#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hov n THR 3 N 0.00 0.00 -3.45 1.09 -1.04 -1.26 -4.94 114.28 104.68 3hov n THR 3 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 3hov n THR 3 Cb 0.00 -0.37 -0.02 0.00 -1.82 0.00 0.00 70.33 68.13 3hov n THR 3 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3hov s PHE 4 N 3.61 2.64 0.28 -1.42 -0.12 -1.26 -5.08 117.98 116.63 3hov s PHE 4 Ca 0.84 -0.50 0.02 0.00 -0.05 0.00 0.00 56.93 57.24 3hov s PHE 4 Cb -1.10 -2.20 -0.04 0.00 -0.63 0.00 0.00 43.02 39.05 3hov s PHE 4 CO 0.52 -0.23 0.14 -0.98 -0.05 0.00 0.00 175.22 174.63 3hov s ARG 5 N -4.20 1.49 0.37 1.99 1.70 -1.26 -5.14 118.95 113.90 3hov s ARG 5 Ca 0.49 -1.83 0.08 0.00 -0.47 0.00 0.00 55.73 54.00 3hov s ARG 5 Cb -0.04 -0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 34.21 3hov s ARG 5 CO 0.29 -0.40 0.20 -0.06 -1.08 0.00 0.00 175.30 174.25 3hov s PHE 6 N -3.72 2.70 0.57 5.89 0.40 -1.26 -3.73 117.98 118.82 3hov s PHE 6 Ca 0.37 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 56.15 3hov s PHE 6 Cb 0.06 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 3hov s PHE 6 CO 0.16 0.21 0.97 0.00 0.70 0.00 0.00 175.22 177.26 3hov n ARG 8 N -2.39 3.44 0.00 0.00 1.74 -1.26 -3.11 116.66 115.08 3hov n ARG 8 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3hov n ARG 8 Cb 0.54 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.98 3hov n ARG 8 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hov n ASP 9 N 0.00 0.00 -2.80 0.55 8.00 -1.26 -2.31 116.55 118.73 3hov n ASP 9 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 3hov n ASP 9 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.14 3hov n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hov n ASN 11 N -0.51 0.00 -0.27 0.00 2.85 -0.98 -4.87 115.26 111.48 3hov n ASN 11 Ca 0.55 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.02 3hov n ASN 11 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 3hov n ASN 11 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3hov n ASN 12 N 0.00 1.46 -4.89 1.20 5.03 -1.26 -4.92 115.26 111.88 3hov n ASN 12 Ca 0.00 -0.16 -0.24 0.00 0.87 0.00 0.00 54.58 55.05 3hov n ASN 12 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 3hov n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3hov s MET 13 N 0.53 3.22 -0.16 3.52 -2.45 -1.26 -3.28 119.30 119.42 3hov s MET 13 Ca 0.00 -0.77 -0.01 0.00 -1.25 0.00 0.00 55.69 53.66 3hov s MET 13 Cb 0.00 -2.80 -0.01 0.00 1.25 0.00 0.00 34.83 33.26 3hov s MET 13 CO 0.00 0.48 -0.11 -0.51 1.05 0.00 0.00 175.02 175.93 3hov s LEU 14 N -3.44 2.74 -0.37 4.11 1.43 -1.24 -4.52 118.68 117.39 3hov s LEU 14 Ca 0.33 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3hov s LEU 14 Cb -0.10 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.50 3hov s LEU 14 CO 0.27 0.11 0.21 -0.31 0.23 0.00 0.00 176.35 176.85 3hov s TYR 15 N 0.70 3.24 0.25 0.29 1.51 -0.44 -4.69 117.35 118.20 3hov s TYR 15 Ca -0.05 -0.90 -0.27 0.00 -1.01 0.00 0.00 57.07 54.84 3hov s TYR 15 Cb -0.15 -2.44 -0.16 0.00 -0.11 0.00 0.00 41.96 39.10 3hov s TYR 15 CO 0.02 -0.62 0.61 -0.35 -1.11 0.00 0.00 175.55 174.09 3hov n PRO 16 N 5.00 0.35 -4.34 -1.71 -0.04 -1.26 -3.26 135.00 129.74 3hov n PRO 16 Ca -0.12 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 3hov n PRO 16 Cb 0.46 -1.22 -0.10 0.00 -0.04 0.00 0.00 33.50 32.60 3hov n PRO 16 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hov s ARG 17 N -1.16 1.37 -0.07 0.54 1.81 0.52 -4.89 118.95 117.07 3hov s ARG 17 Ca 0.62 -1.70 0.05 0.00 -1.72 0.00 0.00 55.73 52.98 3hov s ARG 17 Cb -0.84 -0.58 -0.01 0.00 -0.45 0.00 0.00 34.95 33.08 3hov s ARG 17 CO 0.58 -0.13 -0.23 -2.00 -0.68 0.00 0.00 175.30 172.83 3hov s GLU 18 N -3.89 2.51 -0.95 3.54 2.12 -1.26 -0.64 118.70 120.13 3hov s GLU 18 Ca 0.30 -0.83 -0.21 0.00 0.36 0.00 0.00 54.97 54.59 3hov s GLU 18 Cb 0.06 -2.06 0.08 0.00 0.26 0.00 0.00 34.13 32.48 3hov s GLU 18 CO 0.10 0.29 1.28 0.34 -0.54 0.00 0.00 175.26 176.73 3hov s ASP 19 N 0.04 6.51 0.05 -1.70 -1.08 0.29 -4.86 116.67 115.92 3hov s ASP 19 Ca -0.08 -1.61 -0.17 0.00 -0.52 0.00 0.00 52.55 50.18 3hov s ASP 19 Cb -0.15 -2.49 -0.07 0.00 -1.46 0.00 0.00 42.92 38.75 3hov s ASP 19 CO 0.05 -1.34 1.26 0.11 0.52 0.00 0.00 175.17 175.77 3hov h LYS 20 N 9.41 -0.36 -0.39 4.34 1.57 -1.96 0.51 116.57 129.70 3hov h LYS 20 Ca 0.13 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.97 3hov h LYS 20 Cb 1.02 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.35 3hov h LYS 20 CO 1.28 -0.24 -0.40 1.49 -0.57 0.00 0.00 179.45 181.01 3hov h GLU 21 N -0.37 -0.20 -0.00 3.15 4.81 -1.99 -2.70 114.58 117.27 3hov h GLU 21 Ca -0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hov h GLU 21 Cb 0.37 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3hov h GLU 21 CO -0.13 -0.14 -0.15 0.09 -0.73 0.00 0.00 179.01 177.96 3hov n ASN 22 N -4.57 0.28 -2.75 1.04 3.02 -1.22 -5.00 115.26 106.07 3hov n ASN 22 Ca -0.02 -0.10 -0.04 0.00 -0.03 0.00 0.00 54.58 54.39 3hov n ASN 22 Cb 0.22 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.23 3hov n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hov n ASN 23 N -1.29 -7.09 -3.56 6.41 4.13 0.18 -5.05 115.26 108.99 3hov n ASN 23 Ca 0.10 0.22 -0.14 0.00 1.68 0.00 0.00 54.58 56.44 3hov n ASN 23 Cb 0.31 -4.77 -0.06 0.00 -1.54 0.00 0.00 39.78 33.72 3hov n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hov s ARG 24 N -2.68 0.84 0.15 3.52 1.70 -1.12 -4.98 118.95 116.39 3hov s ARG 24 Ca 0.11 0.35 -0.28 0.00 -0.47 0.00 0.00 55.73 55.45 3hov s ARG 24 Cb -0.03 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.67 3hov s ARG 24 CO 0.66 -0.23 0.87 -1.17 -1.08 0.00 0.00 175.30 174.34 3hov s LEU 25 N -0.83 4.56 -0.08 -1.89 2.96 -1.26 -0.55 118.68 121.60 3hov s LEU 25 Ca -0.05 1.73 -0.01 0.00 -0.22 0.00 0.00 54.13 55.58 3hov s LEU 25 Cb -0.01 -3.44 0.03 0.00 0.50 0.00 0.00 46.19 43.26 3hov s LEU 25 CO 0.05 0.09 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.39 3hov s LEU 26 N -0.67 0.79 0.11 -0.68 1.43 0.19 -1.04 118.68 118.81 3hov s LEU 26 Ca 0.40 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 53.13 3hov s LEU 26 Cb -0.23 -0.54 -0.07 0.00 0.03 0.00 0.00 46.19 45.38 3hov s LEU 26 CO 0.28 -0.16 0.72 -0.36 0.23 0.00 0.00 176.35 177.06 3hov s PHE 27 N 1.81 3.84 0.05 0.29 2.99 -0.24 0.19 117.98 126.92 3hov s PHE 27 Ca 0.03 1.51 -0.05 0.00 0.00 0.00 0.00 56.93 58.42 3hov s PHE 27 Cb -0.12 -2.71 -0.02 0.00 0.00 0.00 0.00 43.02 40.17 3hov s PHE 27 CO -0.05 0.48 0.08 -1.83 -0.00 0.00 0.00 175.22 173.89 3hov s GLU 28 N -0.89 0.62 0.25 0.44 -1.05 -1.20 -1.03 118.70 115.84 3hov s GLU 28 Ca 0.35 -0.87 -0.14 0.00 -0.15 0.00 0.00 54.97 54.16 3hov s GLU 28 Cb -0.22 0.24 -0.08 0.00 -0.44 0.00 0.00 34.13 33.63 3hov s GLU 28 CO 0.24 -0.15 0.64 0.00 0.95 0.00 0.00 175.26 176.93 3hov n ARG 30 N 0.04 2.61 -0.02 0.00 1.74 -1.26 -4.45 116.66 115.31 3hov n ARG 30 Ca 0.00 -2.50 -0.01 0.00 -0.77 0.00 0.00 57.85 54.57 3hov n ARG 30 Cb 0.52 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3hov n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hov n THR 31 N -0.46 0.21 -2.83 0.55 -1.04 -1.26 -5.06 114.28 104.38 3hov n THR 31 Ca 0.16 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3hov n THR 31 Cb 0.69 -0.87 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 3hov n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hov n SER 33 N 0.00 3.22 -4.56 0.00 7.64 -1.26 -4.74 113.62 113.93 3hov n SER 33 Ca 0.00 -2.74 -0.34 0.00 1.01 0.00 0.00 58.87 56.79 3hov n SER 33 Cb 0.00 -0.41 0.10 0.00 -1.01 0.00 0.00 64.21 62.89 3hov n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hov n TYR 34 N -0.49 -0.00 -3.63 1.43 9.36 -1.26 -4.89 117.16 117.67 3hov n TYR 34 Ca 0.16 0.35 -0.13 0.00 3.32 0.00 0.00 57.90 61.61 3hov n TYR 34 Cb 0.69 -1.98 -0.07 0.00 -0.63 0.00 0.00 39.34 37.36 3hov n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3hov s VAL 35 N -2.09 0.00 -0.09 2.97 1.01 -1.26 -2.86 120.40 118.09 3hov s VAL 35 Ca 0.67 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 3hov s VAL 35 Cb -0.30 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.11 3hov s VAL 35 CO 0.56 0.00 0.33 -1.83 0.00 0.00 0.00 175.10 174.16 3hov s GLU 36 N 0.45 0.49 0.40 2.72 -1.05 -0.20 -5.02 118.70 116.50 3hov s GLU 36 Ca -0.00 0.25 -0.26 0.00 -0.15 0.00 0.00 54.97 54.80 3hov s GLU 36 Cb -0.05 0.23 -0.11 0.00 -0.44 0.00 0.00 34.13 33.76 3hov s GLU 36 CO -0.01 -0.09 1.20 -0.85 0.95 0.00 0.00 175.26 176.46 3hov n GLU 37 N 2.34 1.81 -2.25 -4.83 0.28 -1.26 -1.08 120.64 115.65 3hov n GLU 37 Ca -0.16 0.64 -0.41 0.00 -0.16 0.00 0.00 57.16 57.07 3hov n GLU 37 Cb 0.57 -2.26 -0.03 0.00 1.43 0.00 0.00 31.44 31.15 3hov n GLU 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hov s ALA 38 N -1.19 3.50 0.24 -1.84 0.00 -0.21 -4.71 121.76 117.55 3hov s ALA 38 Ca 0.60 1.09 0.08 0.00 0.00 0.00 0.00 51.96 53.73 3hov s ALA 38 Cb -0.54 -3.46 0.24 0.00 0.00 0.00 0.00 23.12 19.35 3hov s ALA 38 CO 0.59 -0.50 1.54 0.78 0.00 0.00 0.00 175.76 178.17 3hov h GLY 39 N 5.04 0.10 -3.90 0.00 0.00 -1.91 -3.46 103.07 98.93 3hov h GLY 39 Ca -0.45 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 3hov h GLY 39 CO 0.75 0.12 -0.42 -0.45 0.00 0.00 0.00 176.54 176.54 3hov s SER 40 N -6.86 0.08 0.00 0.19 0.15 -1.26 -5.03 113.70 100.96 3hov s SER 40 Ca -0.02 -0.43 0.27 0.00 0.70 0.00 0.00 55.95 56.47 3hov s SER 40 Cb 0.12 0.28 1.47 0.00 -1.71 0.00 0.00 66.02 66.18 3hov s SER 40 CO 0.78 -0.56 1.96 -0.81 1.20 0.00 0.00 173.24 175.81 3hov n PRO 41 N 0.65 0.56 -2.85 5.44 -0.04 -1.26 -4.60 135.00 132.89 3hov n PRO 41 Ca -0.19 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 62.86 3hov n PRO 41 Cb 0.59 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 3hov n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hov s LEU 42 N -2.37 4.60 0.11 1.53 2.96 -1.26 -4.87 118.68 119.39 3hov s LEU 42 Ca 0.31 -1.57 -0.00 0.00 -0.22 0.00 0.00 54.13 52.65 3hov s LEU 42 Cb 0.19 -2.43 -0.18 0.00 0.50 0.00 0.00 46.19 44.27 3hov s LEU 42 CO 0.38 -1.27 1.25 0.58 -1.32 0.00 0.00 176.35 175.97 3hov h VAL 43 N 6.00 1.54 -2.62 1.68 2.07 -1.97 -3.48 116.25 119.47 3hov h VAL 43 Ca -0.00 -2.97 -0.10 0.00 0.82 0.00 0.00 66.70 64.45 3hov h VAL 43 Cb 1.04 2.75 -0.22 0.00 -1.52 0.00 0.00 31.29 33.34 3hov h VAL 43 CO 1.18 0.86 -0.13 -0.47 0.02 0.00 0.00 177.57 179.03 3hov s TYR 44 N -2.87 -0.44 -0.03 1.57 5.04 -1.26 -5.10 117.35 114.26 3hov s TYR 44 Ca -0.03 0.95 0.01 0.00 -2.44 0.00 0.00 57.07 55.56 3hov s TYR 44 Cb 0.09 0.19 0.01 0.00 0.35 0.00 0.00 41.96 42.61 3hov s TYR 44 CO 0.85 -0.36 -0.04 0.50 -1.34 0.00 0.00 175.55 175.17 3hov s ARG 45 N -0.47 0.56 0.00 4.97 6.06 -1.26 -5.09 118.95 123.71 3hov s ARG 45 Ca -0.06 -0.09 0.00 0.00 -2.50 0.00 0.00 55.73 53.08 3hov s ARG 45 Cb -0.03 -0.60 0.00 0.00 0.06 0.00 0.00 34.95 34.38 3hov s ARG 45 CO 0.03 -0.03 0.00 1.58 -2.50 0.00 0.00 175.30 174.39 3hov n HIS 46 N 3.70 0.00 -2.07 5.12 -0.00 -1.26 -5.10 115.22 115.61 3hov n HIS 46 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.48 3hov n HIS 46 Cb 0.53 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 3hov n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3hov n GLU 47 N -2.23 -1.25 0.08 1.57 2.13 -1.26 -5.03 120.64 114.66 3hov n GLU 47 Ca 0.00 1.33 -0.04 0.00 0.66 0.00 0.00 57.16 59.11 3hov n GLU 47 Cb 0.00 -3.19 -0.02 0.00 0.27 0.00 0.00 31.44 28.50 3hov n GLU 47 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3hov h LEU 48 N 1.06 -0.23 -7.80 4.31 3.38 -2.08 -3.37 115.31 110.58 3hov h LEU 48 Ca 0.00 0.01 -0.71 0.00 0.09 0.00 0.00 57.88 57.26 3hov h LEU 48 Cb 0.27 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.93 3hov h LEU 48 CO 0.07 0.11 1.44 -0.63 0.09 0.00 0.00 178.44 179.52 3hov s ILE 49 N -2.43 4.78 0.99 1.22 1.01 -1.26 -4.99 121.20 120.52 3hov s ILE 49 Ca -0.04 -2.28 -0.17 0.00 0.00 0.00 0.00 60.65 58.16 3hov s ILE 49 Cb 0.00 -4.95 0.25 0.00 0.01 0.00 0.00 42.46 37.77 3hov s ILE 49 CO 0.12 -1.69 0.86 0.41 0.00 0.00 0.00 174.94 174.64 3hov n THR 50 N 5.16 0.00 -0.00 2.92 -1.04 -1.26 -5.01 114.28 115.04 3hov n THR 50 Ca 0.37 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hov n THR 50 Cb 0.45 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 3hov n THR 50 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3hov n ASN 51 N -4.52 0.00 -4.58 8.00 4.13 -1.26 -5.09 115.26 111.94 3hov n ASN 51 Ca 0.12 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.97 3hov n ASN 51 Cb 0.47 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.68 3hov n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3hov s ILE 52 N 0.00 3.56 0.00 2.41 -4.36 -1.26 -1.61 121.20 119.94 3hov s ILE 52 Ca 0.00 0.49 0.00 0.00 -0.26 0.00 0.00 60.65 60.88 3hov s ILE 52 Cb 0.00 -4.00 0.00 0.00 1.25 0.00 0.00 42.46 39.71 3hov s ILE 52 CO 0.00 -0.80 0.00 0.61 0.24 0.00 0.00 174.94 174.99 3hov n GLY 53 N 5.43 0.79 0.63 6.27 0.00 -1.26 -4.99 105.19 112.06 3hov n GLY 53 Ca 0.19 0.00 0.47 0.00 0.00 0.00 0.00 46.02 46.68 3hov n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hov n GLU 54 N 0.00 -0.00 -2.11 1.61 1.02 -0.63 -0.74 120.64 119.78 3hov n GLU 54 Ca 0.00 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 3hov n GLU 54 Cb 0.00 -2.24 0.04 0.00 -0.02 0.00 0.00 31.44 29.21 3hov n GLU 54 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3hov n THR 55 N -3.76 0.48 -0.83 2.62 -1.04 -1.26 -2.99 114.28 107.50 3hov n THR 55 Ca 0.40 -1.59 -0.34 0.00 -2.04 0.00 0.00 64.05 60.49 3hov n THR 55 Cb 1.79 1.05 0.11 0.00 -1.82 0.00 0.00 70.33 71.46 3hov n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hov n ALA 56 N -0.29 -3.44 -2.47 2.41 0.00 0.08 -4.39 120.51 112.42 3hov n ALA 56 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.71 3hov n ALA 56 Cb 0.92 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3hov n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hov n GLY 57 N 2.01 0.00 2.68 0.00 0.00 -1.26 -4.97 105.19 103.65 3hov n GLY 57 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 3hov n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hov n VAL 58 N 2.25 0.85 -1.05 1.61 0.31 -1.26 -5.06 118.33 115.97 3hov n VAL 58 Ca 0.00 -2.77 -0.36 0.00 -0.01 0.00 0.00 64.34 61.20 3hov n VAL 58 Cb 0.00 0.79 0.06 0.00 -0.91 0.00 0.00 33.84 33.77 3hov n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3hov n VAL 59 N -0.22 0.36 0.48 2.52 0.31 -1.26 -4.71 118.33 115.82 3hov n VAL 59 Ca 0.07 -0.41 0.02 0.00 -0.01 0.00 0.00 64.34 64.00 3hov n VAL 59 Cb 0.82 -0.28 0.13 0.00 -0.91 0.00 0.00 33.84 33.60 3hov n VAL 59 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3hov n GLN 60 N 0.79 0.24 0.00 5.55 -0.06 -1.26 -0.70 117.38 121.94 3hov n GLN 60 Ca 0.04 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.13 3hov n GLN 60 Cb 0.53 -1.27 -0.07 0.00 -4.06 0.00 0.00 30.24 25.37 3hov n GLN 60 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3hov n ASP 61 N -0.77 1.32 -0.17 1.69 8.00 -1.26 -4.51 116.55 120.85 3hov n ASP 61 Ca 0.03 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.37 3hov n ASP 61 Cb 0.01 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 3hov n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hov n ILE 62 N -0.87 0.00 0.03 0.53 3.06 0.12 0.23 119.36 122.46 3hov n ILE 62 Ca 0.06 0.00 0.01 0.00 -2.50 0.00 0.00 62.75 60.31 3hov n ILE 62 Cb 0.35 -0.33 -0.01 0.00 0.54 0.00 0.00 39.64 40.19 3hov n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3hov n GLY 63 N -0.13 0.42 1.00 4.50 0.00 -1.26 -4.58 105.19 105.14 3hov n GLY 63 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3hov n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hov n SER 64 N -1.28 2.91 -4.36 1.61 3.41 0.63 -4.77 113.62 111.76 3hov n SER 64 Ca 0.00 -2.00 -0.45 0.00 -0.26 0.00 0.00 58.87 56.16 3hov n SER 64 Cb 0.02 -0.36 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 3hov n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hov s ASP 65 N -1.02 6.18 0.47 4.04 2.15 -1.23 -4.94 116.67 122.32 3hov s ASP 65 Ca 0.36 -1.49 0.20 0.00 0.43 0.00 0.00 52.55 52.05 3hov s ASP 65 Cb 0.19 -2.23 1.20 0.00 -0.30 0.00 0.00 42.92 41.78 3hov s ASP 65 CO 0.25 -0.84 1.95 1.55 -0.17 0.00 0.00 175.17 177.92 3hov h PRO 66 N 8.91 0.23 -0.14 4.34 0.13 -1.96 -2.02 132.00 141.48 3hov h PRO 66 Ca -0.29 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.86 3hov h PRO 66 Cb 1.10 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3hov h PRO 66 CO 0.99 0.15 0.29 1.79 -0.23 0.00 0.00 178.00 180.99 3hov h THR 67 N 0.24 0.20 -3.38 1.56 1.35 -1.99 -3.43 112.91 107.46 3hov h THR 67 Ca 0.32 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.63 3hov h THR 67 Cb 0.91 0.74 -0.04 0.00 -1.73 0.00 0.00 68.15 68.04 3hov h THR 67 CO -0.07 0.00 0.01 -0.76 -0.25 0.00 0.00 175.52 174.45 3hov s LEU 68 N -6.63 4.42 0.61 3.87 1.43 -0.76 -5.08 118.68 116.54 3hov s LEU 68 Ca -0.04 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 3hov s LEU 68 Cb 0.12 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 3hov s LEU 68 CO 0.42 0.15 1.08 -2.16 0.23 0.00 0.00 176.35 176.06 3hov s PRO 69 N -1.63 3.15 -0.10 1.29 0.04 -1.26 -4.97 135.00 131.51 3hov s PRO 69 Ca 0.36 1.29 0.02 0.00 0.04 0.00 0.00 61.00 62.72 3hov s PRO 69 Cb -0.17 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.37 3hov s PRO 69 CO 0.20 -0.96 -0.17 1.03 0.04 0.00 0.00 177.00 177.14 3hov s ARG 70 N -4.02 2.40 0.11 4.56 1.81 -1.26 -3.22 118.95 119.33 3hov s ARG 70 Ca 0.65 -0.64 0.07 0.00 -1.72 0.00 0.00 55.73 54.09 3hov s ARG 70 Cb -0.18 -1.96 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 3hov s ARG 70 CO 0.38 0.01 -0.06 -1.54 -0.68 0.00 0.00 175.30 173.40 3hov s SER 71 N 0.78 4.61 -0.07 0.23 1.04 -1.12 -4.97 113.70 114.20 3hov s SER 71 Ca -0.11 -0.34 0.11 0.00 0.48 0.00 0.00 55.95 56.09 3hov s SER 71 Cb -0.16 -0.95 0.44 0.00 0.10 0.00 0.00 66.02 65.45 3hov s SER 71 CO 0.01 0.16 1.28 -0.90 0.98 0.00 0.00 173.24 174.78 3hov n ASP 72 N 0.51 3.08 -4.74 7.02 5.75 -1.26 -2.62 116.55 124.30 3hov n ASP 72 Ca -0.12 -2.28 -0.34 0.00 -0.01 0.00 0.00 54.79 52.04 3hov n ASP 72 Cb 0.53 -0.45 0.07 0.00 -1.03 0.00 0.00 41.12 40.23 3hov n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hov s ARG 73 N -1.73 2.53 -0.17 0.11 0.52 -1.26 -4.62 118.95 114.33 3hov s ARG 73 Ca 0.31 1.68 -0.06 0.00 -0.52 0.00 0.00 55.73 57.14 3hov s ARG 73 Cb 0.20 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 3hov s ARG 73 CO 0.15 -1.52 0.04 -1.83 0.02 0.00 0.00 175.30 172.16 3hov s GLU 74 N -3.80 3.84 0.99 3.54 -1.05 -1.26 -3.97 118.70 117.00 3hov s GLU 74 Ca 0.73 -0.37 -0.12 0.00 -0.15 0.00 0.00 54.97 55.05 3hov s GLU 74 Cb -0.27 -3.13 0.12 0.00 -0.44 0.00 0.00 34.13 30.41 3hov s GLU 74 CO 0.41 0.31 0.71 0.00 0.95 0.00 0.00 175.26 177.64 3hov h PRO 76 N -1.91 0.00 0.00 0.00 0.11 -1.96 -3.31 132.00 124.94 3hov h PRO 76 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hov h PRO 76 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3hov h PRO 76 CO 0.39 0.06 0.00 1.63 -0.21 0.00 0.00 178.00 179.87 3hov n LYS 77 N -3.80 0.00 0.00 1.05 5.02 -1.26 -4.80 118.16 114.37 3hov n LYS 77 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3hov n LYS 77 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.16 3hov n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hov n HIS 79 N -0.12 -1.34 -2.19 0.00 8.25 -1.25 -4.89 115.22 113.69 3hov n HIS 79 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3hov n HIS 79 Cb 0.00 -1.09 -0.03 0.00 1.12 0.00 0.00 29.99 29.99 3hov n HIS 79 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 3hov s SER 80 N -1.41 6.84 -0.12 0.41 0.01 -1.26 -4.61 113.70 113.57 3hov s SER 80 Ca 0.00 2.29 0.02 0.00 1.31 0.00 0.00 55.95 59.57 3hov s SER 80 Cb 0.00 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 63.87 3hov s SER 80 CO 0.00 -0.65 1.15 0.54 0.41 0.00 0.00 173.24 174.69 3hov n ARG 81 N 4.11 1.65 -3.77 12.44 5.12 -1.26 -2.97 116.66 131.99 3hov n ARG 81 Ca 0.12 -0.93 -0.37 0.00 -1.93 0.00 0.00 57.85 54.73 3hov n ARG 81 Cb 0.43 -1.48 -0.12 0.00 -1.16 0.00 0.00 32.46 30.12 3hov n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3hov s GLU 82 N -1.18 2.56 0.07 5.56 2.02 -1.25 -4.21 118.70 122.26 3hov s GLU 82 Ca 0.17 -1.25 0.03 0.00 0.02 0.00 0.00 54.97 53.95 3hov s GLU 82 Cb 0.14 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 3hov s GLU 82 CO 0.04 -0.70 -0.10 -0.80 0.02 0.00 0.00 175.26 173.72 3hov s ASN 83 N 1.46 1.27 -0.42 -0.19 0.01 -1.08 -1.71 114.94 114.29 3hov s ASN 83 Ca -0.01 -0.65 0.04 0.00 -0.71 0.00 0.00 52.86 51.52 3hov s ASN 83 Cb -0.20 0.00 0.17 0.00 0.41 0.00 0.00 41.25 41.63 3hov s ASN 83 CO 0.02 -0.19 0.34 0.54 -1.51 0.00 0.00 177.10 176.30 3hov s VAL 84 N -1.70 0.47 0.83 1.60 0.11 -1.15 -2.81 120.40 117.75 3hov s VAL 84 Ca -0.03 -2.70 -0.10 0.00 -2.93 0.00 0.00 61.98 56.23 3hov s VAL 84 Cb -0.08 -1.34 0.14 0.00 -1.53 0.00 0.00 36.38 33.58 3hov s VAL 84 CO 0.01 -1.21 1.16 0.72 -3.33 0.00 0.00 175.10 172.44 3hov s PHE 85 N 0.02 1.99 0.00 1.54 -0.12 -1.20 -4.09 117.98 116.12 3hov s PHE 85 Ca 0.32 0.22 0.00 0.00 -0.05 0.00 0.00 56.93 57.42 3hov s PHE 85 Cb 0.02 -3.57 0.00 0.00 -0.63 0.00 0.00 43.02 38.84 3hov s PHE 85 CO -0.19 -2.06 0.00 1.97 -0.05 0.00 0.00 175.22 174.89 3hov n PHE 86 N -3.30 0.00 -4.63 3.49 1.16 -0.97 -4.44 117.46 108.78 3hov n PHE 86 Ca 0.13 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.42 3hov n PHE 86 Cb 0.60 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.39 3hov n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3hov s GLN 87 N 1.07 2.03 -0.29 3.97 -0.21 -1.26 -2.15 119.66 122.81 3hov s GLN 87 Ca 0.00 -2.25 -0.34 0.00 0.02 0.00 0.00 55.36 52.79 3hov s GLN 87 Cb 0.00 -1.18 -0.10 0.00 1.00 0.00 0.00 33.01 32.72 3hov s GLN 87 CO 0.00 -0.34 2.14 0.45 -2.12 0.00 0.00 175.29 175.41 3hov n SER 88 N -1.19 2.51 0.00 5.90 2.88 -1.26 -4.74 113.62 117.72 3hov n SER 88 Ca -0.12 0.48 0.01 0.00 -1.33 0.00 0.00 58.87 57.91 3hov n SER 88 Cb 0.66 -1.32 0.08 0.00 -0.75 0.00 0.00 64.21 62.88 3hov n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hov n GLN 89 N 7.97 0.47 -2.92 -1.46 1.13 -1.16 -4.43 117.38 116.97 3hov n GLN 89 Ca 0.36 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.99 3hov n GLN 89 Cb 0.27 -1.09 -0.05 0.00 0.11 0.00 0.00 30.24 29.48 3hov n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3hov s GLN 90 N -2.00 3.33 -1.62 -1.09 0.74 -1.25 -4.84 119.66 112.93 3hov s GLN 90 Ca 0.04 -0.29 -0.10 0.00 0.05 0.00 0.00 55.36 55.06 3hov s GLN 90 Cb 0.02 -4.02 -0.08 0.00 1.10 0.00 0.00 33.01 30.03 3hov s GLN 90 CO 0.03 -1.32 2.95 0.54 -0.55 0.00 0.00 175.29 176.94 3hov n ARG 91 N 7.02 3.72 -4.54 1.67 5.12 -1.26 -4.86 116.66 123.53 3hov n ARG 91 Ca 0.01 -2.24 -0.31 0.00 -1.93 0.00 0.00 57.85 53.38 3hov n ARG 91 Cb 0.47 -2.80 -0.11 0.00 -1.16 0.00 0.00 32.46 28.86 3hov n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3hov s ARG 92 N 2.09 2.32 0.18 5.56 3.52 -1.26 -5.04 118.95 126.33 3hov s ARG 92 Ca 0.69 -0.85 -0.12 0.00 -0.13 0.00 0.00 55.73 55.32 3hov s ARG 92 Cb 0.18 -2.35 0.17 0.00 -1.56 0.00 0.00 34.95 31.39 3hov s ARG 92 CO -0.06 0.57 1.76 1.57 -0.81 0.00 0.00 175.30 178.33 3hov h LYS 93 N 4.49 0.41 0.00 5.12 -0.00 -2.04 -2.61 116.57 121.94 3hov h LYS 93 Ca -0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 3hov h LYS 93 Cb 1.16 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.30 3hov h LYS 93 CO 0.51 0.27 0.00 -0.40 -0.00 0.00 0.00 179.45 179.83 3hov n ASP 94 N -4.95 0.12 -4.36 7.07 5.75 -1.26 -4.88 116.55 114.04 3hov n ASP 94 Ca 0.05 0.53 -0.38 0.00 -0.01 0.00 0.00 54.79 54.98 3hov n ASP 94 Cb 0.18 -0.55 0.03 0.00 -1.03 0.00 0.00 41.12 39.74 3hov n ASP 94 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3hov n THR 95 N -1.63 1.22 -2.74 2.12 -1.04 -0.98 -4.98 114.28 106.24 3hov n THR 95 Ca 0.03 -0.49 -0.20 0.00 -2.04 0.00 0.00 64.05 61.35 3hov n THR 95 Cb 0.19 -0.38 0.04 0.00 -1.82 0.00 0.00 70.33 68.35 3hov n THR 95 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hov s SER 96 N -1.12 5.29 -0.74 8.00 1.04 -1.26 -5.03 113.70 119.88 3hov s SER 96 Ca 0.63 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.88 3hov s SER 96 Cb -0.45 -0.70 0.37 0.00 0.10 0.00 0.00 66.02 65.34 3hov s SER 96 CO 0.60 -1.11 1.79 0.23 0.98 0.00 0.00 173.24 175.73 3hov n MET 97 N -2.26 2.93 -3.69 4.02 2.81 -1.26 -4.66 117.12 115.00 3hov n MET 97 Ca 0.09 -3.78 -0.34 0.00 -1.81 0.00 0.00 57.70 51.86 3hov n MET 97 Cb 0.60 -2.27 -0.05 0.00 -0.71 0.00 0.00 33.22 30.79 3hov n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hov s VAL 98 N -5.19 5.22 0.40 2.03 1.01 -1.26 -5.08 120.40 117.54 3hov s VAL 98 Ca 0.51 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.65 3hov s VAL 98 Cb 0.43 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 3hov s VAL 98 CO -0.36 0.32 0.76 -0.76 0.00 0.00 0.00 175.10 175.07 3hov s LEU 99 N -1.86 3.83 -0.19 3.92 1.43 -1.26 -4.25 118.68 120.29 3hov s LEU 99 Ca 0.30 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 3hov s LEU 99 Cb -0.13 -3.98 0.04 0.00 0.03 0.00 0.00 46.19 42.15 3hov s LEU 99 CO 0.17 -0.40 -0.08 -0.36 0.23 0.00 0.00 176.35 175.92 3hov s PHE 100 N -2.38 2.14 0.03 0.29 0.40 -0.91 -3.26 117.98 114.28 3hov s PHE 100 Ca 0.51 -1.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.41 3hov s PHE 100 Cb -0.10 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.88 3hov s PHE 100 CO 0.32 -0.70 0.18 -0.06 0.70 0.00 0.00 175.22 175.67 3hov s PHE 101 N 1.49 3.49 -0.12 0.36 0.40 0.16 -2.28 117.98 121.48 3hov s PHE 101 Ca -0.01 0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.59 3hov s PHE 101 Cb -0.16 -1.77 0.02 0.00 0.51 0.00 0.00 43.02 41.62 3hov s PHE 101 CO -0.08 0.60 -0.11 0.08 0.70 0.00 0.00 175.22 176.42 3hov s VAL 102 N -1.42 1.24 0.19 -0.44 1.01 -1.26 -1.40 120.40 118.33 3hov s VAL 102 Ca 0.31 -0.45 -0.31 0.00 0.00 0.00 0.00 61.98 61.54 3hov s VAL 102 Cb -0.13 -1.20 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 3hov s VAL 102 CO 0.23 0.40 1.43 0.00 0.00 0.00 0.00 175.10 177.17 3hov h LEU 104 N 5.86 0.00 -5.44 0.00 3.38 -1.69 -2.56 115.31 114.86 3hov h LEU 104 Ca -0.44 -0.04 -0.66 0.00 0.09 0.00 0.00 57.88 56.84 3hov h LEU 104 Cb 1.21 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.59 3hov h LEU 104 CO 0.83 0.02 -0.13 -1.20 0.09 0.00 0.00 178.44 178.05 3hov n SER 105 N -2.28 5.42 0.00 -0.43 7.64 -1.26 -4.73 113.62 117.98 3hov n SER 105 Ca 0.05 -3.70 0.00 0.00 1.01 0.00 0.00 58.87 56.23 3hov n SER 105 Cb 0.44 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3hov n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hov n SER 107 N 0.00 -2.55 -4.59 0.00 7.64 -0.96 -5.02 113.62 108.13 3hov n SER 107 Ca 0.00 -0.11 -0.38 0.00 1.01 0.00 0.00 58.87 59.39 3hov n SER 107 Cb 0.00 -1.38 -0.11 0.00 -1.01 0.00 0.00 64.21 61.71 3hov n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3hov s HIS 108 N -3.06 3.22 -0.93 1.43 5.65 -1.26 -4.84 115.29 115.50 3hov s HIS 108 Ca 0.07 0.16 -0.24 0.00 0.25 0.00 0.00 55.06 55.30 3hov s HIS 108 Cb -0.03 -2.41 0.05 0.00 -1.18 0.00 0.00 32.58 29.01 3hov s HIS 108 CO 0.14 -0.17 1.38 0.42 -0.65 0.00 0.00 174.74 175.86 3hov s ILE 109 N 1.80 3.90 0.25 0.89 1.01 -1.26 -2.91 121.20 124.89 3hov s ILE 109 Ca 0.08 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 60.39 3hov s ILE 109 Cb -0.16 -5.00 -0.04 0.00 0.01 0.00 0.00 42.46 37.27 3hov s ILE 109 CO 0.11 -1.89 -0.08 0.72 0.00 0.00 0.00 174.94 173.80 3hov s PHE 110 N 5.09 2.57 0.37 3.97 -0.12 -0.50 -4.79 117.98 124.57 3hov s PHE 110 Ca 0.42 -0.25 0.04 0.00 -0.05 0.00 0.00 56.93 57.08 3hov s PHE 110 Cb -0.03 -1.16 0.04 0.00 -0.63 0.00 0.00 43.02 41.24 3hov s PHE 110 CO -0.02 0.62 0.32 2.41 -0.05 0.00 0.00 175.22 178.50 3hov n THR 111 N -0.63 0.00 -0.24 -4.49 -1.04 -1.26 0.36 114.28 106.98 3hov n THR 111 Ca -0.07 -1.42 0.00 0.00 -2.04 0.00 0.00 64.05 60.53 3hov n THR 111 Cb 0.58 -0.28 0.01 0.00 -1.82 0.00 0.00 70.33 68.82 3hov n THR 111 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hov n SER 112 N -2.02 1.66 -4.71 8.00 3.41 -1.20 -4.89 113.62 113.87 3hov n SER 112 Ca 0.01 -1.88 -0.35 0.00 -0.26 0.00 0.00 58.87 56.39 3hov n SER 112 Cb 0.41 -0.02 0.10 0.00 -0.26 0.00 0.00 64.21 64.44 3hov n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hov s ASP 113 N -0.92 4.06 -0.24 4.04 -1.08 -1.26 -4.94 116.67 116.33 3hov s ASP 113 Ca 0.02 2.49 0.19 0.00 -0.52 0.00 0.00 52.55 54.73 3hov s ASP 113 Cb 0.01 -2.60 0.44 0.00 -1.46 0.00 0.00 42.92 39.31 3hov s ASP 113 CO 0.00 -2.36 1.23 0.00 0.52 0.00 0.00 175.17 174.56 3hov n GLN 114 N -2.65 1.34 0.00 4.34 6.02 -1.26 -4.78 117.38 120.39 3hov n GLN 114 Ca 0.15 -2.56 0.00 0.00 -0.01 0.00 0.00 57.00 54.57 3hov n GLN 114 Cb 0.49 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 31.01 3hov n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hov n LYS 115 N -0.71 2.13 -4.27 -1.09 5.02 -1.26 -5.13 118.16 112.86 3hov n LYS 115 Ca -0.02 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 3hov n LYS 115 Cb 0.86 -0.30 -0.10 0.00 -0.02 0.00 0.00 35.03 35.46 3hov n LYS 115 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hov s ASN 116 N -0.42 1.18 -0.04 4.39 0.01 -1.26 -5.16 114.94 113.64 3hov s ASN 116 Ca 0.00 -1.27 -0.00 0.00 -0.71 0.00 0.00 52.86 50.88 3hov s ASN 116 Cb 0.00 0.14 0.03 0.00 0.41 0.00 0.00 41.25 41.83 3hov s ASN 116 CO 0.00 -0.65 0.00 -0.54 -1.51 0.00 0.00 177.10 174.40 3hov s LYS 117 N -3.97 0.43 0.51 -0.60 3.01 -1.26 -4.78 119.74 113.07 3hov s LYS 117 Ca 0.31 0.09 0.03 0.00 -1.01 0.00 0.00 55.97 55.39 3hov s LYS 117 Cb 0.07 -0.68 -0.00 0.00 -1.01 0.00 0.00 37.83 36.21 3hov s LYS 117 CO 0.08 -0.19 0.16 1.03 0.51 0.00 0.00 175.35 176.94 3hov s ARG 118 N 1.39 2.21 0.00 1.68 0.52 -1.26 -5.06 118.95 118.42 3hov s ARG 118 Ca -0.04 -2.20 0.00 0.00 -0.52 0.00 0.00 55.73 52.96 3hov s ARG 118 Cb -0.13 -1.77 0.00 0.00 0.52 0.00 0.00 34.95 33.56 3hov s ARG 118 CO -0.02 -0.41 0.14 2.41 0.02 0.00 0.00 175.30 177.44 3hov n THR 119 N -1.42 0.00 0.95 0.02 -1.04 -1.26 -5.04 114.28 106.49 3hov n THR 119 Ca -0.11 -0.24 0.11 0.00 -2.04 0.00 0.00 64.05 61.78 3hov n THR 119 Cb 0.66 1.32 0.10 0.00 -1.82 0.00 0.00 70.33 70.58 3hov n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43