#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f8h s LEU -4 N 0.00 4.19 0.07 3.41 1.43 -1.26 -5.10 118.68 121.42 3f8h s LEU -4 Ca 0.00 0.37 0.07 0.00 -1.03 0.00 0.00 54.13 53.54 3f8h s LEU -4 Cb 0.00 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3f8h s LEU -4 CO 0.00 0.38 -0.18 -0.31 0.23 0.00 0.00 176.35 176.47 3f8h s TYR -3 N -0.84 1.54 0.10 0.29 2.02 -1.26 -4.28 117.35 114.93 3f8h s TYR -3 Ca 0.14 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3f8h s TYR -3 Cb -0.12 -0.87 0.00 0.00 -0.40 0.00 0.00 41.96 40.57 3f8h s TYR -3 CO 0.03 0.11 0.15 1.97 -1.57 0.00 0.00 175.55 176.25 3f8h n PHE -2 N 1.43 -0.80 0.55 2.71 -1.74 0.02 -4.87 117.46 114.77 3f8h n PHE -2 Ca -0.19 -0.67 0.13 0.00 -0.56 0.00 0.00 57.45 56.16 3f8h n PHE -2 Cb 0.54 0.17 0.42 0.00 1.52 0.00 0.00 39.48 42.13 3f8h n PHE -2 CO 0.00 0.00 0.00 -0.56 -0.56 0.00 0.00 176.76 175.64 3f8h h GLN -1 N 0.00 0.00 0.00 3.97 3.07 -1.94 0.42 115.11 120.63 3f8h h GLN -1 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.66 3f8h h GLN -1 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 3f8h h GLN -1 CO 0.11 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.44 3f8h n GLY 0 N 0.99 -0.11 0.00 0.06 0.00 -1.26 -4.59 105.19 100.28 3f8h n GLY 0 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3f8h n GLY 0 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3f8h n ASN 2 N 0.02 0.00 -0.04 1.61 3.02 -1.26 -4.99 115.26 113.62 3f8h n ASN 2 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 3f8h n ASN 2 Cb 0.00 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.52 3f8h n ASN 2 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3f8h h ASP 3 N 0.57 0.56 -0.53 6.41 3.58 -1.99 0.14 116.42 125.16 3f8h h ASP 3 Ca 0.00 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.32 3f8h h ASP 3 Cb 0.00 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 3f8h h ASP 3 CO 0.00 0.47 0.00 0.74 -2.88 0.00 0.00 179.24 177.58 3f8h h THR 4 N 0.63 1.26 -0.30 2.25 2.02 -1.96 -0.77 112.91 116.05 3f8h h THR 4 Ca 0.16 -1.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.14 3f8h h THR 4 Cb 0.06 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3f8h h THR 4 CO -0.02 0.40 -0.22 0.40 0.37 0.00 0.00 175.52 176.44 3f8h h ILE 5 N 0.89 1.30 -0.62 3.11 1.08 -1.68 -0.84 117.51 120.75 3f8h h ILE 5 Ca 0.16 -1.36 0.02 0.00 -0.39 0.00 0.00 64.86 63.29 3f8h h ILE 5 Cb 0.52 1.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.76 3f8h h ILE 5 CO 0.03 0.44 0.40 0.00 -0.69 0.00 0.00 178.15 178.32 3f8h h ALA 6 N 0.73 0.79 -0.78 1.87 0.00 -0.83 -1.83 119.26 119.21 3f8h h ALA 6 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3f8h h ALA 6 Cb 0.77 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3f8h h ALA 6 CO 0.06 0.17 0.39 0.00 0.00 0.00 0.00 179.25 179.87 3f8h h ARG 7 N 0.80 1.12 -0.15 0.00 3.08 -0.92 0.04 114.38 118.34 3f8h h ARG 7 Ca 0.24 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 3f8h h ARG 7 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3f8h h ARG 7 CO -0.07 0.85 0.07 -0.92 -1.07 0.00 0.00 179.97 178.82 3f8h h TYR 8 N 1.11 0.22 -0.10 3.04 3.20 -0.68 -0.38 116.97 123.38 3f8h h TYR 8 Ca 0.27 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.92 3f8h h TYR 8 Cb 0.09 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3f8h h TYR 8 CO 0.01 0.28 -0.77 0.74 -1.64 0.00 0.00 178.16 176.78 3f8h h PHE 9 N 0.10 0.76 -1.00 -3.82 0.04 -1.16 -1.95 116.94 109.91 3f8h h PHE 9 Ca 0.05 -0.34 0.04 0.00 2.80 0.00 0.00 57.97 60.51 3f8h h PHE 9 Cb 0.15 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.12 3f8h h PHE 9 CO -0.02 1.14 0.66 -0.44 -0.60 0.00 0.00 178.31 179.04 3f8h h ASP 10 N 0.38 1.10 -0.49 2.17 3.32 -0.88 -0.53 116.42 121.48 3f8h h ASP 10 Ca -0.04 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 3f8h h ASP 10 Cb 1.37 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3f8h h ASP 10 CO 0.14 0.75 -0.06 0.00 -1.72 0.00 0.00 179.24 178.35 3f8h h ALA 11 N 1.41 0.67 -0.05 3.45 0.00 -0.90 -1.18 119.26 122.66 3f8h h ALA 11 Ca 0.40 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3f8h h ALA 11 Cb -0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3f8h h ALA 11 CO -0.12 0.53 -0.07 0.35 0.00 0.00 0.00 179.25 179.94 3f8h h PHE 12 N 0.76 -0.17 0.00 0.00 3.04 -0.90 0.17 116.94 119.84 3f8h h PHE 12 Ca 0.13 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 3f8h h PHE 12 Cb 0.60 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.19 3f8h h PHE 12 CO 0.04 -0.11 -0.14 -0.91 -2.02 0.00 0.00 178.31 175.18 3f8h h ASN 13 N -0.10 0.00 0.28 0.41 2.35 -0.78 -1.16 115.58 116.59 3f8h h ASN 13 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3f8h h ASN 13 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3f8h h ASN 13 CO -0.11 0.14 -0.15 0.00 -1.65 0.00 0.00 177.43 175.66 3f8h n ALA 14 N -2.37 2.86 -1.49 -0.83 0.00 -0.48 -4.90 120.51 113.29 3f8h n ALA 14 Ca -0.02 -0.33 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 3f8h n ALA 14 Cb 0.23 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 3f8h n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f8h n GLY 15 N 1.29 0.67 3.36 0.00 0.00 -0.43 -4.97 105.19 105.11 3f8h n GLY 15 Ca 0.14 -0.68 -0.46 0.00 0.00 0.00 0.00 46.02 45.02 3f8h n GLY 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3f8h s ASP 16 N -2.85 6.86 0.51 1.61 2.15 0.46 -4.86 116.67 120.55 3f8h s ASP 16 Ca 0.00 -2.76 0.25 0.00 0.43 0.00 0.00 52.55 50.47 3f8h s ASP 16 Cb 0.00 -2.25 1.36 0.00 -0.30 0.00 0.00 42.92 41.74 3f8h s ASP 16 CO 0.00 -0.61 2.05 0.71 -0.17 0.00 0.00 175.17 177.15 3f8h h THR 17 N 4.75 0.66 -0.52 1.71 1.35 -1.93 -2.64 112.91 116.29 3f8h h THR 17 Ca 0.14 -0.57 -0.09 0.00 -0.55 0.00 0.00 66.41 65.34 3f8h h THR 17 Cb 1.00 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.76 3f8h h THR 17 CO 0.88 0.13 -0.04 0.44 -0.25 0.00 0.00 175.52 176.68 3f8h h ASP 18 N 0.00 0.93 0.00 5.36 3.32 -1.95 0.12 116.42 124.19 3f8h h ASP 18 Ca -0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.72 3f8h h ASP 18 Cb 0.34 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3f8h h ASP 18 CO 0.02 1.03 0.00 0.61 -1.72 0.00 0.00 179.24 179.18 3f8h n GLY 19 N -0.34 0.56 0.16 2.75 0.00 -0.99 -1.36 105.19 105.98 3f8h n GLY 19 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3f8h n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3f8h n LEU 21 N 0.71 0.00 0.28 0.99 4.77 0.40 -3.29 117.00 120.86 3f8h n LEU 21 Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 3f8h n LEU 21 Cb 0.13 0.00 0.81 0.00 -2.33 0.00 0.00 43.42 42.03 3f8h n LEU 21 CO 0.00 0.00 1.02 0.00 -1.33 0.00 0.00 177.39 177.08 3f8h h ALA 22 N 0.00 1.14 -0.00 -1.18 0.00 -1.46 -1.97 119.26 115.78 3f8h h ALA 22 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3f8h h ALA 22 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3f8h h ALA 22 CO 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 179.25 179.24 3f8h s LEU 24 N -2.39 3.55 0.63 0.00 1.43 -0.74 -0.21 118.68 120.95 3f8h s LEU 24 Ca 0.31 -0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 3f8h s LEU 24 Cb 0.20 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3f8h s LEU 24 CO 0.46 0.24 1.04 -0.94 0.23 0.00 0.00 176.35 177.37 3f8h s SER 25 N -1.85 5.97 0.56 2.29 1.04 -0.25 -4.80 113.70 116.65 3f8h s SER 25 Ca 0.22 1.52 0.31 0.00 0.48 0.00 0.00 55.95 58.48 3f8h s SER 25 Cb -0.12 -2.48 1.68 0.00 0.10 0.00 0.00 66.02 65.20 3f8h s SER 25 CO 0.14 -1.05 2.16 -0.33 0.98 0.00 0.00 173.24 175.14 3f8h h GLU 26 N -0.31 0.00 -0.54 4.02 4.39 -1.96 -2.47 114.58 117.71 3f8h h GLU 26 Ca -0.44 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.12 3f8h h GLU 26 Cb 1.20 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.77 3f8h h GLU 26 CO 0.60 0.06 0.12 -0.40 -1.16 0.00 0.00 179.01 178.24 3f8h n ASP 27 N -3.58 4.33 -4.63 1.42 5.75 -1.26 -4.14 116.55 114.43 3f8h n ASP 27 Ca -0.02 -3.22 -0.49 0.00 -0.01 0.00 0.00 54.79 51.05 3f8h n ASP 27 Cb 0.18 -0.67 -0.05 0.00 -1.03 0.00 0.00 41.12 39.55 3f8h n ASP 27 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 3f8h n VAL 28 N -0.33 0.00 -3.68 2.12 3.14 -0.93 -4.54 118.33 114.11 3f8h n VAL 28 Ca 0.33 -0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 61.32 3f8h n VAL 28 Cb 1.19 -1.19 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 3f8h n VAL 28 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3f8h s ALA 29 N 0.72 3.17 -0.39 1.55 0.00 -0.33 -0.01 121.76 126.47 3f8h s ALA 29 Ca 0.82 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 3f8h s ALA 29 Cb -0.81 -2.39 0.02 0.00 0.00 0.00 0.00 23.12 19.93 3f8h s ALA 29 CO 0.42 -1.22 0.28 -1.58 0.00 0.00 0.00 175.76 173.66 3f8h s HIS 30 N 1.51 3.24 -0.77 0.00 2.46 0.27 -1.43 115.29 120.56 3f8h s HIS 30 Ca 0.01 -0.59 -0.20 0.00 0.47 0.00 0.00 55.06 54.75 3f8h s HIS 30 Cb -0.19 -2.55 0.11 0.00 -0.13 0.00 0.00 32.58 29.82 3f8h s HIS 30 CO 0.05 -0.57 0.98 -1.01 -2.47 0.00 0.00 174.74 171.72 3f8h s HIS 31 N 1.67 2.95 0.13 3.88 3.76 0.02 0.27 115.29 127.97 3f8h s HIS 31 Ca 0.05 -1.02 -0.31 0.00 -0.15 0.00 0.00 55.06 53.62 3f8h s HIS 31 Cb -0.19 -4.23 -0.08 0.00 1.11 0.00 0.00 32.58 29.19 3f8h s HIS 31 CO 0.10 -1.50 1.40 0.08 -0.85 0.00 0.00 174.74 173.96 3f8h s VAL 32 N 3.12 3.21 0.14 -0.90 1.01 -0.40 -3.73 120.40 122.84 3f8h s VAL 32 Ca 0.25 0.89 -0.32 0.00 0.00 0.00 0.00 61.98 62.79 3f8h s VAL 32 Cb -0.13 -3.57 -0.12 0.00 0.00 0.00 0.00 36.38 32.57 3f8h s VAL 32 CO 0.00 0.08 1.76 -3.20 0.00 0.00 0.00 175.10 173.74 3f8h n ASN 33 N 3.75 3.78 -1.55 3.32 5.15 -1.25 -0.48 115.26 127.98 3f8h n ASN 33 Ca 0.11 1.03 -0.20 0.00 -0.60 0.00 0.00 54.58 54.92 3f8h n ASN 33 Cb 0.42 -1.51 -0.08 0.00 -0.53 0.00 0.00 39.78 38.07 3f8h n ASN 33 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3f8h n GLU 34 N 4.80 -1.45 0.00 1.20 -0.58 -1.26 -4.88 120.64 118.46 3f8h n GLU 34 Ca 0.18 1.17 0.00 0.00 -0.42 0.00 0.00 57.16 58.09 3f8h n GLU 34 Cb 0.34 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 25.67 3f8h n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f8h n GLY 35 N -0.35 5.27 3.98 0.62 0.00 0.37 -5.18 105.19 109.90 3f8h n GLY 35 Ca -0.20 -1.47 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 3f8h n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3f8h s ASN 36 N 1.00 4.83 -0.26 1.61 0.02 -1.26 -4.71 114.94 116.17 3f8h s ASN 36 Ca 0.00 -1.09 -0.10 0.00 -1.02 0.00 0.00 52.86 50.65 3f8h s ASN 36 Cb 0.00 0.47 -0.05 0.00 0.02 0.00 0.00 41.25 41.69 3f8h s ASN 36 CO 0.00 -1.29 0.17 -0.63 0.02 0.00 0.00 177.10 175.37 3f8h s ILE 37 N -2.75 5.19 -0.18 0.60 1.01 -1.26 -1.28 121.20 122.53 3f8h s ILE 37 Ca 0.48 0.13 -0.04 0.00 0.00 0.00 0.00 60.65 61.22 3f8h s ILE 37 Cb -0.04 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.96 3f8h s ILE 37 CO 0.30 0.29 -0.04 -0.13 0.00 0.00 0.00 174.94 175.37 3f8h s ARG 38 N 1.54 3.55 -0.16 2.79 0.52 0.14 -4.91 118.95 122.42 3f8h s ARG 38 Ca 0.07 -0.56 -0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3f8h s ARG 38 Cb -0.15 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.32 3f8h s ARG 38 CO 0.08 0.05 0.02 0.08 0.02 0.00 0.00 175.30 175.55 3f8h s VAL 39 N 0.86 4.42 0.00 3.52 1.01 -1.26 -0.57 120.40 128.38 3f8h s VAL 39 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3f8h s VAL 39 Cb -0.15 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3f8h s VAL 39 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3f8h n GLY 40 N 3.34 1.02 0.13 4.51 0.00 0.98 -4.52 105.19 110.65 3f8h n GLY 40 Ca -0.17 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 43.99 3f8h n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3f8h h LYS 41 N 0.00 0.00 -0.45 1.61 1.57 -1.83 -1.93 116.57 115.54 3f8h h LYS 41 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3f8h h LYS 41 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3f8h h LYS 41 CO 0.00 0.63 0.19 0.93 -0.57 0.00 0.00 179.45 180.63 3f8h h GLU 42 N 0.00 0.68 -0.40 3.15 5.08 -1.94 -0.23 114.58 120.92 3f8h h GLU 42 Ca -0.01 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 3f8h h GLU 42 Cb 1.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3f8h h GLU 42 CO 0.08 0.61 -0.21 0.87 -1.00 0.00 0.00 179.01 179.37 3f8h h LYS 43 N 0.59 0.78 -0.57 2.33 1.57 -1.77 -2.27 116.57 117.24 3f8h h LYS 43 Ca 0.15 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 3f8h h LYS 43 Cb 0.19 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3f8h h LYS 43 CO -0.01 0.92 0.03 0.35 -0.57 0.00 0.00 179.45 180.17 3f8h h PHE 44 N 0.68 1.06 -0.58 -1.35 3.04 -1.03 -0.16 116.94 118.59 3f8h h PHE 44 Ca 0.10 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 3f8h h PHE 44 Cb 0.71 -0.28 -0.03 0.00 2.56 0.00 0.00 35.95 38.92 3f8h h PHE 44 CO 0.04 0.94 0.25 0.00 -2.02 0.00 0.00 178.31 177.52 3f8h h ALA 45 N 0.98 0.76 -0.83 2.41 0.00 -0.91 0.42 119.26 122.07 3f8h h ALA 45 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3f8h h ALA 45 Cb 0.50 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3f8h h ALA 45 CO 0.02 0.36 0.44 0.00 0.00 0.00 0.00 179.25 180.06 3f8h h ALA 46 N 1.09 1.07 -0.48 0.00 0.00 -1.18 -0.69 119.26 119.08 3f8h h ALA 46 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3f8h h ALA 46 Cb 0.18 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3f8h h ALA 46 CO -0.02 0.60 0.16 0.35 0.00 0.00 0.00 179.25 180.35 3f8h h PHE 47 N 1.17 0.76 -0.71 0.00 3.57 -0.34 -1.21 116.94 120.18 3f8h h PHE 47 Ca 0.29 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 3f8h h PHE 47 Cb 0.07 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3f8h h PHE 47 CO 0.01 0.66 0.34 0.00 -2.23 0.00 0.00 178.31 177.08 3f8h h ALA 49 N 1.16 1.31 0.00 0.00 0.00 -0.68 -0.09 119.26 120.95 3f8h h ALA 49 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3f8h h ALA 49 Cb 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3f8h h ALA 49 CO -0.03 0.61 0.00 1.58 0.00 0.00 0.00 179.25 181.41 3f8h n HIS 50 N -4.37 0.00 0.00 0.00 -0.00 -0.50 -1.68 115.22 108.67 3f8h n HIS 50 Ca 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 3f8h n HIS 50 Cb 0.05 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3f8h n HIS 50 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3f8h n SER 52 N 0.45 0.00 0.10 0.26 2.88 -0.05 -1.93 113.62 115.33 3f8h n SER 52 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 3f8h n SER 52 Cb 0.08 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.41 3f8h n SER 52 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 3f8h h HIS 53 N 0.00 0.99 0.02 0.66 6.17 -1.58 -3.38 115.15 118.02 3f8h h HIS 53 Ca 0.00 -0.64 -0.28 0.00 0.71 0.00 0.00 60.37 60.16 3f8h h HIS 53 Cb 0.00 -0.07 -0.04 0.00 2.52 0.00 0.00 27.41 29.82 3f8h h HIS 53 CO 0.00 1.48 -1.55 0.00 0.71 0.00 0.00 177.93 178.57 3f8h s TYR 55 N -2.62 0.34 -0.18 0.00 2.02 -1.26 -0.16 117.35 115.48 3f8h s TYR 55 Ca -0.05 -0.53 0.01 0.00 -0.37 0.00 0.00 57.07 56.14 3f8h s TYR 55 Cb 0.08 -0.23 0.02 0.00 -0.40 0.00 0.00 41.96 41.44 3f8h s TYR 55 CO 0.82 -0.17 -0.18 0.21 -1.57 0.00 0.00 175.55 174.66 3f8h s LYS 56 N -1.49 2.79 0.04 -0.62 2.47 -0.51 -4.40 119.74 118.03 3f8h s LYS 56 Ca -0.15 -0.80 0.02 0.00 -1.56 0.00 0.00 55.97 53.48 3f8h s LYS 56 Cb -0.10 -2.49 -0.02 0.00 -1.46 0.00 0.00 37.83 33.76 3f8h s LYS 56 CO -0.01 -0.24 -0.08 -1.21 0.16 0.00 0.00 175.35 173.97 3f8h s GLU 57 N 1.32 0.55 -0.00 4.03 2.02 -1.26 -0.92 118.70 124.44 3f8h s GLU 57 Ca 0.04 -0.78 0.02 0.00 0.02 0.00 0.00 54.97 54.27 3f8h s GLU 57 Cb -0.13 -0.32 -0.01 0.00 0.10 0.00 0.00 34.13 33.77 3f8h s GLU 57 CO -0.12 0.05 -0.07 -1.21 0.02 0.00 0.00 175.26 173.93 3f8h s GLU 58 N -1.64 0.56 -0.17 1.61 0.41 0.26 -4.87 118.70 114.85 3f8h s GLU 58 Ca -0.09 -0.28 -0.11 0.00 -0.41 0.00 0.00 54.97 54.08 3f8h s GLU 58 Cb -0.10 -0.53 -0.05 0.00 -1.78 0.00 0.00 34.13 31.68 3f8h s GLU 58 CO 0.00 0.14 0.20 -0.51 -0.49 0.00 0.00 175.26 174.60 3f8h s LEU 59 N -0.26 4.25 0.36 1.80 1.43 -1.26 -0.77 118.68 124.23 3f8h s LEU 59 Ca 0.02 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.54 3f8h s LEU 59 Cb -0.03 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 3f8h s LEU 59 CO -0.00 0.19 0.14 0.42 0.23 0.00 0.00 176.35 177.33 3f8h s THR 60 N 0.17 0.52 0.17 5.49 -4.23 -0.18 -4.97 115.64 112.61 3f8h s THR 60 Ca 0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3f8h s THR 60 Cb -0.12 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.25 3f8h s THR 60 CO 0.01 0.00 0.00 0.47 -0.54 0.00 0.00 174.62 174.56 3f8h n ASP 61 N -1.12 -6.32 0.00 3.99 8.00 -1.26 -0.76 116.55 119.08 3f8h n ASP 61 Ca -0.02 1.29 0.00 0.00 0.71 0.00 0.00 54.79 56.77 3f8h n ASP 61 Cb 0.65 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 3f8h n ASP 61 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3f8h n VAL 63 N 1.56 0.00 -3.59 2.53 0.31 0.11 -4.34 118.33 114.91 3f8h n VAL 63 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.93 3f8h n VAL 63 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 3f8h n VAL 63 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3f8h s ILE 64 N 0.00 4.68 0.40 2.52 1.01 -1.26 -1.01 121.20 127.53 3f8h s ILE 64 Ca 0.00 -0.74 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 3f8h s ILE 64 Cb 0.00 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.82 3f8h s ILE 64 CO 0.00 -0.18 1.09 -0.36 0.00 0.00 0.00 174.94 175.49 3f8h s PHE 65 N 1.58 3.20 0.53 3.97 0.40 -0.57 -5.02 117.98 122.07 3f8h s PHE 65 Ca 0.03 1.62 -0.21 0.00 -0.60 0.00 0.00 56.93 57.77 3f8h s PHE 65 Cb -0.19 -3.23 -0.05 0.00 0.51 0.00 0.00 43.02 40.06 3f8h s PHE 65 CO 0.07 -0.88 1.24 0.00 0.70 0.00 0.00 175.22 176.35 3f8h s ALA 66 N -1.55 2.77 0.13 5.36 0.00 -1.26 -4.68 121.76 122.53 3f8h s ALA 66 Ca 0.57 1.08 0.10 0.00 0.00 0.00 0.00 51.96 53.71 3f8h s ALA 66 Cb -0.25 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 3f8h s ALA 66 CO 0.32 -1.05 -0.23 -0.08 0.00 0.00 0.00 175.76 174.72 3f8h s THR 67 N -1.49 2.00 -1.25 0.00 -1.32 0.14 -4.81 115.64 108.90 3f8h s THR 67 Ca 0.71 -1.73 0.27 0.00 -1.21 0.00 0.00 61.69 59.73 3f8h s THR 67 Cb -0.33 -1.82 0.23 0.00 -1.51 0.00 0.00 72.50 69.07 3f8h s THR 67 CO 0.38 -0.05 1.72 -0.81 -2.21 0.00 0.00 174.62 173.64 3f8h n PRO 68 N 0.81 0.27 -3.67 7.08 -0.04 -1.26 -0.80 135.00 137.38 3f8h n PRO 68 Ca -0.17 -0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.09 3f8h n PRO 68 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 3f8h n PRO 68 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3f8h s ASP 69 N -2.80 -0.24 0.66 3.54 -1.08 -1.26 -4.93 116.67 110.55 3f8h s ASP 69 Ca 0.18 0.88 0.35 0.00 -0.52 0.00 0.00 52.55 53.44 3f8h s ASP 69 Cb 0.19 1.02 1.94 0.00 -1.46 0.00 0.00 42.92 44.61 3f8h s ASP 69 CO 0.57 -0.22 2.11 0.00 0.52 0.00 0.00 175.17 178.15 3f8h h ALA 70 N 7.82 1.26 -0.13 3.66 0.00 -1.94 -0.89 119.26 129.04 3f8h h ALA 70 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3f8h h ALA 70 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3f8h h ALA 70 CO 0.19 -0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.48 3f8h n THR 71 N -3.05 0.16 -4.03 0.00 -2.24 -1.26 -4.74 114.28 99.12 3f8h n THR 71 Ca -0.02 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.37 3f8h n THR 71 Cb 0.26 0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.63 3f8h n THR 71 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3f8h s ARG 72 N -1.84 0.45 0.16 -0.78 1.81 -0.34 -0.77 118.95 117.64 3f8h s ARG 72 Ca 0.32 -0.73 -0.15 0.00 -1.72 0.00 0.00 55.73 53.45 3f8h s ARG 72 Cb 0.17 -0.12 0.02 0.00 -0.45 0.00 0.00 34.95 34.57 3f8h s ARG 72 CO 0.26 0.01 0.41 0.00 -0.68 0.00 0.00 175.30 175.30 3f8h s ALA 73 N -1.53 -0.73 -0.10 2.13 0.00 -0.66 -4.73 121.76 116.14 3f8h s ALA 73 Ca -0.11 -0.30 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 3f8h s ALA 73 Cb -0.09 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.84 3f8h s ALA 73 CO -0.01 -0.70 0.42 0.00 0.00 0.00 0.00 175.76 175.48 3f8h s ALA 74 N -3.86 -1.06 -0.02 0.00 0.00 -1.26 -0.98 121.76 114.57 3f8h s ALA 74 Ca 0.08 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 3f8h s ALA 74 Cb 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3f8h s ALA 74 CO -0.06 -0.24 0.17 0.00 0.00 0.00 0.00 175.76 175.63 3f8h s ALA 75 N -0.42 -0.42 -0.00 0.00 0.00 -0.09 -1.52 121.76 119.33 3f8h s ALA 75 Ca -0.05 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.06 3f8h s ALA 75 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3f8h s ALA 75 CO 0.03 -0.18 -0.14 -2.00 0.00 0.00 0.00 175.76 173.47 3f8h s GLU 76 N -0.93 1.08 0.29 0.00 2.12 -0.18 -0.98 118.70 120.11 3f8h s GLU 76 Ca -0.10 -0.55 -0.19 0.00 0.36 0.00 0.00 54.97 54.50 3f8h s GLU 76 Cb -0.05 -1.06 0.06 0.00 0.26 0.00 0.00 34.13 33.34 3f8h s GLU 76 CO 0.01 0.29 0.90 1.52 -0.54 0.00 0.00 175.26 177.44 3f8h s TYR 77 N -0.43 0.09 -0.16 5.30 1.13 -0.51 0.05 117.35 122.83 3f8h s TYR 77 Ca 0.05 -0.64 -0.01 0.00 -1.41 0.00 0.00 57.07 55.05 3f8h s TYR 77 Cb -0.06 0.78 -0.01 0.00 -1.10 0.00 0.00 41.96 41.57 3f8h s TYR 77 CO -0.00 -1.28 -0.11 0.99 -2.51 0.00 0.00 175.55 172.65 3f8h s THR 78 N -2.27 3.13 -0.25 -3.49 2.01 0.06 -1.04 115.64 113.79 3f8h s THR 78 Ca 0.18 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.42 3f8h s THR 78 Cb -0.04 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3f8h s THR 78 CO 0.09 0.50 0.35 -0.69 -0.69 0.00 0.00 174.62 174.17 3f8h s VAL 79 N 0.70 5.21 -0.14 3.82 1.01 0.07 -1.01 120.40 130.05 3f8h s VAL 79 Ca -0.05 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 3f8h s VAL 79 Cb -0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 3f8h s VAL 79 CO 0.02 0.21 -0.12 0.20 0.00 0.00 0.00 175.10 175.41 3f8h s ASN 80 N 1.40 4.04 0.35 3.32 0.01 0.05 -1.02 114.94 123.09 3f8h s ASN 80 Ca 0.15 -0.33 -0.14 0.00 -0.71 0.00 0.00 52.86 51.83 3f8h s ASN 80 Cb -0.15 -1.62 0.04 0.00 0.41 0.00 0.00 41.25 39.92 3f8h s ASN 80 CO 0.09 0.15 0.70 -0.83 -1.51 0.00 0.00 177.10 175.69 3f8h s GLY 81 N 0.46 0.52 -0.05 0.66 0.00 0.06 -0.58 107.32 108.39 3f8h s GLY 81 Ca -0.09 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.82 3f8h s GLY 81 CO 0.04 -0.43 -0.13 -1.59 0.00 0.00 0.00 173.10 171.00 3f8h s THR 82 N -2.82 1.14 -0.75 0.90 2.01 -0.10 -0.53 115.64 115.48 3f8h s THR 82 Ca 0.18 -0.51 -0.22 0.00 0.31 0.00 0.00 61.69 61.46 3f8h s THR 82 Cb -0.04 -1.02 0.08 0.00 0.01 0.00 0.00 72.50 71.53 3f8h s THR 82 CO 0.12 0.35 1.05 -0.47 -0.69 0.00 0.00 174.62 174.98 3f8h s TYR 83 N 0.46 2.76 0.04 4.92 5.04 -0.03 -1.42 117.35 129.11 3f8h s TYR 83 Ca -0.11 -0.76 -0.12 0.00 -2.44 0.00 0.00 57.07 53.65 3f8h s TYR 83 Cb -0.14 -4.33 -0.33 0.00 0.35 0.00 0.00 41.96 37.50 3f8h s TYR 83 CO 0.03 -1.65 1.03 -0.07 -1.34 0.00 0.00 175.55 173.55 3f8h h LEU 84 N 11.29 0.71 -7.21 6.97 3.38 -0.85 -1.14 115.31 128.46 3f8h h LEU 84 Ca -0.14 -0.77 -0.09 0.00 0.09 0.00 0.00 57.88 56.96 3f8h h LEU 84 Cb 1.05 -0.23 -0.23 0.00 0.09 0.00 0.00 40.66 41.34 3f8h h LEU 84 CO 1.18 1.61 -0.12 0.00 0.09 0.00 0.00 178.44 181.20 3f8h s ALA 85 N -2.62 -1.26 0.19 1.53 0.00 -1.02 -4.73 121.76 113.86 3f8h s ALA 85 Ca -0.08 1.45 -0.33 0.00 0.00 0.00 0.00 51.96 53.01 3f8h s ALA 85 Cb 0.05 -0.85 -0.13 0.00 0.00 0.00 0.00 23.12 22.19 3f8h s ALA 85 CO 0.93 -0.24 1.60 2.41 0.00 0.00 0.00 175.76 180.45 3f8h n THR 86 N 2.87 0.19 -3.39 0.00 -1.04 -1.26 -4.46 114.28 107.18 3f8h n THR 86 Ca -0.14 -0.05 -0.40 0.00 -2.04 0.00 0.00 64.05 61.42 3f8h n THR 86 Cb 0.56 -1.69 -0.09 0.00 -1.82 0.00 0.00 70.33 67.29 3f8h n THR 86 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3f8h s ASP 87 N 0.88 6.20 -0.36 8.00 -1.08 -1.26 -4.97 116.67 124.08 3f8h s ASP 87 Ca 0.75 -0.07 -0.43 0.00 -0.52 0.00 0.00 52.55 52.28 3f8h s ASP 87 Cb -0.61 -2.20 -0.18 0.00 -1.46 0.00 0.00 42.92 38.47 3f8h s ASP 87 CO 0.38 -0.30 1.67 -1.84 0.52 0.00 0.00 175.17 175.60 3f8h n GLU 88 N 5.39 0.66 0.00 4.34 0.28 -1.26 -0.01 120.64 130.04 3f8h n GLU 88 Ca -0.09 0.24 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 3f8h n GLU 88 Cb 0.50 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.52 3f8h n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3f8h n GLY 89 N 4.04 0.98 3.92 -1.84 0.00 -1.26 -5.05 105.19 105.98 3f8h n GLY 89 Ca 0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 3f8h n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f8h s LEU 90 N 0.00 3.50 0.84 0.99 1.43 0.98 -5.10 118.68 121.32 3f8h s LEU 90 Ca 0.00 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 3f8h s LEU 90 Cb 0.00 -2.26 0.07 0.00 0.03 0.00 0.00 46.19 44.03 3f8h s LEU 90 CO 0.00 -0.65 0.99 -2.65 0.23 0.00 0.00 176.35 174.27 3f8h n PRO 91 N -1.62 0.01 -1.94 1.29 -0.02 -1.26 -4.71 135.00 126.74 3f8h n PRO 91 Ca 0.04 0.07 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 3f8h n PRO 91 Cb 0.61 -2.27 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3f8h n PRO 91 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3f8h s GLU 92 N -3.97 4.22 0.06 -0.52 -1.05 -1.26 -4.53 118.70 111.65 3f8h s GLU 92 Ca 0.69 2.41 -0.26 0.00 -0.15 0.00 0.00 54.97 57.66 3f8h s GLU 92 Cb -0.28 -3.02 -0.06 0.00 -0.44 0.00 0.00 34.13 30.34 3f8h s GLU 92 CO 0.55 -0.39 0.80 0.00 0.95 0.00 0.00 175.26 177.17 3f8h s ALA 93 N -0.98 3.36 -0.17 -0.84 0.00 -1.26 -4.95 121.76 116.92 3f8h s ALA 93 Ca 0.52 0.33 0.18 0.00 0.00 0.00 0.00 51.96 53.00 3f8h s ALA 93 Cb -0.44 -3.04 0.39 0.00 0.00 0.00 0.00 23.12 20.04 3f8h s ALA 93 CO 0.57 0.07 1.20 2.89 0.00 0.00 0.00 175.76 180.49 3f8h n ARG 94 N 2.71 0.93 -2.50 0.00 1.85 -1.25 -4.81 116.66 113.59 3f8h n ARG 94 Ca -0.02 -2.24 -0.13 0.00 -1.00 0.00 0.00 57.85 54.46 3f8h n ARG 94 Cb 0.50 -0.43 0.01 0.00 -1.05 0.00 0.00 32.46 31.49 3f8h n ARG 94 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3f8h n GLN 95 N -0.42 -2.09 -1.83 2.89 1.13 -0.43 -4.96 117.38 111.66 3f8h n GLN 95 Ca -0.04 0.59 -0.39 0.00 -1.94 0.00 0.00 57.00 55.22 3f8h n GLN 95 Cb 0.89 -4.77 0.02 0.00 0.11 0.00 0.00 30.24 26.49 3f8h n GLN 95 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3f8h s GLN 96 N -4.96 3.60 -0.07 -1.09 1.11 -1.25 -4.59 119.66 112.41 3f8h s GLN 96 Ca 0.10 2.34 -0.16 0.00 0.01 0.00 0.00 55.36 57.65 3f8h s GLN 96 Cb -0.04 -2.58 -0.05 0.00 -1.01 0.00 0.00 33.01 29.33 3f8h s GLN 96 CO 0.12 -0.85 0.41 0.45 0.01 0.00 0.00 175.29 175.43 3f8h s SER 97 N -0.64 6.69 0.07 5.90 0.15 -1.26 -0.85 113.70 123.76 3f8h s SER 97 Ca 0.63 0.82 0.00 0.00 0.70 0.00 0.00 55.95 58.10 3f8h s SER 97 Cb -0.42 -2.25 -0.04 0.00 -1.71 0.00 0.00 66.02 61.60 3f8h s SER 97 CO 0.53 0.16 -0.05 -0.72 1.20 0.00 0.00 173.24 174.36 3f8h s TYR 98 N -0.15 0.69 -0.16 3.44 1.13 0.31 -4.91 117.35 117.71 3f8h s TYR 98 Ca 0.23 -0.96 -0.06 0.00 -1.41 0.00 0.00 57.07 54.87 3f8h s TYR 98 Cb -0.15 -0.44 0.07 0.00 -1.10 0.00 0.00 41.96 40.33 3f8h s TYR 98 CO 0.10 -0.25 0.34 0.21 -2.51 0.00 0.00 175.55 173.44 3f8h s LYS 99 N -3.72 0.26 -0.07 -3.49 2.20 -1.26 -0.76 119.74 112.90 3f8h s LYS 99 Ca 0.08 0.83 -0.05 0.00 -0.36 0.00 0.00 55.97 56.46 3f8h s LYS 99 Cb 0.06 0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.48 3f8h s LYS 99 CO -0.07 -0.24 0.17 -1.17 -0.36 0.00 0.00 175.35 173.69 3f8h s LEU 100 N 2.16 1.21 0.44 5.43 2.96 -0.19 -4.99 118.68 125.69 3f8h s LEU 100 Ca -0.03 0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 54.00 3f8h s LEU 100 Cb -0.11 0.57 -0.09 0.00 0.50 0.00 0.00 46.19 47.06 3f8h s LEU 100 CO -0.11 -0.08 1.06 -2.16 -1.32 0.00 0.00 176.35 173.74 3f8h s PRO 101 N 0.30 3.99 0.17 0.98 0.04 -1.26 -0.75 135.00 138.46 3f8h s PRO 101 Ca -0.02 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 3f8h s PRO 101 Cb -0.03 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3f8h s PRO 101 CO -0.01 -0.29 0.34 0.00 0.04 0.00 0.00 177.00 177.08 3f8h s ALA 102 N -1.76 -0.23 0.05 8.56 0.00 -0.21 -4.47 121.76 123.70 3f8h s ALA 102 Ca 0.62 -0.71 -0.18 0.00 0.00 0.00 0.00 51.96 51.69 3f8h s ALA 102 Cb -0.21 0.84 0.04 0.00 0.00 0.00 0.00 23.12 23.79 3f8h s ALA 102 CO 0.26 -0.68 0.41 0.20 0.00 0.00 0.00 175.76 175.94 3f8h s GLY 103 N -2.94 -0.27 0.01 0.00 0.00 -0.26 -1.43 107.32 102.43 3f8h s GLY 103 Ca 0.15 0.28 0.01 0.00 0.00 0.00 0.00 44.72 45.15 3f8h s GLY 103 CO -0.01 0.03 -0.02 -0.56 0.00 0.00 0.00 173.10 172.53 3f8h s SER 104 N -2.04 0.26 0.05 1.64 0.01 -0.16 0.17 113.70 113.63 3f8h s SER 104 Ca -0.05 -0.14 0.08 0.00 1.31 0.00 0.00 55.95 57.15 3f8h s SER 104 Cb -0.01 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 3f8h s SER 104 CO -0.03 -0.05 -0.22 -0.36 0.41 0.00 0.00 173.24 173.00 3f8h s PHE 105 N -0.36 1.93 0.02 2.43 0.08 -0.11 -0.91 117.98 121.06 3f8h s PHE 105 Ca -0.03 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.64 3f8h s PHE 105 Cb -0.03 -1.15 -0.02 0.00 -0.57 0.00 0.00 43.02 41.25 3f8h s PHE 105 CO -0.00 0.11 -0.03 -0.06 -0.10 0.00 0.00 175.22 175.13 3f8h s PHE 106 N -0.81 0.31 -0.04 0.36 0.40 -0.15 -0.78 117.98 117.26 3f8h s PHE 106 Ca 0.08 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 3f8h s PHE 106 Cb -0.09 -0.22 -0.03 0.00 0.51 0.00 0.00 43.02 43.18 3f8h s PHE 106 CO 0.02 -0.20 -0.02 -0.51 0.70 0.00 0.00 175.22 175.21 3f8h s ASP 107 N -1.61 5.00 0.08 1.36 1.01 -0.53 -1.66 116.67 120.32 3f8h s ASP 107 Ca -0.13 0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.18 3f8h s ASP 107 Cb -0.08 -1.31 -0.03 0.00 1.01 0.00 0.00 42.92 42.51 3f8h s ASP 107 CO -0.02 0.32 -0.12 -0.76 0.21 0.00 0.00 175.17 174.80 3f8h s LEU 108 N -1.21 2.31 -0.08 1.23 1.02 0.05 -0.07 118.68 121.94 3f8h s LEU 108 Ca 0.16 -0.67 -0.01 0.00 0.02 0.00 0.00 54.13 53.63 3f8h s LEU 108 Cb -0.11 -0.42 0.03 0.00 0.02 0.00 0.00 46.19 45.71 3f8h s LEU 108 CO 0.06 -0.14 -0.00 -0.60 0.02 0.00 0.00 176.35 175.68 3f8h s ARG 109 N -2.03 0.67 -1.58 1.70 3.52 0.41 -4.54 118.95 117.11 3f8h s ARG 109 Ca -0.01 0.05 -0.13 0.00 -0.13 0.00 0.00 55.73 55.51 3f8h s ARG 109 Cb -0.08 -1.08 0.10 0.00 -1.56 0.00 0.00 34.95 32.33 3f8h s ARG 109 CO 0.02 -0.32 0.83 -0.25 -0.81 0.00 0.00 175.30 174.76 3f8h n ASP 110 N 5.13 -3.49 0.00 -2.12 8.00 -1.26 -1.53 116.55 121.29 3f8h n ASP 110 Ca -0.08 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3f8h n ASP 110 Cb 0.50 -3.34 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 3f8h n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3f8h n GLY 111 N -1.60 1.69 3.72 0.44 0.00 -1.26 -5.02 105.19 103.15 3f8h n GLY 111 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3f8h n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f8h s LEU 112 N 0.00 3.73 -0.06 0.99 1.43 -0.58 -4.79 118.68 119.40 3f8h s LEU 112 Ca 0.00 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.99 3f8h s LEU 112 Cb 0.00 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3f8h s LEU 112 CO 0.00 0.38 1.25 -0.63 0.23 0.00 0.00 176.35 177.57 3f8h s ILE 113 N -0.93 4.15 -0.38 -0.59 1.01 0.70 -0.44 121.20 124.72 3f8h s ILE 113 Ca 0.14 1.48 0.14 0.00 0.00 0.00 0.00 60.65 62.41 3f8h s ILE 113 Cb -0.11 -3.95 -0.18 0.00 0.01 0.00 0.00 42.46 38.23 3f8h s ILE 113 CO 0.03 -0.02 0.46 0.35 0.00 0.00 0.00 174.94 175.77 3f8h n THR 114 N 4.71 0.00 -3.67 2.92 -2.24 0.91 -1.09 114.28 115.81 3f8h n THR 114 Ca 0.12 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.56 3f8h n THR 114 Cb 0.46 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.26 3f8h n THR 114 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3f8h s ARG 115 N -2.56 0.58 -0.09 -0.78 3.52 -1.12 -1.18 118.95 117.32 3f8h s ARG 115 Ca 0.01 0.94 0.01 0.00 -0.13 0.00 0.00 55.73 56.55 3f8h s ARG 115 Cb 0.10 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 3f8h s ARG 115 CO 0.56 -0.13 -0.09 0.54 -0.81 0.00 0.00 175.30 175.37 3f8h s VAL 116 N 1.16 1.03 -0.20 7.11 0.11 -0.52 -1.45 120.40 127.63 3f8h s VAL 116 Ca -0.07 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 3f8h s VAL 116 Cb -0.06 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.82 3f8h s VAL 116 CO -0.11 0.35 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.98 3f8h s THR 117 N 1.24 1.88 -0.15 5.04 2.01 0.04 -0.80 115.64 124.90 3f8h s THR 117 Ca -0.04 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 60.82 3f8h s THR 117 Cb -0.14 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 3f8h s THR 117 CO -0.03 0.26 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.23 3f8h s THR 118 N 1.30 3.92 0.02 -0.82 2.01 -1.24 -0.93 115.64 119.89 3f8h s THR 118 Ca -0.01 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 61.71 3f8h s THR 118 Cb -0.16 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 3f8h s THR 118 CO -0.09 0.49 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.83 3f8h s TYR 119 N 0.34 2.52 0.00 4.92 2.02 0.13 -3.87 117.35 123.40 3f8h s TYR 119 Ca -0.04 -0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 3f8h s TYR 119 Cb -0.14 -1.48 0.10 0.00 -0.40 0.00 0.00 41.96 40.04 3f8h s TYR 119 CO 0.03 0.19 0.95 1.52 -1.57 0.00 0.00 175.55 176.67 3f8h s TYR 120 N -0.84 -0.27 -0.67 2.71 -0.85 -1.26 -1.10 117.35 115.06 3f8h s TYR 120 Ca 0.13 0.12 -0.21 0.00 -0.52 0.00 0.00 57.07 56.59 3f8h s TYR 120 Cb -0.10 0.55 0.09 0.00 0.38 0.00 0.00 41.96 42.88 3f8h s TYR 120 CO 0.03 -0.55 0.90 1.21 -1.52 0.00 0.00 175.55 175.63 3f8h s ASN 121 N -2.55 6.22 0.23 -0.18 3.84 -1.26 -4.92 114.94 116.31 3f8h s ASN 121 Ca 0.07 -1.23 -0.08 0.00 0.21 0.00 0.00 52.86 51.82 3f8h s ASN 121 Cb -0.01 -2.38 0.20 0.00 -0.55 0.00 0.00 41.25 38.51 3f8h s ASN 121 CO -0.06 -1.31 1.89 0.25 -2.79 0.00 0.00 177.10 175.08 3f8h h LEU 122 N 10.84 1.00 -1.16 3.21 5.85 -1.98 -1.68 115.31 131.38 3f8h h LEU 122 Ca -0.24 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3f8h h LEU 122 Cb 1.07 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3f8h h LEU 122 CO 1.15 0.73 0.21 0.77 -0.34 0.00 0.00 178.44 180.96 3f8h h SER 123 N 1.17 0.73 -0.48 1.25 4.64 -1.99 0.18 113.55 119.05 3f8h h SER 123 Ca 0.31 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 3f8h h SER 123 Cb -0.11 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.77 3f8h h SER 123 CO -0.07 0.66 0.25 0.44 -0.87 0.00 0.00 176.83 177.25 3f8h h ASP 124 N 0.79 0.62 -0.24 4.97 3.32 -1.75 -0.94 116.42 123.18 3f8h h ASP 124 Ca 0.19 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3f8h h ASP 124 Cb 0.17 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3f8h h ASP 124 CO -0.02 0.55 0.11 -0.25 -1.72 0.00 0.00 179.24 177.92 3f8h h TRP 125 N 0.64 0.36 -0.88 4.55 7.01 -0.71 -2.01 115.95 124.90 3f8h h TRP 125 Ca 0.17 -0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.26 3f8h h TRP 125 Cb 0.09 -0.11 -0.07 0.00 -2.10 0.00 0.00 29.16 26.97 3f8h h TRP 125 CO -0.01 0.35 0.57 0.82 -2.79 0.00 0.00 178.44 177.37 3f8h h ILE 126 N 0.26 0.91 -0.16 2.65 2.04 -0.76 0.17 117.51 122.61 3f8h h ILE 126 Ca 0.08 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 3f8h h ILE 126 Cb 0.13 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3f8h h ILE 126 CO -0.01 0.14 -0.23 0.11 0.00 0.00 0.00 178.15 178.17 3f8h h LYS 127 N 0.79 0.29 -0.00 2.37 1.57 -0.47 -1.61 116.57 119.51 3f8h h LYS 127 Ca 0.42 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.93 3f8h h LYS 127 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3f8h h LYS 127 CO -0.18 0.51 -0.80 1.96 -0.57 0.00 0.00 179.45 180.36 3f8h h GLN 128 N 0.26 0.10 -0.01 3.15 4.20 -0.15 -3.29 115.11 119.37 3f8h h GLN 128 Ca 0.04 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3f8h h GLN 128 Cb 0.55 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.36 3f8h h GLN 128 CO 0.04 0.84 -0.66 1.33 -0.67 0.00 0.00 178.83 179.71 3f8h n VAL 129 N -3.66 0.00 -3.08 -0.54 0.24 -0.81 -4.93 118.33 105.55 3f8h n VAL 129 Ca -0.02 -0.13 -0.37 0.00 -2.04 0.00 0.00 64.34 61.78 3f8h n VAL 129 Cb 0.76 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 34.10 3f8h n VAL 129 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3f8h s SER 130 N -2.71 7.10 0.00 -1.34 0.01 -0.62 -4.86 113.70 111.28 3f8h s SER 130 Ca 0.14 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.85 3f8h s SER 130 Cb 0.17 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.97 3f8h s SER 130 CO 0.69 0.05 0.00 0.00 0.41 0.00 0.00 173.24 174.40