#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f3h h ASP 3 N 0.00 0.57 -0.18 4.04 3.32 -2.05 -2.67 116.42 119.45 3f3h h ASP 3 Ca 0.00 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3f3h h ASP 3 Cb 0.00 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3f3h h ASP 3 CO 0.00 0.58 0.10 0.74 -1.72 0.00 0.00 179.24 178.94 3f3h h THR 4 N 0.60 1.02 -0.51 0.35 2.02 -2.05 0.36 112.91 114.70 3f3h h THR 4 Ca 0.14 -0.08 0.07 0.00 0.77 0.00 0.00 66.41 67.31 3f3h h THR 4 Cb 0.25 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 3f3h h THR 4 CO -0.00 0.04 0.19 0.00 0.37 0.00 0.00 175.52 176.12 3f3h h ALA 5 N 1.08 0.63 -0.62 6.16 0.00 -1.97 -1.58 119.26 122.97 3f3h h ALA 5 Ca 0.07 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3f3h h ALA 5 Cb -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3f3h h ALA 5 CO -0.03 -0.20 0.15 -0.07 0.00 0.00 0.00 179.25 179.09 3f3h h LEU 6 N 0.37 0.94 -0.05 0.00 3.38 -1.09 -1.04 115.31 117.82 3f3h h LEU 6 Ca 0.25 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3f3h h LEU 6 Cb 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3f3h h LEU 6 CO -0.24 0.93 0.03 0.40 0.09 0.00 0.00 178.44 179.65 3f3h h ILE 7 N 0.90 1.07 0.00 1.22 2.04 -0.02 -0.38 117.51 122.33 3f3h h ILE 7 Ca 0.19 -0.18 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 3f3h h ILE 7 Cb 0.36 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3f3h h ILE 7 CO 0.00 0.05 -0.46 -0.26 0.00 0.00 0.00 178.15 177.49 3f3h h PHE 8 N 0.01 0.00 -0.02 1.37 0.04 -1.27 0.21 116.94 117.28 3f3h h PHE 8 Ca 0.02 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3f3h h PHE 8 Cb 0.06 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.21 3f3h h PHE 8 CO -0.05 0.46 0.01 -0.09 -0.60 0.00 0.00 178.31 178.03 3f3h h ARG 9 N 0.00 0.03 -0.75 1.51 2.43 -1.08 -2.06 114.38 114.46 3f3h h ARG 9 Ca -0.00 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3f3h h ARG 9 Cb 1.00 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.50 3f3h h ARG 9 CO 0.06 0.25 0.47 1.25 -1.51 0.00 0.00 179.97 180.48 3f3h h LEU 10 N -0.19 0.76 -0.51 3.80 5.85 -0.76 -2.46 115.31 121.81 3f3h h LEU 10 Ca 0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 3f3h h LEU 10 Cb 0.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3f3h h LEU 10 CO 0.00 0.52 0.06 0.00 -0.34 0.00 0.00 178.44 178.68 3f3h h ALA 11 N 1.32 0.68 -0.89 1.25 0.00 -0.57 0.12 119.26 121.17 3f3h h ALA 11 Ca 0.30 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3f3h h ALA 11 Cb 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3f3h h ALA 11 CO -0.12 0.43 0.59 2.35 0.00 0.00 0.00 179.25 182.50 3f3h h TRP 12 N 0.73 1.11 -0.01 0.00 2.91 -1.25 0.26 115.95 119.70 3f3h h TRP 12 Ca 0.15 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.15 3f3h h TRP 12 Cb 0.43 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 28.71 3f3h h TRP 12 CO 0.03 0.69 -0.17 -0.44 -1.03 0.00 0.00 178.44 177.52 3f3h h ASP 13 N 1.19 0.16 0.00 2.65 3.32 -0.99 -3.40 116.42 119.36 3f3h h ASP 13 Ca 0.33 -0.74 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3f3h h ASP 13 Cb -0.11 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.39 3f3h h ASP 13 CO -0.08 0.88 -1.07 1.33 -1.72 0.00 0.00 179.24 178.58 3f3h n VAL 14 N -4.58 0.00 0.00 -1.35 0.24 0.37 -5.01 118.33 108.00 3f3h n VAL 14 Ca -0.09 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 3f3h n VAL 14 Cb 0.45 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 3f3h n VAL 14 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3f3h n LYS 15 N -1.61 0.00 -3.79 7.34 4.76 0.92 -4.76 118.16 121.03 3f3h n LYS 15 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.22 3f3h n LYS 15 Cb 0.28 0.00 -0.17 0.00 -1.84 0.00 0.00 35.03 33.30 3f3h n LYS 15 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3f3h s LYS 16 N 0.00 0.62 -0.09 1.97 2.20 -1.26 -4.93 119.74 118.25 3f3h s LYS 16 Ca 0.00 0.10 -0.19 0.00 -0.36 0.00 0.00 55.97 55.51 3f3h s LYS 16 Cb 0.00 -0.97 0.04 0.00 -1.51 0.00 0.00 37.83 35.40 3f3h s LYS 16 CO 0.00 -0.29 0.46 -1.17 -0.36 0.00 0.00 175.35 173.99 3f3h s LEU 17 N 1.91 0.23 -0.09 5.43 2.96 -1.26 -5.15 118.68 122.71 3f3h s LEU 17 Ca 0.04 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 54.51 3f3h s LEU 17 Cb -0.12 1.71 0.05 0.00 0.50 0.00 0.00 46.19 48.33 3f3h s LEU 17 CO -0.05 -0.36 0.18 -0.55 -1.32 0.00 0.00 176.35 174.25 3f3h s SER 18 N -0.63 0.54 0.15 3.68 0.15 -1.26 -5.16 113.70 111.17 3f3h s SER 18 Ca -0.07 0.39 -0.08 0.00 0.70 0.00 0.00 55.95 56.89 3f3h s SER 18 Cb -0.03 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.62 3f3h s SER 18 CO 0.04 -0.23 0.24 0.72 1.20 0.00 0.00 173.24 175.21 3f3h s PHE 19 N 2.16 0.43 -0.26 3.44 -0.71 -1.26 -4.86 117.98 116.92 3f3h s PHE 19 Ca 0.01 -0.80 -0.01 0.00 -1.04 0.00 0.00 56.93 55.08 3f3h s PHE 19 Cb -0.12 -0.11 0.14 0.00 -1.21 0.00 0.00 43.02 41.71 3f3h s PHE 19 CO -0.06 -0.67 0.36 0.34 -1.34 0.00 0.00 175.22 173.85 3f3h s ASP 20 N -2.96 0.56 -0.31 1.98 -1.08 0.88 -4.94 116.67 110.80 3f3h s ASP 20 Ca 0.16 -0.08 0.09 0.00 -0.52 0.00 0.00 52.55 52.20 3f3h s ASP 20 Cb 0.04 0.97 0.56 0.00 -1.46 0.00 0.00 42.92 43.03 3f3h s ASP 20 CO -0.01 -0.33 1.57 -1.22 0.52 0.00 0.00 175.17 175.70 3f3h n TYR 21 N 5.35 1.56 -1.84 -5.34 4.02 -1.26 -1.66 117.16 117.99 3f3h n TYR 21 Ca -0.03 -1.53 -0.42 0.00 -0.01 0.00 0.00 57.90 55.91 3f3h n TYR 21 Cb 0.49 -0.57 -0.03 0.00 -0.02 0.00 0.00 39.34 39.21 3f3h n TYR 21 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3f3h s THR 22 N -3.19 3.30 0.08 -0.72 2.01 -1.26 -4.92 115.64 110.94 3f3h s THR 22 Ca 0.47 0.35 -0.31 0.00 0.31 0.00 0.00 61.69 62.51 3f3h s THR 22 Cb 0.42 -3.28 -0.08 0.00 0.01 0.00 0.00 72.50 69.57 3f3h s THR 22 CO 0.04 -0.09 1.51 -2.84 -0.69 0.00 0.00 174.62 172.54 3f3h s PRO 23 N 4.84 4.25 -0.47 4.92 0.02 -1.26 -4.39 135.00 142.91 3f3h s PRO 23 Ca 0.84 2.17 -0.02 0.00 0.02 0.00 0.00 61.00 64.01 3f3h s PRO 23 Cb -0.34 -3.44 0.13 0.00 0.02 0.00 0.00 34.50 30.86 3f3h s PRO 23 CO 0.35 -0.60 0.27 -0.80 -0.33 0.00 0.00 177.00 175.88 3f3h s ASN 24 N 1.76 5.17 0.14 2.53 -0.87 0.05 -4.95 114.94 118.75 3f3h s ASN 24 Ca 0.68 -2.34 -0.30 0.00 -1.57 0.00 0.00 52.86 49.33 3f3h s ASN 24 Cb -0.37 -1.81 -0.07 0.00 -0.02 0.00 0.00 41.25 38.97 3f3h s ASN 24 CO 0.30 -0.46 1.18 0.26 -2.57 0.00 0.00 177.10 175.81 3f3h s TRP 25 N 0.69 3.46 -0.19 2.20 0.52 -1.26 -1.25 118.94 123.11 3f3h s TRP 25 Ca 0.11 1.40 -0.05 0.00 0.02 0.00 0.00 56.10 57.59 3f3h s TRP 25 Cb -0.22 -3.40 -0.02 0.00 -1.15 0.00 0.00 33.47 28.68 3f3h s TRP 25 CO -0.04 -1.14 -0.01 0.20 0.02 0.00 0.00 176.95 175.98 3f3h s GLY 26 N 0.45 1.71 0.25 0.98 0.00 -0.13 -4.97 107.32 105.60 3f3h s GLY 26 Ca 0.55 -0.96 -0.04 0.00 0.00 0.00 0.00 44.72 44.26 3f3h s GLY 26 CO 0.33 0.17 0.50 0.50 0.00 0.00 0.00 173.10 174.60 3f3h s ARG 27 N 0.87 3.62 0.00 2.90 0.52 -1.26 -0.66 118.95 124.94 3f3h s ARG 27 Ca 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 3f3h s ARG 27 Cb -0.14 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.62 3f3h s ARG 27 CO 0.02 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.04 3f3h n GLY 28 N -0.70 1.89 2.86 -3.53 0.00 0.38 -4.72 105.19 101.38 3f3h n GLY 28 Ca -0.02 -1.92 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 3f3h n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3f3h s ASN 29 N -1.00 3.44 0.91 1.61 3.84 -1.26 -2.71 114.94 119.77 3f3h s ASN 29 Ca 0.00 -1.01 -0.11 0.00 0.21 0.00 0.00 52.86 51.94 3f3h s ASN 29 Cb 0.00 -0.95 0.14 0.00 -0.55 0.00 0.00 41.25 39.89 3f3h s ASN 29 CO 0.00 -0.26 1.09 -2.16 -2.79 0.00 0.00 177.10 172.98 3f3h s PRO 30 N 1.58 1.12 0.00 0.43 0.04 -1.26 -5.00 135.00 131.91 3f3h s PRO 30 Ca -0.04 0.94 0.26 0.00 0.04 0.00 0.00 61.00 62.21 3f3h s PRO 30 Cb -0.18 -1.78 1.36 0.00 0.04 0.00 0.00 34.50 33.94 3f3h s PRO 30 CO -0.07 -2.37 1.90 0.27 0.04 0.00 0.00 177.00 176.77 3f3h n ASN 31 N -3.99 0.00 0.00 6.66 6.94 -1.10 -1.99 115.26 121.78 3f3h n ASN 31 Ca 0.07 -0.20 0.11 0.00 -0.02 0.00 0.00 54.58 54.55 3f3h n ASN 31 Cb 0.55 -0.24 0.58 0.00 -2.36 0.00 0.00 39.78 38.30 3f3h n ASN 31 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 3f3h n ASN 32 N -1.24 0.00 -4.79 0.53 6.94 -1.26 -4.52 115.26 110.92 3f3h n ASN 32 Ca 0.14 -0.10 -0.38 0.00 -0.02 0.00 0.00 54.58 54.22 3f3h n ASN 32 Cb 0.19 -0.26 -0.06 0.00 -2.36 0.00 0.00 39.78 37.29 3f3h n ASN 32 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3f3h s PHE 33 N -2.52 3.62 -0.25 -2.53 0.08 -0.84 -0.26 117.98 115.27 3f3h s PHE 33 Ca 0.23 0.85 -0.10 0.00 0.12 0.00 0.00 56.93 58.03 3f3h s PHE 33 Cb 0.15 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 40.23 3f3h s PHE 33 CO 0.34 0.46 0.14 0.42 -0.10 0.00 0.00 175.22 176.49 3f3h s ILE 34 N -0.38 5.11 -0.17 0.64 1.01 0.26 -0.47 121.20 127.20 3f3h s ILE 34 Ca 0.22 0.10 0.06 0.00 0.00 0.00 0.00 60.65 61.02 3f3h s ILE 34 Cb -0.15 -3.39 -0.14 0.00 0.01 0.00 0.00 42.46 38.78 3f3h s ILE 34 CO 0.10 0.33 -0.08 0.47 0.00 0.00 0.00 174.94 175.76 3f3h n ASP 35 N 4.53 2.11 -4.08 3.58 9.92 0.17 -0.64 116.55 132.14 3f3h n ASP 35 Ca -0.15 -0.06 -0.10 0.00 -0.53 0.00 0.00 54.79 53.94 3f3h n ASP 35 Cb 0.52 0.15 -0.08 0.00 -0.64 0.00 0.00 41.12 41.07 3f3h n ASP 35 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3f3h s THR 36 N -2.36 0.03 0.00 -3.53 -4.23 -0.86 -0.96 115.64 103.74 3f3h s THR 36 Ca -0.18 -1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 3f3h s THR 36 Cb 0.06 -2.17 -0.00 0.00 1.34 0.00 0.00 72.50 71.72 3f3h s THR 36 CO 0.49 -0.15 0.00 0.54 -0.54 0.00 0.00 174.62 174.96 3f3h s VAL 37 N -4.05 0.03 -0.01 2.29 0.11 -0.45 -0.96 120.40 117.36 3f3h s VAL 37 Ca 0.27 -0.26 0.06 0.00 -2.93 0.00 0.00 61.98 59.11 3f3h s VAL 37 Cb 0.04 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.78 3f3h s VAL 37 CO 0.06 -0.14 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.62 3f3h s THR 38 N -0.42 1.42 -0.18 5.04 2.01 -0.38 0.15 115.64 123.28 3f3h s THR 38 Ca -0.05 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 3f3h s THR 38 Cb -0.03 -1.19 0.00 0.00 0.01 0.00 0.00 72.50 71.29 3f3h s THR 38 CO -0.00 0.37 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.80 3f3h s PHE 39 N -0.47 2.83 0.48 4.92 0.08 -0.13 -0.77 117.98 124.92 3f3h s PHE 39 Ca 0.07 -1.18 0.13 0.00 0.12 0.00 0.00 56.93 56.07 3f3h s PHE 39 Cb -0.07 -1.96 1.11 0.00 -0.57 0.00 0.00 43.02 41.53 3f3h s PHE 39 CO -0.00 -0.59 2.11 -1.35 -0.10 0.00 0.00 175.22 175.30 3f3h h PRO 40 N 7.70 0.21 -1.55 0.24 0.11 -1.74 -0.50 132.00 136.47 3f3h h PRO 40 Ca -0.39 -0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.49 3f3h h PRO 40 Cb 1.17 -0.05 -0.26 0.00 0.11 0.00 0.00 31.00 31.97 3f3h h PRO 40 CO 0.60 0.14 -0.57 0.21 -0.21 0.00 0.00 178.00 178.17 3f3h s LYS 41 N -5.23 0.65 0.59 1.05 2.20 -0.66 -2.62 119.74 115.71 3f3h s LYS 41 Ca -0.06 -0.40 -0.04 0.00 -0.36 0.00 0.00 55.97 55.10 3f3h s LYS 41 Cb 0.17 -0.33 0.02 0.00 -1.51 0.00 0.00 37.83 36.18 3f3h s LYS 41 CO 0.69 -1.15 0.87 0.14 -0.36 0.00 0.00 175.35 175.54 3f3h s VAL 42 N 1.86 3.33 0.32 4.02 -7.23 -1.00 -0.08 120.40 121.61 3f3h s VAL 42 Ca 0.15 -0.21 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 3f3h s VAL 42 Cb -0.11 -3.32 -0.09 0.00 0.56 0.00 0.00 36.38 33.42 3f3h s VAL 42 CO -0.11 -0.30 1.14 -0.76 -0.31 0.00 0.00 175.10 174.75 3f3h s LEU 43 N -4.95 4.42 0.00 1.32 1.43 -1.26 -4.93 118.68 114.72 3f3h s LEU 43 Ca 0.55 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 3f3h s LEU 43 Cb -0.10 -3.76 0.00 0.00 0.03 0.00 0.00 46.19 42.35 3f3h s LEU 43 CO 0.43 -0.33 0.96 0.35 0.23 0.00 0.00 176.35 177.98 3f3h n THR 44 N 0.79 0.91 0.20 5.49 -2.24 -1.26 -4.72 114.28 113.45 3f3h n THR 44 Ca 0.01 -0.93 0.09 0.00 -2.27 0.00 0.00 64.05 60.95 3f3h n THR 44 Cb 0.45 0.55 0.30 0.00 -2.10 0.00 0.00 70.33 69.53 3f3h n THR 44 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 3f3h h ASP 45 N 0.00 0.00 -4.27 3.42 2.03 -2.04 -3.45 116.42 112.11 3f3h h ASP 45 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 3f3h h ASP 45 Cb 0.52 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 38.87 3f3h h ASP 45 CO 0.00 0.25 -0.64 -0.54 -1.03 0.00 0.00 179.24 177.28 3f3h s LYS 46 N -3.37 1.33 -1.39 4.15 1.02 -1.26 -5.06 119.74 115.16 3f3h s LYS 46 Ca 0.03 -1.69 -0.09 0.00 0.02 0.00 0.00 55.97 54.24 3f3h s LYS 46 Cb 0.08 -0.39 0.08 0.00 -0.52 0.00 0.00 37.83 37.09 3f3h s LYS 46 CO 0.67 -0.20 2.32 0.00 -0.92 0.00 0.00 175.35 177.22 3f3h n ALA 47 N -0.41 6.36 -1.77 5.17 0.00 -1.26 -4.98 120.51 123.61 3f3h n ALA 47 Ca -0.03 -4.02 -0.41 0.00 0.00 0.00 0.00 53.44 48.98 3f3h n ALA 47 Cb 0.65 -3.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.04 3f3h n ALA 47 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3f3h s TYR 48 N 0.52 2.65 0.48 0.00 2.02 -1.26 -4.71 117.35 117.06 3f3h s TYR 48 Ca 0.52 1.02 0.04 0.00 -0.37 0.00 0.00 57.07 58.28 3f3h s TYR 48 Cb 0.15 -4.04 -0.02 0.00 -0.40 0.00 0.00 41.96 37.65 3f3h s TYR 48 CO -0.06 -3.22 0.10 0.95 -1.57 0.00 0.00 175.55 171.75 3f3h s THR 49 N -0.69 1.59 -0.05 -0.71 -4.23 -1.15 -4.71 115.64 105.69 3f3h s THR 49 Ca 0.57 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 3f3h s THR 49 Cb -0.47 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 70.94 3f3h s THR 49 CO 0.57 0.00 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.25 3f3h s TYR 50 N -2.78 1.15 -0.13 3.99 2.02 -0.73 -0.12 117.35 120.75 3f3h s TYR 50 Ca 0.22 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.47 3f3h s TYR 50 Cb 0.03 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 3f3h s TYR 50 CO 0.12 -0.22 0.12 0.50 -1.57 0.00 0.00 175.55 174.51 3f3h s ARG 51 N 0.66 3.52 -0.06 -0.62 3.52 0.12 -1.80 118.95 124.29 3f3h s ARG 51 Ca -0.12 -0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 3f3h s ARG 51 Cb -0.14 -3.19 -0.01 0.00 -1.56 0.00 0.00 34.95 30.05 3f3h s ARG 51 CO 0.02 0.70 -0.23 0.08 -0.81 0.00 0.00 175.30 175.05 3f3h s VAL 52 N -0.79 1.93 -0.01 7.11 1.01 -0.96 -0.56 120.40 128.13 3f3h s VAL 52 Ca 0.14 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3f3h s VAL 52 Cb -0.12 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 3f3h s VAL 52 CO 0.03 0.54 -0.17 0.00 0.00 0.00 0.00 175.10 175.49 3f3h s ALA 53 N -0.11 1.45 -0.17 5.51 0.00 -0.43 -0.61 121.76 127.41 3f3h s ALA 53 Ca -0.04 -0.77 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 3f3h s ALA 53 Cb -0.13 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.67 3f3h s ALA 53 CO 0.04 0.35 -0.05 0.08 0.00 0.00 0.00 175.76 176.17 3f3h s VAL 54 N -0.45 1.15 -1.58 0.00 1.01 -0.07 -0.52 120.40 119.93 3f3h s VAL 54 Ca 0.07 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 3f3h s VAL 54 Cb -0.07 -1.33 0.10 0.00 0.00 0.00 0.00 36.38 35.08 3f3h s VAL 54 CO -0.00 0.12 0.71 -1.20 0.00 0.00 0.00 175.10 174.72 3f3h n SER 55 N 4.86 -2.65 0.00 3.32 7.64 0.77 -1.49 113.62 126.07 3f3h n SER 55 Ca -0.12 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.79 3f3h n SER 55 Cb 0.47 -3.05 0.00 0.00 -1.01 0.00 0.00 64.21 60.63 3f3h n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f3h n GLY 56 N -1.63 1.32 3.58 0.23 0.00 -1.26 -5.02 105.19 102.42 3f3h n GLY 56 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3f3h n GLY 56 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f3h s ARG 57 N -0.42 3.84 -0.20 1.61 0.52 -0.56 -5.05 118.95 118.70 3f3h s ARG 57 Ca 0.00 -0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.85 3f3h s ARG 57 Cb 0.00 -3.72 -0.02 0.00 0.52 0.00 0.00 34.95 31.73 3f3h s ARG 57 CO 0.00 -0.41 1.41 1.21 0.02 0.00 0.00 175.30 177.52 3f3h s ASN 58 N 1.68 6.71 0.00 0.23 2.47 -1.26 -0.90 114.94 123.87 3f3h s ASN 58 Ca 0.16 1.63 0.24 0.00 0.42 0.00 0.00 52.86 55.30 3f3h s ASN 58 Cb -0.16 -2.54 0.56 0.00 -1.45 0.00 0.00 41.25 37.67 3f3h s ASN 58 CO 0.11 -0.98 1.47 0.18 -3.72 0.00 0.00 177.10 174.16 3f3h n LEU 59 N 7.35 2.52 0.00 3.21 4.77 0.23 -5.00 117.00 130.07 3f3h n LEU 59 Ca 0.16 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 3f3h n LEU 59 Cb 0.45 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3f3h n LEU 59 CO 0.61 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 3f3h n GLY 60 N 1.31 -1.88 3.34 -0.72 0.00 -1.22 -4.84 105.19 101.18 3f3h n GLY 60 Ca 0.17 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 3f3h n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f3h s VAL 61 N 0.00 2.74 0.03 1.61 1.01 -1.26 -2.28 120.40 122.25 3f3h s VAL 61 Ca 0.00 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3f3h s VAL 61 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 3f3h s VAL 61 CO 0.00 0.55 -0.03 -0.54 0.00 0.00 0.00 175.10 175.08 3f3h s LYS 62 N 0.13 0.40 0.55 2.72 1.02 -0.74 -4.98 119.74 118.82 3f3h s LYS 62 Ca -0.08 -0.78 -0.19 0.00 0.02 0.00 0.00 55.97 54.93 3f3h s LYS 62 Cb -0.15 0.13 -0.06 0.00 -0.52 0.00 0.00 37.83 37.23 3f3h s LYS 62 CO 0.05 -0.06 1.14 -2.14 -0.92 0.00 0.00 175.35 173.41 3f3h s PRO 63 N -2.15 3.34 0.50 -1.68 0.02 -1.26 -1.77 135.00 132.00 3f3h s PRO 63 Ca -0.09 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.56 3f3h s PRO 63 Cb -0.05 -2.00 0.10 0.00 0.02 0.00 0.00 34.50 32.56 3f3h s PRO 63 CO -0.03 -0.87 0.69 -1.13 -0.33 0.00 0.00 177.00 175.33 3f3h n SER 64 N -1.31 1.04 -4.72 2.53 3.41 -1.26 -4.91 113.62 108.39 3f3h n SER 64 Ca 0.12 -1.85 -0.33 0.00 -0.26 0.00 0.00 58.87 56.54 3f3h n SER 64 Cb 0.51 -0.44 0.10 0.00 -0.26 0.00 0.00 64.21 64.12 3f3h n SER 64 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3f3h s TYR 65 N -2.05 2.08 0.80 7.33 2.02 -1.25 -4.98 117.35 121.31 3f3h s TYR 65 Ca 0.47 1.62 -0.13 0.00 -0.37 0.00 0.00 57.07 58.66 3f3h s TYR 65 Cb -0.03 -3.39 0.08 0.00 -0.40 0.00 0.00 41.96 38.23 3f3h s TYR 65 CO 0.31 -2.48 1.18 0.00 -1.57 0.00 0.00 175.55 172.98 3f3h s ALA 66 N -2.20 1.89 0.20 3.71 0.00 -1.26 -4.67 121.76 119.43 3f3h s ALA 66 Ca 0.71 0.73 -0.32 0.00 0.00 0.00 0.00 51.96 53.09 3f3h s ALA 66 Cb -0.26 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 3f3h s ALA 66 CO 0.48 -2.20 1.73 0.28 0.00 0.00 0.00 175.76 176.05 3f3h n VAL 67 N -3.33 0.03 -1.34 0.00 0.31 -1.26 -4.78 118.33 107.95 3f3h n VAL 67 Ca 0.13 -0.01 -0.29 0.00 -0.01 0.00 0.00 64.34 64.16 3f3h n VAL 67 Cb 0.51 -1.97 0.16 0.00 -0.91 0.00 0.00 33.84 31.63 3f3h n VAL 67 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3f3h s GLU 68 N 1.28 0.70 0.46 5.55 0.41 0.85 -4.90 118.70 123.05 3f3h s GLU 68 Ca 0.76 0.39 0.14 0.00 -0.41 0.00 0.00 54.97 55.85 3f3h s GLU 68 Cb -0.51 -1.78 1.04 0.00 -1.78 0.00 0.00 34.13 31.10 3f3h s GLU 68 CO 0.33 -2.52 2.02 0.66 -0.49 0.00 0.00 175.26 175.26 3f3h h SER 69 N -1.74 0.03 0.65 -0.19 4.64 -1.93 -1.07 113.55 113.94 3f3h h SER 69 Ca -0.53 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3f3h h SER 69 Cb 1.33 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3f3h h SER 69 CO 0.60 0.16 0.00 -0.90 -0.87 0.00 0.00 176.83 175.82 3f3h n ASP 70 N -4.37 0.00 0.00 4.97 5.75 -1.26 -4.90 116.55 116.74 3f3h n ASP 70 Ca -0.02 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 3f3h n ASP 70 Cb 0.21 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 3f3h n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3f3h n GLY 71 N 1.22 0.55 3.91 6.12 0.00 -0.40 -4.89 105.19 111.70 3f3h n GLY 71 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 3f3h n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3f3h s SER 72 N -2.92 5.17 -0.15 1.61 1.04 -1.08 -2.38 113.70 114.99 3f3h s SER 72 Ca 0.00 0.74 -0.10 0.00 0.48 0.00 0.00 55.95 57.07 3f3h s SER 72 Cb 0.00 -1.51 0.05 0.00 0.10 0.00 0.00 66.02 64.66 3f3h s SER 72 CO 0.00 -1.41 0.37 -1.58 0.98 0.00 0.00 173.24 171.60 3f3h s GLN 73 N -5.24 0.37 -0.08 4.02 0.74 -0.19 -0.11 119.66 119.18 3f3h s GLN 73 Ca 0.58 0.67 0.00 0.00 0.05 0.00 0.00 55.36 56.67 3f3h s GLN 73 Cb -0.11 0.02 -0.03 0.00 1.10 0.00 0.00 33.01 33.99 3f3h s GLN 73 CO 0.47 -0.13 -0.06 0.21 -0.55 0.00 0.00 175.29 175.23 3f3h s LYS 74 N 1.06 2.83 -0.18 1.67 2.20 -1.26 -0.96 119.74 125.10 3f3h s LYS 74 Ca -0.07 -0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 54.97 3f3h s LYS 74 Cb -0.07 -2.63 -0.02 0.00 -1.51 0.00 0.00 37.83 33.60 3f3h s LYS 74 CO -0.09 0.64 -0.04 0.08 -0.36 0.00 0.00 175.35 175.59 3f3h s VAL 75 N -0.74 3.70 -0.46 4.02 1.01 0.12 -3.76 120.40 124.29 3f3h s VAL 75 Ca 0.11 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3f3h s VAL 75 Cb -0.11 -2.65 0.10 0.00 0.00 0.00 0.00 36.38 33.71 3f3h s VAL 75 CO 0.02 0.46 0.35 0.21 0.00 0.00 0.00 175.10 176.13 3f3h s ASN 76 N 0.84 5.85 0.59 3.32 2.47 -1.26 -1.34 114.94 125.41 3f3h s ASN 76 Ca -0.01 -1.61 0.30 0.00 0.42 0.00 0.00 52.86 51.96 3f3h s ASN 76 Cb -0.15 -2.07 1.81 0.00 -1.45 0.00 0.00 41.25 39.39 3f3h s ASN 76 CO 0.02 -0.65 2.25 -0.26 -3.72 0.00 0.00 177.10 174.73 3f3h h PHE 77 N 8.57 0.00 -0.71 0.43 0.04 -1.41 -2.16 116.94 121.71 3f3h h PHE 77 Ca -0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.52 3f3h h PHE 77 Cb 1.09 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.20 3f3h h PHE 77 CO 0.64 0.01 0.45 -0.07 -0.60 0.00 0.00 178.31 178.74 3f3h h LEU 78 N 0.00 0.83 -1.30 1.54 4.07 -1.73 0.26 115.31 118.98 3f3h h LEU 78 Ca -0.00 -0.03 0.03 0.00 0.08 0.00 0.00 57.88 57.96 3f3h h LEU 78 Cb 0.02 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 3f3h h LEU 78 CO 0.00 0.62 0.49 -0.33 -1.08 0.00 0.00 178.44 178.14 3f3h h GLU 79 N 0.97 0.89 0.07 1.13 5.08 -1.73 0.28 114.58 121.27 3f3h h GLU 79 Ca 0.26 -0.05 -0.29 0.00 -1.00 0.00 0.00 59.36 58.28 3f3h h GLU 79 Cb -0.08 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 3f3h h GLU 79 CO -0.05 0.59 -1.51 1.88 -1.00 0.00 0.00 179.01 178.91 3f3h h TYR 80 N 0.92 0.26 -0.98 4.33 0.05 -1.27 -3.40 116.97 116.88 3f3h h TYR 80 Ca 0.29 -0.19 -0.64 0.00 0.05 0.00 0.00 58.73 58.24 3f3h h TYR 80 Cb 0.03 -0.01 -0.34 0.00 1.01 0.00 0.00 36.73 37.43 3f3h h TYR 80 CO -0.00 1.24 0.32 -1.71 -1.05 0.00 0.00 178.16 176.96 3f3h n ASN 81 N -3.33 6.76 -1.13 3.88 4.05 0.78 -4.90 115.26 121.38 3f3h n ASN 81 Ca -0.15 -3.78 -0.15 0.00 0.45 0.00 0.00 54.58 50.96 3f3h n ASN 81 Cb 1.03 -0.77 -0.06 0.00 1.23 0.00 0.00 39.78 41.20 3f3h n ASN 81 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 3f3h n SER 82 N -0.83 -4.78 0.00 1.20 7.64 -1.22 -2.89 113.62 112.73 3f3h n SER 82 Ca 0.56 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3f3h n SER 82 Cb 0.74 -3.59 0.00 0.00 -1.01 0.00 0.00 64.21 60.35 3f3h n SER 82 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f3h n GLY 83 N -1.16 0.96 3.09 0.23 0.00 0.98 -5.06 105.19 104.24 3f3h n GLY 83 Ca -0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 3f3h n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f3h s TYR 84 N -2.00 0.90 1.15 1.61 2.02 -1.14 -4.92 117.35 114.97 3f3h s TYR 84 Ca 0.00 -0.41 -0.19 0.00 -0.37 0.00 0.00 57.07 56.09 3f3h s TYR 84 Cb 0.00 -0.53 0.28 0.00 -0.40 0.00 0.00 41.96 41.31 3f3h s TYR 84 CO 0.00 -0.02 1.14 0.41 -1.57 0.00 0.00 175.55 175.52 3f3h n GLY 85 N 1.68 -2.43 3.24 0.71 0.00 -1.26 -4.20 105.19 102.93 3f3h n GLY 85 Ca -0.20 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 3f3h n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f3h s ILE 86 N -3.20 2.66 0.23 -0.61 -1.09 0.18 -4.86 121.20 114.52 3f3h s ILE 86 Ca 0.71 -0.76 -0.32 0.00 -2.23 0.00 0.00 60.65 58.06 3f3h s ILE 86 Cb -0.06 -2.14 -0.13 0.00 -1.58 0.00 0.00 42.46 38.55 3f3h s ILE 86 CO 0.53 0.50 1.49 0.00 -1.23 0.00 0.00 174.94 176.24 3f3h n ALA 87 N 4.29 1.51 1.49 9.38 0.00 -1.26 0.90 120.51 136.82 3f3h n ALA 87 Ca -0.19 0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.72 3f3h n ALA 87 Cb 0.51 -2.34 0.35 0.00 0.00 0.00 0.00 19.45 17.97 3f3h n ALA 87 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3f3h n ASP 88 N 2.49 0.00 0.18 0.00 5.68 0.63 -1.53 116.55 124.00 3f3h n ASP 88 Ca 0.12 -1.13 0.12 0.00 -0.50 0.00 0.00 54.79 53.41 3f3h n ASP 88 Cb 0.32 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.52 3f3h n ASP 88 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3f3h h THR 89 N 0.00 0.00 -4.32 2.12 1.35 -1.88 -3.47 112.91 106.72 3f3h h THR 89 Ca 0.00 -0.85 -0.51 0.00 -0.55 0.00 0.00 66.41 64.50 3f3h h THR 89 Cb 0.00 1.80 0.10 0.00 -1.73 0.00 0.00 68.15 68.32 3f3h h THR 89 CO 0.00 0.00 0.36 0.20 -0.25 0.00 0.00 175.52 175.83 3f3h s ASN 90 N -5.65 5.22 -0.09 5.36 -0.87 -0.58 -5.06 114.94 113.27 3f3h s ASN 90 Ca 0.07 1.69 -0.18 0.00 -1.57 0.00 0.00 52.86 52.88 3f3h s ASN 90 Cb 0.08 -2.51 -0.05 0.00 -0.02 0.00 0.00 41.25 38.75 3f3h s ASN 90 CO 0.66 -1.55 0.47 -0.89 -2.57 0.00 0.00 177.10 173.22 3f3h s THR 91 N -2.94 5.14 -0.13 1.60 2.01 -1.26 -4.53 115.64 115.53 3f3h s THR 91 Ca 0.59 0.95 0.02 0.00 0.31 0.00 0.00 61.69 63.56 3f3h s THR 91 Cb -0.15 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.57 3f3h s THR 91 CO 0.53 0.37 -0.18 -0.63 -0.69 0.00 0.00 174.62 174.02 3f3h s ILE 92 N 0.31 1.78 -0.05 1.82 1.01 -0.21 -0.16 121.20 125.70 3f3h s ILE 92 Ca 0.26 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.15 3f3h s ILE 92 Cb -0.16 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 3f3h s ILE 92 CO 0.11 0.50 -0.18 -1.10 0.00 0.00 0.00 174.94 174.26 3f3h s GLN 93 N 1.00 2.48 -0.12 2.79 -0.21 0.32 -0.16 119.66 125.76 3f3h s GLN 93 Ca -0.05 -0.78 0.02 0.00 0.02 0.00 0.00 55.36 54.58 3f3h s GLN 93 Cb -0.15 -2.29 0.01 0.00 1.00 0.00 0.00 33.01 31.59 3f3h s GLN 93 CO -0.04 0.55 -0.18 0.08 -2.12 0.00 0.00 175.29 173.58 3f3h s VAL 94 N -0.55 1.73 -0.07 1.09 1.01 0.79 -1.31 120.40 123.10 3f3h s VAL 94 Ca 0.07 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3f3h s VAL 94 Cb -0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3f3h s VAL 94 CO 0.01 0.49 -0.21 -0.36 0.00 0.00 0.00 175.10 175.03 3f3h s PHE 95 N 0.84 2.56 -0.04 5.22 0.08 0.28 -0.48 117.98 126.44 3f3h s PHE 95 Ca -0.09 -0.58 -0.21 0.00 0.12 0.00 0.00 56.93 56.18 3f3h s PHE 95 Cb -0.15 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 3f3h s PHE 95 CO -0.00 -0.12 0.62 0.54 -0.10 0.00 0.00 175.22 176.15 3f3h s VAL 96 N -0.22 5.00 -0.25 -0.44 0.11 0.03 -0.70 120.40 123.92 3f3h s VAL 96 Ca -0.01 1.28 -0.10 0.00 -2.93 0.00 0.00 61.98 60.22 3f3h s VAL 96 Cb -0.13 -3.96 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 3f3h s VAL 96 CO 0.03 0.34 0.14 -0.69 -3.33 0.00 0.00 175.10 171.60 3f3h s VAL 97 N 0.29 5.04 -0.31 2.04 1.01 0.83 -1.58 120.40 127.72 3f3h s VAL 97 Ca 0.33 0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.09 3f3h s VAL 97 Cb -0.18 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.84 3f3h s VAL 97 CO 0.17 0.32 1.25 -0.62 0.00 0.00 0.00 175.10 176.21 3f3h s ASP 98 N 1.41 6.71 0.27 3.32 -1.08 -0.81 -2.93 116.67 123.57 3f3h s ASP 98 Ca 0.07 1.14 0.24 0.00 -0.52 0.00 0.00 52.55 53.48 3f3h s ASP 98 Cb -0.15 -2.54 0.99 0.00 -1.46 0.00 0.00 42.92 39.76 3f3h s ASP 98 CO 0.07 -1.05 1.72 -0.81 0.52 0.00 0.00 175.17 175.61 3f3h n PRO 99 N 7.26 0.20 0.19 4.34 -0.04 -1.26 -0.27 135.00 145.42 3f3h n PRO 99 Ca 0.14 0.42 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 3f3h n PRO 99 Cb 0.47 -1.88 0.11 0.00 -0.04 0.00 0.00 33.50 32.15 3f3h n PRO 99 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3f3h h ASP 100 N 0.00 0.00 0.00 3.54 5.19 -1.97 -3.38 116.42 119.80 3f3h h ASP 100 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3f3h h ASP 100 Cb 0.37 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.88 3f3h h ASP 100 CO 0.00 0.22 -0.39 0.35 -3.12 0.00 0.00 179.24 176.30 3f3h n THR 101 N -3.15 0.00 -1.47 0.35 -2.24 -1.07 -5.02 114.28 101.68 3f3h n THR 101 Ca 0.03 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.64 3f3h n THR 101 Cb 0.62 0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 69.03 3f3h n THR 101 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3f3h n ASN 102 N -0.60 -5.05 -4.77 3.42 4.13 0.63 -5.02 115.26 107.99 3f3h n ASN 102 Ca 0.00 0.40 -0.38 0.00 1.68 0.00 0.00 54.58 56.28 3f3h n ASN 102 Cb 0.00 -3.97 -0.05 0.00 -1.54 0.00 0.00 39.78 34.22 3f3h n ASN 102 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3f3h s ASN 103 N -2.78 7.21 -0.02 6.41 0.01 -1.25 -4.86 114.94 119.66 3f3h s ASN 103 Ca 0.00 2.00 -0.02 0.00 -0.71 0.00 0.00 52.86 54.13 3f3h s ASN 103 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 3f3h s ASN 103 CO 0.00 -0.17 0.14 -1.81 -1.51 0.00 0.00 177.10 173.75 3f3h s ASP 104 N -1.38 6.09 -0.05 -1.22 1.01 -1.26 -1.92 116.67 117.94 3f3h s ASP 104 Ca 0.50 0.28 -0.02 0.00 0.71 0.00 0.00 52.55 54.02 3f3h s ASP 104 Cb -0.23 -1.86 0.03 0.00 1.01 0.00 0.00 42.92 41.87 3f3h s ASP 104 CO 0.30 0.28 0.04 -0.36 0.21 0.00 0.00 175.17 175.64 3f3h s PHE 105 N -1.24 0.24 0.20 4.23 0.08 -0.61 -4.97 117.98 115.91 3f3h s PHE 105 Ca 0.24 0.11 -0.32 0.00 0.12 0.00 0.00 56.93 57.08 3f3h s PHE 105 Cb -0.12 -0.58 -0.12 0.00 -0.57 0.00 0.00 43.02 41.62 3f3h s PHE 105 CO 0.15 -0.24 1.68 1.51 -0.10 0.00 0.00 175.22 178.22 3f3h n ILE 106 N 5.26 0.06 0.00 0.64 0.13 -1.26 -0.79 119.36 123.40 3f3h n ILE 106 Ca -0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 3f3h n ILE 106 Cb 0.50 -1.87 0.00 0.00 -0.84 0.00 0.00 39.64 37.43 3f3h n ILE 106 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3f3h n ILE 107 N 3.72 0.00 -3.66 9.51 0.13 0.37 -4.88 119.36 124.55 3f3h n ILE 107 Ca 0.16 -0.06 -0.12 0.00 -1.10 0.00 0.00 62.75 61.63 3f3h n ILE 107 Cb 0.33 0.53 -0.08 0.00 -0.84 0.00 0.00 39.64 39.58 3f3h n ILE 107 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3f3h s ALA 108 N -0.39 -1.56 -0.05 1.51 0.00 -1.01 -4.75 121.76 115.52 3f3h s ALA 108 Ca 0.00 1.88 -0.01 0.00 0.00 0.00 0.00 51.96 53.83 3f3h s ALA 108 Cb 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 22.05 3f3h s ALA 108 CO 0.00 -0.31 0.03 -1.14 0.00 0.00 0.00 175.76 174.34 3f3h s GLN 109 N 0.76 0.22 -0.13 0.00 0.74 -1.26 -0.15 119.66 119.85 3f3h s GLN 109 Ca -0.03 0.24 -0.17 0.00 0.05 0.00 0.00 55.36 55.44 3f3h s GLN 109 Cb -0.05 -0.67 -0.04 0.00 1.10 0.00 0.00 33.01 33.35 3f3h s GLN 109 CO -0.06 -0.29 0.43 -0.46 -0.55 0.00 0.00 175.29 174.36 3f3h s TRP 110 N 1.92 3.50 0.00 1.67 -0.11 0.77 -4.96 118.94 121.73 3f3h s TRP 110 Ca 0.03 0.81 0.00 0.00 1.22 0.00 0.00 56.10 58.16 3f3h s TRP 110 Cb -0.12 -2.50 0.00 0.00 -1.50 0.00 0.00 33.47 29.35 3f3h s TRP 110 CO -0.04 0.19 0.00 0.09 -4.62 0.00 0.00 176.95 172.57