#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6a n PRO 2 N 0.00 -0.76 -2.62 5.55 -0.04 -1.26 -4.99 135.00 130.88 1f6a n PRO 2 Ca 0.00 -0.50 -0.42 0.00 -0.04 0.00 0.00 63.50 62.54 1f6a n PRO 2 Cb 0.00 -0.37 -0.03 0.00 -0.04 0.00 0.00 33.50 33.06 1f6a n PRO 2 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1f6a s GLN 3 N -3.71 4.50 0.69 0.54 -0.21 -1.26 -5.04 119.66 115.17 1f6a s GLN 3 Ca 0.19 1.51 -0.10 0.00 0.02 0.00 0.00 55.36 56.98 1f6a s GLN 3 Cb -0.01 -3.45 0.02 0.00 1.00 0.00 0.00 33.01 30.57 1f6a s GLN 3 CO 0.14 -0.16 1.05 0.15 -2.12 0.00 0.00 175.29 174.35 1f6a s LYS 4 N 1.24 2.76 0.06 2.91 1.02 -1.26 -5.04 119.74 121.43 1f6a s LYS 4 Ca 0.53 0.29 -0.23 0.00 0.02 0.00 0.00 55.97 56.58 1f6a s LYS 4 Cb -0.23 -2.08 -0.06 0.00 -0.52 0.00 0.00 37.83 34.94 1f6a s LYS 4 CO 0.26 -1.01 0.68 -1.25 -0.92 0.00 0.00 175.35 173.11 1f6a s PRO 5 N -5.29 4.41 0.20 -1.68 0.04 -1.26 -5.01 135.00 126.41 1f6a s PRO 5 Ca 0.58 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.59 1f6a s PRO 5 Cb -0.11 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1f6a s PRO 5 CO 0.50 0.42 0.27 0.21 0.04 0.00 0.00 177.00 178.44 1f6a s LYS 6 N -0.46 3.26 -0.07 4.56 2.47 -1.26 -3.63 119.74 124.61 1f6a s LYS 6 Ca 0.34 -0.78 0.05 0.00 -1.56 0.00 0.00 55.97 54.02 1f6a s LYS 6 Cb -0.20 -2.81 -0.01 0.00 -1.46 0.00 0.00 37.83 33.35 1f6a s LYS 6 CO 0.21 0.46 -0.23 0.08 0.16 0.00 0.00 175.35 176.03 1f6a s VAL 7 N -1.90 1.97 0.08 4.02 1.01 -1.26 -0.67 120.40 123.65 1f6a s VAL 7 Ca 0.33 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.40 1f6a s VAL 7 Cb -0.10 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1f6a s VAL 7 CO 0.27 0.54 -0.20 -0.94 0.00 0.00 0.00 175.10 174.78 1f6a s SER 8 N 0.07 3.71 -0.02 3.32 1.04 -0.41 -4.94 113.70 116.46 1f6a s SER 8 Ca -0.10 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.84 1f6a s SER 8 Cb -0.15 -0.50 -0.03 0.00 0.10 0.00 0.00 66.02 65.44 1f6a s SER 8 CO 0.05 0.21 -0.14 -0.76 0.98 0.00 0.00 173.24 173.59 1f6a s LEU 9 N -1.79 2.80 -0.22 2.42 1.43 -1.26 -1.57 118.68 120.49 1f6a s LEU 9 Ca 0.16 -0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1f6a s LEU 9 Cb -0.10 -1.60 0.10 0.00 0.03 0.00 0.00 46.19 44.62 1f6a s LEU 9 CO 0.07 0.32 0.26 0.21 0.23 0.00 0.00 176.35 177.44 1f6a s ASN 10 N -0.99 1.15 0.45 2.29 3.84 -0.92 -2.68 114.94 118.08 1f6a s ASN 10 Ca 0.13 -0.15 -0.23 0.00 0.21 0.00 0.00 52.86 52.82 1f6a s ASN 10 Cb -0.11 0.54 -0.08 0.00 -0.55 0.00 0.00 41.25 41.06 1f6a s ASN 10 CO 0.03 -0.32 1.14 -2.84 -2.79 0.00 0.00 177.10 172.32 1f6a s PRO 11 N 2.37 3.82 0.13 0.43 0.02 -1.26 -2.63 135.00 137.88 1f6a s PRO 11 Ca 0.08 1.72 -0.02 0.00 0.02 0.00 0.00 61.00 62.80 1f6a s PRO 11 Cb -0.16 -2.42 0.24 0.00 0.02 0.00 0.00 34.50 32.19 1f6a s PRO 11 CO -0.14 -0.49 0.70 -2.30 -0.33 0.00 0.00 177.00 174.44 1f6a n PRO 12 N -0.44 -0.04 -1.61 5.54 -0.02 -1.09 -4.66 135.00 132.67 1f6a n PRO 12 Ca 0.07 0.69 -0.61 0.00 -2.02 0.00 0.00 63.50 61.63 1f6a n PRO 12 Cb 0.48 -1.05 -0.09 0.00 -0.02 0.00 0.00 33.50 32.82 1f6a n PRO 12 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1f6a n TRP 13 N -4.66 1.73 0.10 6.00 5.03 -1.26 -4.75 117.44 119.62 1f6a n TRP 13 Ca 0.08 0.79 0.10 0.00 3.03 0.00 0.00 57.50 61.50 1f6a n TRP 13 Cb 0.26 -2.35 0.27 0.00 -1.03 0.00 0.00 31.31 28.46 1f6a n TRP 13 CO 0.00 0.00 0.00 0.27 -0.03 0.00 0.00 177.69 177.93 1f6a n ASN 14 N 5.71 3.24 -3.86 -0.99 0.23 -1.26 -4.74 115.26 113.59 1f6a n ASN 14 Ca 0.35 -1.99 -0.24 0.00 -0.53 0.00 0.00 54.58 52.17 1f6a n ASN 14 Cb 0.03 -0.39 -0.17 0.00 -2.08 0.00 0.00 39.78 37.17 1f6a n ASN 14 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1f6a s ARG 15 N -1.21 1.03 0.04 -3.83 1.70 -1.26 -1.46 118.95 113.96 1f6a s ARG 15 Ca 0.41 -0.09 -0.05 0.00 -0.47 0.00 0.00 55.73 55.52 1f6a s ARG 15 Cb 0.21 -1.18 -0.01 0.00 -0.57 0.00 0.00 34.95 33.40 1f6a s ARG 15 CO 0.28 -0.22 0.09 0.96 -1.08 0.00 0.00 175.30 175.32 1f6a s ILE 16 N 1.58 0.14 0.49 4.99 -4.36 -0.32 -4.86 121.20 118.85 1f6a s ILE 16 Ca 0.00 -1.15 -0.22 0.00 -0.26 0.00 0.00 60.65 59.02 1f6a s ILE 16 Cb -0.13 -0.95 -0.07 0.00 1.25 0.00 0.00 42.46 42.56 1f6a s ILE 16 CO -0.04 -0.63 1.21 -0.36 0.24 0.00 0.00 174.94 175.35 1f6a s PHE 17 N -2.75 2.71 0.44 1.37 2.99 -1.26 -0.65 117.98 120.84 1f6a s PHE 17 Ca -0.04 1.50 -0.26 0.00 0.00 0.00 0.00 56.93 58.13 1f6a s PHE 17 Cb -0.00 -3.48 -0.08 0.00 0.00 0.00 0.00 43.02 39.45 1f6a s PHE 17 CO -0.05 -1.86 1.42 -1.59 -0.00 0.00 0.00 175.22 173.13 1f6a s LYS 18 N -2.79 3.74 0.00 0.44 -2.85 0.28 -1.81 119.74 116.76 1f6a s LYS 18 Ca 0.66 2.40 0.00 0.00 -1.00 0.00 0.00 55.97 58.04 1f6a s LYS 18 Cb -0.31 -2.69 0.00 0.00 -2.06 0.00 0.00 37.83 32.77 1f6a s LYS 18 CO 0.37 -0.77 0.00 0.41 0.10 0.00 0.00 175.35 175.47 1f6a n GLY 19 N 0.58 0.81 3.93 0.59 0.00 0.24 -4.88 105.19 106.46 1f6a n GLY 19 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1f6a n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f6a s GLU 20 N -0.59 2.71 0.05 1.61 2.02 -0.75 -4.10 118.70 119.65 1f6a s GLU 20 Ca 0.00 -0.20 0.05 0.00 0.02 0.00 0.00 54.97 54.84 1f6a s GLU 20 Cb 0.00 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1f6a s GLU 20 CO 0.00 -0.80 -0.07 -0.80 0.02 0.00 0.00 175.26 173.62 1f6a s ASN 21 N -4.36 4.61 0.11 -0.19 0.01 -1.26 -2.19 114.94 111.67 1f6a s ASN 21 Ca 0.55 -0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 52.27 1f6a s ASN 21 Cb -0.11 -1.02 0.05 0.00 0.41 0.00 0.00 41.25 40.59 1f6a s ASN 21 CO 0.44 0.23 0.49 0.54 -1.51 0.00 0.00 177.10 177.29 1f6a s VAL 22 N -1.12 0.04 -0.03 1.60 0.11 -1.15 -4.66 120.40 115.19 1f6a s VAL 22 Ca 0.20 -0.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1f6a s VAL 22 Cb -0.11 -1.06 0.01 0.00 -1.53 0.00 0.00 36.38 33.69 1f6a s VAL 22 CO 0.11 -0.17 -0.05 -0.89 -3.33 0.00 0.00 175.10 170.77 1f6a s THR 23 N -3.35 0.53 -0.14 5.04 2.01 -1.08 -1.77 115.64 116.88 1f6a s THR 23 Ca -0.00 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 61.78 1f6a s THR 23 Cb 0.00 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1f6a s THR 23 CO -0.09 0.20 0.02 -0.76 -0.69 0.00 0.00 174.62 173.29 1f6a s LEU 24 N 0.53 3.60 0.04 4.42 1.43 0.18 -2.17 118.68 126.71 1f6a s LEU 24 Ca -0.07 0.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.16 1f6a s LEU 24 Cb -0.10 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1f6a s LEU 24 CO 0.00 0.26 -0.19 -0.89 0.23 0.00 0.00 176.35 175.76 1f6a s THR 25 N -0.15 1.54 -0.21 5.49 2.01 -0.61 0.14 115.64 123.84 1f6a s THR 25 Ca 0.05 -1.12 -0.05 0.00 0.31 0.00 0.00 61.69 60.88 1f6a s THR 25 Cb -0.12 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.02 1f6a s THR 25 CO 0.02 0.18 0.01 0.00 -0.69 0.00 0.00 174.62 174.14 1f6a n ASN 27 N 4.36 0.00 -1.51 0.00 5.15 0.16 -4.89 115.26 118.53 1f6a n ASN 27 Ca -0.17 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 53.91 1f6a n ASN 27 Cb 0.52 0.00 0.34 0.00 -0.53 0.00 0.00 39.78 40.11 1f6a n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1f6a n GLY 28 N 0.00 2.56 1.71 8.20 0.00 -1.26 -4.02 105.19 112.38 1f6a n GLY 28 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 1f6a n GLY 28 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1f6a n ASN 29 N 1.23 3.76 -2.73 1.61 5.15 -1.26 -3.50 115.26 119.51 1f6a n ASN 29 Ca 0.25 -2.94 -0.09 0.00 -0.60 0.00 0.00 54.58 51.20 1f6a n ASN 29 Cb 0.81 -0.70 0.08 0.00 -0.53 0.00 0.00 39.78 39.45 1f6a n ASN 29 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1f6a n ASN 30 N -0.27 -2.44 0.21 1.20 5.15 -1.26 -5.09 115.26 112.76 1f6a n ASN 30 Ca 0.33 -3.63 -0.08 0.00 -0.60 0.00 0.00 54.58 50.60 1f6a n ASN 30 Cb 1.17 1.92 -0.04 0.00 -0.53 0.00 0.00 39.78 42.30 1f6a n ASN 30 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1f6a h PHE 31 N 3.16 -0.50 0.00 1.20 3.57 -1.84 -3.13 116.94 119.41 1f6a h PHE 31 Ca -0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1f6a h PHE 31 Cb 1.09 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.99 1f6a h PHE 31 CO 0.27 -0.31 0.00 1.19 -2.23 0.00 0.00 178.31 177.23 1f6a n PHE 32 N -3.63 0.00 -2.15 0.41 3.01 -1.26 -4.87 117.46 108.97 1f6a n PHE 32 Ca -0.07 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.38 1f6a n PHE 32 Cb 0.21 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1f6a n PHE 32 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1f6a n GLU 33 N -1.18 -1.66 0.02 -1.08 1.02 -1.18 -4.98 120.64 111.61 1f6a n GLU 33 Ca 0.08 1.60 0.11 0.00 -0.02 0.00 0.00 57.16 58.93 1f6a n GLU 33 Cb 0.09 -3.40 -0.03 0.00 -0.02 0.00 0.00 31.44 28.07 1f6a n GLU 33 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1f6a n VAL 34 N 0.14 0.14 -4.07 2.62 0.24 -1.26 -4.93 118.33 111.21 1f6a n VAL 34 Ca 0.02 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 1f6a n VAL 34 Cb 0.07 0.26 -0.13 0.00 -1.47 0.00 0.00 33.84 32.57 1f6a n VAL 34 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1f6a s SER 35 N -3.97 0.56 0.77 -1.34 1.04 -1.26 -5.12 113.70 104.39 1f6a s SER 35 Ca 0.02 -0.26 -0.13 0.00 0.48 0.00 0.00 55.95 56.05 1f6a s SER 35 Cb 0.14 -0.01 0.06 0.00 0.10 0.00 0.00 66.02 66.32 1f6a s SER 35 CO 0.83 -0.06 1.17 -0.94 0.98 0.00 0.00 173.24 175.22 1f6a s SER 36 N -0.69 4.01 0.03 7.02 1.04 -1.26 -4.99 113.70 118.86 1f6a s SER 36 Ca -0.04 2.22 0.01 0.00 0.48 0.00 0.00 55.95 58.62 1f6a s SER 36 Cb -0.05 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1f6a s SER 36 CO -0.00 -2.38 0.08 -0.89 0.98 0.00 0.00 173.24 171.03 1f6a s THR 37 N -2.28 4.68 -0.18 2.02 2.01 0.80 -4.75 115.64 117.94 1f6a s THR 37 Ca 0.70 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1f6a s THR 37 Cb -0.25 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.11 1f6a s THR 37 CO 0.49 0.26 -0.08 -1.59 -0.69 0.00 0.00 174.62 173.01 1f6a s LYS 38 N -2.00 1.74 -0.04 4.92 -2.85 -1.02 -4.31 119.74 116.17 1f6a s LYS 38 Ca 0.26 -0.67 -0.13 0.00 -1.00 0.00 0.00 55.97 54.42 1f6a s LYS 38 Cb -0.12 -2.21 -0.05 0.00 -2.06 0.00 0.00 37.83 33.39 1f6a s LYS 38 CO 0.17 -0.43 0.35 -1.58 0.10 0.00 0.00 175.35 173.97 1f6a s TRP 39 N 1.52 3.67 -0.14 1.78 0.52 -1.26 -1.72 118.94 123.31 1f6a s TRP 39 Ca -0.00 0.87 0.01 0.00 0.02 0.00 0.00 56.10 57.00 1f6a s TRP 39 Cb -0.16 -2.24 0.02 0.00 -1.15 0.00 0.00 33.47 29.94 1f6a s TRP 39 CO -0.08 0.61 -0.17 -0.06 0.02 0.00 0.00 176.95 177.27 1f6a s PHE 40 N -0.88 2.35 -0.35 -1.98 2.99 0.31 -0.19 117.98 120.23 1f6a s PHE 40 Ca 0.22 -1.25 -0.07 0.00 0.00 0.00 0.00 56.93 55.83 1f6a s PHE 40 Cb -0.15 -1.66 0.05 0.00 0.00 0.00 0.00 43.02 41.25 1f6a s PHE 40 CO 0.11 -0.63 0.13 -1.58 -0.00 0.00 0.00 175.22 173.25 1f6a s HIS 41 N 1.14 3.27 0.00 0.36 2.46 -0.73 -1.56 115.29 120.23 1f6a s HIS 41 Ca -0.01 -1.45 0.00 0.00 0.47 0.00 0.00 55.06 54.07 1f6a s HIS 41 Cb -0.14 -2.39 0.00 0.00 -0.13 0.00 0.00 32.58 29.92 1f6a s HIS 41 CO -0.06 -0.75 0.00 0.09 -2.47 0.00 0.00 174.74 171.55 1f6a n ASN 42 N 4.82 0.00 0.00 9.88 4.13 0.11 -2.62 115.26 131.58 1f6a n ASN 42 Ca -0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.14 1f6a n ASN 42 Cb 0.44 -1.84 0.00 0.00 -1.54 0.00 0.00 39.78 36.85 1f6a n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1f6a n GLY 43 N -1.46 1.51 3.63 7.41 0.00 -1.26 -4.98 105.19 110.05 1f6a n GLY 43 Ca 0.00 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1f6a n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f6a n SER 44 N 0.00 0.62 -4.66 1.61 7.64 -1.08 -4.87 113.62 112.88 1f6a n SER 44 Ca 0.00 0.64 -0.42 0.00 1.01 0.00 0.00 58.87 60.10 1f6a n SER 44 Cb 0.00 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 61.73 1f6a n SER 44 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1f6a s LEU 45 N -3.77 4.14 0.59 -3.43 2.96 -1.26 -1.77 118.68 116.14 1f6a s LEU 45 Ca 0.73 1.28 -0.16 0.00 -0.22 0.00 0.00 54.13 55.77 1f6a s LEU 45 Cb -0.33 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 42.93 1f6a s LEU 45 CO 0.50 -0.53 1.05 -0.55 -1.32 0.00 0.00 176.35 175.51 1f6a s SER 46 N 1.20 5.85 0.00 3.68 0.15 0.73 -4.95 113.70 120.35 1f6a s SER 46 Ca 0.41 1.80 0.25 0.00 0.70 0.00 0.00 55.95 59.11 1f6a s SER 46 Cb -0.16 -2.53 1.24 0.00 -1.71 0.00 0.00 66.02 62.86 1f6a s SER 46 CO 0.10 -1.12 1.83 -1.84 1.20 0.00 0.00 173.24 173.41 1f6a n GLU 47 N -1.99 1.29 -3.13 5.44 0.28 -1.26 -4.61 120.64 116.66 1f6a n GLU 47 Ca 0.09 -0.43 -0.39 0.00 -0.16 0.00 0.00 57.16 56.26 1f6a n GLU 47 Cb 0.53 -1.41 -0.05 0.00 1.43 0.00 0.00 31.44 31.94 1f6a n GLU 47 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1f6a s GLU 48 N -1.95 4.39 0.00 3.44 2.56 -1.26 -4.94 118.70 120.93 1f6a s GLU 48 Ca 0.36 0.81 0.07 0.00 0.00 0.00 0.00 54.97 56.22 1f6a s GLU 48 Cb 0.18 -3.38 -0.03 0.00 2.00 0.00 0.00 34.13 32.90 1f6a s GLU 48 CO 0.29 0.25 0.46 0.25 -0.56 0.00 0.00 175.26 175.95 1f6a n THR 49 N 3.12 0.00 -1.62 -1.70 -2.24 -1.26 -4.33 114.28 106.25 1f6a n THR 49 Ca -0.04 -0.39 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 1f6a n THR 49 Cb 0.51 1.06 0.10 0.00 -2.10 0.00 0.00 70.33 69.90 1f6a n THR 49 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1f6a s ASN 50 N -1.35 4.19 0.59 3.42 0.01 -1.26 -0.14 114.94 120.40 1f6a s ASN 50 Ca 0.05 1.09 0.33 0.00 -0.71 0.00 0.00 52.86 53.62 1f6a s ASN 50 Cb 0.06 -1.74 1.84 0.00 0.41 0.00 0.00 41.25 41.82 1f6a s ASN 50 CO 0.23 -2.13 2.22 -1.28 -1.51 0.00 0.00 177.10 174.63 1f6a h SER 51 N -1.21 0.00 -3.74 -1.22 0.87 -1.93 -3.42 113.55 102.90 1f6a h SER 51 Ca -0.48 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 59.59 1f6a h SER 51 Cb 1.30 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.94 1f6a h SER 51 CO 0.62 0.03 -0.81 -0.94 -0.53 0.00 0.00 176.83 175.20 1f6a s SER 52 N -5.90 1.60 -0.15 6.23 1.04 -1.26 -0.89 113.70 114.36 1f6a s SER 52 Ca -0.04 -0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.09 1f6a s SER 52 Cb 0.14 -0.52 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 1f6a s SER 52 CO 0.53 0.08 -0.01 -0.22 0.98 0.00 0.00 173.24 174.60 1f6a s LEU 53 N 0.28 3.44 0.41 2.42 2.96 0.38 -4.93 118.68 123.64 1f6a s LEU 53 Ca -0.06 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1f6a s LEU 53 Cb -0.11 -1.83 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1f6a s LEU 53 CO 0.02 0.19 0.58 0.20 -1.32 0.00 0.00 176.35 176.02 1f6a s ASN 54 N 0.23 5.73 -0.13 3.68 0.01 -1.26 0.50 114.94 123.68 1f6a s ASN 54 Ca -0.00 -0.21 -0.06 0.00 -0.71 0.00 0.00 52.86 51.88 1f6a s ASN 54 Cb -0.13 -0.97 0.06 0.00 0.41 0.00 0.00 41.25 40.61 1f6a s ASN 54 CO 0.02 -0.70 0.29 -0.63 -1.51 0.00 0.00 177.10 174.57 1f6a s ILE 55 N -2.37 -0.29 0.07 0.60 1.01 -0.73 -4.92 121.20 114.56 1f6a s ILE 55 Ca 0.51 0.21 0.09 0.00 0.00 0.00 0.00 60.65 61.46 1f6a s ILE 55 Cb -0.10 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.87 1f6a s ILE 55 CO 0.34 0.09 -0.24 -0.69 0.00 0.00 0.00 174.94 174.43 1f6a s VAL 56 N 1.98 1.97 -1.23 2.92 1.01 -1.26 -2.94 120.40 122.85 1f6a s VAL 56 Ca -0.04 -1.42 -0.13 0.00 0.00 0.00 0.00 61.98 60.40 1f6a s VAL 56 Cb -0.11 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.57 1f6a s VAL 56 CO -0.09 0.22 0.24 0.59 0.00 0.00 0.00 175.10 176.05 1f6a n ASN 57 N 1.56 -0.93 -4.35 3.32 3.02 -1.24 -4.45 115.26 112.18 1f6a n ASN 57 Ca -0.17 -1.12 -0.61 0.00 -0.03 0.00 0.00 54.58 52.65 1f6a n ASN 57 Cb 0.53 -1.37 -0.11 0.00 -0.61 0.00 0.00 39.78 38.21 1f6a n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f6a n ALA 58 N -4.29 -0.02 -1.93 5.41 0.00 -0.93 -4.26 120.51 114.49 1f6a n ALA 58 Ca -0.21 0.23 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 1f6a n ALA 58 Cb 0.56 -2.08 0.11 0.00 0.00 0.00 0.00 19.45 18.03 1f6a n ALA 58 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1f6a s LYS 59 N 5.45 1.72 0.22 0.00 2.47 -1.26 -0.59 119.74 127.74 1f6a s LYS 59 Ca 1.17 -0.30 -0.05 0.00 -1.56 0.00 0.00 55.97 55.22 1f6a s LYS 59 Cb -1.46 -2.06 0.19 0.00 -1.46 0.00 0.00 37.83 33.04 1f6a s LYS 59 CO 0.68 -1.62 1.66 0.74 0.16 0.00 0.00 175.35 176.97 1f6a h PHE 60 N -0.94 0.94 -0.71 4.03 -1.00 -1.92 -2.36 116.94 114.98 1f6a h PHE 60 Ca -0.44 -0.18 0.20 0.00 2.81 0.00 0.00 57.97 60.36 1f6a h PHE 60 Cb 1.29 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 40.59 1f6a h PHE 60 CO -0.08 0.92 0.77 0.93 -1.61 0.00 0.00 178.31 179.24 1f6a h GLU 61 N 0.76 0.00 0.00 1.51 3.07 -1.98 0.51 114.58 118.45 1f6a h GLU 61 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1f6a h GLU 61 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1f6a h GLU 61 CO 0.04 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.40 1f6a n ASP 62 N -3.54 0.00 -4.45 1.42 8.00 -0.89 -4.81 116.55 112.28 1f6a n ASP 62 Ca 0.15 0.09 -0.29 0.00 0.71 0.00 0.00 54.79 55.45 1f6a n ASP 62 Cb 1.02 -0.35 0.21 0.00 -0.02 0.00 0.00 41.12 41.99 1f6a n ASP 62 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1f6a s SER 63 N -2.69 1.66 0.00 -2.24 0.01 0.18 -4.91 113.70 105.71 1f6a s SER 63 Ca 0.20 1.16 0.00 0.00 1.31 0.00 0.00 55.95 58.62 1f6a s SER 63 Cb 0.16 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.60 1f6a s SER 63 CO 0.39 -3.72 0.00 0.61 0.41 0.00 0.00 173.24 170.93 1f6a n GLY 64 N -0.43 0.61 3.64 3.44 0.00 0.25 -4.93 105.19 107.77 1f6a n GLY 64 Ca 0.06 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 1f6a n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f6a s GLU 65 N -0.76 4.14 -0.07 1.61 2.12 -1.26 -1.26 118.70 123.22 1f6a s GLU 65 Ca 0.00 0.43 0.03 0.00 0.36 0.00 0.00 54.97 55.78 1f6a s GLU 65 Cb 0.00 -3.61 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 1f6a s GLU 65 CO 0.00 -0.27 -0.14 0.71 -0.54 0.00 0.00 175.26 175.02 1f6a s TYR 66 N 2.04 2.72 -0.07 5.30 1.51 -0.63 0.09 117.35 128.30 1f6a s TYR 66 Ca 0.24 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 1f6a s TYR 66 Cb -0.16 -1.67 0.03 0.00 -0.11 0.00 0.00 41.96 40.05 1f6a s TYR 66 CO 0.09 0.10 0.32 0.15 -1.11 0.00 0.00 175.55 175.11 1f6a s LYS 67 N -0.50 0.52 0.06 -0.62 1.02 -0.60 -1.45 119.74 118.17 1f6a s LYS 67 Ca 0.07 0.16 0.05 0.00 0.02 0.00 0.00 55.97 56.27 1f6a s LYS 67 Cb -0.12 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1f6a s LYS 67 CO 0.02 -0.11 -0.15 0.00 -0.92 0.00 0.00 175.35 174.19 1f6a s GLN 69 N -1.53 0.39 0.00 0.00 -2.07 -0.70 -1.60 119.66 114.16 1f6a s GLN 69 Ca 0.00 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 52.90 1f6a s GLN 69 Cb -0.09 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 31.97 1f6a s GLN 69 CO 0.02 -0.08 0.00 0.72 -1.32 0.00 0.00 175.29 174.63 1f6a n HIS 70 N 1.37 0.00 -0.39 9.60 8.25 -1.26 -2.45 115.22 130.34 1f6a n HIS 70 Ca -0.22 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.28 1f6a n HIS 70 Cb 0.56 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.76 1f6a n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1f6a n GLN 71 N 0.00 2.58 -0.22 -0.41 10.64 -1.26 -4.81 117.38 123.91 1f6a n GLN 71 Ca 0.00 -2.01 0.00 0.00 -1.83 0.00 0.00 57.00 53.16 1f6a n GLN 71 Cb 0.00 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 1f6a n GLN 71 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1f6a n GLN 72 N -0.49 2.46 -0.10 2.61 6.02 -1.26 -5.07 117.38 121.54 1f6a n GLN 72 Ca 0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.86 1f6a n GLN 72 Cb 0.45 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.59 1f6a n GLN 72 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1f6a n VAL 73 N -0.24 1.56 -2.11 5.09 3.14 -1.26 -4.94 118.33 119.57 1f6a n VAL 73 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 1f6a n VAL 73 Cb 0.00 -1.64 0.02 0.00 -1.06 0.00 0.00 33.84 31.16 1f6a n VAL 73 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1f6a s ALA 74 N -2.51 2.60 0.09 1.55 0.00 -1.26 -5.04 121.76 117.19 1f6a s ALA 74 Ca -0.33 0.94 0.06 0.00 0.00 0.00 0.00 51.96 52.63 1f6a s ALA 74 Cb 0.10 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1f6a s ALA 74 CO 0.61 -1.01 -0.16 -1.83 0.00 0.00 0.00 175.76 173.37 1f6a s GLU 75 N -3.31 0.93 0.55 0.00 -1.05 -1.26 -4.57 118.70 109.99 1f6a s GLU 75 Ca 0.76 -1.05 -0.18 0.00 -0.15 0.00 0.00 54.97 54.35 1f6a s GLU 75 Cb -0.28 -1.01 -0.11 0.00 -0.44 0.00 0.00 34.13 32.30 1f6a s GLU 75 CO 0.31 0.22 0.29 -1.13 0.95 0.00 0.00 175.26 175.90 1f6a n SER 76 N 1.14 -1.98 -4.76 0.83 3.41 -0.63 -4.81 113.62 106.82 1f6a n SER 76 Ca -0.20 0.71 -0.38 0.00 -0.26 0.00 0.00 58.87 58.73 1f6a n SER 76 Cb 0.54 -1.06 0.02 0.00 -0.26 0.00 0.00 64.21 63.46 1f6a n SER 76 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1f6a s GLU 77 N -1.71 3.42 0.68 4.33 0.41 -1.26 -4.72 118.70 119.85 1f6a s GLU 77 Ca 0.64 2.15 -0.15 0.00 -0.41 0.00 0.00 54.97 57.21 1f6a s GLU 77 Cb -0.46 -2.38 0.01 0.00 -1.78 0.00 0.00 34.13 29.52 1f6a s GLU 77 CO 0.59 -0.94 1.13 -1.25 -0.49 0.00 0.00 175.26 174.29 1f6a s PRO 78 N -2.74 2.60 -0.14 0.39 0.04 -1.26 -4.85 135.00 129.04 1f6a s PRO 78 Ca 0.67 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1f6a s PRO 78 Cb -0.38 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1f6a s PRO 78 CO 0.46 -1.42 -0.13 0.08 0.04 0.00 0.00 177.00 176.03 1f6a s VAL 79 N -2.29 1.48 -0.16 -0.36 1.01 -0.53 -4.96 120.40 114.60 1f6a s VAL 79 Ca 0.68 -0.58 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 1f6a s VAL 79 Cb -0.22 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1f6a s VAL 79 CO 0.43 0.44 0.44 -0.31 0.00 0.00 0.00 175.10 176.10 1f6a s TYR 80 N 1.49 3.45 -0.27 5.22 1.51 -1.26 -1.60 117.35 125.88 1f6a s TYR 80 Ca 0.04 0.77 -0.00 0.00 -1.01 0.00 0.00 57.07 56.86 1f6a s TYR 80 Cb -0.13 -2.53 0.05 0.00 -0.11 0.00 0.00 41.96 39.24 1f6a s TYR 80 CO -0.10 0.10 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.22 1f6a s LEU 81 N 0.90 3.57 -0.16 -1.29 2.96 -0.39 -4.76 118.68 119.50 1f6a s LEU 81 Ca 0.23 -1.19 -0.06 0.00 -0.22 0.00 0.00 54.13 52.88 1f6a s LEU 81 Cb -0.15 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1f6a s LEU 81 CO 0.09 -0.20 0.04 -1.61 -1.32 0.00 0.00 176.35 173.34 1f6a s GLU 82 N 1.23 3.80 -0.27 1.98 2.02 -0.54 -0.58 118.70 126.34 1f6a s GLU 82 Ca -0.05 -0.37 -0.08 0.00 0.02 0.00 0.00 54.97 54.49 1f6a s GLU 82 Cb -0.19 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 1f6a s GLU 82 CO -0.03 0.34 0.09 0.08 0.02 0.00 0.00 175.26 175.76 1f6a s VAL 83 N 0.17 4.37 0.46 2.63 1.01 -1.26 -1.18 120.40 126.60 1f6a s VAL 83 Ca 0.03 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.82 1f6a s VAL 83 Cb -0.13 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1f6a s VAL 83 CO 0.01 0.25 0.35 -0.36 0.00 0.00 0.00 175.10 175.35 1f6a s PHE 84 N 1.61 2.35 -0.45 5.22 0.40 0.17 -4.81 117.98 122.47 1f6a s PHE 84 Ca 0.06 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.82 1f6a s PHE 84 Cb -0.16 -2.05 0.18 0.00 0.51 0.00 0.00 43.02 41.50 1f6a s PHE 84 CO 0.04 -0.17 0.55 0.45 0.70 0.00 0.00 175.22 176.79 1f6a s SER 85 N -4.13 -0.21 0.00 1.36 0.15 -1.26 -0.56 113.70 109.05 1f6a s SER 85 Ca 0.43 -1.97 0.00 0.00 0.70 0.00 0.00 55.95 55.11 1f6a s SER 85 Cb -0.01 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.33 1f6a s SER 85 CO 0.25 -0.13 0.00 -0.67 1.20 0.00 0.00 173.24 173.89 1f6a n ASP 86 N 3.31 0.00 -0.02 5.45 -0.08 -1.26 -5.09 116.55 118.86 1f6a n ASP 86 Ca 0.19 -0.86 -0.21 0.00 -1.51 0.00 0.00 54.79 52.40 1f6a n ASP 86 Cb 0.52 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.85 1f6a n ASP 86 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1f6a h TRP 87 N 0.86 0.32 -4.10 -0.67 4.06 -1.94 -3.41 115.95 111.06 1f6a h TRP 87 Ca 0.00 -0.23 -0.57 0.00 2.06 0.00 0.00 58.89 60.15 1f6a h TRP 87 Cb 0.00 -0.01 -0.30 0.00 -1.00 0.00 0.00 29.16 27.84 1f6a h TRP 87 CO 0.00 1.56 -0.84 -0.51 -3.56 0.00 0.00 178.44 175.09 1f6a s LEU 88 N -7.56 1.97 -0.06 -4.49 1.43 -1.26 -1.85 118.68 106.87 1f6a s LEU 88 Ca -0.23 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 1f6a s LEU 88 Cb 0.05 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.29 1f6a s LEU 88 CO 0.72 0.19 -0.15 -0.22 0.23 0.00 0.00 176.35 177.12 1f6a s LEU 89 N -0.18 1.78 -0.32 1.79 2.96 -0.80 -4.28 118.68 119.63 1f6a s LEU 89 Ca 0.01 -0.34 -0.13 0.00 -0.22 0.00 0.00 54.13 53.45 1f6a s LEU 89 Cb -0.10 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.65 1f6a s LEU 89 CO 0.01 0.08 0.26 -0.22 -1.32 0.00 0.00 176.35 175.16 1f6a s LEU 90 N 0.43 4.33 -0.04 -0.68 2.96 -1.26 -0.94 118.68 123.48 1f6a s LEU 90 Ca -0.12 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1f6a s LEU 90 Cb -0.14 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1f6a s LEU 90 CO 0.04 -0.20 0.04 -1.10 -1.32 0.00 0.00 176.35 173.81 1f6a s GLN 91 N 1.81 3.00 0.03 1.98 -0.21 -0.67 -4.97 119.66 120.64 1f6a s GLN 91 Ca 0.08 -0.46 0.05 0.00 0.02 0.00 0.00 55.36 55.05 1f6a s GLN 91 Cb -0.17 -2.82 -0.02 0.00 1.00 0.00 0.00 33.01 31.01 1f6a s GLN 91 CO 0.11 0.67 -0.14 0.00 -2.12 0.00 0.00 175.29 173.81 1f6a s ALA 92 N -1.05 1.15 0.42 6.09 0.00 -1.26 -1.77 121.76 125.34 1f6a s ALA 92 Ca 0.18 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.45 1f6a s ALA 92 Cb -0.12 -0.20 0.90 0.00 0.00 0.00 0.00 23.12 23.71 1f6a s ALA 92 CO 0.08 0.23 2.06 0.66 0.00 0.00 0.00 175.76 178.79 1f6a h SER 93 N 5.09 0.41 -3.15 0.00 4.64 -1.67 -3.38 113.55 115.51 1f6a h SER 93 Ca -0.37 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 60.97 1f6a h SER 93 Cb 1.18 -0.10 -0.23 0.00 -0.31 0.00 0.00 62.40 62.93 1f6a h SER 93 CO 0.45 0.31 0.17 0.00 -0.87 0.00 0.00 176.83 176.89 1f6a s ALA 94 N -5.43 -1.95 0.17 5.18 0.00 -1.26 -4.72 121.76 113.76 1f6a s ALA 94 Ca -0.08 2.23 0.12 0.00 0.00 0.00 0.00 51.96 54.23 1f6a s ALA 94 Cb 0.17 -1.43 0.24 0.00 0.00 0.00 0.00 23.12 22.09 1f6a s ALA 94 CO 0.72 -0.35 1.53 0.93 0.00 0.00 0.00 175.76 178.60 1f6a h GLU 95 N 6.03 0.00 -4.51 0.00 5.08 -1.90 -3.41 114.58 115.88 1f6a h GLU 95 Ca -0.29 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.46 1f6a h GLU 95 Cb 1.20 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.08 1f6a h GLU 95 CO 0.14 0.66 -0.81 0.08 -1.00 0.00 0.00 179.01 178.09 1f6a s VAL 96 N -3.30 1.58 -0.21 3.13 1.01 -1.26 -2.39 120.40 118.96 1f6a s VAL 96 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1f6a s VAL 96 Cb 0.11 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.79 1f6a s VAL 96 CO 0.76 0.13 -0.08 -0.69 0.00 0.00 0.00 175.10 175.22 1f6a s VAL 97 N 1.41 3.10 0.32 2.92 1.01 -0.62 -5.01 120.40 123.53 1f6a s VAL 97 Ca -0.02 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1f6a s VAL 97 Cb -0.17 -2.39 -0.11 0.00 0.00 0.00 0.00 36.38 33.71 1f6a s VAL 97 CO -0.08 0.45 1.50 -0.04 0.00 0.00 0.00 175.10 176.93 1f6a s MET 98 N 1.42 4.17 0.09 2.72 -1.94 -1.26 -3.34 119.30 121.15 1f6a s MET 98 Ca 0.05 2.49 -0.32 0.00 -1.71 0.00 0.00 55.69 56.20 1f6a s MET 98 Cb -0.14 -3.02 -0.18 0.00 2.01 0.00 0.00 34.83 33.50 1f6a s MET 98 CO -0.05 -0.51 0.76 -1.91 -0.01 0.00 0.00 175.02 173.29 1f6a n GLU 99 N 1.44 0.00 0.00 2.03 2.13 -1.21 -1.85 120.64 123.17 1f6a n GLU 99 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1f6a n GLU 99 Cb 0.39 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 30.91 1f6a n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1f6a n GLY 100 N 1.65 2.08 3.63 8.31 0.00 -1.26 -4.96 105.19 114.64 1f6a n GLY 100 Ca 0.18 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 1f6a n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1f6a n GLN 101 N 0.00 -0.09 -1.76 1.61 1.13 -0.77 -3.34 117.38 114.15 1f6a n GLN 101 Ca 0.00 0.05 -0.31 0.00 -1.94 0.00 0.00 57.00 54.79 1f6a n GLN 101 Cb 0.00 -2.30 0.03 0.00 0.11 0.00 0.00 30.24 28.08 1f6a n GLN 101 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1f6a s PRO 102 N -4.14 3.16 0.01 -1.09 0.04 -1.24 -1.88 135.00 129.86 1f6a s PRO 102 Ca 0.69 0.99 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1f6a s PRO 102 Cb -0.26 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1f6a s PRO 102 CO 0.56 -0.92 -0.05 -1.17 0.04 0.00 0.00 177.00 175.46 1f6a s LEU 103 N -5.18 2.06 -0.04 -3.56 2.96 0.37 -4.92 118.68 110.37 1f6a s LEU 103 Ca 0.59 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1f6a s LEU 103 Cb -0.14 -0.19 0.02 0.00 0.50 0.00 0.00 46.19 46.39 1f6a s LEU 103 CO 0.49 -0.01 -0.03 -0.36 -1.32 0.00 0.00 176.35 175.13 1f6a s PHE 104 N -0.38 0.58 0.09 5.38 0.40 -1.26 -0.78 117.98 122.02 1f6a s PHE 104 Ca -0.01 -0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1f6a s PHE 104 Cb -0.03 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.88 1f6a s PHE 104 CO -0.00 -0.18 -0.15 -0.51 0.70 0.00 0.00 175.22 175.08 1f6a s LEU 105 N 1.01 2.79 -0.14 -0.37 1.43 0.19 -1.83 118.68 121.76 1f6a s LEU 105 Ca -0.10 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1f6a s LEU 105 Cb -0.14 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.52 1f6a s LEU 105 CO -0.01 0.20 0.32 -0.60 0.23 0.00 0.00 176.35 176.49 1f6a s ARG 106 N -1.97 0.25 -0.37 1.70 3.52 -0.73 -0.56 118.95 120.80 1f6a s ARG 106 Ca 0.18 0.74 -0.21 0.00 -0.13 0.00 0.00 55.73 56.32 1f6a s ARG 106 Cb -0.11 0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.29 1f6a s ARG 106 CO 0.10 -0.21 0.66 0.00 -0.81 0.00 0.00 175.30 175.04 1f6a s HIS 108 N 2.79 3.12 -0.07 0.00 2.46 -0.12 -4.85 115.29 118.62 1f6a s HIS 108 Ca 0.25 -0.29 -0.18 0.00 0.47 0.00 0.00 55.06 55.31 1f6a s HIS 108 Cb -0.14 -2.25 -0.05 0.00 -0.13 0.00 0.00 32.58 30.01 1f6a s HIS 108 CO 0.16 -0.29 0.49 0.20 -2.47 0.00 0.00 174.74 172.82 1f6a s GLY 109 N 1.55 2.45 0.28 1.59 0.00 -1.26 -1.91 107.32 110.02 1f6a s GLY 109 Ca 0.06 -0.15 -0.18 0.00 0.00 0.00 0.00 44.72 44.45 1f6a s GLY 109 CO 0.05 0.65 0.16 1.87 0.00 0.00 0.00 173.10 175.83 1f6a n TRP 110 N 3.15 -1.33 -1.69 1.90 -0.00 -0.77 0.46 117.44 119.16 1f6a n TRP 110 Ca -0.08 0.57 -0.02 0.00 -0.00 0.00 0.00 57.50 57.96 1f6a n TRP 110 Cb 0.52 -1.45 -0.01 0.00 -0.00 0.00 0.00 31.31 30.37 1f6a n TRP 110 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1f6a n ARG 111 N 0.99 -1.84 -3.03 5.87 1.74 -1.26 0.18 116.66 119.32 1f6a n ARG 111 Ca 0.10 0.13 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 1f6a n ARG 111 Cb 0.29 -4.38 0.02 0.00 -1.02 0.00 0.00 32.46 27.37 1f6a n ARG 111 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1f6a n ASN 112 N -0.27 -5.52 -4.77 0.55 5.15 0.17 -4.93 115.26 105.64 1f6a n ASN 112 Ca -0.03 -0.27 -0.35 0.00 -0.60 0.00 0.00 54.58 53.33 1f6a n ASN 112 Cb 0.27 -4.49 0.01 0.00 -0.53 0.00 0.00 39.78 35.04 1f6a n ASN 112 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1f6a s TRP 113 N -3.10 2.64 0.32 1.20 0.51 0.48 -4.92 118.94 116.08 1f6a s TRP 113 Ca 0.29 1.54 -0.29 0.00 -2.12 0.00 0.00 56.10 55.52 1f6a s TRP 113 Cb -0.14 -3.30 -0.10 0.00 -0.81 0.00 0.00 33.47 29.12 1f6a s TRP 113 CO 0.36 -1.64 1.41 -0.51 -0.51 0.00 0.00 176.95 176.06 1f6a s ASP 114 N -1.79 6.59 -0.16 2.95 1.01 -1.26 -4.36 116.67 119.65 1f6a s ASP 114 Ca 0.73 2.80 -0.00 0.00 0.71 0.00 0.00 52.55 56.79 1f6a s ASP 114 Cb -0.24 -2.65 0.04 0.00 1.01 0.00 0.00 42.92 41.08 1f6a s ASP 114 CO 0.28 -0.70 -0.08 -0.69 0.21 0.00 0.00 175.17 174.19 1f6a s VAL 115 N -0.77 1.28 0.23 -1.27 1.01 -1.26 -4.40 120.40 115.22 1f6a s VAL 115 Ca 0.54 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1f6a s VAL 115 Cb -0.43 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 1f6a s VAL 115 CO 0.53 0.23 0.25 -0.31 0.00 0.00 0.00 175.10 175.79 1f6a s TYR 116 N 1.57 3.26 -1.19 5.22 1.51 0.11 -2.58 117.35 125.26 1f6a s TYR 116 Ca 0.02 -0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1f6a s TYR 116 Cb -0.15 -1.50 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1f6a s TYR 116 CO -0.08 0.49 0.86 1.63 -1.11 0.00 0.00 175.55 177.34 1f6a n LYS 117 N -1.07 -4.51 -2.73 -0.62 5.02 0.15 -0.28 118.16 114.12 1f6a n LYS 117 Ca -0.08 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 1f6a n LYS 117 Cb 0.57 -5.46 -0.03 0.00 -0.02 0.00 0.00 35.03 30.09 1f6a n LYS 117 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1f6a s VAL 118 N -3.48 4.78 -0.05 -0.18 1.01 -1.12 -4.29 120.40 117.07 1f6a s VAL 118 Ca 0.15 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.21 1f6a s VAL 118 Cb -0.03 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1f6a s VAL 118 CO 0.77 0.20 -0.13 -0.63 0.00 0.00 0.00 175.10 175.31 1f6a s ILE 119 N 0.75 1.18 -0.16 2.22 1.01 0.37 -2.59 121.20 123.97 1f6a s ILE 119 Ca 0.50 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 1f6a s ILE 119 Cb -0.21 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1f6a s ILE 119 CO 0.28 0.36 0.10 -0.31 0.00 0.00 0.00 174.94 175.37 1f6a s TYR 120 N 0.41 3.40 0.01 3.97 1.51 -0.50 -0.94 117.35 125.20 1f6a s TYR 120 Ca -0.10 0.30 0.04 0.00 -1.01 0.00 0.00 57.07 56.30 1f6a s TYR 120 Cb -0.13 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1f6a s TYR 120 CO 0.03 0.39 -0.07 0.71 -1.11 0.00 0.00 175.55 175.50 1f6a s TYR 121 N -0.13 2.86 -0.21 2.71 1.51 0.26 -0.74 117.35 123.62 1f6a s TYR 121 Ca 0.09 -0.06 -0.02 0.00 -1.01 0.00 0.00 57.07 56.07 1f6a s TYR 121 Cb -0.12 -1.60 0.06 0.00 -0.11 0.00 0.00 41.96 40.20 1f6a s TYR 121 CO 0.01 0.37 0.02 0.21 -1.11 0.00 0.00 175.55 175.04 1f6a s LYS 122 N -1.43 0.83 -1.20 -0.62 2.20 -0.08 -1.68 119.74 117.76 1f6a s LYS 122 Ca 0.17 -0.56 -0.08 0.00 -0.36 0.00 0.00 55.97 55.13 1f6a s LYS 122 Cb -0.11 -2.19 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 1f6a s LYS 122 CO 0.07 -0.66 0.77 -0.25 -0.36 0.00 0.00 175.35 174.93 1f6a n ASP 123 N 4.97 -3.65 0.00 1.43 8.00 0.11 -1.32 116.55 126.10 1f6a n ASP 123 Ca -0.09 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.55 1f6a n ASP 123 Cb 0.46 -4.07 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 1f6a n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f6a n GLY 124 N -1.54 0.31 3.83 0.44 0.00 -1.26 -4.97 105.19 102.00 1f6a n GLY 124 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1f6a n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f6a s GLU 125 N -0.71 3.05 -0.52 1.61 2.02 -0.43 -5.05 118.70 118.67 1f6a s GLU 125 Ca 0.00 -0.68 -0.28 0.00 0.02 0.00 0.00 54.97 54.02 1f6a s GLU 125 Cb 0.00 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.47 1f6a s GLU 125 CO 0.00 0.55 1.13 0.00 0.02 0.00 0.00 175.26 176.96 1f6a s ALA 126 N -1.55 3.10 -0.10 5.21 0.00 -1.26 -0.90 121.76 126.27 1f6a s ALA 126 Ca 0.31 -0.65 -0.07 0.00 0.00 0.00 0.00 51.96 51.55 1f6a s ALA 126 Cb -0.12 -3.92 -0.05 0.00 0.00 0.00 0.00 23.12 19.03 1f6a s ALA 126 CO 0.24 -2.40 0.21 1.25 0.00 0.00 0.00 175.76 175.06 1f6a h LEU 127 N 11.42 -0.04 -7.33 0.00 5.85 -1.28 -3.48 115.31 120.44 1f6a h LEU 127 Ca -0.24 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.17 1f6a h LEU 127 Cb 1.06 0.01 -0.25 0.00 0.37 0.00 0.00 40.66 41.85 1f6a h LEU 127 CO 1.14 0.53 -0.31 -0.75 -0.34 0.00 0.00 178.44 178.71 1f6a s LYS 128 N -1.88 0.40 0.09 1.25 2.20 -1.17 -4.99 119.74 115.63 1f6a s LYS 128 Ca -0.04 0.56 0.09 0.00 -0.36 0.00 0.00 55.97 56.22 1f6a s LYS 128 Cb -0.00 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.41 1f6a s LYS 128 CO 0.15 -0.08 -0.23 -0.47 -0.36 0.00 0.00 175.35 174.35 1f6a s TYR 129 N 0.54 2.02 -0.01 4.03 5.04 -1.26 -1.41 117.35 126.31 1f6a s TYR 129 Ca -0.03 -0.40 -0.15 0.00 -2.44 0.00 0.00 57.07 54.05 1f6a s TYR 129 Cb -0.04 -1.14 0.02 0.00 0.35 0.00 0.00 41.96 41.15 1f6a s TYR 129 CO -0.03 0.20 0.32 -0.46 -1.34 0.00 0.00 175.55 174.24 1f6a s TRP 130 N -0.99 -0.19 0.41 4.97 -0.00 -1.07 -5.03 118.94 117.04 1f6a s TRP 130 Ca 0.10 0.26 0.10 0.00 -0.00 0.00 0.00 56.10 56.56 1f6a s TRP 130 Cb -0.10 0.11 0.92 0.00 -0.00 0.00 0.00 33.47 34.40 1f6a s TRP 130 CO 0.04 -0.41 2.00 1.88 -0.00 0.00 0.00 176.95 180.46 1f6a h TYR 131 N 3.77 0.53 -0.44 5.86 -1.99 -1.95 -2.96 116.97 119.79 1f6a h TYR 131 Ca -0.30 0.01 -0.68 0.00 2.00 0.00 0.00 58.73 59.77 1f6a h TYR 131 Cb 1.18 -0.17 -0.13 0.00 2.00 0.00 0.00 36.73 39.60 1f6a h TYR 131 CO 0.51 0.28 -0.50 -1.21 -0.00 0.00 0.00 178.16 177.24 1f6a s GLU 132 N -5.48 2.20 0.69 4.88 8.01 -1.26 0.30 118.70 128.04 1f6a s GLU 132 Ca -0.08 -2.42 -0.14 0.00 0.01 0.00 0.00 54.97 52.34 1f6a s GLU 132 Cb 0.19 -1.42 0.02 0.00 -4.31 0.00 0.00 34.13 28.61 1f6a s GLU 132 CO 0.75 -0.42 1.12 1.21 0.01 0.00 0.00 175.26 177.93 1f6a s ASN 133 N -3.87 4.84 -0.08 -0.19 3.84 -1.06 -4.13 114.94 114.29 1f6a s ASN 133 Ca 0.04 2.02 -0.30 0.00 0.21 0.00 0.00 52.86 54.83 1f6a s ASN 133 Cb 0.01 -2.55 0.11 0.00 -0.55 0.00 0.00 41.25 38.26 1f6a s ASN 133 CO 0.02 -1.81 0.91 -1.38 -2.79 0.00 0.00 177.10 172.05 1f6a s HIS 134 N -2.40 -0.39 0.16 0.43 -3.43 -1.26 -5.04 115.29 103.36 1f6a s HIS 134 Ca 0.67 0.51 -0.04 0.00 -0.80 0.00 0.00 55.06 55.40 1f6a s HIS 134 Cb -0.21 0.48 -0.05 0.00 -1.43 0.00 0.00 32.58 31.37 1f6a s HIS 134 CO 0.45 -0.46 0.39 0.00 -2.00 0.00 0.00 174.74 173.11 1f6a s ALA 135 N -1.99 3.79 -0.33 -1.38 0.00 -1.26 -4.40 121.76 116.18 1f6a s ALA 135 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 1f6a s ALA 135 Cb -0.01 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1f6a s ALA 135 CO -0.02 0.60 0.23 0.42 0.00 0.00 0.00 175.76 176.99 1f6a s ILE 136 N -1.73 5.26 -0.37 0.00 -1.09 0.28 -4.97 121.20 118.59 1f6a s ILE 136 Ca 0.41 -0.19 -0.03 0.00 -2.23 0.00 0.00 60.65 58.61 1f6a s ILE 136 Cb -0.12 -3.68 0.09 0.00 -1.58 0.00 0.00 42.46 37.16 1f6a s ILE 136 CO 0.26 0.02 0.13 -0.44 -1.23 0.00 0.00 174.94 173.68 1f6a s SER 137 N 1.72 5.16 -0.63 3.58 0.01 -1.26 -0.64 113.70 121.63 1f6a s SER 137 Ca 0.06 -1.72 -0.16 0.00 1.31 0.00 0.00 55.95 55.44 1f6a s SER 137 Cb -0.17 -1.80 0.15 0.00 0.21 0.00 0.00 66.02 64.41 1f6a s SER 137 CO 0.10 -0.44 0.61 -0.63 0.41 0.00 0.00 173.24 173.30 1f6a s ILE 138 N 1.20 5.25 0.16 1.44 1.01 0.04 -4.96 121.20 125.35 1f6a s ILE 138 Ca 0.03 -1.69 -0.18 0.00 0.00 0.00 0.00 60.65 58.81 1f6a s ILE 138 Cb -0.22 -4.41 0.08 0.00 0.01 0.00 0.00 42.46 37.93 1f6a s ILE 138 CO -0.03 -0.96 1.65 0.71 0.00 0.00 0.00 174.94 176.31 1f6a h THR 139 N 5.60 0.52 -3.45 2.92 1.35 -1.92 0.11 112.91 118.03 1f6a h THR 139 Ca -0.18 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.11 1f6a h THR 139 Cb 1.08 0.52 -0.39 0.00 -1.73 0.00 0.00 68.15 67.63 1f6a h THR 139 CO 0.97 0.00 -0.77 0.20 -0.25 0.00 0.00 175.52 175.67 1f6a s ASN 140 N -5.16 3.52 1.03 5.36 0.01 -1.26 -3.71 114.94 114.73 1f6a s ASN 140 Ca -0.14 -1.10 -0.17 0.00 -0.71 0.00 0.00 52.86 50.74 1f6a s ASN 140 Cb 0.14 -0.93 0.02 0.00 0.41 0.00 0.00 41.25 40.89 1f6a s ASN 140 CO 0.70 -0.28 -0.06 0.00 -1.51 0.00 0.00 177.10 175.95 1f6a n ALA 141 N 4.83 -3.83 -3.11 0.60 0.00 -0.79 -4.88 120.51 113.33 1f6a n ALA 141 Ca -0.10 -0.97 -0.01 0.00 0.00 0.00 0.00 53.44 52.37 1f6a n ALA 141 Cb 0.45 -1.53 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1f6a n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6a n ALA 142 N -3.82 -0.11 0.01 0.00 0.00 -1.26 -4.07 120.51 111.27 1f6a n ALA 142 Ca 0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 1f6a n ALA 142 Cb 0.59 0.14 -0.14 0.00 0.00 0.00 0.00 19.45 20.04 1f6a n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6a h ALA 143 N 1.71 0.42 -0.27 0.00 0.00 -1.95 -3.34 119.26 115.84 1f6a h ALA 143 Ca -0.03 -1.36 -0.04 0.00 0.00 0.00 0.00 54.91 53.47 1f6a h ALA 143 Cb 0.14 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1f6a h ALA 143 CO 0.05 1.30 -0.01 1.05 0.00 0.00 0.00 179.25 181.63 1f6a h GLU 144 N 0.07 0.41 0.00 0.00 4.11 -2.00 -2.57 114.58 114.61 1f6a h GLU 144 Ca -0.40 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1f6a h GLU 144 Cb 2.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1f6a h GLU 144 CO 0.10 0.45 0.00 -0.25 0.07 0.00 0.00 179.01 179.38 1f6a n ASP 145 N -4.31 0.00 -4.06 3.06 8.00 -1.25 -4.68 116.55 113.30 1f6a n ASP 145 Ca 0.01 -0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.26 1f6a n ASP 145 Cb 0.22 -0.06 0.12 0.00 -0.02 0.00 0.00 41.12 41.38 1f6a n ASP 145 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1f6a n SER 146 N -1.06 0.93 0.00 -2.24 7.64 -0.97 -4.91 113.62 113.01 1f6a n SER 146 Ca 0.02 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.05 1f6a n SER 146 Cb 0.01 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1f6a n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1f6a n GLY 147 N -1.77 -0.57 3.80 0.23 0.00 -0.68 -4.94 105.19 101.27 1f6a n GLY 147 Ca 0.14 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 1f6a n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1f6a s THR 148 N -0.96 5.25 0.38 2.61 -4.23 -1.26 -2.02 115.64 115.40 1f6a s THR 148 Ca 0.00 0.59 0.08 0.00 -1.18 0.00 0.00 61.69 61.18 1f6a s THR 148 Cb 0.00 -3.62 -0.06 0.00 1.34 0.00 0.00 72.50 70.17 1f6a s THR 148 CO 0.00 0.50 0.07 -0.31 -0.54 0.00 0.00 174.62 174.34 1f6a s TYR 149 N -0.38 2.57 -0.24 3.99 1.51 0.27 -0.71 117.35 124.35 1f6a s TYR 149 Ca 0.19 -0.53 -0.32 0.00 -1.01 0.00 0.00 57.07 55.40 1f6a s TYR 149 Cb -0.14 -1.71 0.16 0.00 -0.11 0.00 0.00 41.96 40.17 1f6a s TYR 149 CO 0.07 0.37 1.27 1.52 -1.11 0.00 0.00 175.55 177.67 1f6a s TYR 150 N -2.58 -0.11 0.26 2.71 -0.85 -0.68 0.84 117.35 116.94 1f6a s TYR 150 Ca 0.37 0.14 0.10 0.00 -0.52 0.00 0.00 57.07 57.16 1f6a s TYR 150 Cb 0.03 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 1f6a s TYR 150 CO 0.20 -0.12 -0.15 0.00 -1.52 0.00 0.00 175.55 173.96 1f6a s THR 152 N -2.75 0.59 -0.03 0.00 -4.23 -0.11 -0.42 115.64 108.69 1f6a s THR 152 Ca 0.28 -1.63 -0.31 0.00 -1.18 0.00 0.00 61.69 58.85 1f6a s THR 152 Cb -0.02 -1.29 0.12 0.00 1.34 0.00 0.00 72.50 72.65 1f6a s THR 152 CO 0.12 -0.72 1.27 -0.83 -0.54 0.00 0.00 174.62 173.92 1f6a s GLY 153 N -2.53 -0.40 -0.12 3.99 0.00 -0.34 -0.48 107.32 107.45 1f6a s GLY 153 Ca 0.04 0.79 -0.03 0.00 0.00 0.00 0.00 44.72 45.51 1f6a s GLY 153 CO -0.03 0.17 0.00 0.54 0.00 0.00 0.00 173.10 173.77 1f6a s LYS 154 N -2.45 3.28 -0.19 2.90 1.02 0.62 -0.72 119.74 124.20 1f6a s LYS 154 Ca 0.14 -0.42 -0.02 0.00 0.02 0.00 0.00 55.97 55.69 1f6a s LYS 154 Cb 0.04 -2.88 0.06 0.00 -0.52 0.00 0.00 37.83 34.52 1f6a s LYS 154 CO -0.04 0.54 0.00 0.08 -0.92 0.00 0.00 175.35 175.01 1f6a s VAL 155 N -0.43 0.81 -1.07 3.17 1.01 -0.38 0.10 120.40 123.61 1f6a s VAL 155 Ca 0.08 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1f6a s VAL 155 Cb -0.12 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.07 1f6a s VAL 155 CO 0.02 -0.11 0.93 0.79 0.00 0.00 0.00 175.10 176.72 1f6a n TRP 156 N 4.95 -2.21 -0.11 5.22 5.03 -1.26 -2.80 117.44 126.27 1f6a n TRP 156 Ca -0.10 0.81 0.00 0.00 3.03 0.00 0.00 57.50 61.24 1f6a n TRP 156 Cb 0.47 -4.34 0.00 0.00 -1.03 0.00 0.00 31.31 26.41 1f6a n TRP 156 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 1f6a n GLN 157 N -4.01 0.00 -3.38 -0.99 6.02 -1.26 -4.99 117.38 108.78 1f6a n GLN 157 Ca -0.05 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.74 1f6a n GLN 157 Cb 0.57 -2.78 -0.00 0.00 1.02 0.00 0.00 30.24 29.04 1f6a n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1f6a s LEU 158 N 0.00 3.91 -0.12 1.08 1.43 -1.12 -5.02 118.68 118.84 1f6a s LEU 158 Ca 0.00 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1f6a s LEU 158 Cb 0.00 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.30 1f6a s LEU 158 CO 0.00 -0.47 0.12 -1.81 0.23 0.00 0.00 176.35 174.41 1f6a s ASP 159 N -4.17 6.19 0.04 2.29 1.01 -1.26 -1.25 116.67 119.52 1f6a s ASP 159 Ca 0.45 0.40 -0.01 0.00 0.71 0.00 0.00 52.55 54.11 1f6a s ASP 159 Cb -0.10 -1.98 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 1f6a s ASP 159 CO 0.33 0.39 -0.03 -0.31 0.21 0.00 0.00 175.17 175.76 1f6a s TYR 160 N -0.92 0.42 -0.03 4.23 1.51 0.10 -4.98 117.35 117.68 1f6a s TYR 160 Ca 0.14 -0.85 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1f6a s TYR 160 Cb -0.12 -0.31 0.02 0.00 -0.11 0.00 0.00 41.96 41.44 1f6a s TYR 160 CO 0.03 -0.30 -0.04 -2.00 -1.11 0.00 0.00 175.55 172.14 1f6a s GLU 161 N -2.93 0.64 0.42 -0.62 2.12 -1.26 -1.20 118.70 115.87 1f6a s GLU 161 Ca -0.02 -0.09 -0.23 0.00 0.36 0.00 0.00 54.97 54.98 1f6a s GLU 161 Cb 0.01 -0.67 -0.09 0.00 0.26 0.00 0.00 34.13 33.64 1f6a s GLU 161 CO -0.06 -0.04 1.04 -1.54 -0.54 0.00 0.00 175.26 174.12 1f6a s SER 162 N 0.68 6.66 0.50 -1.70 1.04 0.44 -4.76 113.70 116.56 1f6a s SER 162 Ca -0.08 2.00 -0.24 0.00 0.48 0.00 0.00 55.95 58.12 1f6a s SER 162 Cb -0.12 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.36 1f6a s SER 162 CO -0.00 -0.56 1.39 -0.62 0.98 0.00 0.00 173.24 174.43 1f6a n GLU 163 N -0.29 1.97 -1.31 4.02 1.02 -1.26 -4.58 120.64 120.21 1f6a n GLU 163 Ca 0.06 0.71 -0.34 0.00 -0.02 0.00 0.00 57.16 57.58 1f6a n GLU 163 Cb 0.50 -2.60 0.10 0.00 -0.02 0.00 0.00 31.44 29.43 1f6a n GLU 163 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1f6a s PRO 164 N -2.65 1.97 -0.02 3.49 0.04 -1.26 -4.67 135.00 131.89 1f6a s PRO 164 Ca 0.66 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1f6a s PRO 164 Cb -0.44 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1f6a s PRO 164 CO 0.53 -1.96 0.02 -1.17 0.04 0.00 0.00 177.00 174.47 1f6a s LEU 165 N -5.39 1.10 -0.01 -3.56 2.96 0.25 -4.97 118.68 109.06 1f6a s LEU 165 Ca 0.73 0.02 -0.19 0.00 -0.22 0.00 0.00 54.13 54.47 1f6a s LEU 165 Cb -0.28 -0.12 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 1f6a s LEU 165 CO 0.48 -0.12 0.53 0.20 -1.32 0.00 0.00 176.35 176.12 1f6a s ASN 166 N 1.06 6.90 -0.06 3.68 0.01 -1.26 0.95 114.94 126.22 1f6a s ASN 166 Ca -0.09 1.07 0.02 0.00 -0.71 0.00 0.00 52.86 53.15 1f6a s ASN 166 Cb -0.13 -2.33 0.02 0.00 0.41 0.00 0.00 41.25 39.22 1f6a s ASN 166 CO -0.03 0.15 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.00 1f6a s ILE 167 N -0.33 0.86 0.07 0.60 1.01 -0.86 -4.88 121.20 117.67 1f6a s ILE 167 Ca 0.28 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.71 1f6a s ILE 167 Cb -0.18 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1f6a s ILE 167 CO 0.15 0.29 -0.24 0.42 0.00 0.00 0.00 174.94 175.56 1f6a s THR 168 N 0.78 1.99 -0.04 2.92 -4.23 -1.00 -1.68 115.64 114.38 1f6a s THR 168 Ca -0.13 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1f6a s THR 168 Cb -0.15 -1.74 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1f6a s THR 168 CO 0.02 0.20 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.51 1f6a s VAL 169 N -0.91 0.94 0.66 2.29 1.01 -1.26 -1.58 120.40 121.55 1f6a s VAL 169 Ca 0.10 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.71 1f6a s VAL 169 Cb -0.10 -0.84 0.12 0.00 0.00 0.00 0.00 36.38 35.56 1f6a s VAL 169 CO 0.03 0.29 0.91 -0.63 0.00 0.00 0.00 175.10 175.70 1f6a s ILE 170 N 0.28 2.04 0.02 2.22 1.01 -1.21 -4.91 121.20 120.65 1f6a s ILE 170 Ca -0.05 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1f6a s ILE 170 Cb -0.11 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 1f6a s ILE 170 CO 0.01 0.00 -0.03 -0.54 0.00 0.00 0.00 174.94 174.38 1f6a s LYS 171 N -4.92 0.33 -0.24 2.79 1.02 -1.26 -3.34 119.74 114.13 1f6a s LYS 171 Ca 0.65 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.97 1f6a s LYS 171 Cb -0.05 0.11 0.08 0.00 -0.52 0.00 0.00 37.83 37.44 1f6a s LYS 171 CO 0.42 -0.05 0.07 0.00 -0.92 0.00 0.00 175.35 174.87 1f6a s ALA 172 N -1.59 1.07 -2.00 5.17 0.00 -1.26 -5.02 121.76 118.12 1f6a s ALA 172 Ca -0.15 -1.01 0.13 0.00 0.00 0.00 0.00 51.96 50.93 1f6a s ALA 172 Cb -0.09 -1.33 0.79 0.00 0.00 0.00 0.00 23.12 22.49 1f6a s ALA 172 CO -0.01 -1.38 1.21 -0.35 0.00 0.00 0.00 175.76 175.22