#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2inp s VAL 3 N 0.00 3.62 0.04 -3.33 1.01 -1.26 -5.03 120.40 115.46 2inp s VAL 3 Ca 0.00 1.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 2inp s VAL 3 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2inp s VAL 3 CO 0.00 0.12 0.81 0.20 0.00 0.00 0.00 175.10 176.23 2inp s ASN 4 N 0.81 7.25 0.24 3.32 0.01 -1.26 -4.97 114.94 120.34 2inp s ASN 4 Ca 0.59 1.50 -0.15 0.00 -0.71 0.00 0.00 52.86 54.09 2inp s ASN 4 Cb -0.33 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 38.84 2inp s ASN 4 CO 0.32 -0.03 0.53 0.00 -1.51 0.00 0.00 177.10 176.41 2inp s ALA 5 N 0.11 -0.58 -2.23 0.60 0.00 -1.26 -5.05 121.76 113.35 2inp s ALA 5 Ca 0.41 -0.62 0.21 0.00 0.00 0.00 0.00 51.96 51.95 2inp s ALA 5 Cb -0.21 0.97 0.53 0.00 0.00 0.00 0.00 23.12 24.41 2inp s ALA 5 CO 0.24 -0.87 1.45 -0.11 0.00 0.00 0.00 175.76 176.47 2inp n LEU 6 N -0.38 3.14 -3.85 0.00 7.94 -1.26 -4.92 117.00 117.67 2inp n LEU 6 Ca -0.04 -1.46 -0.10 0.00 -1.11 0.00 0.00 56.01 53.30 2inp n LEU 6 Cb 0.61 -0.31 0.02 0.00 0.53 0.00 0.00 43.42 44.27 2inp n LEU 6 CO 0.20 0.73 0.47 -0.72 -1.11 0.00 0.00 177.39 176.96 2inp s TYR 7 N -1.39 0.32 -0.53 1.96 1.13 -1.26 -5.09 117.35 112.48 2inp s TYR 7 Ca 0.39 -0.93 -0.28 0.00 -1.41 0.00 0.00 57.07 54.83 2inp s TYR 7 Cb 0.21 0.69 0.03 0.00 -1.10 0.00 0.00 41.96 41.79 2inp s TYR 7 CO 0.29 -1.53 1.24 0.34 -2.51 0.00 0.00 175.55 173.38 2inp s ASP 8 N -3.11 6.43 -0.74 -0.18 2.15 -1.26 -4.92 116.67 115.04 2inp s ASP 8 Ca 0.18 0.32 -0.20 0.00 0.43 0.00 0.00 52.55 53.27 2inp s ASP 8 Cb -0.04 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 40.13 2inp s ASP 8 CO 0.14 -1.45 0.97 -0.47 -0.17 0.00 0.00 175.17 174.18 2inp s TYR 9 N 5.05 2.89 -0.16 -5.34 5.04 -1.26 -4.94 117.35 118.63 2inp s TYR 9 Ca 0.48 -0.92 -0.06 0.00 -2.44 0.00 0.00 57.07 54.13 2inp s TYR 9 Cb -0.09 -4.23 0.08 0.00 0.35 0.00 0.00 41.96 38.07 2inp s TYR 9 CO 0.28 -1.52 0.34 0.15 -1.34 0.00 0.00 175.55 173.46 2inp s LYS 10 N 3.30 0.24 0.08 4.97 1.02 -1.26 -5.00 119.74 123.09 2inp s LYS 10 Ca 0.23 0.88 0.02 0.00 0.02 0.00 0.00 55.97 57.13 2inp s LYS 10 Cb -0.14 0.14 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 2inp s LYS 10 CO 0.03 -0.26 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.07 2inp s PHE 11 N 2.43 0.84 0.43 3.18 0.08 -1.26 -5.13 117.98 118.54 2inp s PHE 11 Ca -0.01 -0.76 -0.23 0.00 0.12 0.00 0.00 56.93 56.05 2inp s PHE 11 Cb -0.12 -0.49 -0.09 0.00 -0.57 0.00 0.00 43.02 41.76 2inp s PHE 11 CO -0.11 -0.12 1.04 -1.21 -0.10 0.00 0.00 175.22 174.72 2inp s GLU 12 N -3.01 4.07 0.25 0.44 0.41 -1.26 -4.98 118.70 114.62 2inp s GLU 12 Ca 0.04 1.43 -0.30 0.00 -0.41 0.00 0.00 54.97 55.73 2inp s GLU 12 Cb -0.00 -2.39 -0.10 0.00 -1.78 0.00 0.00 34.13 29.85 2inp s GLU 12 CO -0.03 -0.21 1.51 -1.25 -0.49 0.00 0.00 175.26 174.79 2inp s PRO 13 N -2.76 4.21 0.39 0.39 0.04 -1.26 -4.89 135.00 131.13 2inp s PRO 13 Ca 0.61 2.40 0.08 0.00 0.04 0.00 0.00 61.00 64.12 2inp s PRO 13 Cb -0.19 -3.09 0.80 0.00 0.04 0.00 0.00 34.50 32.06 2inp s PRO 13 CO 0.24 -0.51 1.98 0.87 0.04 0.00 0.00 177.00 179.62 2inp h LYS 14 N 5.25 0.41 -0.76 4.56 1.57 -2.07 -3.21 116.57 122.32 2inp h LYS 14 Ca -0.46 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 57.95 2inp h LYS 14 Cb 1.22 -0.08 -0.19 0.00 0.08 0.00 0.00 32.23 33.26 2inp h LYS 14 CO 0.80 0.39 0.36 -0.25 -0.57 0.00 0.00 179.45 180.18 2inp n ASP 15 N -4.37 4.07 -4.58 0.86 8.00 -1.26 -4.88 116.55 114.39 2inp n ASP 15 Ca 0.01 -3.43 -0.41 0.00 0.71 0.00 0.00 54.79 51.67 2inp n ASP 15 Cb 0.17 -0.76 0.02 0.00 -0.02 0.00 0.00 41.12 40.53 2inp n ASP 15 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2inp n LYS 16 N -0.68 1.11 -0.14 -1.24 2.85 -1.21 -4.85 118.16 113.99 2inp n LYS 16 Ca 0.46 0.40 0.27 0.00 -1.05 0.00 0.00 58.31 58.40 2inp n LYS 16 Cb 1.43 -1.95 0.72 0.00 -0.65 0.00 0.00 35.03 34.58 2inp n LYS 16 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 2inp h VAL 17 N 1.20 0.55 0.00 0.58 3.04 -1.95 -1.45 116.25 118.23 2inp h VAL 17 Ca -0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2inp h VAL 17 Cb 1.35 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2inp h VAL 17 CO 0.55 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.78 2inp h GLU 18 N 0.00 0.00 -0.18 4.17 3.07 -1.93 -1.28 114.58 118.43 2inp h GLU 18 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2inp h GLU 18 Cb 1.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.52 2inp h GLU 18 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 2inp n ASN 19 N -2.72 1.19 -0.70 1.42 3.02 -0.54 -4.23 115.26 112.69 2inp n ASN 19 Ca -0.01 -1.83 0.07 0.00 -0.03 0.00 0.00 54.58 52.77 2inp n ASN 19 Cb 0.12 -0.12 0.19 0.00 -0.61 0.00 0.00 39.78 39.36 2inp n ASN 19 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2inp n PHE 20 N 0.09 0.62 -3.48 3.10 3.72 -0.48 -5.00 117.46 116.03 2inp n PHE 20 Ca 0.11 -0.66 -0.18 0.00 -0.05 0.00 0.00 57.45 56.68 2inp n PHE 20 Cb 0.22 -0.14 0.08 0.00 -0.94 0.00 0.00 39.48 38.69 2inp n PHE 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2inp n HIS 21 N 0.03 -2.14 -0.92 1.38 8.25 -1.26 -1.80 115.22 118.76 2inp n HIS 21 Ca 0.15 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.53 2inp n HIS 21 Cb 0.61 -4.94 0.00 0.00 1.12 0.00 0.00 29.99 26.78 2inp n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2inp n GLY 22 N -1.22 0.10 4.01 -1.41 0.00 -1.26 -5.00 105.19 100.42 2inp n GLY 22 Ca -0.29 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 2inp n GLY 22 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2inp s MET 23 N -1.49 2.43 0.01 1.61 1.00 -0.75 -4.38 119.30 117.74 2inp s MET 23 Ca 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 55.69 54.39 2inp s MET 23 Cb 0.00 -2.62 -0.01 0.00 0.00 0.00 0.00 34.83 32.20 2inp s MET 23 CO 0.00 -0.72 -0.01 1.14 0.00 0.00 0.00 175.02 175.43 2inp s GLN 24 N -4.64 0.21 0.19 2.03 -2.07 -0.11 -4.68 119.66 110.59 2inp s GLN 24 Ca 0.59 -0.37 -0.30 0.00 -1.82 0.00 0.00 55.36 53.46 2inp s GLN 24 Cb -0.08 0.08 -0.08 0.00 -1.09 0.00 0.00 33.01 31.83 2inp s GLN 24 CO 0.38 -0.03 1.21 -0.51 -1.32 0.00 0.00 175.29 175.01 2inp s LEU 25 N -0.92 4.45 -0.05 2.60 1.43 -1.26 -0.90 118.68 124.04 2inp s LEU 25 Ca -0.10 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.29 2inp s LEU 25 Cb -0.06 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.56 2inp s LEU 25 CO -0.01 -0.39 -0.09 -0.22 0.23 0.00 0.00 176.35 175.88 2inp s LEU 26 N -0.31 1.60 0.01 1.79 2.96 0.45 0.39 118.68 125.58 2inp s LEU 26 Ca 0.53 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 54.20 2inp s LEU 26 Cb -0.33 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.69 2inp s LEU 26 CO 0.37 0.02 0.22 -0.31 -1.32 0.00 0.00 176.35 175.33 2inp s TYR 27 N 0.57 3.55 -0.06 5.38 1.51 -0.51 -0.52 117.35 127.27 2inp s TYR 27 Ca -0.10 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.37 2inp s TYR 27 Cb -0.13 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2inp s TYR 27 CO 0.02 0.62 -0.05 0.08 -1.11 0.00 0.00 175.55 175.10 2inp s VAL 28 N -1.37 0.68 -0.24 0.71 1.01 -0.85 -1.16 120.40 119.18 2inp s VAL 28 Ca 0.29 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 2inp s VAL 28 Cb -0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 2inp s VAL 28 CO 0.20 0.28 0.05 -0.47 0.00 0.00 0.00 175.10 175.15 2inp s TYR 29 N 1.20 3.07 -0.52 5.22 6.04 0.43 -1.68 117.35 131.12 2inp s TYR 29 Ca -0.06 -0.45 -0.09 0.00 0.04 0.00 0.00 57.07 56.51 2inp s TYR 29 Cb -0.14 -2.20 0.13 0.00 -1.04 0.00 0.00 41.96 38.72 2inp s TYR 29 CO -0.02 -0.33 0.39 -0.46 -1.54 0.00 0.00 175.55 173.59 2inp s TRP 30 N 1.46 3.46 0.79 4.97 -0.00 -1.26 -0.44 118.94 127.91 2inp s TRP 30 Ca 0.05 -2.00 -0.14 0.00 -0.00 0.00 0.00 56.10 54.01 2inp s TRP 30 Cb -0.15 -3.49 0.06 0.00 -0.00 0.00 0.00 33.47 29.89 2inp s TRP 30 CO 0.03 -0.98 1.13 -2.30 -0.00 0.00 0.00 176.95 174.83 2inp n PRO 31 N 4.64 0.26 -2.58 5.86 -0.02 -1.24 -3.40 135.00 138.52 2inp n PRO 31 Ca -0.04 0.16 -0.20 0.00 -2.02 0.00 0.00 63.50 61.40 2inp n PRO 31 Cb 0.41 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.52 2inp n PRO 31 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2inp n ASP 32 N -2.82 -5.77 -2.71 2.55 8.00 -1.26 -4.85 116.55 109.68 2inp n ASP 32 Ca 0.13 -0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.44 2inp n ASP 32 Cb 0.50 -4.72 0.05 0.00 -0.02 0.00 0.00 41.12 36.93 2inp n ASP 32 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2inp n HIS 33 N -4.17 -0.07 0.17 1.24 8.25 -0.71 -2.65 115.22 117.28 2inp n HIS 33 Ca -0.19 -2.60 0.02 0.00 -0.26 0.00 0.00 57.72 54.68 2inp n HIS 33 Cb 0.66 0.24 0.08 0.00 1.12 0.00 0.00 29.99 32.09 2inp n HIS 33 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2inp n LEU 34 N -0.17 0.00 -0.33 2.41 4.77 -0.52 -2.29 117.00 120.87 2inp n LEU 34 Ca 0.07 0.19 0.15 0.00 -0.03 0.00 0.00 56.01 56.39 2inp n LEU 34 Cb 0.81 -0.19 0.30 0.00 -2.33 0.00 0.00 43.42 42.02 2inp n LEU 34 CO 0.16 -0.17 0.83 0.25 -1.33 0.00 0.00 177.39 177.13 2inp h LEU 35 N 0.00 -0.39 -8.85 2.23 5.85 -1.25 -3.20 115.31 109.70 2inp h LEU 35 Ca 0.00 0.27 -0.61 0.00 0.84 0.00 0.00 57.88 58.38 2inp h LEU 35 Cb 0.02 0.45 -0.11 0.00 0.37 0.00 0.00 40.66 41.39 2inp h LEU 35 CO 0.00 -0.34 0.34 -0.36 -0.34 0.00 0.00 178.44 177.74 2inp s PHE 36 N -5.98 3.16 0.32 1.25 0.40 -0.97 -4.96 117.98 111.20 2inp s PHE 36 Ca -0.13 0.63 0.23 0.00 -0.60 0.00 0.00 56.93 57.06 2inp s PHE 36 Cb 0.29 -3.27 1.10 0.00 0.51 0.00 0.00 43.02 41.65 2inp s PHE 36 CO 0.78 -0.64 1.93 0.00 0.70 0.00 0.00 175.22 177.99 2inp s ALA 38 N -4.02 0.07 0.31 0.00 0.00 -1.26 -5.02 121.76 111.84 2inp s ALA 38 Ca -0.02 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.83 2inp s ALA 38 Cb 0.13 0.38 -0.13 0.00 0.00 0.00 0.00 23.12 23.49 2inp s ALA 38 CO 0.64 -0.44 1.14 -2.30 0.00 0.00 0.00 175.76 174.80 2inp n PRO 39 N 0.09 1.68 -1.81 0.00 -0.02 -1.26 -4.92 135.00 128.77 2inp n PRO 39 Ca -0.15 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 2inp n PRO 39 Cb 0.61 -2.06 0.01 0.00 -0.02 0.00 0.00 33.50 32.05 2inp n PRO 39 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2inp s PHE 40 N -1.03 2.53 -0.32 6.00 2.99 -0.68 -4.81 117.98 122.65 2inp s PHE 40 Ca 0.58 1.22 -0.07 0.00 0.00 0.00 0.00 56.93 58.66 2inp s PHE 40 Cb -0.65 -3.96 0.02 0.00 0.00 0.00 0.00 43.02 38.43 2inp s PHE 40 CO 0.61 -2.94 0.11 0.00 -0.00 0.00 0.00 175.22 172.99 2inp s ALA 41 N -1.17 3.09 -0.03 5.36 0.00 -1.26 -2.01 121.76 125.75 2inp s ALA 41 Ca 0.57 -1.59 0.06 0.00 0.00 0.00 0.00 51.96 51.00 2inp s ALA 41 Cb -0.45 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.39 2inp s ALA 41 CO 0.59 -1.13 -0.19 -0.51 0.00 0.00 0.00 175.76 174.52 2inp s LEU 42 N 1.48 2.45 -0.31 0.00 1.43 0.33 -4.99 118.68 119.07 2inp s LEU 42 Ca 0.01 -0.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2inp s LEU 42 Cb -0.18 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.58 2inp s LEU 42 CO 0.03 0.33 0.12 -0.22 0.23 0.00 0.00 176.35 176.84 2inp s LEU 43 N -0.75 4.01 0.19 1.79 2.96 -1.26 -0.41 118.68 125.20 2inp s LEU 43 Ca 0.11 -0.66 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 2inp s LEU 43 Cb -0.10 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2inp s LEU 43 CO 0.00 -0.21 -0.17 0.68 -1.32 0.00 0.00 176.35 175.34 2inp s VAL 44 N 1.55 1.85 -0.03 1.68 -7.23 -0.08 -4.92 120.40 113.22 2inp s VAL 44 Ca 0.03 -2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 2inp s VAL 44 Cb -0.17 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2inp s VAL 44 CO 0.04 -0.41 1.08 -1.10 -0.31 0.00 0.00 175.10 174.40 2inp s GLN 45 N -3.11 4.45 0.28 4.82 -0.21 -1.26 -0.93 119.66 123.69 2inp s GLN 45 Ca 0.19 1.53 0.02 0.00 0.02 0.00 0.00 55.36 57.13 2inp s GLN 45 Cb -0.04 -3.49 0.65 0.00 1.00 0.00 0.00 33.01 31.13 2inp s GLN 45 CO 0.07 -0.26 1.74 -1.35 -2.12 0.00 0.00 175.29 173.38 2inp h PRO 46 N 7.04 0.57 -0.07 2.91 0.11 -1.91 -2.91 132.00 137.74 2inp h PRO 46 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2inp h PRO 46 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2inp h PRO 46 CO 0.82 0.38 0.00 0.41 -0.21 0.00 0.00 178.00 179.40 2inp n GLY 47 N -1.33 -0.30 3.85 -0.55 0.00 -1.26 -2.21 105.19 103.40 2inp n GLY 47 Ca 0.20 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2inp n GLY 47 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2inp s MET 48 N -1.91 3.47 0.62 1.61 0.23 -1.10 -4.73 119.30 117.50 2inp s MET 48 Ca 0.33 0.83 -0.11 0.00 -1.03 0.00 0.00 55.69 55.72 2inp s MET 48 Cb 0.17 -2.06 -0.04 0.00 -1.53 0.00 0.00 34.83 31.37 2inp s MET 48 CO 0.27 -0.67 1.03 0.95 -2.03 0.00 0.00 175.02 174.57 2inp s THR 49 N -3.07 4.67 0.46 3.16 -4.23 -1.26 -0.96 115.64 114.41 2inp s THR 49 Ca 0.56 0.88 0.17 0.00 -1.18 0.00 0.00 61.69 62.13 2inp s THR 49 Cb -0.12 -3.84 0.35 0.00 1.34 0.00 0.00 72.50 70.23 2inp s THR 49 CO 0.51 -1.12 1.97 0.15 -0.54 0.00 0.00 174.62 175.60 2inp h PHE 50 N -0.29 0.33 -0.28 3.99 3.04 -1.43 -2.43 116.94 119.87 2inp h PHE 50 Ca -0.44 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.34 2inp h PHE 50 Cb 1.19 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.59 2inp h PHE 50 CO 0.66 0.15 -0.54 1.03 -2.02 0.00 0.00 178.31 177.58 2inp h SER 51 N 0.30 0.93 -0.82 0.41 0.87 -1.46 -1.61 113.55 112.17 2inp h SER 51 Ca 0.29 -0.50 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 2inp h SER 51 Cb 0.72 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 2inp h SER 51 CO -0.07 1.29 0.43 0.00 -0.53 0.00 0.00 176.83 177.94 2inp h ALA 52 N 0.73 1.06 0.01 6.23 0.00 -1.74 -1.81 119.26 123.75 2inp h ALA 52 Ca 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2inp h ALA 52 Cb 1.14 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2inp h ALA 52 CO 0.12 0.59 -0.33 1.25 0.00 0.00 0.00 179.25 180.89 2inp h LEU 53 N 1.16 -0.97 -0.19 0.00 5.85 -1.20 0.51 115.31 120.47 2inp h LEU 53 Ca 0.29 0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.14 2inp h LEU 53 Cb 0.07 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2inp h LEU 53 CO -0.04 -0.39 0.11 0.58 -0.34 0.00 0.00 178.44 178.36 2inp h VAL 54 N -0.49 1.03 0.07 1.05 2.07 -1.19 -0.66 116.25 118.13 2inp h VAL 54 Ca 0.06 -0.08 -0.26 0.00 0.82 0.00 0.00 66.70 67.24 2inp h VAL 54 Cb 0.57 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2inp h VAL 54 CO -0.26 0.04 -1.25 0.44 0.02 0.00 0.00 177.57 176.56 2inp h ASP 55 N 0.23 0.22 0.31 0.57 3.32 -1.13 -1.14 116.42 118.80 2inp h ASP 55 Ca 0.07 -0.26 -0.31 0.00 0.02 0.00 0.00 57.03 56.55 2inp h ASP 55 Cb -0.01 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 2inp h ASP 55 CO -0.03 1.21 -1.96 -0.62 -1.72 0.00 0.00 179.24 176.12 2inp n GLU 56 N -3.40 0.65 -0.01 3.56 1.02 0.18 -4.58 120.64 118.05 2inp n GLU 56 Ca -0.08 0.17 -0.03 0.00 -0.02 0.00 0.00 57.16 57.21 2inp n GLU 56 Cb 1.00 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 30.72 2inp n GLU 56 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2inp n ILE 57 N -2.92 1.01 -0.14 -3.67 2.08 -0.66 -4.63 119.36 110.43 2inp n ILE 57 Ca -0.23 0.27 -0.11 0.00 0.56 0.00 0.00 62.75 63.25 2inp n ILE 57 Cb 1.08 -1.75 -0.01 0.00 -0.75 0.00 0.00 39.64 38.20 2inp n ILE 57 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2inp h LEU 58 N -0.33 0.75 0.36 1.39 5.85 -1.16 -0.58 115.31 121.59 2inp h LEU 58 Ca 0.00 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2inp h LEU 58 Cb 0.33 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2inp h LEU 58 CO 0.00 0.92 -0.17 0.50 -0.34 0.00 0.00 178.44 179.35 2inp h LYS 59 N 0.57 -0.46 -0.52 1.25 1.63 -1.44 -1.62 116.57 115.98 2inp h LYS 59 Ca 0.11 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2inp h LYS 59 Cb 0.57 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 2inp h LYS 59 CO 0.03 -0.30 0.17 -1.35 -3.45 0.00 0.00 179.45 174.55 2inp h PRO 60 N -0.49 0.77 0.00 1.90 0.11 -1.78 -2.27 132.00 130.24 2inp h PRO 60 Ca -0.05 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 2inp h PRO 60 Cb 0.38 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 2inp h PRO 60 CO 0.08 0.66 -0.04 0.00 -0.21 0.00 0.00 178.00 178.50 2inp h ALA 61 N 1.44 1.72 -0.02 -0.75 0.00 -0.67 -2.81 119.26 118.17 2inp h ALA 61 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2inp h ALA 61 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2inp h ALA 61 CO -0.01 0.04 -0.03 0.25 0.00 0.00 0.00 179.25 179.51 2inp n THR 62 N -4.17 0.00 0.19 0.00 -2.24 -0.65 -4.60 114.28 102.80 2inp n THR 62 Ca -0.03 -0.49 0.16 0.00 -2.27 0.00 0.00 64.05 61.43 2inp n THR 62 Cb 0.12 1.31 0.78 0.00 -2.10 0.00 0.00 70.33 70.45 2inp n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2inp h ALA 63 N 3.05 1.93 0.00 6.98 0.00 -1.14 -1.86 119.26 128.21 2inp h ALA 63 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2inp h ALA 63 Cb 0.64 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2inp h ALA 63 CO 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2inp h ALA 64 N 1.82 1.00 -2.68 0.00 0.00 -1.82 -3.44 119.26 114.14 2inp h ALA 64 Ca 0.09 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.45 2inp h ALA 64 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2inp h ALA 64 CO -0.00 0.00 0.11 -1.58 0.00 0.00 0.00 179.25 177.78 2inp s HIS 65 N -3.62 3.66 0.55 0.00 5.04 -0.70 -4.95 115.29 115.27 2inp s HIS 65 Ca 0.02 1.34 0.26 0.00 -1.54 0.00 0.00 55.06 55.14 2inp s HIS 65 Cb 0.09 -2.79 1.46 0.00 0.04 0.00 0.00 32.58 31.38 2inp s HIS 65 CO 0.51 0.20 2.03 -1.35 -2.34 0.00 0.00 174.74 173.79 2inp h PRO 66 N 6.16 0.00 0.00 2.88 0.11 -1.88 0.38 132.00 139.64 2inp h PRO 66 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2inp h PRO 66 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2inp h PRO 66 CO 0.73 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 178.08 2inp h ASP 67 N 0.00 0.00 -0.01 -2.05 3.32 -1.93 -3.38 116.42 112.37 2inp h ASP 67 Ca 0.18 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 2inp h ASP 67 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 2inp h ASP 67 CO -0.00 0.00 -0.43 -1.28 -1.72 0.00 0.00 179.24 175.81 2inp h SER 68 N 0.00 0.58 -0.59 6.45 0.87 -1.15 -2.45 113.55 117.25 2inp h SER 68 Ca 0.00 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 2inp h SER 68 Cb 0.25 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 2inp h SER 68 CO 0.00 0.93 0.38 0.00 -0.53 0.00 0.00 176.83 177.62 2inp h ALA 69 N 1.09 0.75 -0.19 6.23 0.00 -1.78 -2.82 119.26 122.54 2inp h ALA 69 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2inp h ALA 69 Cb 0.93 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2inp h ALA 69 CO 0.08 0.20 0.00 0.36 0.00 0.00 0.00 179.25 179.89 2inp n LYS 70 N -4.66 2.10 -1.83 0.00 0.00 -1.20 -4.91 118.16 107.65 2inp n LYS 70 Ca 0.04 -1.63 -0.37 0.00 -0.00 0.00 0.00 58.31 56.34 2inp n LYS 70 Cb 0.03 -1.46 0.05 0.00 -0.00 0.00 0.00 35.03 33.65 2inp n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2inp s ALA 71 N -1.76 2.62 -0.70 0.58 0.00 -0.93 -4.94 121.76 116.62 2inp s ALA 71 Ca 0.34 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.57 2inp s ALA 71 Cb 0.20 -3.54 0.17 0.00 0.00 0.00 0.00 23.12 19.96 2inp s ALA 71 CO 0.30 -1.39 0.50 0.34 0.00 0.00 0.00 175.76 175.50 2inp s ASP 72 N -1.24 4.87 0.30 0.00 2.15 -1.26 -4.94 116.67 116.55 2inp s ASP 72 Ca 0.76 -3.80 -0.01 0.00 0.43 0.00 0.00 52.55 49.93 2inp s ASP 72 Cb -0.37 -1.66 0.45 0.00 -0.30 0.00 0.00 42.92 41.05 2inp s ASP 72 CO 0.42 -0.10 1.90 -0.26 -0.17 0.00 0.00 175.17 176.96 2inp h PHE 73 N 5.50 0.91 -0.67 -5.34 0.04 -1.94 -2.45 116.94 112.99 2inp h PHE 73 Ca 0.13 -0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.89 2inp h PHE 73 Cb 0.77 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.59 2inp h PHE 73 CO 0.68 0.66 0.44 1.25 -0.60 0.00 0.00 178.31 180.74 2inp h LEU 74 N 0.92 0.73 -3.42 1.54 6.46 -1.98 -2.11 115.31 117.45 2inp h LEU 74 Ca 0.23 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2inp h LEU 74 Cb 0.09 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 2inp h LEU 74 CO -0.03 0.52 0.00 0.59 -0.62 0.00 0.00 178.44 178.90 2inp n ASN 75 N -4.45 5.13 -3.38 1.25 3.02 -0.94 -4.89 115.26 111.01 2inp n ASN 75 Ca 0.08 -2.85 -0.15 0.00 -0.03 0.00 0.00 54.58 51.62 2inp n ASN 75 Cb 0.08 -0.63 0.09 0.00 -0.61 0.00 0.00 39.78 38.71 2inp n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2inp n ALA 76 N 0.46 -0.26 -2.60 5.41 0.00 -0.80 -5.03 120.51 117.69 2inp n ALA 76 Ca 0.26 -1.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.16 2inp n ALA 76 Cb 1.07 0.10 -0.06 0.00 0.00 0.00 0.00 19.45 20.57 2inp n ALA 76 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2inp s GLU 77 N -4.27 3.91 0.11 0.00 2.02 -0.02 -4.93 118.70 115.53 2inp s GLU 77 Ca 0.42 0.42 0.04 0.00 0.02 0.00 0.00 54.97 55.87 2inp s GLU 77 Cb -0.02 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.44 2inp s GLU 77 CO 0.28 -0.64 0.07 -1.58 0.02 0.00 0.00 175.26 173.41 2inp s TRP 78 N 2.79 3.10 0.03 1.61 0.52 -1.26 -0.58 118.94 125.15 2inp s TRP 78 Ca 0.29 0.01 0.05 0.00 0.02 0.00 0.00 56.10 56.46 2inp s TRP 78 Cb -0.14 -1.55 -0.02 0.00 -1.15 0.00 0.00 33.47 30.60 2inp s TRP 78 CO 0.12 0.51 -0.15 -0.51 0.02 0.00 0.00 176.95 176.95 2inp s LEU 79 N -2.59 2.15 -0.15 2.99 1.02 -0.80 -1.87 118.68 119.44 2inp s LEU 79 Ca 0.29 -0.44 0.00 0.00 0.02 0.00 0.00 54.13 54.00 2inp s LEU 79 Cb -0.11 -0.65 0.02 0.00 0.02 0.00 0.00 46.19 45.47 2inp s LEU 79 CO 0.21 0.06 -0.14 -0.22 0.02 0.00 0.00 176.35 176.28 2inp s LEU 80 N -1.05 1.67 -1.61 1.79 0.20 0.85 -1.67 118.68 118.85 2inp s LEU 80 Ca 0.03 -0.48 -0.10 0.00 0.69 0.00 0.00 54.13 54.26 2inp s LEU 80 Cb -0.08 -1.17 0.09 0.00 -0.43 0.00 0.00 46.19 44.61 2inp s LEU 80 CO 0.01 -0.06 0.46 0.59 -0.29 0.00 0.00 176.35 177.06 2inp n ASN 81 N 4.78 -1.17 0.00 3.68 3.02 -0.14 -0.67 115.26 124.75 2inp n ASN 81 Ca -0.17 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 2inp n ASN 81 Cb 0.50 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.31 2inp n ASN 81 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2inp n ASP 82 N -2.77 -1.27 -4.73 6.41 8.00 -1.26 -5.03 116.55 115.91 2inp n ASP 82 Ca -0.13 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.07 2inp n ASP 82 Cb 0.59 -0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 41.15 2inp n ASP 82 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2inp s GLU 83 N -0.14 2.72 0.67 -1.24 0.41 0.15 -5.03 118.70 116.24 2inp s GLU 83 Ca 0.00 -0.75 -0.16 0.00 -0.41 0.00 0.00 54.97 53.64 2inp s GLU 83 Cb 0.00 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.72 2inp s GLU 83 CO 0.00 0.56 1.21 -2.14 -0.49 0.00 0.00 175.26 174.40 2inp s PRO 84 N -2.28 2.51 -0.15 0.39 0.02 -1.26 -0.11 135.00 134.13 2inp s PRO 84 Ca 0.27 1.77 -0.16 0.00 0.02 0.00 0.00 61.00 62.90 2inp s PRO 84 Cb -0.12 -1.88 0.04 0.00 0.02 0.00 0.00 34.50 32.57 2inp s PRO 84 CO 0.19 -1.55 0.45 0.12 -0.33 0.00 0.00 177.00 175.88 2inp s PHE 85 N -1.84 -0.47 -0.30 6.54 5.36 -0.78 -4.65 117.98 121.84 2inp s PHE 85 Ca 0.75 1.11 0.03 0.00 -0.96 0.00 0.00 56.93 57.87 2inp s PHE 85 Cb -0.29 0.17 0.08 0.00 -0.34 0.00 0.00 43.02 42.64 2inp s PHE 85 CO 0.40 -0.27 -0.02 0.99 -1.46 0.00 0.00 175.22 174.86 2inp s THR 86 N 0.02 2.11 0.42 0.12 2.01 -1.26 -4.19 115.64 114.87 2inp s THR 86 Ca -0.02 -1.92 -0.25 0.00 0.31 0.00 0.00 61.69 59.81 2inp s THR 86 Cb -0.03 -2.40 -0.10 0.00 0.01 0.00 0.00 72.50 69.98 2inp s THR 86 CO 0.01 -0.32 1.24 -2.65 -0.69 0.00 0.00 174.62 172.21 2inp n PRO 87 N 4.39 1.84 -3.45 4.92 -0.02 -1.26 -5.01 135.00 136.40 2inp n PRO 87 Ca -0.05 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.65 2inp n PRO 87 Cb 0.42 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 2inp n PRO 87 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2inp s LYS 88 N -2.20 2.91 0.41 -0.52 1.02 -1.26 -4.98 119.74 115.12 2inp s LYS 88 Ca 0.62 -1.30 0.19 0.00 0.02 0.00 0.00 55.97 55.49 2inp s LYS 88 Cb -0.51 -4.03 1.11 0.00 -0.52 0.00 0.00 37.83 33.88 2inp s LYS 88 CO 0.58 -0.96 1.80 0.00 -0.92 0.00 0.00 175.35 175.85 2inp h ALA 89 N 8.66 2.26 -0.06 5.17 0.00 -1.95 -2.31 119.26 131.03 2inp h ALA 89 Ca -0.27 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2inp h ALA 89 Cb 1.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2inp h ALA 89 CO 0.82 -0.62 0.00 -0.25 0.00 0.00 0.00 179.25 179.20 2inp n ASP 90 N -4.57 2.03 -4.87 0.00 8.00 -1.26 -1.32 116.55 114.57 2inp n ASP 90 Ca 0.23 -1.52 -0.31 0.00 0.71 0.00 0.00 54.79 53.90 2inp n ASP 90 Cb 0.83 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 2inp n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2inp s ALA 91 N -0.91 3.14 0.68 2.24 0.00 -0.87 -4.86 121.76 121.18 2inp s ALA 91 Ca 0.14 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 2inp s ALA 91 Cb 0.09 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 20.20 2inp s ALA 91 CO 0.14 -0.59 1.06 -1.54 0.00 0.00 0.00 175.76 174.83 2inp s SER 92 N -4.04 5.42 0.09 0.00 1.04 -1.26 -1.95 113.70 113.00 2inp s SER 92 Ca 0.54 1.67 -0.21 0.00 0.48 0.00 0.00 55.95 58.43 2inp s SER 92 Cb -0.11 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.39 2inp s SER 92 CO 0.50 -1.41 1.71 -0.07 0.98 0.00 0.00 173.24 174.94 2inp h LEU 93 N -0.48 0.13 -0.29 2.42 4.07 -0.92 -3.16 115.31 117.08 2inp h LEU 93 Ca -0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.45 2inp h LEU 93 Cb 1.21 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2inp h LEU 93 CO 0.57 0.15 0.15 0.50 -1.08 0.00 0.00 178.44 178.73 2inp h LYS 94 N 0.09 0.41 -0.92 1.13 1.63 -1.55 -2.27 116.57 115.10 2inp h LYS 94 Ca 0.04 -0.05 0.23 0.00 -0.85 0.00 0.00 60.65 60.01 2inp h LYS 94 Cb 0.05 -0.08 -0.13 0.00 -0.60 0.00 0.00 32.23 31.47 2inp h LYS 94 CO -0.01 0.37 0.42 1.49 -3.45 0.00 0.00 179.45 178.28 2inp h GLU 95 N 0.35 0.40 -0.79 1.90 4.81 -1.84 0.41 114.58 119.82 2inp h GLU 95 Ca 0.10 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 2inp h GLU 95 Cb 0.08 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 2inp h GLU 95 CO -0.01 0.26 0.14 0.00 -0.73 0.00 0.00 179.01 178.67 2inp n GLN 96 N -5.03 3.28 -0.69 1.92 10.64 -1.13 -4.94 117.38 121.43 2inp n GLN 96 Ca 0.23 -2.25 0.00 0.00 -1.83 0.00 0.00 57.00 53.15 2inp n GLN 96 Cb 0.69 -2.00 0.00 0.00 -0.86 0.00 0.00 30.24 28.07 2inp n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2inp n GLY 97 N 0.12 0.79 3.51 2.61 0.00 0.13 -4.99 105.19 107.37 2inp n GLY 97 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2inp n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2inp s ILE 98 N -2.96 4.28 0.15 -0.61 1.01 -0.87 -4.97 121.20 117.22 2inp s ILE 98 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 59.51 2inp s ILE 98 Cb 0.00 -4.95 0.02 0.00 0.01 0.00 0.00 42.46 37.54 2inp s ILE 98 CO 0.00 -1.76 0.16 -0.90 0.00 0.00 0.00 174.94 172.44 2inp n ASP 99 N 7.86 0.96 -4.72 3.58 5.68 -1.26 -3.85 116.55 124.80 2inp n ASP 99 Ca 0.30 -1.44 -0.42 0.00 -0.50 0.00 0.00 54.79 52.73 2inp n ASP 99 Cb 0.50 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 2inp n ASP 99 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2inp s HIS 100 N -0.29 3.13 -1.64 2.11 5.65 -1.26 -0.78 115.29 122.22 2inp s HIS 100 Ca 0.12 0.78 0.00 0.00 0.25 0.00 0.00 55.06 56.21 2inp s HIS 100 Cb -0.01 -3.82 0.00 0.00 -1.18 0.00 0.00 32.58 27.57 2inp s HIS 100 CO 0.08 -2.97 0.00 1.63 -0.65 0.00 0.00 174.74 172.83 2inp n LYS 101 N 3.87 -1.24 -1.36 2.88 5.02 0.16 -4.93 118.16 122.57 2inp n LYS 101 Ca 0.13 0.98 -0.32 0.00 -2.02 0.00 0.00 58.31 57.07 2inp n LYS 101 Cb 0.40 -5.28 0.09 0.00 -0.02 0.00 0.00 35.03 30.22 2inp n LYS 101 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2inp s SER 102 N -2.59 4.41 -0.15 4.39 0.01 0.04 -4.82 113.70 114.98 2inp s SER 102 Ca 0.00 2.02 0.01 0.00 1.31 0.00 0.00 55.95 59.29 2inp s SER 102 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2inp s SER 102 CO 0.00 -2.10 -0.17 -0.32 0.41 0.00 0.00 173.24 171.05 2inp s MET 103 N -4.44 3.16 -0.00 12.44 1.75 -1.26 -1.42 119.30 129.52 2inp s MET 103 Ca 0.66 -0.78 -0.18 0.00 -1.25 0.00 0.00 55.69 54.14 2inp s MET 103 Cb -0.21 -2.58 -0.06 0.00 2.84 0.00 0.00 34.83 34.83 2inp s MET 103 CO 0.50 -0.01 0.52 -0.51 -0.65 0.00 0.00 175.02 174.87 2inp s LEU 104 N 0.85 4.43 -0.17 4.11 1.43 -0.31 -0.97 118.68 128.05 2inp s LEU 104 Ca -0.05 1.08 -0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2inp s LEU 104 Cb -0.15 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.26 2inp s LEU 104 CO -0.01 0.18 -0.08 -0.89 0.23 0.00 0.00 176.35 175.78 2inp s THR 105 N -0.49 3.39 -0.22 5.49 2.01 -0.67 -0.43 115.64 124.72 2inp s THR 105 Ca 0.28 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 2inp s THR 105 Cb -0.18 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.87 2inp s THR 105 CO 0.15 0.48 -0.12 0.54 -0.69 0.00 0.00 174.62 174.99 2inp s VAL 106 N 0.73 2.58 -0.21 3.82 0.11 0.41 -1.91 120.40 125.93 2inp s VAL 106 Ca -0.03 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 58.00 2inp s VAL 106 Cb -0.15 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.45 2inp s VAL 106 CO 0.02 0.36 0.07 -0.89 -3.33 0.00 0.00 175.10 171.33 2inp s THR 107 N 1.32 4.62 -0.52 5.04 2.01 0.26 -3.69 115.64 124.67 2inp s THR 107 Ca 0.02 -0.08 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 2inp s THR 107 Cb -0.15 -3.12 0.13 0.00 0.01 0.00 0.00 72.50 69.37 2inp s THR 107 CO -0.08 0.40 0.46 0.42 -0.69 0.00 0.00 174.62 175.13 2inp s THR 108 N 0.94 4.94 -0.15 -0.82 -4.23 -1.26 -0.84 115.64 114.23 2inp s THR 108 Ca 0.04 -1.59 -0.40 0.00 -1.18 0.00 0.00 61.69 58.56 2inp s THR 108 Cb -0.14 -4.19 -0.17 0.00 1.34 0.00 0.00 72.50 69.34 2inp s THR 108 CO 0.03 -0.85 1.50 -2.65 -0.54 0.00 0.00 174.62 172.11 2inp n PRO 109 N 5.14 0.85 -0.93 3.99 -0.02 -1.26 -1.04 135.00 141.73 2inp n PRO 109 Ca -0.12 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2inp n PRO 109 Cb 0.40 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2inp n PRO 109 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2inp n GLY 110 N 3.24 0.27 3.03 -1.23 0.00 -1.26 -4.96 105.19 104.29 2inp n GLY 110 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 2inp n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2inp s LEU 111 N 0.00 4.83 -0.31 0.99 1.43 -0.21 -4.97 118.68 120.44 2inp s LEU 111 Ca 0.00 -2.60 0.08 0.00 -1.03 0.00 0.00 54.13 50.58 2inp s LEU 111 Cb 0.00 -1.73 0.48 0.00 0.03 0.00 0.00 46.19 44.97 2inp s LEU 111 CO 0.00 -0.36 1.42 2.29 0.23 0.00 0.00 176.35 179.93 2inp n LYS 112 N 3.74 2.23 0.00 1.70 2.85 -1.26 -4.66 118.16 122.75 2inp n LYS 112 Ca 0.04 -3.43 0.00 0.00 -1.05 0.00 0.00 58.31 53.87 2inp n LYS 112 Cb 0.38 -1.92 0.00 0.00 -0.65 0.00 0.00 35.03 32.84 2inp n LYS 112 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2inp n GLY 113 N -1.03 -2.34 3.90 2.58 0.00 -1.08 -3.82 105.19 103.41 2inp n GLY 113 Ca 0.36 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 2inp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2inp s MET 114 N -0.82 3.64 -1.48 1.61 1.00 -1.26 -4.62 119.30 117.38 2inp s MET 114 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 55.69 55.65 2inp s MET 114 Cb 0.00 -2.67 0.02 0.00 0.00 0.00 0.00 34.83 32.18 2inp s MET 114 CO 0.00 0.25 0.42 0.00 0.00 0.00 0.00 175.02 175.69 2inp n ALA 115 N -0.77 -0.92 -1.30 3.03 0.00 -1.26 -1.09 120.51 118.20 2inp n ALA 115 Ca -0.02 0.20 -0.11 0.00 0.00 0.00 0.00 53.44 53.52 2inp n ALA 115 Cb 0.54 -3.12 -0.05 0.00 0.00 0.00 0.00 19.45 16.82 2inp n ALA 115 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2inp n ASN 116 N -2.32 -3.07 -0.52 0.00 3.02 -1.26 -4.78 115.26 106.33 2inp n ASN 116 Ca -0.12 0.27 0.05 0.00 -0.03 0.00 0.00 54.58 54.76 2inp n ASN 116 Cb 0.61 -2.89 0.10 0.00 -0.61 0.00 0.00 39.78 36.99 2inp n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2inp n ALA 117 N 0.33 2.32 -2.62 5.41 0.00 -0.25 -4.99 120.51 120.72 2inp n ALA 117 Ca -0.11 -0.86 -0.19 0.00 0.00 0.00 0.00 53.44 52.27 2inp n ALA 117 Cb 0.38 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.45 2inp n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2inp n GLY 118 N 0.53 -0.39 0.84 0.00 0.00 -1.22 -4.92 105.19 100.03 2inp n GLY 118 Ca 0.09 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2inp n GLY 118 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30