ca 0.46 -3.21 0.21 0.00 0.00 0.00 0.00 60.65 58.12 2jfz s ILE 153 Cb -0.20 -4.58 0.59 0.00 0.01 0.00 0.00 42.46 38.28 2jfz s ILE 153 CO 0.61 -1.16 1.50 0.18 0.00 0.00 0.00 174.94 176.06 2jfz n LEU 154 N 3.01 3.81 0.00 2.97 4.77 -1.26 -4.43 117.00 125.86 2jfz n LEU 154 Ca 0.22 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 2jfz n LEU 154 Cb 0.41 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 2jfz n LEU 154 CO 0.44 0.94 0.93 -1.84 -1.33 0.00 0.00 177.39 176.53 2jfz n GLU 155 N 1.51 0.36 0.00 3.23 -0.00 -1.26 -4.95 120.64 119.54 2jfz n GLU 155 Ca 0.23 -1.03 0.00 0.00 -0.00 0.00 0.00 57.16 56.36 2jfz n GLU 155 Cb 0.60 1.52 0.00 0.00 -0.00 0.00 0.00 31.44 33.56 2jfz n GLU 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jfz n GLY 156 N -0.80 0.43 0.29 -1.84 0.00 -1.26 -4.37 105.19 97.64 2jfz n GLY 156 Ca 0.02 -1.96 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 2jfz n GLY 156 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jfz h GLU 157 N 0.00 0.73 -0.39 1.61 4.81 -2.02 -2.43 114.58 116.88 2jfz h GLU 157 Ca 0.00 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2jfz h GLU 157 Cb 0.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2jfz h GLU 157 CO 0.00 0.67 0.20 1.25 -0.73 0.00 0.00 179.01 180.40 2jfz h LEU 158 N 0.71 0.51 -0.32 1.64 5.85 -1.99 0.27 115.31 121.98 2jfz h LEU 158 Ca 0.16 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 2jfz h LEU 158 Cb 0.28 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2jfz h LEU 158 CO -0.00 0.48 0.00 0.25 -0.34 0.00 0.00 178.44 178.83 2jfz h LEU 159 N 0.50 0.55 -0.53 2.25 5.85 -1.74 -0.76 115.31 121.43 2jfz h LEU 159 Ca 0.14 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2jfz h LEU 159 Cb 0.10 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2jfz h LEU 159 CO -0.02 0.72 0.26 -0.08 -0.34 0.00 0.00 178.44 178.98 2jfz h GLU 160 N 0.36 0.49 -0.38 1.25 4.57 -1.19 0.17 114.58 119.86 2jfz h GLU 160 Ca 0.09 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.15 2jfz h GLU 160 Cb 0.44 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2jfz h GLU 160 CO 0.02 0.33 -0.12 1.15 -1.18 0.00 0.00 179.01 179.20 2jfz h THR 161 N 0.51 1.25 -0.38 0.32 2.02 -0.29 -0.53 112.91 115.81 2jfz h THR 161 Ca 0.23 -1.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.20 2jfz h THR 161 Cb 0.15 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2jfz h THR 161 CO -0.17 0.38 -0.12 0.00 0.37 0.00 0.00 175.52 175.98 2jfz h MET 163 N 0.55 1.12 -0.66 0.00 2.07 -0.48 -2.41 114.93 115.11 2jfz h MET 163 Ca 0.09 -0.27 0.00 0.00 -2.07 0.00 0.00 59.70 57.46 2jfz h MET 163 Cb 0.65 -0.15 -0.03 0.00 -1.87 0.00 0.00 31.60 30.20 2jfz h MET 163 CO 0.04 0.98 0.42 1.25 1.07 0.00 0.00 176.91 180.68 2jfz h HIS 164 N 1.06 0.86 -0.61 -0.22 6.17 -0.84 0.16 115.15 121.74 2jfz h HIS 164 Ca 0.22 0.01 0.06 0.00 0.71 0.00 0.00 60.37 61.37 2jfz h HIS 164 Cb 0.37 -0.29 -0.06 0.00 2.52 0.00 0.00 27.41 29.96 2jfz h HIS 164 CO 0.03 0.56 0.31 -0.92 0.71 0.00 0.00 177.93 178.62 2jfz h TYR 165 N 0.90 0.56 0.20 5.26 3.20 -0.57 -1.66 116.97 124.87 2jfz h TYR 165 Ca 0.24 0.02 -0.34 0.00 3.14 0.00 0.00 58.73 61.80 2jfz h TYR 165 Cb -0.07 -0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.06 2jfz h TYR 165 CO -0.02 0.25 -1.58 1.88 -1.64 0.00 0.00 178.16 177.05 2jfz h TYR 166 N 0.57 0.79 0.01 -3.82 0.99 -1.09 -3.40 116.97 111.01 2jfz h TYR 166 Ca 0.28 -0.57 -0.24 0.00 2.00 0.00 0.00 58.73 60.19 2jfz h TYR 166 Cb 0.21 -0.03 -0.03 0.00 1.00 0.00 0.00 36.73 37.88 2jfz h TYR 166 CO -0.10 1.57 -1.24 0.74 -0.00 0.00 0.00 178.16 179.12 2jfz h PHE 167 N 0.12 0.03 -0.88 4.88 0.05 -0.66 -3.38 116.94 117.10 2jfz h PHE 167 Ca -0.28 -0.02 0.18 0.00 3.82 0.00 0.00 57.97 61.67 2jfz h PHE 167 Cb 2.11 -0.00 -0.11 0.00 2.00 0.00 0.00 35.95 39.95 2jfz h PHE 167 CO 0.11 1.02 0.43 1.15 -0.18 0.00 0.00 178.31 180.84 2jfz h THR 168 N 0.00 0.61 0.00 -1.55 2.02 -1.49 -0.80 112.91 111.70 2jfz h THR 168 Ca -0.11 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2jfz h THR 168 Cb 1.86 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2jfz h THR 168 CO 0.12 0.10 0.00 -0.65 0.37 0.00 0.00 175.52 175.45 2jfz h PRO 169 N 0.53 0.00 -6.71 6.66 0.11 -1.83 -3.44 132.00 127.31 2jfz h PRO 169 Ca 0.52 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 66.10 2jfz h PRO 169 Cb 0.86 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.03 2jfz h PRO 169 CO -0.44 0.00 0.82 -0.51 -0.21 0.00 0.00 178.00 177.66 2jfz s LEU 170 N -4.64 4.37 -0.26 2.35 1.43 -0.31 -4.92 118.68 116.71 2jfz s LEU 170 Ca 0.00 2.70 0.10 0.00 -1.03 0.00 0.00 54.13 55.90 2jfz s LEU 170 Cb 0.08 -3.62 0.46 0.00 0.03 0.00 0.00 46.19 43.14 2jfz s LEU 170 CO 0.29 -0.77 1.32 -0.62 0.23 0.00 0.00 176.35 176.80 2jfz n GLU 171 N 2.80 1.89 -4.16 1.70 -0.58 -1.26 -5.01 120.64 116.02 2jfz n GLU 171 Ca 0.09 -3.36 -0.13 0.00 -0.42 0.00 0.00 57.16 53.34 2jfz n GLU 171 Cb 0.39 -1.77 -0.11 0.00 -0.57 0.00 0.00 31.44 29.39 2jfz n GLU 171 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2jfz s ILE 172 N -3.41 0.83 -0.80 -3.67 -4.36 -1.26 -5.09 121.20 103.43 2jfz s ILE 172 Ca 0.42 -1.65 -0.08 0.00 -0.26 0.00 0.00 60.65 59.08 2jfz s ILE 172 Cb 0.39 -1.35 0.21 0.00 1.25 0.00 0.00 42.46 42.96 2jfz s ILE 172 CO -0.04 -0.62 0.70 -0.76 0.24 0.00 0.00 174.94 174.47 2jfz s LEU 173 N -2.50 6.04 0.25 0.37 1.43 -1.26 -5.05 118.68 117.96 2jfz s LEU 173 Ca 0.05 -3.00 -0.31 0.00 -1.03 0.00 0.00 54.13 49.84 2jfz s LEU 173 Cb -0.02 -2.05 -0.13 0.00 0.03 0.00 0.00 46.19 44.02 2jfz s LEU 173 CO -0.01 -0.42 1.44 -0.81 0.23 0.00 0.00 176.35 176.78 2jfz n PRO 174 N 3.42 2.17 -0.00 1.29 -0.04 -1.26 -4.72 135.00 135.85 2jfz n PRO 174 Ca 0.14 0.77 0.07 0.00 -0.04 0.00 0.00 63.50 64.44 2jfz n PRO 174 Cb 0.42 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.33 2jfz n PRO 174 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2jfz n GLU 175 N 1.98 1.18 -3.77 0.54 1.02 -0.36 -4.59 120.64 116.65 2jfz n GLU 175 Ca 0.11 -0.08 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 2jfz n GLU 175 Cb 0.33 -1.28 -0.15 0.00 -0.02 0.00 0.00 31.44 30.31 2jfz n GLU 175 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jfz s VAL 176 N -2.76 -0.05 -0.15 2.62 1.01 -0.99 -0.57 120.40 119.50 2jfz s VAL 176 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.16 2jfz s VAL 176 Cb 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.35 2jfz s VAL 176 CO 0.61 0.07 -0.13 -0.63 0.00 0.00 0.00 175.10 175.02 2jfz s ILE 177 N 1.03 1.53 -0.15 2.22 1.01 0.91 -0.45 121.20 127.30 2jfz s ILE 177 Ca -0.08 -0.64 -0.20 0.00 0.00 0.00 0.00 60.65 59.72 2jfz s ILE 177 Cb -0.11 -1.47 -0.03 0.00 0.01 0.00 0.00 42.46 40.86 2jfz s ILE 177 CO -0.04 0.42 0.59 -0.63 0.00 0.00 0.00 174.94 175.27 2jfz s ILE 178 N 1.50 5.08 -1.25 2.92 1.01 0.03 -0.54 121.20 129.95 2jfz s ILE 178 Ca 0.04 1.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.77 2jfz s ILE 178 Cb -0.13 -3.91 0.18 0.00 0.01 0.00 0.00 42.46 38.61 2jfz s ILE 178 CO -0.10 0.20 2.00 0.18 0.00 0.00 0.00 174.94 177.22 2jfz n LEU 179 N 4.41 7.17 -1.98 2.97 4.77 -0.60 -2.08 117.00 131.67 2jfz n LEU 179 Ca -0.03 -4.86 -0.03 0.00 -0.03 0.00 0.00 56.01 51.06 2jfz n LEU 179 Cb 0.51 -1.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.17 2jfz n LEU 179 CO 0.44 1.71 0.73 0.61 -1.33 0.00 0.00 177.39 179.55 2jfz n GLY 180 N 2.01 1.69 3.63 -0.72 0.00 -0.12 -4.42 105.19 107.26 2jfz n GLY 180 Ca 0.46 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2jfz n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jfz h THR 182 N 4.28 0.59 0.00 0.00 1.35 -1.84 -2.42 112.91 114.87 2jfz h THR 182 Ca -0.29 -0.09 -0.19 0.00 -0.55 0.00 0.00 66.41 65.29 2jfz h THR 182 Cb 1.18 0.32 -0.03 0.00 -1.73 0.00 0.00 68.15 67.90 2jfz h THR 182 CO 0.09 0.05 -0.92 0.45 -0.25 0.00 0.00 175.52 174.94 2jfz h HIS 183 N 0.25 0.00 -0.32 4.73 3.86 -1.94 -3.38 115.15 118.35 2jfz h HIS 183 Ca 0.48 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.76 2jfz h HIS 183 Cb 1.47 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.92 2jfz h HIS 183 CO -0.00 0.92 0.22 0.74 0.86 0.00 0.00 177.93 180.67 2jfz h PHE 184 N 0.00 0.16 -0.14 2.45 0.05 -1.75 -2.50 116.94 115.21 2jfz h PHE 184 Ca -0.01 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.82 2jfz h PHE 184 Cb 1.63 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 39.52 2jfz h PHE 184 CO 0.00 0.08 0.15 -1.35 -0.18 0.00 0.00 178.31 177.01 2jfz h PRO 185 N 0.16 0.00 0.00 1.51 0.11 -1.75 -0.70 132.00 131.33 2jfz h PRO 185 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2jfz h PRO 185 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2jfz h PRO 185 CO -0.02 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.05 2jfz n LEU 186 N -3.88 0.67 -0.23 2.35 4.32 -0.94 -2.52 117.00 116.76 2jfz n LEU 186 Ca 0.00 0.69 0.05 0.00 -0.02 0.00 0.00 56.01 56.74 2jfz n LEU 186 Cb 0.26 -0.64 0.07 0.00 -1.62 0.00 0.00 43.42 41.49 2jfz n LEU 186 CO 0.28 -0.66 0.42 2.30 -1.22 0.00 0.00 177.39 178.51 2jfz n ILE 187 N -2.27 0.98 -0.11 -0.08 -5.35 -0.32 -4.86 119.36 107.35 2jfz n ILE 187 Ca 0.01 -1.16 -0.05 0.00 -0.27 0.00 0.00 62.75 61.28 2jfz n ILE 187 Cb 0.19 0.17 0.01 0.00 -1.74 0.00 0.00 39.64 38.26 2jfz n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jfz h ALA 188 N 0.00 0.21 -0.88 -1.28 0.00 -1.12 0.15 119.26 116.34 2jfz h ALA 188 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jfz h ALA 188 Cb 1.13 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 2jfz h ALA 188 CO 0.00 -0.48 0.53 0.37 0.00 0.00 0.00 179.25 179.67 2jfz h GLN 189 N -0.04 1.19 -0.71 0.00 5.75 -1.89 0.71 115.11 120.12 2jfz h GLN 189 Ca 0.19 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 2jfz h GLN 189 Cb 0.32 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 2jfz h GLN 189 CO -0.41 0.83 0.27 0.87 -2.65 0.00 0.00 178.83 177.74 2jfz h LYS 190 N 1.20 1.06 -0.17 1.69 1.79 -1.62 0.21 116.57 120.74 2jfz h LYS 190 Ca 0.31 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2jfz h LYS 190 Cb -0.05 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 2jfz h LYS 190 CO -0.06 0.87 -0.04 0.82 -1.08 0.00 0.00 179.45 179.96 2jfz h ILE 191 N 1.04 1.29 -0.51 1.86 2.04 0.08 -0.40 117.51 122.92 2jfz h ILE 191 Ca 0.24 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 65.09 2jfz h ILE 191 Cb 0.22 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2jfz h ILE 191 CO -0.02 0.30 0.32 -0.08 0.00 0.00 0.00 178.15 178.68 2jfz h GLU 192 N 0.04 0.63 -0.94 2.37 4.81 -0.64 -2.24 114.58 118.62 2jfz h GLU 192 Ca 0.04 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2jfz h GLU 192 Cb 0.48 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 2jfz h GLU 192 CO 0.02 0.42 0.62 0.78 -0.73 0.00 0.00 179.01 180.11 2jfz h GLY 193 N 0.65 1.33 0.96 1.92 0.00 -0.40 -1.39 103.07 106.13 2jfz h GLY 193 Ca 0.19 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2jfz h GLY 193 CO -0.06 0.45 0.04 -1.82 0.00 0.00 0.00 176.54 175.15 2jfz h TYR 194 N 1.24 0.10 -0.33 5.60 3.20 -0.48 -1.11 116.97 125.18 2jfz h TYR 194 Ca 0.35 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.15 2jfz h TYR 194 Cb -0.09 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2jfz h TYR 194 CO -0.00 0.11 -0.10 0.74 -1.64 0.00 0.00 178.16 177.27 2jfz h PHE 195 N 0.05 0.61 0.00 -3.82 -1.00 -1.16 0.12 116.94 111.74 2jfz h PHE 195 Ca 0.03 -0.09 -0.11 0.00 2.81 0.00 0.00 57.97 60.60 2jfz h PHE 195 Cb 0.04 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.42 2jfz h PHE 195 CO -0.06 0.65 -0.53 0.52 -1.61 0.00 0.00 178.31 177.29 2jfz h MET 196 N 0.52 0.00 0.00 1.51 2.86 -1.03 -1.58 114.93 117.21 2jfz h MET 196 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2jfz h MET 196 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 2jfz h MET 196 CO 0.03 0.53 -1.11 0.41 1.06 0.00 0.00 176.91 177.83 2jfz n GLY 197 N 0.12 -1.09 0.13 8.32 0.00 -0.44 -4.37 105.19 107.86 2jfz n GLY 197 Ca -0.01 -0.50 0.02 0.00 0.00 0.00 0.00 46.02 45.53 2jfz n GLY 197 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jfz n HIS 198 N -1.77 0.00 -4.21 1.61 -0.00 0.39 -5.02 115.22 106.22 2jfz n HIS 198 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.62 2jfz n HIS 198 Cb 0.40 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.29 2jfz n HIS 198 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2jfz s PHE 199 N -0.53 1.08 -0.74 4.41 0.40 -0.60 -5.02 117.98 116.98 2jfz s PHE 199 Ca 0.04 -0.87 -0.04 0.00 -0.60 0.00 0.00 56.93 55.47 2jfz s PHE 199 Cb 0.03 -0.59 0.13 0.00 0.51 0.00 0.00 43.02 43.10 2jfz s PHE 199 CO 0.07 -0.07 2.53 0.00 0.70 0.00 0.00 175.22 178.45 2jfz n ALA 200 N -0.13 6.53 -2.70 5.36 0.00 -1.26 -4.66 120.51 123.64 2jfz n ALA 200 Ca -0.11 -3.53 -0.42 0.00 0.00 0.00 0.00 53.44 49.38 2jfz n ALA 200 Cb 0.61 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 2jfz n ALA 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jfz s LEU 201 N -2.57 4.37 0.37 0.00 1.43 -1.26 -4.94 118.68 116.08 2jfz s LEU 201 Ca 0.56 1.65 0.12 0.00 -1.03 0.00 0.00 54.13 55.42 2jfz s LEU 201 Cb 0.33 -3.55 0.71 0.00 0.03 0.00 0.00 46.19 43.71 2jfz s LEU 201 CO -0.22 -0.25 1.83 1.55 0.23 0.00 0.00 176.35 179.49 2jfz h PRO 202 N 6.78 0.05 -2.96 1.29 0.13 -1.99 -3.45 132.00 131.85 2jfz h PRO 202 Ca -0.41 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 2jfz h PRO 202 Cb 1.22 -0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.15 2jfz h PRO 202 CO 0.75 0.39 -0.24 0.95 -0.23 0.00 0.00 178.00 179.62 2jfz s THR 203 N -4.26 0.05 0.32 1.56 -4.23 -1.26 -5.14 115.64 102.68 2jfz s THR 203 Ca -0.03 -0.44 -0.28 0.00 -1.18 0.00 0.00 61.69 59.75 2jfz s THR 203 Cb 0.14 -0.65 -0.13 0.00 1.34 0.00 0.00 72.50 73.20 2jfz s THR 203 CO 0.73 -0.24 1.24 -2.65 -0.54 0.00 0.00 174.62 173.16 2jfz n PRO 204 N 1.22 1.95 -1.38 3.99 -0.02 -1.26 -4.95 135.00 134.55 2jfz n PRO 204 Ca -0.21 0.68 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 2jfz n PRO 204 Cb 0.56 -2.23 0.08 0.00 -0.02 0.00 0.00 33.50 31.89 2jfz n PRO 204 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2jfz s PRO 205 N -1.67 2.48 -0.10 0.52 0.04 -1.26 -4.98 135.00 130.03 2jfz s PRO 205 Ca 0.57 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2jfz s PRO 205 Cb -0.61 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 2jfz s PRO 205 CO 0.61 -1.47 1.13 -1.17 0.04 0.00 0.00 177.00 176.14 2jfz s LEU 206 N -5.75 4.24 -0.20 -3.56 2.96 0.26 -4.86 118.68 111.78 2jfz s LEU 206 Ca 0.61 1.66 -0.13 0.00 -0.22 0.00 0.00 54.13 56.05 2jfz s LEU 206 Cb -0.16 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 2jfz s LEU 206 CO 0.55 -0.57 0.24 -0.76 -1.32 0.00 0.00 176.35 174.49 2jfz s LEU 207 N 2.41 4.19 -0.30 -0.68 1.02 -1.26 -0.06 118.68 124.00 2jfz s LEU 207 Ca 0.52 0.35 -0.13 0.00 0.02 0.00 0.00 54.13 54.90 2jfz s LEU 207 Cb -0.21 -2.27 -0.04 0.00 0.02 0.00 0.00 46.19 43.69 2jfz s LEU 207 CO 0.18 0.08 0.25 -0.63 0.02 0.00 0.00 176.35 176.25 2jfz s ILE 208 N 0.74 5.26 -0.26 -0.59 -1.09 0.29 -4.96 121.20 120.60 2jfz s ILE 208 Ca 0.13 0.15 -0.13 0.00 -2.23 0.00 0.00 60.65 58.57 2jfz s ILE 208 Cb -0.13 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2jfz s ILE 208 CO 0.03 0.14 0.28 -2.28 -1.23 0.00 0.00 174.94 171.88 2jfz s HIS 209 N 1.84 3.26 0.33 3.97 5.65 -1.26 -1.55 115.29 127.52 2jfz s HIS 209 Ca 0.09 0.30 0.05 0.00 0.25 0.00 0.00 55.06 55.75 2jfz s HIS 209 Cb -0.16 -2.45 0.69 0.00 -1.18 0.00 0.00 32.58 29.48 2jfz s HIS 209 CO 0.11 -0.13 1.87 0.77 -0.65 0.00 0.00 174.74 176.70 2jfz h SER 210 N 8.05 0.77 0.04 9.88 0.02 -1.90 -1.31 113.55 129.10 2jfz h SER 210 Ca -0.34 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2jfz h SER 210 Cb 1.17 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2jfz h SER 210 CO 0.62 0.42 -0.02 1.23 -1.14 0.00 0.00 176.83 177.94 2jfz h GLY 211 N 0.83 -0.06 1.18 -3.77 0.00 -1.89 -1.60 103.07 97.77 2jfz h GLY 211 Ca 0.45 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2jfz h GLY 211 CO -0.22 -0.02 0.51 -0.55 0.00 0.00 0.00 176.54 176.27 2jfz h ASP 212 N -0.47 0.96 -0.22 0.19 3.32 -1.85 -1.63 116.42 116.72 2jfz h ASP 212 Ca -0.01 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 2jfz h ASP 212 Cb 0.42 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2jfz h ASP 212 CO 0.01 0.72 0.09 0.00 -1.72 0.00 0.00 179.24 178.34 2jfz h ALA 213 N 1.45 0.28 -0.19 3.45 0.00 -1.19 -1.87 119.26 121.19 2jfz h ALA 213 Ca 0.30 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2jfz h ALA 213 Cb -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2jfz h ALA 213 CO -0.06 -0.13 -0.23 0.97 0.00 0.00 0.00 179.25 179.80 2jfz h ILE 214 N 0.20 1.24 -0.14 0.00 2.10 -0.97 -1.79 117.51 118.16 2jfz h ILE 214 Ca 0.07 -1.14 0.00 0.00 1.08 0.00 0.00 64.86 64.88 2jfz h ILE 214 Cb 0.16 1.36 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 2jfz h ILE 214 CO -0.01 0.35 0.09 0.58 -1.08 0.00 0.00 178.15 178.08 2jfz h VAL 215 N 0.31 1.03 -0.28 2.19 2.07 -1.02 0.93 116.25 121.47 2jfz h VAL 215 Ca 0.05 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2jfz h VAL 215 Cb 0.58 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2jfz h VAL 215 CO 0.04 0.03 -0.04 -0.33 0.02 0.00 0.00 177.57 177.30 2jfz h GLU 216 N 0.18 0.04 0.19 1.57 5.08 -0.93 -1.22 114.58 119.49 2jfz h GLU 216 Ca 0.05 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jfz h GLU 216 Cb -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jfz h GLU 216 CO -0.02 0.02 -0.13 -0.92 -1.00 0.00 0.00 179.01 176.97 2jfz h TYR 217 N 0.04 -0.33 -0.65 4.33 3.20 -0.92 -2.70 116.97 119.93 2jfz h TYR 217 Ca 0.14 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.07 2jfz h TYR 217 Cb 0.20 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 2jfz h TYR 217 CO -0.25 -0.20 0.35 -0.07 -1.64 0.00 0.00 178.16 176.35 2jfz h LEU 218 N -0.32 0.50 -0.42 2.82 3.38 -0.58 0.18 115.31 120.87 2jfz h LEU 218 Ca -0.01 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2jfz h LEU 218 Cb 0.27 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2jfz h LEU 218 CO 0.01 0.32 0.22 1.56 0.09 0.00 0.00 178.44 180.63 2jfz h GLN 219 N 0.64 0.42 0.20 1.13 4.20 -1.12 -1.51 115.11 119.07 2jfz h GLN 219 Ca 0.30 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 2jfz h GLN 219 Cb 0.22 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2jfz h GLN 219 CO -0.20 0.28 -0.10 0.37 -0.67 0.00 0.00 178.83 178.51 2jfz h GLN 220 N 0.44 -0.26 -0.38 1.46 4.15 -1.12 -0.90 115.11 118.50 2jfz h GLN 220 Ca 0.18 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.68 2jfz h GLN 220 Cb 0.08 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 2jfz h GLN 220 CO -0.12 0.10 0.07 -0.22 -1.93 0.00 0.00 178.83 176.73 2jfz h LYS 221 N -0.93 0.18 -0.66 1.69 1.63 -0.68 -2.85 116.57 114.94 2jfz h LYS 221 Ca -0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2jfz h LYS 221 Cb 0.48 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2jfz h LYS 221 CO 0.05 0.12 0.00 0.66 -3.45 0.00 0.00 179.45 176.83 2jfz n TYR 222 N -5.11 1.34 -3.87 1.91 4.02 -0.57 -4.98 117.16 109.90 2jfz n TYR 222 Ca 0.02 -0.58 -0.39 0.00 -0.01 0.00 0.00 57.90 56.94 2jfz n TYR 222 Cb 0.17 -0.18 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 2jfz n TYR 222 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2jfz n ALA 223 N 1.23 -2.58 -2.80 -0.72 0.00 -0.71 -4.93 120.51 110.00 2jfz n ALA 223 Ca 0.25 -0.41 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 2jfz n ALA 223 Cb 0.82 -3.43 -0.12 0.00 0.00 0.00 0.00 19.45 16.72 2jfz n ALA 223 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2jfz s LEU 224 N -6.95 3.87 -0.15 0.00 1.43 -0.42 -5.00 118.68 111.46 2jfz s LEU 224 Ca 0.49 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 2jfz s LEU 224 Cb -0.22 -2.03 0.43 0.00 0.03 0.00 0.00 46.19 44.41 2jfz s LEU 224 CO 0.91 -0.09 1.25 0.29 0.23 0.00 0.00 176.35 178.95 2jfz n LYS 225 N 5.00 2.87 -3.59 1.70 4.76 -1.26 -4.63 118.16 123.00 2jfz n LYS 225 Ca -0.15 -1.71 -0.23 0.00 -2.87 0.00 0.00 58.31 53.35 2jfz n LYS 225 Cb 0.51 -1.87 0.08 0.00 -1.84 0.00 0.00 35.03 31.91 2jfz n LYS 225 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2jfz n ASN 226 N 0.20 -5.76 -0.32 4.39 4.13 -1.26 -4.93 115.26 111.72 2jfz n ASN 226 Ca 0.19 -0.56 0.08 0.00 1.68 0.00 0.00 54.58 55.97 2jfz n ASN 226 Cb 0.84 -5.01 0.16 0.00 -1.54 0.00 0.00 39.78 34.24 2jfz n ASN 226 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 2jfz n ASN 227 N -3.03 2.01 -4.35 6.41 0.23 -1.12 -4.77 115.26 110.64 2jfz n ASN 227 Ca -0.03 -3.37 -0.29 0.00 -0.53 0.00 0.00 54.58 50.36 2jfz n ASN 227 Cb 0.57 -0.46 0.18 0.00 -2.08 0.00 0.00 39.78 37.99 2jfz n ASN 227 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jfz s ALA 228 N -2.89 1.42 0.26 -2.53 0.00 -0.76 -4.94 121.76 112.32 2jfz s ALA 228 Ca 0.34 -0.77 -0.27 0.00 0.00 0.00 0.00 51.96 51.25 2jfz s ALA 228 Cb 0.31 -2.94 -0.16 0.00 0.00 0.00 0.00 23.12 20.33 2jfz s ALA 228 CO -0.01 -2.77 0.62 0.00 0.00 0.00 0.00 175.76 173.59 2jfz h THR 230 N 1.19 1.33 -2.94 0.00 1.35 -1.95 -3.37 112.91 108.52 2jfz h THR 230 Ca -0.33 -2.00 -0.61 0.00 -0.55 0.00 0.00 66.41 62.92 2jfz h THR 230 Cb 1.41 2.23 -0.41 0.00 -1.73 0.00 0.00 68.15 69.65 2jfz h THR 230 CO 0.57 0.61 -0.69 -0.36 -0.25 0.00 0.00 175.52 175.40 2jfz s PHE 231 N -3.55 2.78 0.62 4.73 0.40 -1.26 -5.09 117.98 116.62 2jfz s PHE 231 Ca -0.11 -2.98 -0.18 0.00 -0.60 0.00 0.00 56.93 53.05 2jfz s PHE 231 Cb 0.06 -2.22 -0.02 0.00 0.51 0.00 0.00 43.02 41.35 2jfz s PHE 231 CO 0.87 -0.66 1.23 -1.25 0.70 0.00 0.00 175.22 176.12 2jfz s PRO 232 N -0.77 2.77 -0.20 0.24 0.04 -1.26 -5.03 135.00 130.79 2jfz s PRO 232 Ca 0.25 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 62.95 2jfz s PRO 232 Cb -0.07 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2jfz s PRO 232 CO -0.13 -1.38 0.69 0.15 0.04 0.00 0.00 177.00 176.37 2jfz s LYS 233 N -3.41 4.23 -0.07 4.56 1.02 -0.94 -4.98 119.74 120.14 2jfz s LYS 233 Ca 0.78 0.72 0.02 0.00 0.02 0.00 0.00 55.97 57.52 2jfz s LYS 233 Cb -0.32 -3.58 0.01 0.00 -0.52 0.00 0.00 37.83 33.42 2jfz s LYS 233 CO 0.36 -0.28 -0.12 0.08 -0.92 0.00 0.00 175.35 174.47 2jfz s VAL 234 N 2.04 1.13 0.05 3.17 1.01 -1.26 -0.89 120.40 125.65 2jfz s VAL 234 Ca 0.31 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2jfz s VAL 234 Cb -0.16 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 2jfz s VAL 234 CO 0.11 0.36 -0.12 -1.61 0.00 0.00 0.00 175.10 173.83 2jfz s GLU 235 N 0.74 2.24 -0.12 2.72 2.02 -0.44 -5.00 118.70 120.86 2jfz s GLU 235 Ca -0.13 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 53.98 2jfz s GLU 235 Cb -0.16 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.76 2jfz s GLU 235 CO 0.03 0.55 -0.23 -0.06 0.02 0.00 0.00 175.26 175.57 2jfz s PHE 236 N -1.04 2.60 0.15 1.61 0.40 -1.26 -0.45 117.98 119.99 2jfz s PHE 236 Ca 0.17 -1.17 0.04 0.00 -0.60 0.00 0.00 56.93 55.38 2jfz s PHE 236 Cb -0.11 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.63 2jfz s PHE 236 CO 0.09 -0.50 -0.10 -1.01 0.70 0.00 0.00 175.22 174.40 2jfz s HIS 237 N 0.53 1.26 0.09 0.36 3.76 0.46 -4.93 115.29 116.83 2jfz s HIS 237 Ca -0.14 -0.77 -0.26 0.00 -0.15 0.00 0.00 55.06 53.73 2jfz s HIS 237 Cb -0.17 -0.65 0.08 0.00 1.11 0.00 0.00 32.58 32.95 2jfz s HIS 237 CO 0.05 0.07 0.84 0.00 -0.85 0.00 0.00 174.74 174.85 2jfz s ALA 238 N -3.34 -1.69 -1.14 -1.40 0.00 -1.26 -1.12 121.76 111.80 2jfz s ALA 238 Ca 0.17 0.58 0.28 0.00 0.00 0.00 0.00 51.96 52.99 2jfz s ALA 238 Cb 0.03 0.59 1.05 0.00 0.00 0.00 0.00 23.12 24.79 2jfz s ALA 238 CO 0.01 -0.82 1.78 -1.13 0.00 0.00 0.00 175.76 175.59 2jfz n SER 239 N -0.35 0.23 -3.70 0.00 3.41 -0.87 -4.83 113.62 107.50 2jfz n SER 239 Ca -0.09 0.06 -0.03 0.00 -0.26 0.00 0.00 58.87 58.55 2jfz n SER 239 Cb 0.62 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2jfz n SER 239 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2jfz s GLY 240 N -2.88 -0.29 -1.65 5.00 0.00 -1.26 -4.48 107.32 101.76 2jfz s GLY 240 Ca 0.17 0.35 -0.12 0.00 0.00 0.00 0.00 44.72 45.12 2jfz s GLY 240 CO 0.56 0.07 0.52 1.22 0.00 0.00 0.00 173.10 175.47 2jfz n ASP 241 N -0.45 -1.55 -0.04 1.64 8.00 -1.26 -4.60 116.55 118.29 2jfz n ASP 241 Ca -0.07 -1.11 -0.16 0.00 0.71 0.00 0.00 54.79 54.16 2jfz n ASP 241 Cb 0.61 -2.36 -0.07 0.00 -0.02 0.00 0.00 41.12 39.28 2jfz n ASP 241 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2jfz h VAL 242 N -1.50 1.32 -0.56 2.53 2.07 -1.94 0.17 116.25 118.35 2jfz h VAL 242 Ca -0.61 -1.82 0.03 0.00 0.82 0.00 0.00 66.70 65.11 2jfz h VAL 242 Cb 1.39 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 33.14 2jfz h VAL 242 CO 0.76 0.57 0.33 0.40 0.02 0.00 0.00 177.57 179.65 2jfz h ILE 243 N 0.33 1.05 -0.26 4.57 2.04 -1.98 0.14 117.51 123.39 2jfz h ILE 243 Ca -0.03 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2jfz h ILE 243 Cb 1.20 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2jfz h ILE 243 CO 0.12 0.12 0.12 -0.25 0.00 0.00 0.00 178.15 178.26 2jfz h TRP 244 N 0.65 0.39 -0.65 1.37 7.01 -1.91 -2.35 115.95 120.45 2jfz h TRP 244 Ca 0.23 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.27 2jfz h TRP 244 Cb 0.04 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 26.93 2jfz h TRP 244 CO -0.07 0.38 0.34 1.25 -2.79 0.00 0.00 178.44 177.56 2jfz h LEU 245 N 0.29 0.49 -1.00 0.65 5.85 -0.29 -0.38 115.31 120.92 2jfz h LEU 245 Ca 0.09 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 2jfz h LEU 245 Cb 0.14 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2jfz h LEU 245 CO -0.01 0.31 0.51 -0.33 -0.34 0.00 0.00 178.44 178.58 2jfz h GLU 246 N 0.63 1.20 -0.26 1.25 5.08 -0.79 -0.85 114.58 120.83 2jfz h GLU 246 Ca 0.30 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2jfz h GLU 246 Cb 0.23 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jfz h GLU 246 CO -0.20 0.86 0.10 -0.09 -1.00 0.00 0.00 179.01 178.67 2jfz h ARG 247 N 1.21 0.40 -0.92 2.33 2.43 -0.79 -1.88 114.38 117.17 2jfz h ARG 247 Ca 0.31 -0.08 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 2jfz h ARG 247 Cb -0.02 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.41 2jfz h ARG 247 CO -0.06 0.44 0.60 1.96 -1.51 0.00 0.00 179.97 181.41 2jfz h GLN 248 N 0.27 1.07 -0.30 0.20 1.08 -0.52 0.63 115.11 117.54 2jfz h GLN 248 Ca 0.09 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2jfz h GLN 248 Cb 0.20 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2jfz h GLN 248 CO -0.01 0.71 0.14 0.00 -0.95 0.00 0.00 178.83 178.72 2jfz h ALA 249 N 1.48 0.39 -0.53 3.87 0.00 -0.79 0.16 119.26 123.84 2jfz h ALA 249 Ca 0.38 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 2jfz h ALA 249 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jfz h ALA 249 CO -0.13 -0.04 0.02 0.87 0.00 0.00 0.00 179.25 179.97 2jfz h LYS 250 N 0.35 0.92 -0.30 0.00 1.57 -0.73 0.14 116.57 118.52 2jfz h LYS 250 Ca 0.10 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2jfz h LYS 250 Cb 0.14 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2jfz h LYS 250 CO -0.01 0.93 -0.04 0.93 -0.57 0.00 0.00 179.45 180.69 2jfz h GLU 251 N 0.80 0.55 0.00 3.15 4.39 -0.74 -2.82 114.58 119.92 2jfz h GLU 251 Ca 0.15 -0.20 -0.21 0.00 0.34 0.00 0.00 59.36 59.44 2jfz h GLU 251 Cb 0.50 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.07 2jfz h GLU 251 CO 0.02 0.73 -2.07 0.91 -1.16 0.00 0.00 179.01 177.45 2jfz n TRP 252 N -4.52 0.00 0.61 4.33 7.02 0.03 -4.55 117.44 120.36 2jfz n TRP 252 Ca -0.03 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.52 2jfz n TRP 252 Cb 0.29 -0.71 0.01 0.00 -2.42 0.00 0.00 31.31 28.49 2jfz n TRP 252 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2jfz n LEU 253 N -2.48 1.63 -2.90 -0.99 4.77 0.41 -4.98 117.00 112.46 2jfz n LEU 253 Ca -0.20 -0.82 -0.22 0.00 -0.03 0.00 0.00 56.01 54.74 2jfz n LEU 253 Cb 0.88 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.99 2jfz n LEU 253 CO 0.37 0.31 -0.07 1.17 -1.33 0.00 0.00 177.39 177.84 2jfz n LYS 254 N 0.05 -3.96 0.00 3.23 4.81 -0.75 -4.95 118.16 116.59 2jfz n LYS 254 Ca 0.06 0.87 0.04 0.00 -0.87 0.00 0.00 58.31 58.41 2jfz n LYS 254 Cb 0.30 -5.67 0.03 0.00 0.02 0.00 0.00 35.03 29.72 2jfz n LYS 254 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85