#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 3.44 0.32 2.12 2.20 -1.26 -2.71 119.74 123.85 2jfz s LYS 2 Ca 0.00 -0.60 0.05 0.00 -0.36 0.00 0.00 55.97 55.06 2jfz s LYS 2 Cb 0.00 -3.15 -0.06 0.00 -1.51 0.00 0.00 37.83 33.11 2jfz s LYS 2 CO 0.00 -0.22 0.01 0.96 -0.36 0.00 0.00 175.35 175.74 2jfz s ILE 3 N 1.53 1.46 0.14 5.43 -4.36 -0.84 0.06 121.20 124.61 2jfz s ILE 3 Ca 0.06 -2.04 0.09 0.00 -0.26 0.00 0.00 60.65 58.49 2jfz s ILE 3 Cb -0.15 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.83 2jfz s ILE 3 CO -0.00 -0.11 -0.16 -0.83 0.24 0.00 0.00 174.94 174.08 2jfz s GLY 4 N -3.50 1.72 -0.09 6.27 0.00 -0.36 -1.15 107.32 110.21 2jfz s GLY 4 Ca 0.34 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.67 2jfz s GLY 4 CO 0.14 -1.38 -0.08 0.14 0.00 0.00 0.00 173.10 171.92 2jfz s VAL 5 N -1.33 0.97 -0.05 1.40 1.01 0.30 -0.38 120.40 122.33 2jfz s VAL 5 Ca 0.20 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2jfz s VAL 5 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2jfz s VAL 5 CO 0.12 0.34 -0.19 0.12 0.00 0.00 0.00 175.10 175.49 2jfz s PHE 6 N 1.30 2.58 0.16 5.22 5.36 0.14 -0.89 117.98 131.85 2jfz s PHE 6 Ca -0.03 -0.34 -0.15 0.00 -0.96 0.00 0.00 56.93 55.45 2jfz s PHE 6 Cb -0.14 -1.61 0.02 0.00 -0.34 0.00 0.00 43.02 40.96 2jfz s PHE 6 CO -0.03 0.05 0.42 0.34 -1.46 0.00 0.00 175.22 174.53 2jfz s ASP 7 N -0.55 -0.17 0.41 6.13 2.15 -0.72 -0.44 116.67 123.48 2jfz s ASP 7 Ca 0.08 -0.51 0.29 0.00 0.43 0.00 0.00 52.55 52.83 2jfz s ASP 7 Cb -0.11 0.50 1.22 0.00 -0.30 0.00 0.00 42.92 44.23 2jfz s ASP 7 CO 0.01 -0.94 1.86 0.77 -0.17 0.00 0.00 175.17 176.70 2jfz h SER 8 N 2.35 0.00 0.00 -0.34 4.64 -1.88 -0.73 113.55 117.59 2jfz h SER 8 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 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 0.44 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.01 2jfz n GLY 9 N -0.09 1.59 0.16 -0.77 0.00 -1.26 -1.54 105.19 103.28 2jfz n GLY 9 Ca 0.01 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.29 2jfz n GLY 9 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jfz h VAL 10 N 0.00 0.00 -0.95 1.61 3.04 -1.93 -3.34 116.25 114.69 2jfz h VAL 10 Ca 0.00 -0.76 0.21 0.00 -1.01 0.00 0.00 66.70 65.13 2jfz h VAL 10 Cb 0.00 1.71 -0.08 0.00 -2.01 0.00 0.00 31.29 30.91 2jfz h VAL 10 CO 0.00 0.00 0.61 1.23 -1.01 0.00 0.00 177.57 178.40 2jfz h GLY 11 N 4.24 1.11 1.60 3.17 0.00 -1.94 -0.61 103.07 110.64 2jfz h GLY 11 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2jfz h GLY 11 CO 0.00 -0.03 0.07 0.61 0.00 0.00 0.00 176.54 177.19 2jfz n GLY 12 N -1.47 -0.37 0.30 4.60 0.00 -1.25 -1.85 105.19 105.14 2jfz n GLY 12 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 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 0.28 0.00 1.61 0.05 -1.40 -0.18 116.94 117.30 2jfz h PHE 13 Ca 0.00 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 2jfz h PHE 13 Cb 0.13 -0.09 -0.00 0.00 2.00 0.00 0.00 35.95 37.99 2jfz h PHE 13 CO 0.00 0.16 -0.02 0.66 -0.18 0.00 0.00 178.31 178.93 2jfz h SER 14 N 0.29 0.00 0.11 2.17 4.64 -1.61 0.55 113.55 119.70 2jfz h SER 14 Ca 0.13 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.12 2jfz h SER 14 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2jfz h SER 14 CO -0.03 0.02 -1.75 0.58 -0.87 0.00 0.00 176.83 174.78 2jfz h VAL 15 N 0.00 0.78 -0.78 0.95 2.07 -1.35 -3.34 116.25 114.59 2jfz h VAL 15 Ca -0.00 -2.35 0.05 0.00 0.82 0.00 0.00 66.70 65.22 2jfz h VAL 15 Cb 0.04 2.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 2jfz h VAL 15 CO 0.00 0.77 0.51 0.25 0.02 0.00 0.00 177.57 179.13 2jfz h LEU 16 N -0.15 0.76 -0.40 2.57 5.85 -0.69 -1.52 115.31 121.73 2jfz h LEU 16 Ca -0.38 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2jfz h LEU 16 Cb 1.89 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 2jfz h LEU 16 CO 0.05 0.51 0.25 0.50 -0.34 0.00 0.00 178.44 179.40 2jfz h LYS 17 N 0.88 0.48 -0.44 1.25 3.64 -1.05 0.78 116.57 122.12 2jfz h LYS 17 Ca 0.32 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 2jfz h LYS 17 Cb 0.17 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2jfz h LYS 17 CO -0.11 0.32 0.24 0.77 -2.27 0.00 0.00 179.45 178.41 2jfz h SER 18 N 0.50 0.55 -0.25 4.20 0.02 -1.43 -1.18 113.55 115.96 2jfz h SER 18 Ca 0.16 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2jfz h SER 18 Cb -0.01 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2jfz h SER 18 CO -0.06 0.48 0.14 -0.07 -1.14 0.00 0.00 176.83 176.17 2jfz h LEU 19 N 0.58 0.21 -0.52 5.07 3.38 -0.87 -1.86 115.31 121.30 2jfz h LEU 19 Ca 0.16 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2jfz h LEU 19 Cb 0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2jfz h LEU 19 CO -0.03 0.16 0.32 -0.07 0.09 0.00 0.00 178.44 178.92 2jfz h LEU 20 N 0.29 0.54 -1.01 1.67 3.38 -0.61 -2.41 115.31 117.15 2jfz h LEU 20 Ca 0.10 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2jfz h LEU 20 Cb 0.01 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 2jfz h LEU 20 CO -0.06 0.38 0.49 0.11 0.09 0.00 0.00 178.44 179.45 2jfz h LYS 21 N 0.65 1.17 0.00 1.13 1.57 -0.96 -1.56 116.57 118.57 2jfz h LYS 21 Ca 0.20 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2jfz h LYS 21 Cb -0.02 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.05 2jfz h LYS 21 CO -0.07 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.65 2jfz n ALA 22 N -2.41 2.07 -4.02 3.86 0.00 -0.72 -4.91 120.51 114.37 2jfz n ALA 22 Ca 0.09 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2jfz n ALA 22 Cb 0.08 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 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 -1.38 -1.98 0.02 0.00 1.74 -0.59 -4.89 116.66 109.58 2jfz n ARG 23 Ca 0.08 0.29 -0.17 0.00 -0.77 0.00 0.00 57.85 57.28 2jfz n ARG 23 Cb 0.21 -3.96 -0.14 0.00 -1.02 0.00 0.00 32.46 27.55 2jfz n ARG 23 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2jfz h LEU 24 N -1.94 0.31 -8.80 0.55 3.38 -1.84 -3.45 115.31 103.53 2jfz h LEU 24 Ca -0.65 -0.58 -0.69 0.00 0.09 0.00 0.00 57.88 56.04 2jfz h LEU 24 Cb 1.38 -0.10 -0.26 0.00 0.09 0.00 0.00 40.66 41.78 2jfz h LEU 24 CO 0.61 1.51 -0.83 -0.36 0.09 0.00 0.00 178.44 179.46 2jfz s PHE 25 N -2.59 2.50 0.26 1.13 0.40 -1.26 -4.66 117.98 113.76 2jfz s PHE 25 Ca -0.13 -0.30 0.11 0.00 -0.60 0.00 0.00 56.93 56.01 2jfz s PHE 25 Cb 0.07 -1.52 0.40 0.00 0.51 0.00 0.00 43.02 42.48 2jfz s PHE 25 CO 0.81 0.12 1.63 -0.44 0.70 0.00 0.00 175.22 178.04 2jfz h ASP 26 N 5.15 0.00 -3.74 1.36 3.32 -1.88 -3.45 116.42 117.17 2jfz h ASP 26 Ca -0.46 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.43 2jfz h ASP 26 Cb 1.14 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.43 2jfz h ASP 26 CO 0.48 0.59 -0.43 -0.70 -1.72 0.00 0.00 179.24 177.45 2jfz s GLU 27 N -3.62 0.28 -0.04 3.56 2.12 -1.16 -1.63 118.70 118.21 2jfz s GLU 27 Ca -0.01 0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.72 2jfz s GLU 27 Cb 0.12 0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.63 2jfz s GLU 27 CO 0.75 -0.06 -0.08 0.42 -0.54 0.00 0.00 175.26 175.76 2jfz s ILE 28 N 0.32 0.76 -0.37 -3.70 1.01 0.75 -1.98 121.20 117.99 2jfz s ILE 28 Ca -0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 2jfz s ILE 28 Cb -0.03 -0.72 0.07 0.00 0.01 0.00 0.00 42.46 41.79 2jfz s ILE 28 CO -0.01 0.26 0.14 -0.63 0.00 0.00 0.00 174.94 174.70 2jfz s ILE 29 N 0.59 3.58 -0.18 2.92 -1.09 -0.30 -1.61 121.20 125.11 2jfz s ILE 29 Ca -0.10 -1.49 -0.13 0.00 -2.23 0.00 0.00 60.65 56.70 2jfz s ILE 29 Cb -0.13 -3.18 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 2jfz s ILE 29 CO 0.01 -0.37 0.26 -0.47 -1.23 0.00 0.00 174.94 173.14 2jfz s TYR 30 N 1.31 3.43 -0.10 3.97 5.04 -0.30 -0.54 117.35 130.16 2jfz s TYR 30 Ca 0.01 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 2jfz s TYR 30 Cb -0.21 -2.31 0.02 0.00 0.35 0.00 0.00 41.96 39.81 2jfz s TYR 30 CO -0.00 0.22 -0.07 -0.47 -1.34 0.00 0.00 175.55 173.89 2jfz s TYR 31 N 0.54 1.34 -0.18 4.97 5.04 -0.07 -0.81 117.35 128.18 2jfz s TYR 31 Ca 0.14 -0.61 -0.01 0.00 -2.44 0.00 0.00 57.07 54.16 2jfz s TYR 31 Cb -0.13 -1.12 0.00 0.00 0.35 0.00 0.00 41.96 41.06 2jfz s TYR 31 CO 0.03 -0.43 -0.13 0.20 -1.34 0.00 0.00 175.55 173.88 2jfz s GLY 32 N 1.51 1.50 -0.79 8.97 0.00 -0.53 -1.75 107.32 116.24 2jfz s GLY 32 Ca 0.01 -1.13 -0.08 0.00 0.00 0.00 0.00 44.72 43.52 2jfz s GLY 32 CO -0.05 0.22 3.29 1.34 0.00 0.00 0.00 173.10 177.89 2jfz n ASP 33 N 4.43 6.95 0.01 1.64 2.03 -0.28 -2.34 116.55 128.99 2jfz n ASP 33 Ca -0.19 -2.54 0.01 0.00 0.52 0.00 0.00 54.79 52.58 2jfz n ASP 33 Cb 0.51 -1.48 0.03 0.00 -0.72 0.00 0.00 41.12 39.46 2jfz n ASP 33 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2jfz n SER 34 N 2.96 0.03 0.19 1.67 3.41 -0.59 -1.27 113.62 120.02 2jfz n SER 34 Ca 0.60 0.49 0.08 0.00 -0.26 0.00 0.00 58.87 59.78 2jfz n SER 34 Cb 0.58 -0.49 0.21 0.00 -0.26 0.00 0.00 64.21 64.25 2jfz n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jfz h ALA 35 N 1.90 0.87 -0.00 7.33 0.00 -1.82 -3.35 119.26 124.18 2jfz h ALA 35 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jfz h ALA 35 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jfz h ALA 35 CO 0.00 0.33 -0.07 0.54 0.00 0.00 0.00 179.25 180.05 2jfz n ARG 36 N -3.22 2.28 -1.74 0.00 1.74 -0.40 -4.98 116.66 110.34 2jfz n ARG 36 Ca 0.02 -0.42 -0.39 0.00 -0.77 0.00 0.00 57.85 56.29 2jfz n ARG 36 Cb 0.58 -0.90 0.03 0.00 -1.02 0.00 0.00 32.46 31.16 2jfz n ARG 36 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2jfz n VAL 37 N -0.34 3.34 -2.47 1.55 3.14 -1.12 -4.45 118.33 117.98 2jfz n VAL 37 Ca 0.02 -0.50 -0.28 0.00 -2.96 0.00 0.00 64.34 60.61 2jfz n VAL 37 Cb 0.08 -1.71 -0.00 0.00 -1.06 0.00 0.00 33.84 31.15 2jfz n VAL 37 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2jfz s PRO 38 N -2.66 3.57 -0.16 1.45 0.04 -1.26 -5.05 135.00 130.93 2jfz s PRO 38 Ca 0.67 0.35 0.04 0.00 0.04 0.00 0.00 61.00 62.11 2jfz s PRO 38 Cb -0.44 -2.30 -0.23 0.00 0.04 0.00 0.00 34.50 31.57 2jfz s PRO 38 CO 0.53 -0.28 0.19 0.66 0.04 0.00 0.00 177.00 178.14 2jfz n TYR 39 N -2.31 0.60 0.23 0.56 4.02 -1.26 -4.48 117.16 114.52 2jfz n TYR 39 Ca 0.02 0.16 0.12 0.00 -0.01 0.00 0.00 57.90 58.19 2jfz n TYR 39 Cb 0.55 -1.09 0.65 0.00 -0.02 0.00 0.00 39.34 39.43 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 2.41 0.00 -2.02 2.72 0.00 -1.96 -1.28 103.07 102.93 2jfz h GLY 40 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2jfz h GLY 40 CO 0.02 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.26 2jfz n THR 41 N -2.46 0.20 -4.03 4.70 -2.24 -1.26 -1.50 114.28 107.69 2jfz n THR 41 Ca -0.02 -0.59 -0.23 0.00 -2.27 0.00 0.00 64.05 60.95 2jfz n THR 41 Cb 0.23 1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 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 -1.80 2.42 0.57 -0.78 1.02 -0.48 -5.00 119.74 115.69 2jfz s LYS 42 Ca 0.33 -1.53 -0.18 0.00 0.02 0.00 0.00 55.97 54.61 2jfz s LYS 42 Cb 0.21 -2.22 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 2jfz s LYS 42 CO 0.31 0.08 1.09 0.34 -0.92 0.00 0.00 175.35 176.24 2jfz s ASP 43 N -3.89 5.71 0.26 2.83 -1.08 -1.26 -4.78 116.67 114.46 2jfz s ASP 43 Ca 0.39 2.00 -0.02 0.00 -0.52 0.00 0.00 52.55 54.40 2jfz s ASP 43 Cb -0.03 -2.56 0.52 0.00 -1.46 0.00 0.00 42.92 39.40 2jfz s ASP 43 CO 0.23 -1.22 1.72 -0.65 0.52 0.00 0.00 175.17 175.78 2jfz h PRO 44 N 0.80 0.42 -0.38 4.34 0.11 -1.97 -1.85 132.00 133.47 2jfz h PRO 44 Ca -0.48 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jfz h PRO 44 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2jfz h PRO 44 CO 0.57 0.28 0.23 0.00 -0.21 0.00 0.00 178.00 178.86 2jfz h THR 45 N 0.43 1.11 -0.15 -1.15 1.03 -1.98 -0.19 112.91 112.02 2jfz h THR 45 Ca 0.45 -0.26 -0.17 0.00 -0.01 0.00 0.00 66.41 66.42 2jfz h THR 45 Cb 0.73 0.58 0.01 0.00 -1.07 0.00 0.00 68.15 68.40 2jfz h THR 45 CO -0.44 0.12 -0.58 0.74 -0.01 0.00 0.00 175.52 175.35 2jfz h THR 46 N 0.52 1.32 -0.48 0.00 2.02 -1.73 -2.99 112.91 111.58 2jfz h THR 46 Ca 0.14 -1.83 -0.08 0.00 0.77 0.00 0.00 66.41 65.40 2jfz h THR 46 Cb -0.01 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 2jfz h THR 46 CO -0.03 0.57 -0.03 0.40 0.37 0.00 0.00 175.52 176.80 2jfz h ILE 47 N 0.34 1.27 -0.51 3.11 2.04 -1.02 -1.53 117.51 121.20 2jfz h ILE 47 Ca -0.03 -1.12 0.01 0.00 1.00 0.00 0.00 64.86 64.72 2jfz h ILE 47 Cb 1.21 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2jfz h ILE 47 CO 0.12 0.39 0.33 0.11 0.00 0.00 0.00 178.15 179.11 2jfz h LYS 48 N 0.72 0.66 -0.81 2.37 1.57 -1.09 -1.07 116.57 118.92 2jfz h LYS 48 Ca 0.13 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2jfz h LYS 48 Cb 0.55 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2jfz h LYS 48 CO 0.03 0.44 0.35 0.37 -0.57 0.00 0.00 179.45 180.07 2jfz h GLN 49 N 0.68 1.19 -0.73 3.15 5.75 -1.39 -1.68 115.11 122.07 2jfz h GLN 49 Ca 0.19 -0.20 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2jfz h GLN 49 Cb -0.06 -0.20 -0.07 0.00 1.07 0.00 0.00 27.48 28.22 2jfz h GLN 49 CO -0.05 0.94 0.40 0.74 -2.65 0.00 0.00 178.83 178.21 2jfz h PHE 50 N 1.16 0.72 -0.50 3.99 0.04 -0.55 -1.41 116.94 120.39 2jfz h PHE 50 Ca 0.27 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.06 2jfz h PHE 50 Cb 0.17 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 2jfz h PHE 50 CO 0.02 0.30 0.26 0.78 -0.60 0.00 0.00 178.31 179.06 2jfz h GLY 51 N 0.69 0.76 0.96 -1.45 0.00 -0.35 -1.39 103.07 102.30 2jfz h GLY 51 Ca 0.35 -0.36 0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jfz h GLY 51 CO -0.23 0.35 0.27 1.41 0.00 0.00 0.00 176.54 178.33 2jfz h LEU 52 N 0.67 0.45 -1.63 3.11 4.07 -0.79 -1.98 115.31 119.21 2jfz h LEU 52 Ca 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 2jfz h LEU 52 Cb 0.09 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 2jfz h LEU 52 CO -0.02 0.33 -0.01 -0.33 -1.08 0.00 0.00 178.44 177.32 2jfz h GLU 53 N 0.55 0.22 -0.69 1.13 5.08 -1.05 -1.78 114.58 118.04 2jfz h GLU 53 Ca 0.16 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2jfz h GLU 53 Cb -0.03 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2jfz h GLU 53 CO -0.05 0.25 0.26 0.00 -1.00 0.00 0.00 179.01 178.47 2jfz h ALA 54 N 1.78 1.17 -0.76 3.43 0.00 -0.49 -2.50 119.26 121.90 2jfz h ALA 54 Ca 0.05 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2jfz h ALA 54 Cb 0.17 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 2jfz h ALA 54 CO 0.00 0.59 0.43 -0.07 0.00 0.00 0.00 179.25 180.21 2jfz h LEU 55 N 0.99 0.62 -1.11 0.00 3.38 -1.03 -1.93 115.31 116.23 2jfz h LEU 55 Ca 0.23 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.30 2jfz h LEU 55 Cb 0.21 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 2jfz h LEU 55 CO -0.02 0.38 0.60 0.44 0.09 0.00 0.00 178.44 179.93 2jfz h ASP 56 N 0.75 0.95 -0.80 -0.43 3.32 -1.43 -2.43 116.42 116.35 2jfz h ASP 56 Ca 0.36 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.46 2jfz h ASP 56 Cb 0.28 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 2jfz h ASP 56 CO -0.22 0.61 0.49 0.15 -1.72 0.00 0.00 179.24 178.55 2jfz h PHE 57 N 1.07 0.92 0.00 4.55 3.57 -1.31 -2.82 116.94 122.92 2jfz h PHE 57 Ca 0.40 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.93 2jfz h PHE 57 Cb 0.18 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2jfz h PHE 57 CO -0.00 0.48 0.00 0.74 -2.23 0.00 0.00 178.31 177.30 2jfz h PHE 58 N 0.92 0.00 -0.48 0.41 -1.00 -1.42 -3.38 116.94 111.99 2jfz h PHE 58 Ca 0.34 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.21 2jfz h PHE 58 Cb 0.12 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.58 2jfz h PHE 58 CO -0.04 0.00 -0.32 0.87 -1.61 0.00 0.00 178.31 177.21 2jfz h LYS 59 N 0.00 -0.19 0.00 1.51 1.57 -1.36 -0.50 116.57 117.60 2jfz h LYS 59 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2jfz h LYS 59 Cb 0.75 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2jfz h LYS 59 CO 0.00 -0.13 0.00 -1.00 -0.57 0.00 0.00 179.45 177.75 2jfz h PRO 60 N -0.20 0.00 0.00 3.15 0.13 -1.78 -2.53 132.00 130.76 2jfz h PRO 60 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2jfz h PRO 60 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2jfz h PRO 60 CO -0.59 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 177.90 2jfz n HIS 61 N -2.91 0.66 -3.80 1.56 8.25 -0.20 -4.94 115.22 113.84 2jfz n HIS 61 Ca -0.01 0.20 -0.23 0.00 -0.26 0.00 0.00 57.72 57.42 2jfz n HIS 61 Cb 0.19 -0.83 0.01 0.00 1.12 0.00 0.00 29.99 30.49 2jfz n HIS 61 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2jfz n GLU 62 N -2.04 -4.39 -2.26 -0.41 1.02 -0.95 -4.94 120.64 106.67 2jfz n GLU 62 Ca 0.05 0.55 -0.33 0.00 -0.02 0.00 0.00 57.16 57.41 2jfz n GLU 62 Cb 0.38 -4.98 -0.01 0.00 -0.02 0.00 0.00 31.44 26.81 2jfz n GLU 62 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2jfz s ILE 63 N -3.75 3.89 -0.34 -3.67 -4.36 -1.26 -4.97 121.20 106.75 2jfz s ILE 63 Ca 0.04 0.99 0.23 0.00 -0.26 0.00 0.00 60.65 61.64 2jfz s ILE 63 Cb -0.02 -3.44 -0.04 0.00 1.25 0.00 0.00 42.46 40.20 2jfz s ILE 63 CO 0.84 -0.44 1.03 -0.62 0.24 0.00 0.00 174.94 175.99 2jfz n GLU 64 N -1.62 0.51 -3.55 0.37 1.02 0.11 -4.94 120.64 112.54 2jfz n GLU 64 Ca 0.09 0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 57.12 2jfz n GLU 64 Cb 0.53 -1.74 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 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 -4.87 -0.65 -0.08 -4.62 0.20 -1.25 -4.24 118.68 103.17 2jfz s LEU 65 Ca 0.00 0.87 0.04 0.00 0.69 0.00 0.00 54.13 55.74 2jfz s LEU 65 Cb 0.11 2.49 -0.01 0.00 -0.43 0.00 0.00 46.19 48.36 2jfz s LEU 65 CO 0.79 -0.53 -0.21 -0.22 -0.29 0.00 0.00 176.35 175.90 2jfz s LEU 66 N -0.84 2.28 -0.21 -0.68 2.96 -0.30 -1.22 118.68 120.67 2jfz s LEU 66 Ca -0.09 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 2jfz s LEU 66 Cb -0.01 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.21 2jfz s LEU 66 CO 0.08 0.22 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.70 2jfz s ILE 67 N -0.03 3.85 -0.69 6.68 1.01 0.49 -0.30 121.20 132.22 2jfz s ILE 67 Ca -0.06 -0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.07 2jfz s ILE 67 Cb -0.15 -2.75 0.14 0.00 0.01 0.00 0.00 42.46 39.72 2jfz s ILE 67 CO 0.05 0.42 0.73 -0.69 0.00 0.00 0.00 174.94 175.45 2jfz s VAL 68 N 1.12 5.11 0.33 2.92 1.01 0.06 0.25 120.40 131.19 2jfz s VAL 68 Ca 0.02 -1.58 0.20 0.00 0.00 0.00 0.00 61.98 60.62 2jfz s VAL 68 Cb -0.14 -4.49 0.18 0.00 0.00 0.00 0.00 36.38 31.93 2jfz s VAL 68 CO 0.01 -1.09 1.90 0.00 0.00 0.00 0.00 175.10 175.91 2jfz h ALA 69 N 8.70 1.25 -2.38 5.51 0.00 -1.04 -3.24 119.26 128.06 2jfz h ALA 69 Ca -0.13 -0.24 -0.54 0.00 0.00 0.00 0.00 54.91 53.99 2jfz h ALA 69 Cb 1.07 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jfz h ALA 69 CO 0.99 0.34 0.86 0.00 0.00 0.00 0.00 179.25 181.44 2jfz h ASN 71 N 7.93 0.30 -0.10 0.00 4.21 -1.86 -0.50 115.58 125.57 2jfz h ASN 71 Ca -0.38 -0.15 -0.03 0.00 1.21 0.00 0.00 56.30 56.95 2jfz h ASN 71 Cb 1.18 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 38.29 2jfz h ASN 71 CO 0.91 0.75 -0.07 0.74 -1.29 0.00 0.00 177.43 178.47 2jfz h THR 72 N 0.22 1.34 -0.20 2.81 2.02 -1.91 -0.48 112.91 116.72 2jfz h THR 72 Ca 0.01 -1.17 -0.09 0.00 0.77 0.00 0.00 66.41 65.93 2jfz h THR 72 Cb 0.96 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2jfz h THR 72 CO 0.08 0.33 -0.26 0.00 0.37 0.00 0.00 175.52 176.03 2jfz h ALA 73 N 0.60 1.17 -0.56 6.16 0.00 -1.95 -0.96 119.26 123.73 2jfz h ALA 73 Ca 0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 2jfz h ALA 73 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2jfz h ALA 73 CO 0.02 0.53 0.08 0.77 0.00 0.00 0.00 179.25 180.65 2jfz h SER 74 N 0.34 0.86 0.44 0.00 0.02 -0.98 0.11 113.55 114.35 2jfz h SER 74 Ca 0.05 -0.19 -0.22 0.00 -0.84 0.00 0.00 61.79 60.59 2jfz h SER 74 Cb 0.65 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2jfz h SER 74 CO 0.05 0.88 -0.95 0.00 -1.14 0.00 0.00 176.83 175.67 2jfz h ALA 75 N 1.22 0.39 0.00 3.77 0.00 -0.61 -3.35 119.26 120.69 2jfz h ALA 75 Ca 0.18 -0.73 -0.29 0.00 0.00 0.00 0.00 54.91 54.07 2jfz h ALA 75 Cb 0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 2jfz h ALA 75 CO 0.01 0.86 -2.08 1.28 0.00 0.00 0.00 179.25 179.32 2jfz n LEU 76 N -3.70 2.89 -0.00 0.00 7.99 -0.41 -4.80 117.00 118.97 2jfz n LEU 76 Ca -0.06 -0.08 0.10 0.00 -0.01 0.00 0.00 56.01 55.97 2jfz n LEU 76 Cb 0.84 -0.66 -0.13 0.00 -0.11 0.00 0.00 43.42 43.36 2jfz n LEU 76 CO 0.50 0.80 -0.32 0.00 -1.51 0.00 0.00 177.39 176.86 2jfz n ALA 77 N -3.10 3.94 -0.13 -1.18 0.00 0.33 -4.62 120.51 115.76 2jfz n ALA 77 Ca -0.34 -0.56 -0.04 0.00 0.00 0.00 0.00 53.44 52.50 2jfz n ALA 77 Cb 0.85 -0.77 0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.34 -0.35 0.00 5.85 -1.54 -0.11 115.31 118.82 2jfz h LEU 78 Ca 0.00 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.89 2jfz h LEU 78 Cb 0.70 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 2jfz h LEU 78 CO 0.00 -0.12 0.10 -0.08 -0.34 0.00 0.00 178.44 178.01 2jfz h GLU 79 N 0.03 0.23 -0.51 1.25 4.81 -1.85 -0.75 114.58 117.79 2jfz h GLU 79 Ca 0.21 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 2jfz h GLU 79 Cb 0.31 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 2jfz h GLU 79 CO -0.41 0.16 -0.04 1.49 -0.73 0.00 0.00 179.01 179.47 2jfz h GLU 80 N 0.24 0.92 -0.73 1.92 4.57 -1.74 -2.36 114.58 117.41 2jfz h GLU 80 Ca 0.16 -0.31 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2jfz h GLU 80 Cb 0.16 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 2jfz h GLU 80 CO -0.19 0.97 0.44 0.52 -1.18 0.00 0.00 179.01 179.57 2jfz h MET 81 N 0.78 0.99 -0.09 1.92 2.86 -0.62 -2.07 114.93 118.70 2jfz h MET 81 Ca 0.14 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2jfz h MET 81 Cb 0.58 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 2jfz h MET 81 CO 0.03 0.70 -0.33 1.96 1.06 0.00 0.00 176.91 180.34 2jfz h GLN 82 N 0.99 0.17 -0.75 1.72 4.20 -1.06 -2.32 115.11 118.06 2jfz h GLN 82 Ca 0.26 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2jfz h GLN 82 Cb -0.03 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 2jfz h GLN 82 CO -0.05 0.48 0.40 -0.22 -0.67 0.00 0.00 178.83 178.77 2jfz h LYS 83 N 0.15 1.06 -0.54 1.46 3.64 -0.83 -2.97 116.57 118.54 2jfz h LYS 83 Ca 0.02 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2jfz h LYS 83 Cb 0.65 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 2jfz h LYS 83 CO 0.05 0.79 0.03 0.66 -2.27 0.00 0.00 179.45 178.71 2jfz n TYR 84 N -4.44 1.93 -5.16 1.91 4.02 -1.06 -4.94 117.16 109.42 2jfz n TYR 84 Ca 0.07 -0.82 -0.29 0.00 -0.01 0.00 0.00 57.90 56.84 2jfz n TYR 84 Cb 0.10 -0.50 -0.16 0.00 -0.02 0.00 0.00 39.34 38.76 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 -1.04 2.83 -0.02 7.72 0.15 -0.90 -5.02 113.70 117.41 2jfz s SER 85 Ca 0.53 -0.45 0.15 0.00 0.70 0.00 0.00 55.95 56.88 2jfz s SER 85 Cb 0.41 -0.31 -0.20 0.00 -1.71 0.00 0.00 66.02 64.21 2jfz s SER 85 CO 0.14 0.29 0.64 2.29 1.20 0.00 0.00 173.24 177.80 2jfz n LYS 86 N 2.42 0.64 -2.90 5.44 2.85 -1.26 -4.90 118.16 120.45 2jfz n LYS 86 Ca -0.16 0.21 -0.31 0.00 -1.05 0.00 0.00 58.31 57.01 2jfz n LYS 86 Cb 0.52 -1.75 -0.04 0.00 -0.65 0.00 0.00 35.03 33.11 2jfz n LYS 86 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2jfz s ILE 87 N -2.74 4.78 0.35 0.58 -4.36 -1.26 -5.02 121.20 113.52 2jfz s ILE 87 Ca -0.05 0.65 -0.28 0.00 -0.26 0.00 0.00 60.65 60.71 2jfz s ILE 87 Cb 0.08 -3.72 -0.10 0.00 1.25 0.00 0.00 42.46 39.98 2jfz s ILE 87 CO 0.82 -0.47 1.29 -2.16 0.24 0.00 0.00 174.94 174.66 2jfz s PRO 88 N -3.73 4.26 -0.16 0.37 0.04 -1.26 -4.85 135.00 129.67 2jfz s PRO 88 Ca 0.51 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.73 2jfz s PRO 88 Cb -0.10 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.47 2jfz s PRO 88 CO 0.29 -0.25 -0.20 0.42 0.04 0.00 0.00 177.00 177.31 2jfz s ILE 89 N -1.19 2.16 -0.19 0.56 1.01 -1.26 -1.15 121.20 121.14 2jfz s ILE 89 Ca 0.51 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 2jfz s ILE 89 Cb -0.38 -1.89 -0.00 0.00 0.01 0.00 0.00 42.46 40.19 2jfz s ILE 89 CO 0.51 0.54 -0.10 -0.69 0.00 0.00 0.00 174.94 175.20 2jfz s VAL 90 N 1.02 3.01 0.71 2.92 1.01 0.59 -4.98 120.40 124.67 2jfz s VAL 90 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2jfz s VAL 90 Cb -0.14 -2.33 0.13 0.00 0.00 0.00 0.00 36.38 34.04 2jfz s VAL 90 CO -0.06 0.47 0.97 -0.83 0.00 0.00 0.00 175.10 175.65 2jfz s GLY 91 N 1.16 1.74 0.00 4.51 0.00 -1.26 -0.76 107.32 112.71 2jfz s GLY 91 Ca 0.01 -1.91 0.24 0.00 0.00 0.00 0.00 44.72 43.06 2jfz s GLY 91 CO -0.03 -1.33 1.38 3.33 0.00 0.00 0.00 173.10 176.45 2jfz n VAL 92 N -2.74 0.41 -0.08 1.40 0.24 -1.22 -4.48 118.33 111.86 2jfz n VAL 92 Ca 0.16 -0.70 -0.10 0.00 -2.04 0.00 0.00 64.34 61.66 2jfz n VAL 92 Cb 0.61 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 34.01 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 4.55 0.48 -0.96 1.34 2.04 -1.92 -3.34 117.51 119.71 2jfz h ILE 93 Ca 0.00 -1.51 0.05 0.00 1.00 0.00 0.00 64.86 64.40 2jfz h ILE 93 Cb 1.00 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.07 2jfz h ILE 93 CO 0.00 0.16 0.61 -0.33 0.00 0.00 0.00 178.15 178.60 2jfz h GLU 94 N -1.00 1.11 -0.62 2.37 4.39 -1.98 -1.64 114.58 117.21 2jfz h GLU 94 Ca -0.11 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.56 2jfz h GLU 94 Cb 0.73 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 2jfz h GLU 94 CO -0.07 0.73 0.41 -1.35 -1.16 0.00 0.00 179.01 177.57 2jfz h PRO 95 N 1.14 0.69 -0.24 2.33 0.11 -1.78 -1.69 132.00 132.56 2jfz h PRO 95 Ca 0.40 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.32 2jfz h PRO 95 Cb 0.11 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 2jfz h PRO 95 CO -0.16 0.45 -0.48 0.77 -0.21 0.00 0.00 178.00 178.38 2jfz h SER 96 N 0.71 0.68 -0.80 -2.05 0.02 -1.43 -2.31 113.55 108.37 2jfz h SER 96 Ca 0.25 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2jfz h SER 96 Cb 0.12 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2jfz h SER 96 CO -0.07 1.05 0.48 0.40 -1.14 0.00 0.00 176.83 177.54 2jfz h ILE 97 N 0.50 1.22 -0.65 3.27 1.08 -0.78 -0.56 117.51 121.60 2jfz h ILE 97 Ca 0.03 -0.50 -0.08 0.00 -0.39 0.00 0.00 64.86 63.92 2jfz h ILE 97 Cb 1.01 0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 2jfz h ILE 97 CO 0.09 0.24 0.10 -0.07 -0.69 0.00 0.00 178.15 177.82 2jfz h LEU 98 N 1.09 1.02 -0.52 1.44 3.38 -1.25 -1.30 115.31 119.18 2jfz h LEU 98 Ca 0.29 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2jfz h LEU 98 Cb -0.03 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2jfz h LEU 98 CO -0.05 1.02 0.13 0.00 0.09 0.00 0.00 178.44 179.63 2jfz h ALA 99 N 1.10 0.68 -0.77 1.53 0.00 -0.87 -2.26 119.26 118.67 2jfz h ALA 99 Ca 0.20 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2jfz h ALA 99 Cb 0.43 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2jfz h ALA 99 CO 0.01 0.37 0.40 0.82 0.00 0.00 0.00 179.25 180.85 2jfz h ILE 100 N 0.72 1.23 -0.89 0.00 2.04 -0.85 0.83 117.51 120.59 2jfz h ILE 100 Ca 0.16 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.43 2jfz h ILE 100 Cb 0.32 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2jfz h ILE 100 CO 0.00 0.27 0.59 0.11 0.00 0.00 0.00 178.15 179.11 2jfz h LYS 101 N 1.08 1.18 -0.10 2.37 1.57 -0.76 0.49 116.57 122.40 2jfz h LYS 101 Ca 0.27 -0.08 -0.21 0.00 -1.87 0.00 0.00 60.65 58.77 2jfz h LYS 101 Cb 0.05 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.10 2jfz h LYS 101 CO -0.04 0.79 -0.78 0.00 -0.57 0.00 0.00 179.45 178.85 2jfz h ARG 102 N 1.22 0.58 0.00 3.15 3.08 -0.80 -3.35 114.38 118.26 2jfz h ARG 102 Ca 0.33 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2jfz h ARG 102 Cb -0.13 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2jfz h ARG 102 CO -0.07 1.11 -1.19 1.04 -1.07 0.00 0.00 179.97 179.79 2jfz n GLN 103 N -3.87 0.50 -3.86 0.04 6.02 0.21 -4.72 117.38 111.70 2jfz n GLN 103 Ca -0.06 0.02 -0.30 0.00 -0.01 0.00 0.00 57.00 56.65 2jfz n GLN 103 Cb 0.74 -1.68 -0.14 0.00 1.02 0.00 0.00 30.24 30.18 2jfz n GLN 103 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2jfz s VAL 104 N -3.33 2.17 0.28 5.09 1.01 0.17 -4.94 120.40 120.84 2jfz s VAL 104 Ca -0.00 -3.10 0.06 0.00 0.00 0.00 0.00 61.98 58.94 2jfz s VAL 104 Cb 0.12 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2jfz s VAL 104 CO 0.81 -0.85 1.65 -0.33 0.00 0.00 0.00 175.10 176.39 2jfz h GLU 105 N 6.52 0.23 -6.63 2.72 5.08 -1.81 -3.43 114.58 117.27 2jfz h GLU 105 Ca -0.04 -0.13 -0.56 0.00 -1.00 0.00 0.00 59.36 57.63 2jfz h GLU 105 Cb 0.90 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.09 2jfz h GLU 105 CO 0.62 0.66 1.00 0.34 -1.00 0.00 0.00 179.01 180.63 2jfz s ASP 106 N -6.88 6.48 0.46 1.42 2.15 -1.26 -4.88 116.67 114.16 2jfz s ASP 106 Ca -0.04 0.64 0.32 0.00 0.43 0.00 0.00 52.55 53.89 2jfz s ASP 106 Cb 0.13 -2.55 1.51 0.00 -0.30 0.00 0.00 42.92 41.72 2jfz s ASP 106 CO 0.78 -1.35 1.95 0.11 -0.17 0.00 0.00 175.17 176.49 2jfz h LYS 107 N 9.98 0.00 -0.02 4.34 1.79 -1.89 -2.21 116.57 128.57 2jfz h LYS 107 Ca -0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2jfz h LYS 107 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2jfz h LYS 107 CO 1.11 0.00 -0.19 0.09 -1.08 0.00 0.00 179.45 179.38 2jfz n ASN 108 N -2.71 1.79 -4.69 0.86 3.02 -1.26 -1.23 115.26 111.04 2jfz n ASN 108 Ca -0.00 -1.42 -0.43 0.00 -0.03 0.00 0.00 54.58 52.69 2jfz n ASN 108 Cb 0.17 0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 2jfz n ASN 108 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jfz n ALA 109 N 0.12 2.10 -1.89 5.41 0.00 -0.83 -4.58 120.51 120.83 2jfz n ALA 109 Ca 0.14 0.34 -0.42 0.00 0.00 0.00 0.00 53.44 53.50 2jfz n ALA 109 Cb 0.43 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.31 2jfz n ALA 109 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2jfz s PRO 110 N 2.31 3.90 -0.16 0.00 0.02 -1.26 -4.51 135.00 135.29 2jfz s PRO 110 Ca 0.81 2.12 -0.02 0.00 0.02 0.00 0.00 61.00 63.93 2jfz s PRO 110 Cb -0.53 -4.11 -0.02 0.00 0.02 0.00 0.00 34.50 29.87 2jfz s PRO 110 CO 0.37 -1.20 -0.08 0.42 -0.33 0.00 0.00 177.00 176.19 2jfz s ILE 111 N 5.14 3.42 -0.20 2.83 1.01 -0.16 -1.22 121.20 132.02 2jfz s ILE 111 Ca 0.81 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.91 2jfz s ILE 111 Cb -0.33 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 2jfz s ILE 111 CO 0.33 0.49 -0.05 -0.22 0.00 0.00 0.00 174.94 175.49 2jfz s LEU 112 N 0.58 2.92 -0.21 2.97 2.96 0.61 0.17 118.68 128.68 2jfz s LEU 112 Ca -0.05 -0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 53.39 2jfz s LEU 112 Cb -0.15 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2jfz s LEU 112 CO 0.03 0.03 0.25 -0.69 -1.32 0.00 0.00 176.35 174.65 2jfz s VAL 113 N 1.16 5.31 -0.06 1.68 1.01 0.64 -0.43 120.40 129.72 2jfz s VAL 113 Ca 0.02 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2jfz s VAL 113 Cb -0.14 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2jfz s VAL 113 CO -0.01 0.33 -0.19 -0.76 0.00 0.00 0.00 175.10 174.48 2jfz s LEU 114 N 0.98 2.46 0.00 3.92 1.43 -0.73 -0.16 118.68 126.57 2jfz s LEU 114 Ca 0.12 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2jfz s LEU 114 Cb -0.13 -1.48 0.03 0.00 0.03 0.00 0.00 46.19 44.64 2jfz s LEU 114 CO 0.05 0.30 0.48 0.61 0.23 0.00 0.00 176.35 178.01 2jfz n GLY 115 N 2.63 0.58 3.74 -3.19 0.00 -1.13 -0.91 105.19 106.90 2jfz n GLY 115 Ca -0.17 -0.93 -0.30 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 -2.15 2.70 0.22 2.61 -4.23 -1.26 -2.23 115.64 111.31 2jfz s THR 116 Ca 0.11 0.23 -0.07 0.00 -1.18 0.00 0.00 61.69 60.78 2jfz s THR 116 Cb -0.00 -2.78 0.17 0.00 1.34 0.00 0.00 72.50 71.23 2jfz s THR 116 CO 0.00 -0.30 1.79 0.50 -0.54 0.00 0.00 174.62 176.08 2jfz h LYS 117 N -1.46 0.65 -0.43 3.99 1.63 -1.90 -0.96 116.57 118.09 2jfz h LYS 117 Ca -0.49 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.24 2jfz h LYS 117 Cb 1.28 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 2jfz h LYS 117 CO 0.56 0.43 0.16 0.00 -3.45 0.00 0.00 179.45 177.15 2jfz h ALA 118 N 1.41 0.56 -0.37 5.00 0.00 -1.57 -1.08 119.26 123.21 2jfz h ALA 118 Ca 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2jfz h ALA 118 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2jfz h ALA 118 CO -0.24 0.18 0.15 1.15 0.00 0.00 0.00 179.25 180.50 2jfz h THR 119 N 0.56 1.19 -0.39 0.00 2.02 -1.72 -2.50 112.91 112.06 2jfz h THR 119 Ca 0.14 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.70 2jfz h THR 119 Cb 0.21 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2jfz h THR 119 CO -0.01 0.21 0.05 0.40 0.37 0.00 0.00 175.52 176.54 2jfz h ILE 120 N 0.46 1.24 0.00 3.11 1.08 -1.06 -2.82 117.51 119.52 2jfz h ILE 120 Ca 0.13 -0.89 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 2jfz h ILE 120 Cb 0.18 1.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.99 2jfz h ILE 120 CO -0.01 0.30 -0.05 1.56 -0.69 0.00 0.00 178.15 179.26 2jfz h GLN 121 N 0.50 0.00 0.00 2.37 4.20 -1.15 -2.35 115.11 118.68 2jfz h GLN 121 Ca 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 2jfz h GLN 121 Cb 0.38 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2jfz h GLN 121 CO 0.01 0.05 -0.02 0.66 -0.67 0.00 0.00 178.83 178.86 2jfz h SER 122 N 0.00 0.00 -2.13 1.46 4.64 -1.18 -3.46 113.55 112.87 2jfz h SER 122 Ca -0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 2jfz h SER 122 Cb 0.35 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.36 2jfz h SER 122 CO 0.01 0.02 -0.43 0.59 -0.87 0.00 0.00 176.83 176.14 2jfz n ASN 123 N -3.11 -5.36 0.06 4.97 3.02 -0.89 -4.88 115.26 109.07 2jfz n ASN 123 Ca 0.02 0.24 -0.11 0.00 -0.03 0.00 0.00 54.58 54.70 2jfz n ASN 123 Cb 0.41 -4.61 -0.04 0.00 -0.61 0.00 0.00 39.78 34.92 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 0.58 -0.30 -0.19 5.41 0.00 -1.85 -0.63 119.26 122.28 2jfz h ALA 124 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2jfz h ALA 124 Cb 1.31 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2jfz h ALA 124 CO 0.56 -0.73 0.01 1.88 0.00 0.00 0.00 179.25 180.97 2jfz h TYR 125 N -0.36 0.36 -0.25 0.00 -1.99 -1.90 -2.41 116.97 110.42 2jfz h TYR 125 Ca 0.06 -0.06 0.05 0.00 2.00 0.00 0.00 58.73 60.78 2jfz h TYR 125 Cb 0.44 -0.09 -0.05 0.00 2.00 0.00 0.00 36.73 39.03 2jfz h TYR 125 CO -0.27 0.52 -0.05 -0.44 -0.00 0.00 0.00 178.16 177.91 2jfz h ASP 126 N 0.09 -0.22 -0.23 3.88 5.19 -1.93 0.32 116.42 123.53 2jfz h ASP 126 Ca 0.05 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2jfz h ASP 126 Cb 0.37 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.02 2jfz h ASP 126 CO 0.01 -0.07 0.15 0.78 -3.12 0.00 0.00 179.24 176.98 2jfz h ASN 127 N 0.01 0.27 -0.56 6.45 2.35 -1.13 0.31 115.58 123.29 2jfz h ASN 127 Ca 0.12 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2jfz h ASN 127 Cb 0.18 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 2jfz h ASN 127 CO -0.25 0.22 0.35 0.00 -1.65 0.00 0.00 177.43 176.10 2jfz h ALA 128 N 1.06 0.71 -0.47 -0.83 0.00 -0.98 -0.80 119.26 117.95 2jfz h ALA 128 Ca 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2jfz h ALA 128 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2jfz h ALA 128 CO -0.02 0.18 0.10 -0.07 0.00 0.00 0.00 179.25 179.44 2jfz h LEU 129 N 0.75 0.72 -0.21 0.00 3.38 -0.04 -2.37 115.31 117.54 2jfz h LEU 129 Ca 0.20 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2jfz h LEU 129 Cb -0.04 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2jfz h LEU 129 CO -0.04 0.78 0.04 0.50 0.09 0.00 0.00 178.44 179.82 2jfz h LYS 130 N 0.63 0.13 -0.80 1.13 1.63 -0.09 -1.54 116.57 117.66 2jfz h LYS 130 Ca 0.14 -0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.09 2jfz h LYS 130 Cb 0.35 -0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 2jfz h LYS 130 CO 0.00 0.08 0.53 0.37 -3.45 0.00 0.00 179.45 176.99 2jfz h GLN 131 N 0.13 0.47 -0.15 1.90 5.75 -0.97 -0.16 115.11 122.08 2jfz h GLN 131 Ca 0.10 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 2jfz h GLN 131 Cb 0.09 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.53 2jfz h GLN 131 CO -0.13 0.31 0.00 1.04 -2.65 0.00 0.00 178.83 177.41 2jfz n GLN 132 N -4.50 1.56 -0.10 1.69 1.13 -0.64 -4.93 117.38 111.60 2jfz n GLN 132 Ca 0.15 -0.85 0.00 0.00 -1.94 0.00 0.00 57.00 54.36 2jfz n GLN 132 Cb 0.52 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.53 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 1.03 0.76 3.74 1.08 0.00 -0.07 -5.07 105.19 106.65 2jfz n GLY 133 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.09 3.82 -0.69 1.61 1.51 -0.86 -4.85 117.35 115.80 2jfz s TYR 134 Ca 0.00 1.80 0.15 0.00 -1.01 0.00 0.00 57.07 58.00 2jfz s TYR 134 Cb 0.00 -3.08 -0.16 0.00 -0.11 0.00 0.00 41.96 38.61 2jfz s TYR 134 CO 0.00 0.12 0.62 1.28 -1.11 0.00 0.00 175.55 176.46 2jfz n LEU 135 N 2.34 0.69 -3.70 -1.29 4.77 -0.37 -4.44 117.00 115.00 2jfz n LEU 135 Ca 0.01 -0.50 -0.28 0.00 -0.03 0.00 0.00 56.01 55.22 2jfz n LEU 135 Cb 0.48 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 2jfz n LEU 135 CO 0.51 0.17 -0.16 0.21 -1.33 0.00 0.00 177.39 176.79 2jfz s ASN 136 N -2.40 3.49 -0.16 -1.43 3.84 -1.25 -5.03 114.94 112.00 2jfz s ASN 136 Ca 0.05 -3.40 -0.02 0.00 0.21 0.00 0.00 52.86 49.70 2jfz s ASN 136 Cb 0.11 -1.14 -0.02 0.00 -0.55 0.00 0.00 41.25 39.65 2jfz s ASN 136 CO 0.60 -0.14 -0.08 -0.63 -2.79 0.00 0.00 177.10 174.06 2jfz s ILE 137 N -0.67 3.39 0.20 -5.21 1.01 -1.26 -0.99 121.20 117.67 2jfz s ILE 137 Ca 0.26 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2jfz s ILE 137 Cb -0.05 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2jfz s ILE 137 CO -0.15 0.49 -0.18 -0.44 0.00 0.00 0.00 174.94 174.66 2jfz s SER 138 N 0.60 2.92 0.03 3.58 0.01 0.13 -4.97 113.70 116.00 2jfz s SER 138 Ca -0.05 -0.93 -0.03 0.00 1.31 0.00 0.00 55.95 56.25 2jfz s SER 138 Cb -0.15 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 2jfz s SER 138 CO 0.03 -0.03 0.03 -1.38 0.41 0.00 0.00 173.24 172.30 2jfz s HIS 139 N -2.29 0.28 -0.22 2.43 -3.43 -1.26 -0.26 115.29 110.55 2jfz s HIS 139 Ca 0.20 -0.62 -0.10 0.00 -0.80 0.00 0.00 55.06 53.74 2jfz s HIS 139 Cb -0.05 -0.21 0.08 0.00 -1.43 0.00 0.00 32.58 30.98 2jfz s HIS 139 CO 0.09 -0.31 0.50 -1.17 -2.00 0.00 0.00 174.74 171.84 2jfz s LEU 140 N -2.08 -0.56 -0.64 5.38 2.96 0.77 -4.88 118.68 119.63 2jfz s LEU 140 Ca -0.06 1.13 -0.25 0.00 -0.22 0.00 0.00 54.13 54.74 2jfz s LEU 140 Cb -0.02 1.67 0.05 0.00 0.50 0.00 0.00 46.19 48.39 2jfz s LEU 140 CO -0.05 -0.22 1.05 0.00 -1.32 0.00 0.00 176.35 175.82 2jfz s ALA 141 N 2.01 3.03 -1.08 5.97 0.00 -1.26 -2.85 121.76 127.58 2jfz s ALA 141 Ca -0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 2jfz s ALA 141 Cb -0.09 -3.93 0.29 0.00 0.00 0.00 0.00 23.12 19.39 2jfz s ALA 141 CO -0.15 -2.77 1.79 0.25 0.00 0.00 0.00 175.76 174.88 2jfz n THR 142 N 6.17 5.77 -0.19 0.00 -2.24 -0.94 -4.85 114.28 117.99 2jfz n THR 142 Ca 0.00 -5.77 -0.00 0.00 -2.27 0.00 0.00 64.05 56.01 2jfz n THR 142 Cb 0.47 -1.77 0.08 0.00 -2.10 0.00 0.00 70.33 67.01 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 4.64 -0.33 0.29 3.42 0.87 -1.91 -1.87 113.55 118.65 2jfz h SER 143 Ca 0.45 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 2jfz h SER 143 Cb 0.41 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 2jfz h SER 143 CO 1.27 -0.13 0.00 0.18 -0.53 0.00 0.00 176.83 177.62 2jfz n LEU 144 N -5.31 0.07 -0.23 2.23 4.77 -1.26 -2.37 117.00 114.91 2jfz n LEU 144 Ca 0.08 0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 56.54 2jfz n LEU 144 Cb 0.33 -0.52 0.14 0.00 -2.33 0.00 0.00 43.42 41.04 2jfz n LEU 144 CO 0.10 -0.40 1.05 -0.26 -1.33 0.00 0.00 177.39 176.56 2jfz h PHE 145 N 0.00 1.05 0.62 -1.77 0.05 -1.75 -2.45 116.94 112.69 2jfz h PHE 145 Ca 0.00 -0.07 -0.03 0.00 3.82 0.00 0.00 57.97 61.69 2jfz h PHE 145 Cb 0.14 -0.32 -0.00 0.00 2.00 0.00 0.00 35.95 37.77 2jfz h PHE 145 CO 0.00 0.80 -0.36 0.28 -0.18 0.00 0.00 178.31 178.85 2jfz h VAL 146 N 1.02 0.26 -0.03 -0.55 2.07 -1.65 -1.02 116.25 116.35 2jfz h VAL 146 Ca 0.24 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.69 2jfz h VAL 146 Cb 0.19 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2jfz h VAL 146 CO -0.02 0.00 -0.32 1.55 0.02 0.00 0.00 177.57 178.80 2jfz h PRO 147 N -0.92 0.06 -0.42 1.57 0.13 -1.75 -1.36 132.00 129.31 2jfz h PRO 147 Ca -0.08 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.01 2jfz h PRO 147 Cb 0.74 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 2jfz h PRO 147 CO 0.09 0.38 0.17 -0.07 -0.23 0.00 0.00 178.00 178.34 2jfz h LEU 148 N 0.06 0.58 -0.72 1.56 4.07 -1.28 -1.85 115.31 117.73 2jfz h LEU 148 Ca 0.01 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.70 2jfz h LEU 148 Cb 0.59 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 2jfz h LEU 148 CO 0.04 0.58 -0.08 0.40 -1.08 0.00 0.00 178.44 178.31 2jfz h ILE 149 N 0.53 1.26 0.00 1.22 2.04 -0.90 0.05 117.51 121.71 2jfz h ILE 149 Ca 0.14 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 2jfz h ILE 149 Cb 0.19 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2jfz h ILE 149 CO -0.01 0.41 -0.16 -0.33 0.00 0.00 0.00 178.15 178.06 2jfz h GLU 150 N 0.82 0.00 -0.55 2.37 5.08 -1.01 -0.88 114.58 120.40 2jfz h GLU 150 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2jfz h GLU 150 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2jfz h GLU 150 CO 0.04 0.16 0.00 -1.91 -1.00 0.00 0.00 179.01 176.30 2jfz n GLU 151 N -3.55 2.37 -3.28 2.33 2.13 -0.72 -4.93 120.64 114.99 2jfz n GLU 151 Ca -0.01 -1.93 -0.21 0.00 0.66 0.00 0.00 57.16 55.67 2jfz n GLU 151 Cb 0.31 -1.47 0.06 0.00 0.27 0.00 0.00 31.44 30.61 2jfz n GLU 151 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2jfz n SER 152 N 0.99 -5.83 -4.29 4.31 2.88 -0.34 -4.92 113.62 106.43 2jfz n SER 152 Ca 0.18 -0.40 -0.44 0.00 -1.33 0.00 0.00 58.87 56.88 2jfz n SER 152 Cb 0.49 -4.52 0.00 0.00 -0.75 0.00 0.00 64.21 59.43 2jfz n SER 152 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2jfz n ILE 153 N -4.61 4.56 0.45 2.46 2.08 -0.04 -4.74 119.36 119.51 2jfz n ILE 153 Ca -0.03 -5.15 0.12 0.00 0.56 0.00 0.00 62.75 58.25 2jfz n ILE 153 Cb 0.57 -2.45 0.19 0.00 -0.75 0.00 0.00 39.64 37.20 2jfz n ILE 153 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2jfz n LEU 154 N 3.57 3.39 -3.83 1.39 4.77 -1.26 -4.52 117.00 120.50 2jfz n LEU 154 Ca 0.30 -1.40 -0.06 0.00 -0.03 0.00 0.00 56.01 54.82 2jfz n LEU 154 Cb 0.39 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 2jfz n LEU 154 CO 0.59 0.70 0.65 -1.83 -1.33 0.00 0.00 177.39 176.17 2jfz s GLU 155 N -1.60 1.77 0.00 3.23 -1.05 -1.26 -4.95 118.70 114.84 2jfz s GLU 155 Ca 0.37 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.07 2jfz s GLU 155 Cb 0.22 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.42 2jfz s GLU 155 CO 0.32 -0.83 0.00 0.41 0.95 0.00 0.00 175.26 176.11 2jfz n GLY 156 N -0.58 -0.67 0.31 -3.83 0.00 -1.26 -4.30 105.19 94.85 2jfz n GLY 156 Ca -0.06 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.28 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 0.67 -0.48 1.61 4.81 -2.02 -1.41 114.58 117.75 2jfz h GLU 157 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2jfz h GLU 157 Cb 0.00 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2jfz h GLU 157 CO 0.00 0.44 0.14 1.25 -0.73 0.00 0.00 179.01 180.12 2jfz h LEU 158 N 0.69 0.71 -0.29 1.64 5.85 -1.99 0.20 115.31 122.12 2jfz h LEU 158 Ca 0.44 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 2jfz h LEU 158 Cb 0.55 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2jfz h LEU 158 CO -0.32 0.74 -0.11 0.25 -0.34 0.00 0.00 178.44 178.66 2jfz h LEU 159 N 0.65 0.60 -0.32 2.25 5.85 -1.68 -1.45 115.31 121.21 2jfz h LEU 159 Ca 0.16 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.52 2jfz h LEU 159 Cb 0.28 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2jfz h LEU 159 CO -0.00 0.85 0.11 -0.08 -0.34 0.00 0.00 178.44 178.98 2jfz h GLU 160 N 0.34 0.24 -0.70 1.25 4.57 -1.05 0.32 114.58 119.56 2jfz h GLU 160 Ca 0.07 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 2jfz h GLU 160 Cb 0.61 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.11 2jfz h GLU 160 CO 0.04 0.16 0.31 1.15 -1.18 0.00 0.00 179.01 179.49 2jfz h THR 161 N 0.25 1.23 -0.23 0.32 2.02 -0.52 -0.57 112.91 115.40 2jfz h THR 161 Ca 0.15 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.58 2jfz h THR 161 Cb 0.12 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2jfz h THR 161 CO -0.15 0.28 -0.12 0.00 0.37 0.00 0.00 175.52 175.90 2jfz h MET 163 N 0.20 1.09 -0.48 0.00 2.07 -0.72 -2.25 114.93 114.84 2jfz h MET 163 Ca 0.05 -0.17 -0.05 0.00 -2.07 0.00 0.00 59.70 57.46 2jfz h MET 163 Cb 0.62 -0.19 -0.02 0.00 -1.87 0.00 0.00 31.60 30.14 2jfz h MET 163 CO 0.04 0.87 0.11 1.25 1.07 0.00 0.00 176.91 180.25 2jfz h HIS 164 N 1.08 0.82 -0.67 -0.22 2.76 -0.94 0.17 115.15 118.15 2jfz h HIS 164 Ca 0.26 -0.10 0.10 0.00 -2.20 0.00 0.00 60.37 58.42 2jfz h HIS 164 Cb 0.16 -0.23 -0.07 0.00 1.55 0.00 0.00 27.41 28.82 2jfz h HIS 164 CO 0.02 0.74 0.30 -0.92 -1.30 0.00 0.00 177.93 176.77 2jfz h TYR 165 N 0.66 0.53 0.24 5.26 3.20 -0.57 -0.78 116.97 125.52 2jfz h TYR 165 Ca 0.15 0.03 -0.33 0.00 3.14 0.00 0.00 58.73 61.72 2jfz h TYR 165 Cb 0.34 -0.14 0.03 0.00 1.54 0.00 0.00 36.73 38.51 2jfz h TYR 165 CO 0.02 0.17 -1.46 1.88 -1.64 0.00 0.00 178.16 177.13 2jfz h TYR 166 N 0.51 0.93 0.09 -3.82 0.99 -1.15 -3.40 116.97 111.11 2jfz h TYR 166 Ca 0.33 -0.68 -0.29 0.00 2.00 0.00 0.00 58.73 60.10 2jfz h TYR 166 Cb 0.38 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.06 2jfz h TYR 166 CO -0.13 1.53 -1.43 0.74 -0.00 0.00 0.00 178.16 178.87 2jfz h PHE 167 N 0.14 0.35 -0.71 4.88 0.05 -0.52 -3.39 116.94 117.74 2jfz h PHE 167 Ca -0.24 -0.26 0.14 0.00 3.82 0.00 0.00 57.97 61.43 2jfz h PHE 167 Cb 2.15 -0.01 -0.14 0.00 2.00 0.00 0.00 35.95 39.95 2jfz h PHE 167 CO 0.12 1.28 -0.20 1.15 -0.18 0.00 0.00 178.31 180.48 2jfz h THR 168 N 0.05 0.26 0.00 -1.55 2.02 -1.34 -0.79 112.91 111.56 2jfz h THR 168 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2jfz h THR 168 Cb 1.97 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2jfz h THR 168 CO 0.16 0.00 0.00 -2.65 0.37 0.00 0.00 175.52 173.40 2jfz n PRO 169 N -5.48 0.13 -2.12 6.66 -0.02 -1.26 -4.75 135.00 128.17 2jfz n PRO 169 Ca 0.09 0.60 -0.40 0.00 -2.02 0.00 0.00 63.50 61.77 2jfz n PRO 169 Cb 0.37 -1.90 -0.01 0.00 -0.02 0.00 0.00 33.50 31.94 2jfz n PRO 169 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2jfz s LEU 170 N -4.35 4.32 -0.11 2.45 1.43 -0.30 -4.92 118.68 117.20 2jfz s LEU 170 Ca -0.01 2.63 0.10 0.00 -1.03 0.00 0.00 54.13 55.82 2jfz s LEU 170 Cb 0.06 -3.79 -0.14 0.00 0.03 0.00 0.00 46.19 42.35 2jfz s LEU 170 CO 0.20 -0.67 0.04 -0.62 0.23 0.00 0.00 176.35 175.53 2jfz n GLU 171 N 0.45 2.13 -3.42 1.70 -0.58 -1.26 -4.94 120.64 114.71 2jfz n GLU 171 Ca 0.02 -0.01 -0.37 0.00 -0.42 0.00 0.00 57.16 56.38 2jfz n GLU 171 Cb 0.43 -1.29 -0.07 0.00 -0.57 0.00 0.00 31.44 29.94 2jfz n GLU 171 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2jfz s ILE 172 N -2.28 5.23 -0.31 -3.67 1.01 -1.26 -5.05 121.20 114.87 2jfz s ILE 172 Ca -0.05 0.70 -0.25 0.00 0.00 0.00 0.00 60.65 61.05 2jfz s ILE 172 Cb 0.03 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2jfz s ILE 172 CO 0.46 0.31 0.85 -0.22 0.00 0.00 0.00 174.94 176.34 2jfz s LEU 173 N 0.88 4.06 0.40 2.97 2.96 -1.26 -5.03 118.68 123.66 2jfz s LEU 173 Ca 0.20 0.73 -0.25 0.00 -0.22 0.00 0.00 54.13 54.59 2jfz s LEU 173 Cb -0.14 -3.17 -0.08 0.00 0.50 0.00 0.00 46.19 43.29 2jfz s LEU 173 CO 0.07 -0.67 1.14 -2.16 -1.32 0.00 0.00 176.35 173.41 2jfz s PRO 174 N 3.11 4.07 -0.05 0.98 0.04 -1.26 -4.80 135.00 137.08 2jfz s PRO 174 Ca 0.35 1.77 0.17 0.00 0.04 0.00 0.00 61.00 63.33 2jfz s PRO 174 Cb -0.14 -2.65 -0.26 0.00 0.04 0.00 0.00 34.50 31.50 2jfz s PRO 174 CO 0.13 -0.28 0.32 0.39 0.04 0.00 0.00 177.00 177.59 2jfz n GLU 175 N 0.05 0.70 -3.97 4.56 1.02 -0.36 -4.67 120.64 117.97 2jfz n GLU 175 Ca 0.04 -0.13 -0.17 0.00 -0.02 0.00 0.00 57.16 56.89 2jfz n GLU 175 Cb 0.47 -1.42 -0.16 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 -3.05 0.22 -0.10 2.62 1.01 -1.00 -0.22 120.40 119.88 2jfz s VAL 176 Ca -0.07 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2jfz s VAL 176 Cb 0.10 -0.28 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2jfz s VAL 176 CO 0.72 0.14 -0.16 -0.63 0.00 0.00 0.00 175.10 175.16 2jfz s ILE 177 N 0.80 1.55 -0.21 2.22 1.01 0.83 -0.28 121.20 127.12 2jfz s ILE 177 Ca -0.08 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 2jfz s ILE 177 Cb -0.11 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2jfz s ILE 177 CO -0.01 0.45 0.37 -0.63 0.00 0.00 0.00 174.94 175.11 2jfz s ILE 178 N 0.85 5.22 -1.29 2.92 1.01 0.43 -0.73 121.20 129.61 2jfz s ILE 178 Ca -0.09 0.63 -0.10 0.00 0.00 0.00 0.00 60.65 61.09 2jfz s ILE 178 Cb -0.15 -3.70 0.16 0.00 0.01 0.00 0.00 42.46 38.77 2jfz s ILE 178 CO 0.00 0.25 1.88 0.18 0.00 0.00 0.00 174.94 177.26 2jfz n LEU 179 N 4.53 6.58 -2.04 2.97 4.77 -0.81 -1.78 117.00 131.22 2jfz n LEU 179 Ca -0.09 -4.58 -0.10 0.00 -0.03 0.00 0.00 56.01 51.21 2jfz n LEU 179 Cb 0.51 -1.50 -0.13 0.00 -2.33 0.00 0.00 43.42 39.96 2jfz n LEU 179 CO 0.39 1.31 1.41 0.61 -1.33 0.00 0.00 177.39 179.78 2jfz n GLY 180 N 3.01 2.66 3.64 -0.72 0.00 -0.09 -4.45 105.19 109.24 2jfz n GLY 180 Ca 0.41 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 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 4.23 0.66 0.01 0.00 1.35 -1.85 -2.59 112.91 114.73 2jfz h THR 182 Ca -0.29 -0.16 -0.19 0.00 -0.55 0.00 0.00 66.41 65.22 2jfz h THR 182 Cb 1.18 0.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 2jfz h THR 182 CO 0.10 0.08 -0.90 0.45 -0.25 0.00 0.00 175.52 175.01 2jfz h HIS 183 N 0.46 0.07 -0.44 4.73 3.86 -1.95 -3.38 115.15 118.50 2jfz h HIS 183 Ca 0.51 -0.04 0.11 0.00 -1.16 0.00 0.00 60.37 59.79 2jfz h HIS 183 Cb 1.19 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 2jfz h HIS 183 CO -0.00 0.91 0.31 0.74 0.86 0.00 0.00 177.93 180.75 2jfz h PHE 184 N 0.02 0.11 -0.04 2.45 0.05 -1.79 -1.97 116.94 115.77 2jfz h PHE 184 Ca -0.02 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.79 2jfz h PHE 184 Cb 1.57 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 39.49 2jfz h PHE 184 CO 0.01 0.05 0.04 -1.35 -0.18 0.00 0.00 178.31 176.88 2jfz h PRO 185 N 0.10 0.00 0.00 1.51 0.11 -1.75 -0.75 132.00 131.22 2jfz h PRO 185 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2jfz h PRO 185 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 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 -3.97 0.53 -0.50 2.35 4.77 -0.74 -2.10 117.00 117.33 2jfz n LEU 186 Ca -0.02 0.65 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 2jfz n LEU 186 Cb 0.14 -0.60 0.12 0.00 -2.33 0.00 0.00 43.42 40.74 2jfz n LEU 186 CO 0.29 -0.57 0.38 2.30 -1.33 0.00 0.00 177.39 178.46 2jfz n ILE 187 N -2.10 1.38 0.11 -0.08 -5.35 -0.33 -4.85 119.36 108.14 2jfz n ILE 187 Ca 0.02 -1.97 -0.13 0.00 -0.27 0.00 0.00 62.75 60.40 2jfz n ILE 187 Cb 0.18 0.07 -0.06 0.00 -1.74 0.00 0.00 39.64 38.09 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 0.43 -0.32 0.00 -1.28 0.00 -0.98 0.03 119.26 117.15 2jfz h ALA 188 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2jfz h ALA 188 Cb 1.20 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2jfz h ALA 188 CO 0.01 -0.71 -0.13 -0.56 0.00 0.00 0.00 179.25 177.86 2jfz h GLN 189 N -0.36 0.00 -0.07 0.00 3.07 -1.89 -0.62 115.11 115.24 2jfz h GLN 189 Ca 0.02 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 58.51 2jfz h GLN 189 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.94 2jfz h GLN 189 CO -0.08 0.13 -0.91 0.87 0.09 0.00 0.00 178.83 178.94 2jfz h LYS 190 N 0.00 0.72 -0.54 0.06 1.79 -1.74 0.18 116.57 117.03 2jfz h LYS 190 Ca -0.00 -0.68 -0.10 0.00 -2.18 0.00 0.00 60.65 57.69 2jfz h LYS 190 Cb 0.31 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.11 2jfz h LYS 190 CO 0.02 1.27 -0.04 0.82 -1.08 0.00 0.00 179.45 180.44 2jfz h ILE 191 N 0.45 1.26 -0.04 1.86 2.04 -0.51 0.26 117.51 122.84 2jfz h ILE 191 Ca -0.09 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.61 2jfz h ILE 191 Cb 1.55 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2jfz h ILE 191 CO 0.18 0.41 0.01 -0.08 0.00 0.00 0.00 178.15 178.67 2jfz h GLU 192 N 0.88 0.06 -0.11 2.37 4.81 -1.04 -2.69 114.58 118.85 2jfz h GLU 192 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jfz h GLU 192 Cb 0.57 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2jfz h GLU 192 CO 0.03 0.23 0.08 0.78 -0.73 0.00 0.00 179.01 179.40 2jfz h GLY 193 N -0.13 0.16 0.85 1.92 0.00 -0.35 -2.04 103.07 103.48 2jfz h GLY 193 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2jfz h GLY 193 CO -0.00 0.06 -0.15 -1.82 0.00 0.00 0.00 176.54 174.63 2jfz h TYR 194 N 0.15 -0.39 -0.13 5.60 3.20 -0.62 -0.47 116.97 124.32 2jfz h TYR 194 Ca 0.04 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 2jfz h TYR 194 Cb -0.01 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2jfz h TYR 194 CO -0.00 -0.14 -0.32 0.74 -1.64 0.00 0.00 178.16 176.79 2jfz h PHE 195 N -0.58 0.28 0.00 -3.82 -1.00 -1.36 0.43 116.94 110.89 2jfz h PHE 195 Ca -0.04 -0.06 -0.06 0.00 2.81 0.00 0.00 57.97 60.61 2jfz h PHE 195 Cb 0.42 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 2jfz h PHE 195 CO -0.01 0.55 -0.31 0.52 -1.61 0.00 0.00 178.31 177.45 2jfz h MET 196 N 0.22 0.00 0.00 1.51 2.86 -1.32 -2.13 114.93 116.07 2jfz h MET 196 Ca 0.03 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2jfz h MET 196 Cb 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2jfz h MET 196 CO 0.05 0.31 -1.60 0.41 1.06 0.00 0.00 176.91 177.14 2jfz n GLY 197 N 0.36 -1.19 0.01 8.32 0.00 -0.19 -4.34 105.19 108.16 2jfz n GLY 197 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.55 0.09 -4.14 1.61 -0.00 0.10 -4.97 115.22 105.35 2jfz n HIS 198 Ca -0.06 0.03 -0.10 0.00 -0.00 0.00 0.00 57.72 57.58 2jfz n HIS 198 Cb 0.66 -0.29 -0.10 0.00 -0.00 0.00 0.00 29.99 30.26 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 -3.22 0.80 -0.79 4.41 0.40 -0.80 -5.07 117.98 113.72 2jfz s PHE 199 Ca 0.02 -0.90 -0.22 0.00 -0.60 0.00 0.00 56.93 55.23 2jfz s PHE 199 Cb 0.15 -0.48 0.08 0.00 0.51 0.00 0.00 43.02 43.27 2jfz s PHE 199 CO 0.86 -0.18 1.13 0.00 0.70 0.00 0.00 175.22 177.72 2jfz s ALA 200 N -3.44 3.06 -0.10 5.36 0.00 -1.26 -4.59 121.76 120.80 2jfz s ALA 200 Ca 0.09 -2.06 0.03 0.00 0.00 0.00 0.00 51.96 50.02 2jfz s ALA 200 Cb 0.04 -4.07 0.01 0.00 0.00 0.00 0.00 23.12 19.10 2jfz s ALA 200 CO -0.05 -3.03 -0.18 -0.51 0.00 0.00 0.00 175.76 171.98 2jfz s LEU 201 N 4.13 1.88 0.38 0.00 1.43 -1.26 -5.01 118.68 120.23 2jfz s LEU 201 Ca 0.30 -0.46 0.18 0.00 -1.03 0.00 0.00 54.13 53.12 2jfz s LEU 201 Cb -0.10 -1.18 0.75 0.00 0.03 0.00 0.00 46.19 45.69 2jfz s LEU 201 CO 0.03 0.08 1.78 1.55 0.23 0.00 0.00 176.35 180.02 2jfz h PRO 202 N 7.03 0.00 -3.49 1.29 0.13 -1.99 -3.44 132.00 131.53 2jfz h PRO 202 Ca -0.27 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.66 2jfz h PRO 202 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 2jfz h PRO 202 CO 0.49 0.37 -0.59 -0.08 -0.23 0.00 0.00 178.00 177.95 2jfz s THR 203 N -3.77 0.01 0.78 1.56 -1.32 -1.26 -5.16 115.64 106.48 2jfz s THR 203 Ca -0.01 -0.05 -0.11 0.00 -1.21 0.00 0.00 61.69 60.32 2jfz s THR 203 Cb 0.12 -0.17 0.06 0.00 -1.51 0.00 0.00 72.50 71.00 2jfz s THR 203 CO 0.69 -0.03 1.10 -2.16 -2.21 0.00 0.00 174.62 172.01 2jfz s PRO 204 N -0.04 2.16 0.53 7.08 0.04 -1.26 -4.98 135.00 138.53 2jfz s PRO 204 Ca -0.01 1.21 -0.21 0.00 0.04 0.00 0.00 61.00 62.03 2jfz s PRO 204 Cb -0.01 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2jfz s PRO 204 CO 0.00 -1.73 1.26 -2.14 0.04 0.00 0.00 177.00 174.43 2jfz s PRO 205 N -4.86 3.27 -0.15 0.56 0.02 -1.26 -4.94 135.00 127.64 2jfz s PRO 205 Ca 0.62 1.98 -0.29 0.00 0.02 0.00 0.00 61.00 63.33 2jfz s PRO 205 Cb -0.18 -2.21 -0.01 0.00 0.02 0.00 0.00 34.50 32.12 2jfz s PRO 205 CO 0.56 -1.01 1.22 -1.17 -0.33 0.00 0.00 177.00 176.27 2jfz s LEU 206 N -3.53 4.19 -0.11 -5.54 2.96 0.70 -4.83 118.68 112.51 2jfz s LEU 206 Ca 0.71 1.67 -0.12 0.00 -0.22 0.00 0.00 54.13 56.17 2jfz s LEU 206 Cb -0.34 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 2jfz s LEU 206 CO 0.40 -0.71 0.27 -0.76 -1.32 0.00 0.00 176.35 174.23 2jfz s LEU 207 N 3.20 4.33 -0.27 -0.68 1.43 -1.26 -0.12 118.68 125.32 2jfz s LEU 207 Ca 0.53 0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 54.12 2jfz s LEU 207 Cb -0.21 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2jfz s LEU 207 CO 0.15 0.24 0.15 -0.63 0.23 0.00 0.00 176.35 176.49 2jfz s ILE 208 N -0.29 5.01 -0.21 -0.59 -1.09 0.09 -4.95 121.20 119.17 2jfz s ILE 208 Ca 0.17 0.07 -0.14 0.00 -2.23 0.00 0.00 60.65 58.52 2jfz s ILE 208 Cb -0.13 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 2jfz s ILE 208 CO 0.06 0.28 0.32 -2.28 -1.23 0.00 0.00 174.94 172.09 2jfz s HIS 209 N 1.68 3.36 0.32 3.97 2.46 -1.26 -1.92 115.29 123.90 2jfz s HIS 209 Ca 0.07 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.10 2jfz s HIS 209 Cb -0.16 -2.45 0.54 0.00 -0.13 0.00 0.00 32.58 30.39 2jfz s HIS 209 CO 0.09 0.01 1.98 0.77 -2.47 0.00 0.00 174.74 175.12 2jfz h SER 210 N 7.41 0.82 -0.03 9.88 0.02 -1.91 -1.86 113.55 127.89 2jfz h SER 210 Ca -0.37 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 2jfz h SER 210 Cb 1.16 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 2jfz h SER 210 CO 0.70 0.61 -0.01 1.23 -1.14 0.00 0.00 176.83 178.22 2jfz h GLY 211 N 0.97 0.06 1.40 -3.77 0.00 -1.90 -2.03 103.07 97.80 2jfz h GLY 211 Ca 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 2jfz h GLY 211 CO -0.05 0.05 0.13 -0.55 0.00 0.00 0.00 176.54 176.11 2jfz h ASP 212 N -0.32 0.70 -0.52 0.19 3.32 -1.88 -2.04 116.42 115.87 2jfz h ASP 212 Ca 0.01 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2jfz h ASP 212 Cb 0.40 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2jfz h ASP 212 CO 0.00 0.69 0.10 0.00 -1.72 0.00 0.00 179.24 178.31 2jfz h ALA 213 N 1.41 0.69 -0.00 3.45 0.00 -1.30 -2.81 119.26 120.69 2jfz h ALA 213 Ca 0.16 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2jfz h ALA 213 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jfz h ALA 213 CO -0.00 0.41 -0.64 0.97 0.00 0.00 0.00 179.25 179.99 2jfz h ILE 214 N 0.73 1.45 -0.35 0.00 2.10 -1.12 -2.72 117.51 117.61 2jfz h ILE 214 Ca 0.16 -2.18 -0.01 0.00 1.08 0.00 0.00 64.86 63.91 2jfz h ILE 214 Cb 0.38 2.17 -0.02 0.00 -1.09 0.00 0.00 36.82 38.27 2jfz h ILE 214 CO 0.01 0.62 0.18 0.58 -1.08 0.00 0.00 178.15 178.46 2jfz h VAL 215 N 0.01 1.15 -0.75 2.19 2.07 -1.23 -0.28 116.25 119.41 2jfz h VAL 215 Ca -0.01 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2jfz h VAL 215 Cb 1.13 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2jfz h VAL 215 CO 0.08 0.16 0.49 -0.33 0.02 0.00 0.00 177.57 177.99 2jfz h GLU 216 N 0.44 1.00 -0.09 1.57 5.08 -1.42 -1.50 114.58 119.66 2jfz h GLU 216 Ca 0.12 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jfz h GLU 216 Cb 0.08 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2jfz h GLU 216 CO -0.02 0.67 0.03 -0.92 -1.00 0.00 0.00 179.01 177.78 2jfz h TYR 217 N 1.02 0.13 -0.83 4.33 3.20 -1.16 -1.68 116.97 121.97 2jfz h TYR 217 Ca 0.27 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.18 2jfz h TYR 217 Cb -0.10 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 2jfz h TYR 217 CO -0.02 0.24 0.52 -0.07 -1.64 0.00 0.00 178.16 177.19 2jfz h LEU 218 N -0.02 0.85 -0.76 2.82 3.38 -0.78 0.21 115.31 121.01 2jfz h LEU 218 Ca 0.03 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 2jfz h LEU 218 Cb 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jfz h LEU 218 CO -0.00 0.57 -0.08 1.56 0.09 0.00 0.00 178.44 180.57 2jfz h GLN 219 N 0.99 0.86 0.31 1.13 4.20 -1.19 -0.68 115.11 120.73 2jfz h GLN 219 Ca 0.35 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2jfz h GLN 219 Cb 0.08 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2jfz h GLN 219 CO -0.14 0.91 -0.15 0.37 -0.67 0.00 0.00 178.83 179.15 2jfz h GLN 220 N 0.78 -0.40 -0.83 1.46 5.75 -0.45 -1.53 115.11 119.88 2jfz h GLN 220 Ca 0.13 0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 2jfz h GLN 220 Cb 0.59 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.19 2jfz h GLN 220 CO 0.04 -0.26 0.37 -0.22 -2.65 0.00 0.00 178.83 176.11 2jfz h LYS 221 N -0.59 1.22 -0.40 1.69 3.11 -0.70 -3.08 116.57 117.82 2jfz h LYS 221 Ca -0.04 -0.20 -0.07 0.00 -2.81 0.00 0.00 60.65 57.53 2jfz h LYS 221 Cb 0.32 -0.21 -0.04 0.00 -1.00 0.00 0.00 32.23 31.30 2jfz h LYS 221 CO 0.07 0.96 0.04 0.66 -2.81 0.00 0.00 179.45 178.37 2jfz n TYR 222 N -4.29 1.37 -3.70 1.91 4.01 -0.26 -4.94 117.16 111.26 2jfz n TYR 222 Ca 0.08 -1.03 -0.20 0.00 -0.16 0.00 0.00 57.90 56.59 2jfz n TYR 222 Cb 0.16 -0.43 -0.07 0.00 -0.31 0.00 0.00 39.34 38.69 2jfz n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jfz n ALA 223 N -0.41 -1.66 -2.05 -0.72 0.00 -0.62 -4.83 120.51 110.21 2jfz n ALA 223 Ca 0.27 -0.28 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2jfz n ALA 223 Cb 1.04 -0.52 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 -5.88 3.97 0.00 0.00 1.43 -0.96 -5.02 118.68 112.23 2jfz s LEU 224 Ca 0.00 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2jfz s LEU 224 Cb -0.00 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 42.02 2jfz s LEU 224 CO 0.66 -0.29 0.00 1.17 0.23 0.00 0.00 176.35 178.11 2jfz n LYS 225 N -0.64 0.00 -0.85 1.70 3.00 -1.26 -4.58 118.16 115.53 2jfz n LYS 225 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2jfz n LYS 225 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 2jfz n LYS 225 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2jfz n PRO 232 N 0.00 -0.97 -2.83 1.64 -0.02 -1.26 -5.72 135.00 125.84 2jfz n PRO 232 Ca 0.00 1.10 -0.41 0.00 -2.02 0.00 0.00 63.50 62.17 2jfz n PRO 232 Cb 0.00 -0.83 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 2jfz n PRO 232 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jfz s LYS 233 N -2.45 4.47 -0.03 -0.52 1.02 -0.65 -4.98 119.74 116.59 2jfz s LYS 233 Ca 0.00 1.20 -0.01 0.00 0.02 0.00 0.00 55.97 57.18 2jfz s LYS 233 Cb 0.00 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2jfz s LYS 233 CO 0.00 -0.10 0.05 0.08 -0.92 0.00 0.00 175.35 174.47 2jfz s VAL 234 N 1.26 -0.10 0.07 3.17 1.01 -1.26 -0.17 120.40 124.38 2jfz s VAL 234 Ca 0.45 0.36 0.09 0.00 0.00 0.00 0.00 61.98 62.88 2jfz s VAL 234 Cb -0.19 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 2jfz s VAL 234 CO 0.21 0.15 -0.24 -1.83 0.00 0.00 0.00 175.10 173.39 2jfz s GLU 235 N 1.81 1.52 -0.06 2.72 -1.05 -0.64 -4.99 118.70 118.01 2jfz s GLU 235 Ca 0.00 -1.12 0.01 0.00 -0.15 0.00 0.00 54.97 53.72 2jfz s GLU 235 Cb -0.12 -1.75 -0.03 0.00 -0.44 0.00 0.00 34.13 31.78 2jfz s GLU 235 CO -0.03 0.44 -0.08 -0.06 0.95 0.00 0.00 175.26 176.48 2jfz s PHE 236 N -0.90 2.91 0.03 4.83 0.40 -1.26 -1.15 117.98 122.83 2jfz s PHE 236 Ca 0.10 -0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 2jfz s PHE 236 Cb -0.10 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 2jfz s PHE 236 CO 0.03 0.32 -0.06 -1.01 0.70 0.00 0.00 175.22 175.20 2jfz s HIS 237 N -0.82 0.49 -0.04 0.36 3.76 0.01 -4.98 115.29 114.06 2jfz s HIS 237 Ca 0.13 -0.44 -0.21 0.00 -0.15 0.00 0.00 55.06 54.38 2jfz s HIS 237 Cb -0.11 -0.30 0.04 0.00 1.11 0.00 0.00 32.58 33.32 2jfz s HIS 237 CO 0.02 -0.10 0.48 0.00 -0.85 0.00 0.00 174.74 174.28 2jfz s ALA 238 N -1.20 -1.22 -0.51 -1.40 0.00 -1.26 -1.45 121.76 114.73 2jfz s ALA 238 Ca -0.10 0.82 0.24 0.00 0.00 0.00 0.00 51.96 52.92 2jfz s ALA 238 Cb -0.09 -0.04 0.43 0.00 0.00 0.00 0.00 23.12 23.43 2jfz s ALA 238 CO -0.00 -0.30 1.60 0.66 0.00 0.00 0.00 175.76 177.72 2jfz h SER 239 N 3.66 0.00 0.00 0.00 4.64 -1.78 -3.42 113.55 116.66 2jfz h SER 239 Ca -0.28 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2jfz h SER 239 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2jfz h SER 239 CO 0.38 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 2jfz n GLY 240 N 1.17 1.85 3.55 -0.77 0.00 -1.26 -4.39 105.19 105.34 2jfz n GLY 240 Ca 0.04 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 2jfz n GLY 240 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jfz s ASP 241 N -1.00 6.03 0.29 1.61 -1.08 -1.26 -4.85 116.67 116.42 2jfz s ASP 241 Ca 0.00 -0.49 0.06 0.00 -0.52 0.00 0.00 52.55 51.60 2jfz s ASP 241 Cb 0.00 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.36 2jfz s ASP 241 CO 0.00 -1.91 1.71 1.62 0.52 0.00 0.00 175.17 177.11 2jfz h VAL 242 N 6.33 1.29 -0.71 1.11 3.04 -1.93 -2.43 116.25 122.96 2jfz h VAL 242 Ca -0.19 -1.43 -0.06 0.00 -1.01 0.00 0.00 66.70 64.01 2jfz h VAL 242 Cb 1.06 1.59 -0.03 0.00 -2.01 0.00 0.00 31.29 31.90 2jfz h VAL 242 CO 1.29 0.43 0.21 0.40 -1.01 0.00 0.00 177.57 178.89 2jfz h ILE 243 N 0.25 1.26 -0.30 3.17 2.04 -1.97 -0.20 117.51 121.76 2jfz h ILE 243 Ca 0.03 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 2jfz h ILE 243 Cb 0.77 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2jfz h ILE 243 CO 0.06 0.35 0.12 -0.25 0.00 0.00 0.00 178.15 178.43 2jfz h TRP 244 N 1.06 0.46 -1.00 1.37 7.01 -1.91 -1.00 115.95 121.94 2jfz h TRP 244 Ca 0.23 -0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.21 2jfz h TRP 244 Cb 0.31 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 27.18 2jfz h TRP 244 CO 0.02 0.44 0.66 1.25 -2.79 0.00 0.00 178.44 178.03 2jfz h LEU 245 N 0.34 1.14 -0.94 0.65 5.85 -1.03 -0.50 115.31 120.82 2jfz h LEU 245 Ca 0.10 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2jfz h LEU 245 Cb 0.18 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2jfz h LEU 245 CO -0.01 0.81 -0.45 -0.33 -0.34 0.00 0.00 178.44 178.13 2jfz h GLU 246 N 1.34 0.18 -0.34 1.25 5.08 -0.76 -1.11 114.58 120.21 2jfz h GLU 246 Ca 0.37 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 2jfz h GLU 246 Cb -0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2jfz h GLU 246 CO -0.09 0.59 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.14 2jfz h ARG 247 N 0.15 0.72 -0.54 2.33 2.43 -0.22 -1.06 114.38 118.20 2jfz h ARG 247 Ca 0.01 -0.32 -0.11 0.00 -0.81 0.00 0.00 59.98 58.75 2jfz h ARG 247 Cb 0.85 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 2jfz h ARG 247 CO 0.07 0.93 -0.10 1.96 -1.51 0.00 0.00 179.97 181.31 2jfz h GLN 248 N 0.62 1.01 -0.68 0.20 1.08 -0.68 -1.09 115.11 115.57 2jfz h GLN 248 Ca 0.07 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 56.88 2jfz h GLN 248 Cb 0.80 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 2jfz h GLN 248 CO 0.07 1.05 0.30 0.00 -0.95 0.00 0.00 178.83 179.29 2jfz h ALA 249 N 0.98 0.88 -0.55 3.87 0.00 -0.87 0.13 119.26 123.70 2jfz h ALA 249 Ca 0.14 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2jfz h ALA 249 Cb 0.66 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jfz h ALA 249 CO 0.05 0.48 0.06 -0.22 0.00 0.00 0.00 179.25 179.61 2jfz h LYS 250 N 0.96 0.93 -0.15 0.00 1.63 -0.11 0.45 116.57 120.28 2jfz h LYS 250 Ca 0.23 -0.27 -0.09 0.00 -0.85 0.00 0.00 60.65 59.68 2jfz h LYS 250 Cb 0.17 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2jfz h LYS 250 CO -0.02 0.91 -0.25 1.49 -3.45 0.00 0.00 179.45 178.13 2jfz h GLU 251 N 0.81 0.42 0.00 1.90 4.81 -0.89 -2.63 114.58 119.01 2jfz h GLU 251 Ca 0.16 -0.26 -0.26 0.00 -0.13 0.00 0.00 59.36 58.87 2jfz h GLU 251 Cb 0.46 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 2jfz h GLU 251 CO 0.02 0.86 -2.08 0.91 -0.73 0.00 0.00 179.01 177.98 2jfz n TRP 252 N -4.44 0.28 0.52 0.92 7.02 0.41 -4.46 117.44 117.68 2jfz n TRP 252 Ca -0.06 0.10 0.06 0.00 -1.02 0.00 0.00 57.50 56.57 2jfz n TRP 252 Cb 0.44 -0.95 -0.03 0.00 -2.42 0.00 0.00 31.31 28.36 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 -2.72 1.01 -2.95 -0.99 4.77 0.14 -4.98 117.00 111.29 2jfz n LEU 253 Ca -0.22 -0.66 -0.22 0.00 -0.03 0.00 0.00 56.01 54.87 2jfz n LEU 253 Cb 0.99 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.11 2jfz n LEU 253 CO 0.44 0.21 -0.04 0.29 -1.33 0.00 0.00 177.39 176.96 2jfz n LYS 254 N -0.62 -4.42 0.00 3.23 4.76 -0.18 -4.94 118.16 115.99 2jfz n LYS 254 Ca 0.04 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 2jfz n LYS 254 Cb 0.22 -5.74 0.00 0.00 -1.84 0.00 0.00 35.03 27.66 2jfz n LYS 254 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31