#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f4a s ILE 6 N 0.00 1.87 0.49 0.44 -4.36 -1.26 -5.15 121.20 113.23 3f4a s ILE 6 Ca 0.00 -1.35 -0.10 0.00 -0.26 0.00 0.00 60.65 58.93 3f4a s ILE 6 Cb 0.00 -2.22 -0.05 0.00 1.25 0.00 0.00 42.46 41.43 3f4a s ILE 6 CO 0.00 0.00 0.87 0.42 0.24 0.00 0.00 174.94 176.47 3f4a s THR 7 N -2.72 4.76 -0.72 8.37 -4.23 -1.26 -5.02 115.64 114.82 3f4a s THR 7 Ca 0.42 0.68 0.22 0.00 -1.18 0.00 0.00 61.69 61.83 3f4a s THR 7 Cb -0.03 -3.79 -0.18 0.00 1.34 0.00 0.00 72.50 69.84 3f4a s THR 7 CO 0.26 -0.76 0.93 0.59 -0.54 0.00 0.00 174.62 175.10 3f4a n ASN 8 N -1.89 0.67 -3.95 3.99 5.03 -1.26 -4.88 115.26 112.97 3f4a n ASN 8 Ca 0.03 -0.50 -0.19 0.00 0.87 0.00 0.00 54.58 54.79 3f4a n ASN 8 Cb 0.54 1.00 -0.16 0.00 -1.02 0.00 0.00 39.78 40.15 3f4a n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3f4a s VAL 9 N -3.15 0.62 0.09 2.41 1.01 -1.26 -3.50 120.40 116.63 3f4a s VAL 9 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 3f4a s VAL 9 Cb 0.15 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3f4a s VAL 9 CO 0.83 0.21 0.02 -0.54 0.00 0.00 0.00 175.10 175.63 3f4a s LYS 10 N 0.42 0.77 0.35 2.72 1.02 -1.16 -5.02 119.74 118.83 3f4a s LYS 10 Ca -0.06 -1.31 -0.25 0.00 0.02 0.00 0.00 55.97 54.37 3f4a s LYS 10 Cb -0.10 0.23 -0.10 0.00 -0.52 0.00 0.00 37.83 37.34 3f4a s LYS 10 CO 0.00 -0.19 0.95 0.71 -0.92 0.00 0.00 175.35 175.91 3f4a s TYR 11 N -3.98 3.60 -0.07 3.18 1.51 -1.26 -1.48 117.35 118.87 3f4a s TYR 11 Ca 0.15 1.75 0.06 0.00 -1.01 0.00 0.00 57.07 58.01 3f4a s TYR 11 Cb 0.08 -2.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.00 3f4a s TYR 11 CO -0.05 0.12 -0.25 -1.17 -1.11 0.00 0.00 175.55 173.10 3f4a s LEU 12 N -2.29 2.07 0.29 -1.29 2.96 -0.16 -4.87 118.68 115.39 3f4a s LEU 12 Ca 0.53 -0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 53.63 3f4a s LEU 12 Cb -0.17 -1.36 -0.10 0.00 0.50 0.00 0.00 46.19 45.06 3f4a s LEU 12 CO 0.22 0.22 1.18 -0.62 -1.32 0.00 0.00 176.35 176.03 3f4a s ASP 13 N -0.05 7.08 0.56 3.68 -1.08 -1.26 -0.76 116.67 124.84 3f4a s ASP 13 Ca -0.07 2.42 0.25 0.00 -0.52 0.00 0.00 52.55 54.63 3f4a s ASP 13 Cb -0.15 -2.63 1.60 0.00 -1.46 0.00 0.00 42.92 40.28 3f4a s ASP 13 CO 0.05 -0.30 2.20 1.55 0.52 0.00 0.00 175.17 179.18 3f4a h PRO 14 N 3.78 0.00 -0.59 4.34 0.13 -1.95 -1.01 132.00 136.69 3f4a h PRO 14 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 3f4a h PRO 14 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3f4a h PRO 14 CO 0.67 0.00 0.24 1.15 -0.23 0.00 0.00 178.00 179.83 3f4a h THR 15 N 0.00 1.21 -0.12 1.56 2.02 -1.97 -1.18 112.91 114.43 3f4a h THR 15 Ca 0.02 -0.65 -0.15 0.00 0.77 0.00 0.00 66.41 66.40 3f4a h THR 15 Cb 0.08 0.50 0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3f4a h THR 15 CO -0.00 0.26 -0.51 -0.33 0.37 0.00 0.00 175.52 175.31 3f4a h GLU 16 N 0.85 0.56 -0.69 6.66 5.08 -1.58 -2.35 114.58 123.10 3f4a h GLU 16 Ca 0.20 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3f4a h GLU 16 Cb 0.16 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3f4a h GLU 16 CO -0.02 1.06 0.42 1.25 -1.00 0.00 0.00 179.01 180.72 3f4a h LEU 17 N 0.18 0.82 -0.75 1.33 5.85 -1.09 -0.23 115.31 121.41 3f4a h LEU 17 Ca -0.03 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3f4a h LEU 17 Cb 1.14 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3f4a h LEU 17 CO 0.11 0.64 0.40 -0.74 -0.34 0.00 0.00 178.44 178.50 3f4a h HIS 18 N 0.94 1.05 -0.63 1.25 2.76 -1.19 -2.00 115.15 117.34 3f4a h HIS 18 Ca 0.25 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 3f4a h HIS 18 Cb -0.04 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.56 3f4a h HIS 18 CO -0.02 0.75 0.39 -0.09 -1.30 0.00 0.00 177.93 177.67 3f4a h ARG 19 N 1.05 0.85 -1.38 5.26 2.43 -1.03 -0.99 114.38 120.56 3f4a h ARG 19 Ca 0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3f4a h ARG 19 Cb 0.06 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3f4a h ARG 19 CO -0.04 0.59 0.00 0.91 -1.51 0.00 0.00 179.97 179.92 3f4a n TRP 20 N -4.61 0.00 0.00 2.20 7.02 -0.13 -1.22 117.44 120.69 3f4a n TRP 20 Ca 0.05 -0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3f4a n TRP 20 Cb 0.04 -0.09 0.00 0.00 -2.42 0.00 0.00 31.31 28.84 3f4a n TRP 20 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3f4a n GLN 22 N 0.79 0.00 0.18 -0.99 6.02 -0.38 -0.35 117.38 122.65 3f4a n GLN 22 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 3f4a n GLN 22 Cb 0.06 0.00 0.16 0.00 1.02 0.00 0.00 30.24 31.48 3f4a n GLN 22 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3f4a h GLU 23 N 0.00 0.00 0.00 -1.09 4.39 -1.44 -3.47 114.58 112.97 3f4a h GLU 23 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3f4a h GLU 23 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3f4a h GLU 23 CO 0.00 0.31 0.00 0.41 -1.16 0.00 0.00 179.01 178.57 3f4a n GLY 24 N 0.95 0.62 3.59 -3.84 0.00 0.53 -5.04 105.19 102.00 3f4a n GLY 24 Ca 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 3f4a n GLY 24 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3f4a s HIS 25 N -2.00 -0.16 0.95 1.61 0.00 -0.98 -4.89 115.29 109.81 3f4a s HIS 25 Ca 0.00 0.06 -0.11 0.00 -3.00 0.00 0.00 55.06 52.01 3f4a s HIS 25 Cb 0.00 0.53 0.16 0.00 -4.00 0.00 0.00 32.58 29.28 3f4a s HIS 25 CO 0.00 -0.34 1.10 0.95 -1.00 0.00 0.00 174.74 175.45 3f4a s THR 26 N -2.64 2.38 -0.10 -5.38 -4.23 0.92 -4.47 115.64 102.13 3f4a s THR 26 Ca 0.09 0.12 -0.27 0.00 -1.18 0.00 0.00 61.69 60.46 3f4a s THR 26 Cb -0.00 -2.34 -0.26 0.00 1.34 0.00 0.00 72.50 71.24 3f4a s THR 26 CO -0.05 -0.16 0.87 0.74 -0.54 0.00 0.00 174.62 175.48 3f4a h THR 27 N -1.86 1.67 0.05 3.99 2.02 -1.94 -2.70 112.91 114.14 3f4a h THR 27 Ca -0.49 -2.24 -0.07 0.00 0.77 0.00 0.00 66.41 64.38 3f4a h THR 27 Cb 1.28 3.17 0.01 0.00 -1.74 0.00 0.00 68.15 70.87 3f4a h THR 27 CO 0.48 0.60 -0.30 0.71 0.37 0.00 0.00 175.52 177.38 3f4a h THR 28 N -0.75 1.68 -0.17 3.16 1.35 -2.00 -3.36 112.91 112.81 3f4a h THR 28 Ca -0.03 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.45 3f4a h THR 28 Cb 1.10 3.27 0.00 0.00 -1.73 0.00 0.00 68.15 70.79 3f4a h THR 28 CO 0.04 0.64 0.00 0.18 -0.25 0.00 0.00 175.52 176.13 3f4a n LEU 29 N -4.43 2.64 -3.78 3.87 4.77 -1.26 -4.98 117.00 113.82 3f4a n LEU 29 Ca -0.11 -1.33 -0.25 0.00 -0.03 0.00 0.00 56.01 54.29 3f4a n LEU 29 Cb 0.60 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.62 3f4a n LEU 29 CO 0.40 0.55 0.04 0.54 -1.33 0.00 0.00 177.39 177.58 3f4a n ARG 30 N 0.90 -5.48 -3.29 3.23 1.74 -1.02 -4.96 116.66 107.78 3f4a n ARG 30 Ca 0.12 0.63 -0.26 0.00 -0.77 0.00 0.00 57.85 57.57 3f4a n ARG 30 Cb 0.43 -5.39 -0.02 0.00 -1.02 0.00 0.00 32.46 26.46 3f4a n ARG 30 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3f4a s GLU 31 N -6.27 3.53 0.79 5.56 2.02 -1.25 -4.62 118.70 118.45 3f4a s GLU 31 Ca 0.34 -0.17 -0.12 0.00 0.02 0.00 0.00 54.97 55.04 3f4a s GLU 31 Cb -0.17 -2.63 0.06 0.00 0.10 0.00 0.00 34.13 31.50 3f4a s GLU 31 CO 0.81 0.14 1.13 -1.25 0.02 0.00 0.00 175.26 176.11 3f4a s PRO 32 N -4.11 2.19 0.07 0.39 0.04 -1.26 -0.06 135.00 132.26 3f4a s PRO 32 Ca 0.42 0.34 -0.06 0.00 0.04 0.00 0.00 61.00 61.74 3f4a s PRO 32 Cb -0.10 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 3f4a s PRO 32 CO 0.35 -1.49 0.12 -0.59 0.04 0.00 0.00 177.00 175.43 3f4a s PHE 33 N -3.39 0.26 -0.14 0.56 -0.12 -1.26 -1.08 117.98 112.81 3f4a s PHE 33 Ca 0.61 -0.72 -0.06 0.00 -0.05 0.00 0.00 56.93 56.70 3f4a s PHE 33 Cb -0.12 -0.17 0.06 0.00 -0.63 0.00 0.00 43.02 42.16 3f4a s PHE 33 CO 0.51 -0.48 0.31 -1.14 -0.05 0.00 0.00 175.22 174.37 3f4a s GLN 34 N -3.77 0.25 0.14 1.99 2.00 0.26 -4.89 119.66 115.64 3f4a s GLN 34 Ca 0.05 0.71 -0.27 0.00 -2.00 0.00 0.00 55.36 53.85 3f4a s GLN 34 Cb 0.05 -0.02 -0.07 0.00 0.80 0.00 0.00 33.01 33.77 3f4a s GLN 34 CO -0.10 -0.20 0.84 0.08 -0.50 0.00 0.00 175.29 175.40 3f4a s VAL 35 N 1.74 4.43 -0.22 1.34 1.01 -1.26 -0.88 120.40 126.57 3f4a s VAL 35 Ca -0.06 1.83 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3f4a s VAL 35 Cb -0.10 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.13 3f4a s VAL 35 CO -0.10 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.70 3f4a s VAL 36 N -0.65 1.41 -0.26 2.92 1.01 0.34 -0.84 120.40 124.33 3f4a s VAL 36 Ca 0.40 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 3f4a s VAL 36 Cb -0.23 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 3f4a s VAL 36 CO 0.27 -0.06 0.65 -0.62 0.00 0.00 0.00 175.10 175.34 3f4a s ASP 37 N 1.46 6.59 -0.09 3.32 -1.08 0.47 -1.64 116.67 125.71 3f4a s ASP 37 Ca -0.04 0.70 0.14 0.00 -0.52 0.00 0.00 52.55 52.83 3f4a s ASP 37 Cb -0.18 -2.35 0.45 0.00 -1.46 0.00 0.00 42.92 39.38 3f4a s ASP 37 CO -0.07 -0.41 1.37 1.33 0.52 0.00 0.00 175.17 177.92 3f4a n VAL 38 N 5.24 1.63 -1.93 1.11 0.24 -0.33 -1.42 118.33 122.87 3f4a n VAL 38 Ca 0.00 -1.38 -0.38 0.00 -2.04 0.00 0.00 64.34 60.54 3f4a n VAL 38 Cb 0.49 0.15 0.02 0.00 -1.47 0.00 0.00 33.84 33.03 3f4a n VAL 38 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3f4a s ARG 39 N -1.85 3.37 0.00 7.34 0.52 -1.26 -0.68 118.95 126.40 3f4a s ARG 39 Ca 0.34 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 57.67 3f4a s ARG 39 Cb 0.24 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3f4a s ARG 39 CO 0.14 -0.96 0.00 0.41 0.02 0.00 0.00 175.30 174.91 3f4a n GLY 40 N 0.64 0.24 0.30 -3.53 0.00 -1.26 -4.32 105.19 97.26 3f4a n GLY 40 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3f4a n GLY 40 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3f4a h SER 41 N 0.00 0.45 -0.69 1.61 4.64 -2.04 -2.61 113.55 114.91 3f4a h SER 41 Ca 0.00 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 3f4a h SER 41 Cb 0.00 -0.11 -0.12 0.00 -0.31 0.00 0.00 62.40 61.85 3f4a h SER 41 CO 0.00 0.35 0.26 -0.90 -0.87 0.00 0.00 176.83 175.68 3f4a n ASP 42 N -4.45 4.59 -3.35 4.97 5.75 -1.26 -5.09 116.55 117.71 3f4a n ASP 42 Ca 0.03 -3.11 -0.31 0.00 -0.01 0.00 0.00 54.79 51.38 3f4a n ASP 42 Cb 0.09 -0.73 -0.03 0.00 -1.03 0.00 0.00 41.12 39.42 3f4a n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3f4a n TYR 43 N -0.12 1.85 -0.58 2.11 9.36 -0.99 -5.00 117.16 123.79 3f4a n TYR 43 Ca 0.38 -2.20 0.00 0.00 3.32 0.00 0.00 57.90 59.40 3f4a n TYR 43 Cb 1.31 -1.89 0.00 0.00 -0.63 0.00 0.00 39.34 38.13 3f4a n TYR 43 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3f4a n GLY 45 N 3.94 0.28 0.00 2.98 0.00 -1.26 -4.73 105.19 106.40 3f4a n GLY 45 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 3f4a n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f4a n GLY 46 N -2.00 4.60 3.69 -0.02 0.00 -1.10 -0.96 105.19 109.40 3f4a n GLY 46 Ca 0.00 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.64 3f4a n GLY 46 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3f4a s HIS 47 N -2.01 0.21 0.08 1.61 -0.00 -0.19 -4.94 115.29 110.05 3f4a s HIS 47 Ca 0.00 -0.62 -0.30 0.00 -0.00 0.00 0.00 55.06 54.14 3f4a s HIS 47 Cb 0.00 0.39 -0.05 0.00 -0.00 0.00 0.00 32.58 32.92 3f4a s HIS 47 CO 0.00 -1.12 0.97 0.42 -0.00 0.00 0.00 174.74 175.01 3f4a s ILE 48 N -3.80 4.59 0.29 -5.38 1.01 -1.26 -0.36 121.20 116.28 3f4a s ILE 48 Ca 0.19 2.06 -0.30 0.00 0.00 0.00 0.00 60.65 62.60 3f4a s ILE 48 Cb -0.03 -4.32 -0.12 0.00 0.01 0.00 0.00 42.46 38.01 3f4a s ILE 48 CO 0.09 0.27 1.58 1.17 0.00 0.00 0.00 174.94 178.06 3f4a n LYS 49 N 3.08 2.65 -0.87 2.79 3.00 -0.33 -2.26 118.16 126.22 3f4a n LYS 49 Ca 0.03 0.94 0.00 0.00 -0.00 0.00 0.00 58.31 59.28 3f4a n LYS 49 Cb 0.50 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.81 3f4a n LYS 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3f4a n ASP 50 N 2.14 -0.93 -4.69 3.14 8.00 -1.26 -4.98 116.55 117.97 3f4a n ASP 50 Ca 0.09 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.29 3f4a n ASP 50 Cb 0.36 -0.98 0.15 0.00 -0.02 0.00 0.00 41.12 40.64 3f4a n ASP 50 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3f4a s GLY 51 N -2.00 1.61 -0.02 0.44 0.00 -0.96 -4.72 107.32 101.68 3f4a s GLY 51 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.70 3f4a s GLY 51 CO 0.00 0.49 0.01 -0.98 0.00 0.00 0.00 173.10 172.62 3f4a s TRP 52 N -2.86 3.12 -0.35 1.90 0.51 -0.02 -4.98 118.94 116.26 3f4a s TRP 52 Ca 0.64 0.12 -0.07 0.00 -2.12 0.00 0.00 56.10 54.67 3f4a s TRP 52 Cb -0.19 -1.70 0.04 0.00 -0.81 0.00 0.00 33.47 30.81 3f4a s TRP 52 CO 0.58 0.47 0.13 -1.58 -0.51 0.00 0.00 176.95 176.04 3f4a s HIS 53 N -1.06 3.27 -0.36 -1.98 5.65 -1.26 -0.40 115.29 119.16 3f4a s HIS 53 Ca 0.19 -1.41 0.01 0.00 0.25 0.00 0.00 55.06 54.09 3f4a s HIS 53 Cb -0.12 -2.37 0.11 0.00 -1.18 0.00 0.00 32.58 29.02 3f4a s HIS 53 CO 0.09 -0.74 0.15 0.71 -0.65 0.00 0.00 174.74 174.30 3f4a s TYR 54 N 1.41 1.91 0.30 3.88 2.02 -0.50 -4.98 117.35 121.39 3f4a s TYR 54 Ca -0.01 -2.05 -0.30 0.00 -0.37 0.00 0.00 57.07 54.34 3f4a s TYR 54 Cb -0.20 -1.83 -0.12 0.00 -0.40 0.00 0.00 41.96 39.41 3f4a s TYR 54 CO 0.03 -0.85 1.57 0.00 -1.57 0.00 0.00 175.55 174.73 3f4a n ALA 55 N 4.34 2.40 -0.23 3.71 0.00 -1.26 -4.21 120.51 125.25 3f4a n ALA 55 Ca 0.02 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 3f4a n ALA 55 Cb 0.39 -2.44 0.21 0.00 0.00 0.00 0.00 19.45 17.61 3f4a n ALA 55 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3f4a h TYR 56 N 4.52 1.00 -0.96 0.00 3.20 -1.16 -0.06 116.97 123.50 3f4a h TYR 56 Ca -0.47 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.46 3f4a h TYR 56 Cb 1.23 -0.33 -0.06 0.00 1.54 0.00 0.00 36.73 39.11 3f4a h TYR 56 CO 0.57 0.66 0.62 0.66 -1.64 0.00 0.00 178.16 179.03 3f4a h SER 57 N 1.05 1.00 0.01 -2.11 4.64 -1.89 -0.50 113.55 115.75 3f4a h SER 57 Ca 0.28 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.33 3f4a h SER 57 Cb -0.05 -0.21 0.02 0.00 -0.31 0.00 0.00 62.40 61.85 3f4a h SER 57 CO -0.05 0.66 -1.05 -0.09 -0.87 0.00 0.00 176.83 175.42 3f4a h ARG 58 N 1.15 0.70 -0.84 4.77 2.43 -1.65 -2.53 114.38 118.41 3f4a h ARG 58 Ca 0.40 -0.76 0.07 0.00 -0.81 0.00 0.00 59.98 58.88 3f4a h ARG 58 Cb 0.11 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 3f4a h ARG 58 CO -0.16 1.33 0.55 -0.07 -1.51 0.00 0.00 179.97 180.12 3f4a h LEU 59 N 0.39 0.80 -0.11 3.80 3.38 -0.56 0.27 115.31 123.27 3f4a h LEU 59 Ca -0.13 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.66 3f4a h LEU 59 Cb 1.71 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.31 3f4a h LEU 59 CO 0.21 0.50 -0.66 0.50 0.09 0.00 0.00 178.44 179.07 3f4a h LYS 60 N 0.90 0.65 -0.06 1.13 3.64 -1.11 -3.34 116.57 118.38 3f4a h LYS 60 Ca 0.37 -0.55 -0.18 0.00 -1.27 0.00 0.00 60.65 59.02 3f4a h LYS 60 Cb 0.28 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3f4a h LYS 60 CO -0.14 1.16 -0.75 1.96 -2.27 0.00 0.00 179.45 179.42 3f4a h GLN 61 N 0.31 0.34 -3.80 1.90 4.20 -0.96 -3.42 115.11 113.67 3f4a h GLN 61 Ca -0.05 -0.29 -0.63 0.00 0.06 0.00 0.00 58.65 57.74 3f4a h GLN 61 Cb 1.31 0.06 -0.40 0.00 0.30 0.00 0.00 27.48 28.75 3f4a h GLN 61 CO 0.14 0.94 -0.71 0.34 -0.67 0.00 0.00 178.83 178.86 3f4a s ASP 62 N -6.96 4.28 0.52 1.46 -1.08 0.03 -4.98 116.67 109.94 3f4a s ASP 62 Ca -0.05 -2.32 0.24 0.00 -0.52 0.00 0.00 52.55 49.90 3f4a s ASP 62 Cb 0.11 -1.34 1.36 0.00 -1.46 0.00 0.00 42.92 41.59 3f4a s ASP 62 CO 0.83 -0.33 1.99 1.55 0.52 0.00 0.00 175.17 179.73 3f4a h PRO 63 N 7.30 0.03 -0.10 4.34 0.13 -1.83 -0.11 132.00 141.77 3f4a h PRO 63 Ca -0.06 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.99 3f4a h PRO 63 Cb 0.97 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 3f4a h PRO 63 CO 0.54 0.02 -0.26 1.49 -0.23 0.00 0.00 178.00 179.57 3f4a h GLU 64 N 0.04 0.18 -0.20 0.86 4.81 -1.93 0.17 114.58 118.50 3f4a h GLU 64 Ca 0.25 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.26 3f4a h GLU 64 Cb 0.97 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3f4a h GLU 64 CO -0.01 0.43 -0.54 -0.92 -0.73 0.00 0.00 179.01 177.24 3f4a h TYR 65 N 0.16 0.93 -0.52 0.92 3.20 -1.35 -0.11 116.97 120.19 3f4a h TYR 65 Ca 0.03 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 3f4a h TYR 65 Cb 0.55 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3f4a h TYR 65 CO 0.01 1.16 0.27 1.25 -1.64 0.00 0.00 178.16 179.21 3f4a h LEU 66 N 0.43 0.67 -1.05 2.82 5.85 -1.16 -1.18 115.31 121.69 3f4a h LEU 66 Ca -0.01 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3f4a h LEU 66 Cb 1.15 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 3f4a h LEU 66 CO 0.12 0.59 0.64 0.03 -0.34 0.00 0.00 178.44 179.47 3f4a h ARG 67 N 0.70 1.22 0.22 1.25 3.08 -0.56 -1.50 114.38 118.78 3f4a h ARG 67 Ca 0.18 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3f4a h ARG 67 Cb 0.08 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.86 3f4a h ARG 67 CO -0.03 0.81 -0.10 1.49 -1.07 0.00 0.00 179.97 181.06 3f4a h GLU 68 N 1.25 -0.28 -0.40 0.04 4.81 -0.53 -0.04 114.58 119.44 3f4a h GLU 68 Ca 0.37 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.70 3f4a h GLU 68 Cb -0.05 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.32 3f4a h GLU 68 CO -0.10 -0.19 -0.03 1.25 -0.73 0.00 0.00 179.01 179.21 3f4a h LEU 69 N -0.29 -0.23 -0.24 1.64 5.85 -0.96 0.18 115.31 121.26 3f4a h LEU 69 Ca -0.03 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3f4a h LEU 69 Cb 0.22 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3f4a h LEU 69 CO 0.05 -0.07 0.14 0.50 -0.34 0.00 0.00 178.44 178.71 3f4a h LYS 70 N 0.07 0.32 -0.84 1.25 3.64 -1.04 -0.08 116.57 119.89 3f4a h LYS 70 Ca 0.19 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 3f4a h LYS 70 Cb 0.29 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3f4a h LYS 70 CO -0.35 0.28 0.45 0.45 -2.27 0.00 0.00 179.45 178.00 3f4a h HIS 71 N 0.28 1.16 -0.45 1.91 3.86 -0.70 -0.01 115.15 121.20 3f4a h HIS 71 Ca 0.08 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3f4a h HIS 71 Cb 0.04 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 3f4a h HIS 71 CO -0.04 0.82 0.11 0.00 0.86 0.00 0.00 177.93 179.67 3f4a h ARG 72 N 1.17 0.73 -0.45 2.45 3.08 -0.51 -1.22 114.38 119.63 3f4a h ARG 72 Ca 0.29 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3f4a h ARG 72 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3f4a h ARG 72 CO -0.05 0.72 0.26 -0.07 -1.07 0.00 0.00 179.97 179.77 3f4a h LEU 73 N 0.60 0.55 -0.96 3.04 3.38 -0.65 -2.23 115.31 119.05 3f4a h LEU 73 Ca 0.14 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3f4a h LEU 73 Cb 0.33 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3f4a h LEU 73 CO 0.00 0.46 -0.29 -0.07 0.09 0.00 0.00 178.44 178.64 3f4a h LEU 74 N 0.60 0.42 -0.71 1.67 3.38 -0.84 -0.86 115.31 118.95 3f4a h LEU 74 Ca 0.16 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3f4a h LEU 74 Cb 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3f4a h LEU 74 CO -0.03 0.69 -0.35 -0.33 0.09 0.00 0.00 178.44 178.51 3f4a h GLU 75 N 0.36 0.59 -0.44 1.13 5.08 -1.14 -1.86 114.58 118.31 3f4a h GLU 75 Ca 0.05 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 3f4a h GLU 75 Cb 0.69 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3f4a h GLU 75 CO 0.05 0.86 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.48 3f4a h LYS 76 N 0.50 0.89 -0.43 2.33 3.64 -1.04 -2.83 116.57 119.62 3f4a h LYS 76 Ca 0.05 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 3f4a h LYS 76 Cb 0.84 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 3f4a h LYS 76 CO 0.07 1.02 0.11 0.37 -2.27 0.00 0.00 179.45 178.75 3f4a h GLN 77 N 0.77 0.64 0.00 1.90 -0.00 -0.91 -0.78 115.11 116.73 3f4a h GLN 77 Ca 0.10 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.65 58.62 3f4a h GLN 77 Cb 0.77 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 28.14 3f4a h GLN 77 CO 0.06 0.58 -0.09 0.00 0.00 0.00 0.00 178.83 179.38 3f4a h ALA 78 N 1.50 1.25 -0.13 3.38 0.00 -1.10 -2.72 119.26 121.44 3f4a h ALA 78 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3f4a h ALA 78 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3f4a h ALA 78 CO -0.00 0.11 0.00 -0.25 0.00 0.00 0.00 179.25 179.11 3f4a n ASP 79 N -3.56 1.60 -1.92 0.00 8.00 -0.30 -4.95 116.55 115.41 3f4a n ASP 79 Ca -0.02 -1.66 -0.08 0.00 0.71 0.00 0.00 54.79 53.75 3f4a n ASP 79 Cb 0.22 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.21 3f4a n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f4a n GLY 80 N 1.13 3.66 3.38 0.44 0.00 -1.03 -5.09 105.19 107.68 3f4a n GLY 80 Ca 0.17 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 3f4a n GLY 80 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3f4a s ARG 81 N -2.51 3.45 0.78 1.61 1.70 -1.26 -5.00 118.95 117.71 3f4a s ARG 81 Ca 0.13 -0.60 0.00 0.00 -0.47 0.00 0.00 55.73 54.79 3f4a s ARG 81 Cb 0.01 -3.23 0.00 0.00 -0.57 0.00 0.00 34.95 31.16 3f4a s ARG 81 CO 0.09 -0.24 0.00 0.41 -1.08 0.00 0.00 175.30 174.48 3f4a n GLY 82 N 4.87 -1.89 3.80 3.88 0.00 -1.26 -4.26 105.19 110.33 3f4a n GLY 82 Ca -0.16 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.87 3f4a n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f4a s ALA 83 N -1.36 3.03 -0.10 4.61 0.00 -1.26 -4.89 121.76 121.79 3f4a s ALA 83 Ca 0.00 0.54 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 3f4a s ALA 83 Cb 0.00 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3f4a s ALA 83 CO 0.00 -0.06 0.67 -1.17 0.00 0.00 0.00 175.76 175.20 3f4a s LEU 84 N -2.97 4.27 -0.47 0.00 2.96 -0.63 -4.14 118.68 117.70 3f4a s LEU 84 Ca 0.61 1.08 -0.22 0.00 -0.22 0.00 0.00 54.13 55.38 3f4a s LEU 84 Cb -0.15 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.56 3f4a s LEU 84 CO 0.20 -0.14 0.72 0.20 -1.32 0.00 0.00 176.35 176.00 3f4a s ASN 85 N 0.86 6.33 -0.27 3.68 0.01 -0.24 -1.23 114.94 124.09 3f4a s ASN 85 Ca 0.35 -0.37 -0.11 0.00 -0.71 0.00 0.00 52.86 52.02 3f4a s ASN 85 Cb -0.17 -2.35 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 3f4a s ASN 85 CO 0.15 -0.90 0.18 -0.69 -1.51 0.00 0.00 177.10 174.33 3f4a s VAL 86 N 3.08 5.29 -0.37 1.60 1.01 -0.25 -0.58 120.40 130.18 3f4a s VAL 86 Ca 0.24 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.34 3f4a s VAL 86 Cb -0.14 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 32.81 3f4a s VAL 86 CO 0.19 0.28 0.15 -0.63 0.00 0.00 0.00 175.10 175.09 3f4a s ILE 87 N 1.58 3.49 0.26 2.22 1.09 -0.05 -0.60 121.20 129.18 3f4a s ILE 87 Ca 0.07 -1.62 -0.21 0.00 -1.10 0.00 0.00 60.65 57.79 3f4a s ILE 87 Cb -0.15 -3.18 -0.09 0.00 -1.06 0.00 0.00 42.46 37.98 3f4a s ILE 87 CO 0.09 -0.44 0.79 -0.36 -0.10 0.00 0.00 174.94 174.92 3f4a s PHE 88 N 1.27 3.64 0.13 3.97 0.08 -0.01 -0.50 117.98 126.55 3f4a s PHE 88 Ca 0.02 1.49 -0.18 0.00 0.12 0.00 0.00 56.93 58.38 3f4a s PHE 88 Cb -0.22 -2.70 0.04 0.00 -0.57 0.00 0.00 43.02 39.58 3f4a s PHE 88 CO -0.01 0.28 0.45 -3.38 -0.10 0.00 0.00 175.22 172.46 3f4a s HIS 89 N -1.59 -0.30 0.00 0.36 -3.43 -0.65 -0.62 115.29 109.06 3f4a s HIS 89 Ca 0.46 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 3f4a s HIS 89 Cb -0.17 0.34 0.00 0.00 -1.43 0.00 0.00 32.58 31.32 3f4a s HIS 89 CO 0.21 -0.73 0.00 0.00 -2.00 0.00 0.00 174.74 172.22 3f4a n LEU 92 N -0.81 0.00 -2.27 0.00 4.77 -1.26 -1.00 117.00 116.42 3f4a n LEU 92 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 3f4a n LEU 92 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3f4a n LEU 92 CO 0.00 0.00 -0.19 -1.20 -1.33 0.00 0.00 177.39 174.67 3f4a n SER 93 N -0.52 -4.62 -0.08 -1.43 7.64 -1.26 -3.71 113.62 109.64 3f4a n SER 93 Ca 0.00 0.16 -0.12 0.00 1.01 0.00 0.00 58.87 59.91 3f4a n SER 93 Cb 0.24 -3.93 -0.15 0.00 -1.01 0.00 0.00 64.21 59.36 3f4a n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f4a n GLN 94 N -2.75 0.68 0.05 1.43 6.02 -1.26 -4.55 117.38 116.99 3f4a n GLN 94 Ca -0.18 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 3f4a n GLN 94 Cb 0.62 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 30.29 3f4a n GLN 94 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3f4a n GLN 95 N -2.98 0.00 -0.22 -1.09 7.27 -1.26 -4.77 117.38 114.34 3f4a n GLN 95 Ca -0.32 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.66 3f4a n GLN 95 Cb 1.09 -0.16 0.03 0.00 2.41 0.00 0.00 30.24 33.61 3f4a n GLN 95 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3f4a h ARG 96 N 0.00 1.06 0.07 3.69 3.08 -1.97 -0.58 114.38 119.72 3f4a h ARG 96 Ca 0.00 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 3f4a h ARG 96 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.95 3f4a h ARG 96 CO 0.00 1.01 -0.03 0.78 -1.07 0.00 0.00 179.97 180.66 3f4a h GLY 97 N 0.96 -0.09 1.01 0.04 0.00 -1.86 0.60 103.07 103.73 3f4a h GLY 97 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 3f4a h GLY 97 CO 0.02 -0.03 0.48 -2.55 0.00 0.00 0.00 176.54 174.46 3f4a h PRO 98 N -0.27 1.12 -0.23 4.80 0.11 -1.80 -1.45 132.00 134.29 3f4a h PRO 98 Ca -0.01 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 3f4a h PRO 98 Cb 0.24 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3f4a h PRO 98 CO 0.01 0.80 -0.08 0.77 -0.21 0.00 0.00 178.00 179.29 3f4a h SER 99 N 1.13 0.34 -0.30 -2.05 0.02 -0.73 -2.69 113.55 109.27 3f4a h SER 99 Ca 0.29 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.09 3f4a h SER 99 Cb -0.02 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3f4a h SER 99 CO -0.05 0.47 -0.15 0.00 -1.14 0.00 0.00 176.83 175.96 3f4a h ALA 100 N 1.57 0.42 0.00 3.77 0.00 -0.63 -1.38 119.26 123.02 3f4a h ALA 100 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3f4a h ALA 100 Cb 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3f4a h ALA 100 CO 0.02 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.59 3f4a n ALA 101 N -2.44 0.81 0.00 0.00 0.00 -0.57 -1.47 120.51 116.84 3f4a n ALA 101 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3f4a n ALA 101 Cb 0.38 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3f4a n ALA 101 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3f4a n LEU 103 N 0.45 0.00 -0.07 0.00 7.94 -0.52 -0.80 117.00 124.00 3f4a n LEU 103 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 3f4a n LEU 103 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 3f4a n LEU 103 CO 0.00 0.00 0.62 0.25 -1.11 0.00 0.00 177.39 177.15 3f4a h LEU 104 N 0.00 0.47 -0.67 -1.96 5.85 -1.54 -3.04 115.31 114.43 3f4a h LEU 104 Ca 0.00 -0.45 0.13 0.00 0.84 0.00 0.00 57.88 58.39 3f4a h LEU 104 Cb 0.00 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 3f4a h LEU 104 CO 0.00 0.82 0.20 0.25 -0.34 0.00 0.00 178.44 179.37 3f4a h LEU 105 N 0.12 0.11 -1.93 2.25 5.85 -1.22 -1.02 115.31 119.47 3f4a h LEU 105 Ca 0.04 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3f4a h LEU 105 Cb 0.67 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3f4a h LEU 105 CO 0.04 0.05 -0.04 0.03 -0.34 0.00 0.00 178.44 178.18 3f4a h ARG 106 N 0.33 0.00 -0.00 1.25 3.08 -1.80 -2.35 114.38 114.90 3f4a h ARG 106 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 3f4a h ARG 106 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3f4a h ARG 106 CO -0.41 0.04 -0.67 -1.13 -1.07 0.00 0.00 179.97 176.73 3f4a n SER 107 N -3.20 0.79 -4.67 7.04 3.41 -0.43 -4.86 113.62 111.70 3f4a n SER 107 Ca -0.01 -0.63 -0.40 0.00 -0.26 0.00 0.00 58.87 57.57 3f4a n SER 107 Cb 0.24 0.53 -0.06 0.00 -0.26 0.00 0.00 64.21 64.67 3f4a n SER 107 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3f4a s LEU 108 N -2.94 4.19 1.03 1.04 1.43 -0.88 -5.07 118.68 117.47 3f4a s LEU 108 Ca 0.11 0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 53.95 3f4a s LEU 108 Cb 0.17 -2.93 0.24 0.00 0.03 0.00 0.00 46.19 43.70 3f4a s LEU 108 CO 0.75 -0.23 1.32 1.51 0.23 0.00 0.00 176.35 179.92 3f4a s ASP 109 N 1.08 2.48 0.12 2.29 1.47 -1.26 -4.67 116.67 118.18 3f4a s ASP 109 Ca 0.31 0.20 -0.27 0.00 1.18 0.00 0.00 52.55 53.97 3f4a s ASP 109 Cb -0.16 -0.17 -0.06 0.00 -0.34 0.00 0.00 42.92 42.19 3f4a s ASP 109 CO 0.12 -3.12 1.63 0.74 0.68 0.00 0.00 175.17 175.21 3f4a h THR 110 N -1.91 0.39 -0.32 2.11 2.02 -1.99 0.59 112.91 113.80 3f4a h THR 110 Ca -0.44 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 3f4a h THR 110 Cb 1.22 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3f4a h THR 110 CO 0.31 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.96 3f4a h ALA 111 N 0.31 0.99 -0.22 6.16 0.00 -2.00 -2.69 119.26 121.82 3f4a h ALA 111 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3f4a h ALA 111 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3f4a h ALA 111 CO -0.21 0.60 0.10 0.93 0.00 0.00 0.00 179.25 180.67 3f4a h GLU 112 N 0.54 0.32 -0.54 0.00 5.08 -1.76 -2.12 114.58 116.09 3f4a h GLU 112 Ca 0.08 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3f4a h GLU 112 Cb 0.70 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3f4a h GLU 112 CO 0.05 0.34 0.36 1.25 -1.00 0.00 0.00 179.01 180.01 3f4a h LEU 113 N 0.22 0.57 -2.35 1.33 5.85 -0.75 -0.54 115.31 119.64 3f4a h LEU 113 Ca 0.08 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3f4a h LEU 113 Cb 0.13 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3f4a h LEU 113 CO -0.01 0.40 -0.02 0.77 -0.34 0.00 0.00 178.44 179.25 3f4a h SER 114 N 0.67 0.00 -0.16 1.25 4.64 -1.05 -2.07 113.55 116.83 3f4a h SER 114 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3f4a h SER 114 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3f4a h SER 114 CO -0.05 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.47 3f4a n ARG 115 N -3.20 1.85 -4.12 4.77 1.74 -0.21 -4.89 116.66 112.60 3f4a n ARG 115 Ca -0.02 -1.27 -0.14 0.00 -0.77 0.00 0.00 57.85 55.66 3f4a n ARG 115 Cb 0.17 -1.43 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 3f4a n ARG 115 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f4a s ARG 117 N -2.23 2.36 -0.11 0.00 0.52 -0.37 -4.87 118.95 114.26 3f4a s ARG 117 Ca -0.02 -0.61 -0.05 0.00 -0.52 0.00 0.00 55.73 54.53 3f4a s ARG 117 Cb -0.06 -2.02 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 3f4a s ARG 117 CO -0.00 -0.09 0.09 -0.51 0.02 0.00 0.00 175.30 174.80 3f4a s LEU 118 N 1.06 4.06 0.08 2.53 1.43 -1.23 -1.09 118.68 125.53 3f4a s LEU 118 Ca -0.04 0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.42 3f4a s LEU 118 Cb -0.15 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3f4a s LEU 118 CO -0.04 0.38 -0.10 0.26 0.23 0.00 0.00 176.35 177.08 3f4a s TRP 119 N -0.88 1.01 -0.08 0.29 0.52 0.23 -3.01 118.94 117.02 3f4a s TRP 119 Ca 0.14 -0.59 0.05 0.00 0.02 0.00 0.00 56.10 55.71 3f4a s TRP 119 Cb -0.12 -0.57 -0.00 0.00 -1.15 0.00 0.00 33.47 31.63 3f4a s TRP 119 CO 0.03 -0.01 -0.24 0.08 0.02 0.00 0.00 176.95 176.83 3f4a s VAL 120 N -2.04 2.05 -0.25 4.03 1.01 -0.55 -0.83 120.40 123.83 3f4a s VAL 120 Ca 0.01 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.67 3f4a s VAL 120 Cb -0.05 -1.76 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3f4a s VAL 120 CO 0.00 0.56 1.29 -0.22 0.00 0.00 0.00 175.10 176.74 3f4a s LEU 121 N 0.14 3.99 0.16 3.92 2.96 0.21 -0.99 118.68 129.07 3f4a s LEU 121 Ca -0.13 1.39 -0.31 0.00 -0.22 0.00 0.00 54.13 54.86 3f4a s LEU 121 Cb -0.16 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 3f4a s LEU 121 CO 0.07 -0.97 1.74 -0.60 -1.32 0.00 0.00 176.35 175.27 3f4a s ARG 122 N 3.94 4.15 0.00 1.98 6.06 0.06 -2.17 118.95 132.96 3f4a s ARG 122 Ca 0.56 2.55 0.00 0.00 -2.50 0.00 0.00 55.73 56.34 3f4a s ARG 122 Cb -0.19 -3.33 0.00 0.00 0.06 0.00 0.00 34.95 31.49 3f4a s ARG 122 CO 0.20 -0.77 0.00 0.41 -2.50 0.00 0.00 175.30 172.64 3f4a n GLY 123 N 4.05 1.40 7.00 8.12 0.00 -1.25 -4.43 105.19 120.08 3f4a n GLY 123 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3f4a n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f4a n GLY 124 N -2.00 0.16 0.22 -0.02 0.00 -0.92 -1.92 105.19 100.71 3f4a n GLY 124 Ca 0.00 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.18 3f4a n GLY 124 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3f4a h PHE 125 N 0.00 0.00 -0.38 1.61 3.57 -1.41 -2.47 116.94 117.86 3f4a h PHE 125 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 3f4a h PHE 125 Cb 0.00 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 3f4a h PHE 125 CO 0.00 0.21 0.06 1.03 -2.23 0.00 0.00 178.31 177.38 3f4a h SER 126 N 0.00 -0.03 -0.26 0.41 0.87 -1.81 0.06 113.55 112.79 3f4a h SER 126 Ca -0.00 0.07 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 3f4a h SER 126 Cb 0.75 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 3f4a h SER 126 CO 0.03 0.02 -0.51 -0.09 -0.53 0.00 0.00 176.83 175.75 3f4a h ARG 127 N 0.17 0.81 -0.21 2.24 2.43 -1.15 -2.82 114.38 115.86 3f4a h ARG 127 Ca 0.18 -0.52 0.05 0.00 -0.81 0.00 0.00 59.98 58.88 3f4a h ARG 127 Cb 0.23 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.79 3f4a h ARG 127 CO -0.26 1.15 -0.12 2.35 -1.51 0.00 0.00 179.97 181.58 3f4a h TRP 128 N 0.57 -0.30 -0.97 2.20 2.91 -1.15 -2.42 115.95 116.79 3f4a h TRP 128 Ca 0.01 0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.21 3f4a h TRP 128 Cb 1.12 0.17 -0.09 0.00 -0.51 0.00 0.00 29.16 29.84 3f4a h TRP 128 CO 0.08 -0.19 0.58 0.37 -1.03 0.00 0.00 178.44 178.25 3f4a h GLN 129 N -0.11 0.81 0.00 2.65 -0.00 -0.98 0.26 115.11 117.74 3f4a h GLN 129 Ca 0.12 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.67 3f4a h GLN 129 Cb 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 27.48 27.58 3f4a h GLN 129 CO -0.28 0.53 -0.21 0.66 0.00 0.00 0.00 178.83 179.54 3f4a h SER 130 N 0.83 0.00 0.00 -0.69 4.64 -1.17 -1.41 113.55 115.75 3f4a h SER 130 Ca 0.52 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.64 3f4a h SER 130 Cb 0.67 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 3f4a h SER 130 CO -0.33 0.21 -1.76 0.55 -0.87 0.00 0.00 176.83 174.64 3f4a n VAL 131 N -4.15 0.76 -0.08 0.95 3.14 -0.92 -4.77 118.33 113.27 3f4a n VAL 131 Ca -0.02 -0.42 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 3f4a n VAL 131 Cb 0.28 -0.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 3f4a n VAL 131 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 3f4a n TYR 132 N -2.54 0.00 -0.12 1.45 4.01 0.87 -4.79 117.16 116.04 3f4a n TYR 132 Ca -0.20 -0.21 0.04 0.00 -0.16 0.00 0.00 57.90 57.37 3f4a n TYR 132 Cb 0.83 -0.02 0.36 0.00 -0.31 0.00 0.00 39.34 40.20 3f4a n TYR 132 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3f4a h GLY 133 N 0.00 0.82 1.86 2.72 0.00 -1.27 -1.67 103.07 105.53 3f4a h GLY 133 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3f4a h GLY 133 CO 0.00 0.25 0.00 1.22 0.00 0.00 0.00 176.54 178.01 3f4a n ASP 134 N -4.46 0.00 -4.32 0.19 9.92 -1.26 -4.66 116.55 111.95 3f4a n ASP 134 Ca 0.07 0.30 -0.46 0.00 -0.53 0.00 0.00 54.79 54.17 3f4a n ASP 134 Cb 0.12 -0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.13 3f4a n ASP 134 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3f4a s ASP 135 N -2.86 6.37 0.42 -2.24 -1.08 -0.63 -4.91 116.67 111.74 3f4a s ASP 135 Ca 0.18 -2.05 0.28 0.00 -0.52 0.00 0.00 52.55 50.44 3f4a s ASP 135 Cb 0.18 -2.21 1.54 0.00 -1.46 0.00 0.00 42.92 40.97 3f4a s ASP 135 CO 0.48 -0.78 1.87 -0.33 0.52 0.00 0.00 175.17 176.93 3f4a h GLU 136 N 8.57 0.00 0.00 4.34 5.08 -1.83 0.27 114.58 131.01 3f4a h GLU 136 Ca -0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3f4a h GLU 136 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3f4a h GLU 136 CO 0.96 0.00 -0.15 0.66 -1.00 0.00 0.00 179.01 179.48 3f4a h SER 137 N 0.00 0.00 0.00 1.42 4.64 -1.94 -3.34 113.55 114.33 3f4a h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3f4a h SER 137 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3f4a h SER 137 CO 0.00 0.15 -0.35 1.33 -0.87 0.00 0.00 176.83 177.09 3f4a n VAL 138 N -3.20 0.00 -4.63 0.95 0.24 -0.77 -4.90 118.33 106.01 3f4a n VAL 138 Ca 0.02 -0.29 -0.28 0.00 -2.04 0.00 0.00 64.34 61.74 3f4a n VAL 138 Cb 0.48 0.80 -0.17 0.00 -1.47 0.00 0.00 33.84 33.48 3f4a n VAL 138 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3f4a s THR 139 N -1.28 1.55 -0.07 3.34 2.01 0.01 -1.19 115.64 120.01 3f4a s THR 139 Ca 0.00 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 3f4a s THR 139 Cb 0.00 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 3f4a s THR 139 CO 0.00 0.45 0.02 0.00 -0.69 0.00 0.00 174.62 174.40 3f4a s ALA 140 N 0.79 3.36 -1.02 7.40 0.00 0.51 -4.25 121.76 128.55 3f4a s ALA 140 Ca -0.11 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3f4a s ALA 140 Cb -0.16 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.45 3f4a s ALA 140 CO 0.01 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.79 3f4a n GLY 141 N 1.97 0.65 3.74 0.00 0.00 -1.26 -1.02 105.19 109.26 3f4a n GLY 141 Ca -0.18 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3f4a n GLY 141 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3f4a s TYR 142 N -2.45 3.20 -0.46 1.61 5.04 -1.26 -2.70 117.35 120.34 3f4a s TYR 142 Ca 0.00 1.22 0.04 0.00 -2.44 0.00 0.00 57.07 55.88 3f4a s TYR 142 Cb 0.00 -3.64 0.12 0.00 0.35 0.00 0.00 41.96 38.79 3f4a s TYR 142 CO 0.00 -1.99 0.20 -0.51 -1.34 0.00 0.00 175.55 171.92 3f4a s LEU 143 N -0.35 4.09 0.39 6.97 1.43 -0.13 -4.89 118.68 126.19 3f4a s LEU 143 Ca 0.56 -2.70 0.12 0.00 -1.03 0.00 0.00 54.13 51.08 3f4a s LEU 143 Cb -0.38 -1.52 0.93 0.00 0.03 0.00 0.00 46.19 45.26 3f4a s LEU 143 CO 0.40 -0.28 1.88 -0.65 0.23 0.00 0.00 176.35 177.94 3f4a h PRO 144 N 6.85 0.54 -0.69 1.29 0.11 -1.93 -0.92 132.00 137.25 3f4a h PRO 144 Ca -0.06 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.14 3f4a h PRO 144 Cb 0.93 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 3f4a h PRO 144 CO 0.61 0.36 0.46 -0.44 -0.21 0.00 0.00 178.00 178.78 3f4a h ASP 145 N 0.56 0.36 0.73 -2.05 3.32 -1.97 -0.79 116.42 116.57 3f4a h ASP 145 Ca 0.43 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3f4a h ASP 145 Cb 0.83 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.32 3f4a h ASP 145 CO -0.17 0.20 0.00 0.18 -1.72 0.00 0.00 179.24 177.73 3f4a n LEU 146 N -4.47 0.47 -0.58 1.55 4.32 -0.35 -3.24 117.00 114.70 3f4a n LEU 146 Ca 0.12 0.61 0.06 0.00 -0.02 0.00 0.00 56.01 56.78 3f4a n LEU 146 Cb 0.48 -0.53 0.10 0.00 -1.62 0.00 0.00 43.42 41.85 3f4a n LEU 146 CO 0.33 -0.43 0.53 0.79 -1.22 0.00 0.00 177.39 177.40 3f4a n TRP 147 N -2.00 0.23 0.00 -1.77 7.02 -0.31 -5.12 117.44 115.49 3f4a n TRP 147 Ca 0.03 -0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 3f4a n TRP 147 Cb 0.23 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 3f4a n TRP 147 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54