#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hov s ASN 3 N 0.00 -0.38 0.93 4.04 0.01 -1.26 -4.91 114.94 113.36 3hov s ASN 3 Ca 0.00 0.19 -0.11 0.00 -0.71 0.00 0.00 52.86 52.22 3hov s ASN 3 Cb 0.00 0.45 0.15 0.00 0.41 0.00 0.00 41.25 42.25 3hov s ASN 3 CO 0.00 -0.64 1.09 -0.89 -1.51 0.00 0.00 177.10 175.15 3hov s THR 4 N -2.08 2.54 0.00 1.60 2.01 -1.26 -3.41 115.64 115.04 3hov s THR 4 Ca -0.08 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3hov s THR 4 Cb -0.01 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.93 3hov s THR 4 CO 0.01 -0.23 0.02 0.18 -0.69 0.00 0.00 174.62 173.91 3hov n LEU 5 N -4.03 0.03 -3.62 4.42 4.77 -1.26 -4.72 117.00 112.60 3hov n LEU 5 Ca 0.07 -0.17 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 3hov n LEU 5 Cb 0.55 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 3hov n LEU 5 CO 0.55 0.01 0.73 0.12 -1.33 0.00 0.00 177.39 177.47 3hov s PHE 6 N -0.29 -0.46 -0.14 -1.77 5.36 -1.26 -4.23 117.98 115.19 3hov s PHE 6 Ca 0.00 1.03 -0.18 0.00 -0.96 0.00 0.00 56.93 56.82 3hov s PHE 6 Cb 0.00 0.39 0.05 0.00 -0.34 0.00 0.00 43.02 43.11 3hov s PHE 6 CO 0.00 -0.28 0.48 0.34 -1.46 0.00 0.00 175.22 174.30 3hov s ASP 7 N -0.20 -0.48 0.00 6.13 -1.08 -1.26 -2.83 116.67 116.95 3hov s ASP 7 Ca 0.01 0.82 0.00 0.00 -0.52 0.00 0.00 52.55 52.86 3hov s ASP 7 Cb -0.04 0.85 0.00 0.00 -1.46 0.00 0.00 42.92 42.27 3hov s ASP 7 CO -0.03 -0.26 0.00 -0.67 0.52 0.00 0.00 175.17 174.73 3hov n ASP 8 N 2.37 0.00 -4.22 -0.34 4.64 -1.05 -5.01 116.55 112.94 3hov n ASP 8 Ca -0.15 0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 52.96 3hov n ASP 8 Cb 0.57 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.48 3hov n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hov s ILE 9 N -2.00 1.87 0.47 5.18 1.01 -1.26 -0.42 121.20 126.05 3hov s ILE 9 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3hov s ILE 9 Cb 0.00 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 3hov s ILE 9 CO 0.00 0.52 0.01 -0.36 0.00 0.00 0.00 174.94 175.11 3hov s PHE 10 N -0.00 2.11 -0.08 3.97 0.40 -0.47 -1.41 117.98 122.49 3hov s PHE 10 Ca -0.06 -0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 55.41 3hov s PHE 10 Cb -0.14 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 41.75 3hov s PHE 10 CO 0.04 0.30 -0.03 -1.14 0.70 0.00 0.00 175.22 175.10 3hov s GLN 11 N -3.81 0.93 -0.60 0.44 0.74 -0.45 -1.95 119.66 114.95 3hov s GLN 11 Ca 0.17 -0.04 -0.31 0.00 0.05 0.00 0.00 55.36 55.23 3hov s GLN 11 Cb 0.05 -1.14 -0.13 0.00 1.10 0.00 0.00 33.01 32.88 3hov s GLN 11 CO 0.09 -0.26 2.42 0.28 -0.55 0.00 0.00 175.29 177.27 3hov n VAL 12 N 4.91 0.03 0.02 1.34 0.31 -1.14 -2.74 118.33 121.06 3hov n VAL 12 Ca -0.11 -0.35 -0.12 0.00 -0.01 0.00 0.00 64.34 63.75 3hov n VAL 12 Cb 0.50 -1.63 -0.08 0.00 -0.91 0.00 0.00 33.84 31.72 3hov n VAL 12 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3hov h SER 13 N 14.52 0.01 -4.93 4.52 0.87 0.12 0.16 113.55 128.82 3hov h SER 13 Ca -0.19 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 3hov h SER 13 Cb 1.30 -0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.12 3hov h SER 13 CO 1.18 0.19 0.25 -0.70 -0.53 0.00 0.00 176.83 177.22 3hov s GLU 14 N -5.47 1.15 -0.10 2.24 2.12 -1.10 -4.65 118.70 112.91 3hov s GLU 14 Ca -0.14 -0.27 0.04 0.00 0.36 0.00 0.00 54.97 54.97 3hov s GLU 14 Cb 0.05 0.53 -0.00 0.00 0.26 0.00 0.00 34.13 34.97 3hov s GLU 14 CO 0.67 -0.47 -0.24 0.08 -0.54 0.00 0.00 175.26 174.76 3hov s VAL 15 N -3.01 2.03 -0.08 3.70 1.01 -1.26 -2.37 120.40 120.42 3hov s VAL 15 Ca -0.01 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.97 3hov s VAL 15 Cb -0.01 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.64 3hov s VAL 15 CO -0.07 0.55 -0.07 -0.62 0.00 0.00 0.00 175.10 174.89 3hov s ASP 16 N 0.31 1.66 -0.80 3.32 2.15 0.41 -4.97 116.67 118.76 3hov s ASP 16 Ca -0.18 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.60 3hov s ASP 16 Cb -0.18 -0.68 0.30 0.00 -0.30 0.00 0.00 42.92 42.06 3hov s ASP 16 CO 0.08 -0.07 1.18 -0.81 -0.17 0.00 0.00 175.17 175.39 3hov n PRO 17 N 4.40 3.74 -1.83 4.34 -0.04 -1.26 -0.07 135.00 144.27 3hov n PRO 17 Ca -0.18 -4.70 -0.23 0.00 -0.04 0.00 0.00 63.50 58.35 3hov n PRO 17 Cb 0.51 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 3hov n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hov s GLY 18 N -2.37 -0.25 -1.22 0.55 0.00 -1.26 -3.15 107.32 99.62 3hov s GLY 18 Ca 0.40 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 3hov s GLY 18 CO -0.04 3.81 0.93 0.54 0.00 0.00 0.00 173.10 178.35 3hov n ARG 19 N 8.88 -6.14 -3.34 2.90 5.12 -1.26 -4.99 116.66 117.83 3hov n ARG 19 Ca 0.41 0.80 -0.24 0.00 -1.93 0.00 0.00 57.85 56.88 3hov n ARG 19 Cb 0.46 -5.71 -0.09 0.00 -1.16 0.00 0.00 32.46 25.96 3hov n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3hov s TYR 20 N -3.43 0.65 0.63 -1.55 4.12 -1.19 -5.02 117.35 111.56 3hov s TYR 20 Ca 0.01 -1.92 0.17 0.00 0.02 0.00 0.00 57.07 55.35 3hov s TYR 20 Cb -0.00 -0.75 0.75 0.00 -1.52 0.00 0.00 41.96 40.44 3hov s TYR 20 CO 0.75 -0.88 1.35 -0.91 0.02 0.00 0.00 175.55 175.88 3hov h ASN 21 N 5.91 0.00 0.00 2.29 4.21 -1.94 -2.65 115.58 123.40 3hov h ASN 21 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 3hov h ASN 21 Cb 0.95 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 3hov h ASN 21 CO 0.30 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.73 3hov n LYS 22 N -2.97 0.32 -3.87 0.81 5.02 -1.26 -4.99 118.16 111.22 3hov n LYS 22 Ca 0.09 -0.49 -0.12 0.00 -2.02 0.00 0.00 58.31 55.77 3hov n LYS 22 Cb 1.05 -0.61 -0.13 0.00 -0.02 0.00 0.00 35.03 35.32 3hov n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hov s VAL 23 N -0.13 0.01 -0.03 -0.18 1.01 -1.00 -2.60 120.40 117.48 3hov s VAL 23 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.95 3hov s VAL 23 Cb 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 36.30 3hov s VAL 23 CO 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 175.10 174.94 3hov s ARG 25 N 0.03 4.27 0.18 0.00 3.52 0.89 -0.74 118.95 127.10 3hov s ARG 25 Ca -0.01 0.62 0.09 0.00 -0.13 0.00 0.00 55.73 56.30 3hov s ARG 25 Cb -0.09 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3hov s ARG 25 CO 0.01 0.35 -0.18 -1.50 -0.81 0.00 0.00 175.30 173.17 3hov s ILE 26 N -0.09 1.86 -0.08 4.11 2.07 0.16 -0.44 121.20 128.79 3hov s ILE 26 Ca 0.29 -2.00 -0.04 0.00 -1.41 0.00 0.00 60.65 57.49 3hov s ILE 26 Cb -0.17 -1.91 0.04 0.00 0.13 0.00 0.00 42.46 40.55 3hov s ILE 26 CO 0.15 -0.36 0.19 -1.61 -1.91 0.00 0.00 174.94 171.40 3hov s GLU 27 N -2.97 0.13 0.06 3.50 2.02 -1.00 -0.02 118.70 120.42 3hov s GLU 27 Ca 0.18 0.45 -0.03 0.00 0.02 0.00 0.00 54.97 55.58 3hov s GLU 27 Cb -0.05 -0.16 -0.03 0.00 0.10 0.00 0.00 34.13 33.99 3hov s GLU 27 CO 0.07 -0.17 0.03 0.00 0.02 0.00 0.00 175.26 175.21 3hov s ALA 28 N 1.28 0.30 0.20 5.21 0.00 -0.85 0.16 121.76 128.07 3hov s ALA 28 Ca -0.08 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.90 3hov s ALA 28 Cb -0.11 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 3hov s ALA 28 CO -0.07 -0.41 0.13 0.00 0.00 0.00 0.00 175.76 175.41 3hov s ALA 29 N -3.90 3.51 0.31 0.00 0.00 -1.11 -1.55 121.76 119.01 3hov s ALA 29 Ca 0.07 -1.33 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 3hov s ALA 29 Cb 0.07 -1.26 -0.09 0.00 0.00 0.00 0.00 23.12 21.83 3hov s ALA 29 CO -0.10 0.40 1.09 0.45 0.00 0.00 0.00 175.76 177.60 3hov s SER 30 N -3.36 7.13 -0.52 0.00 0.15 -0.80 -1.35 113.70 114.95 3hov s SER 30 Ca 0.31 2.22 -0.03 0.00 0.70 0.00 0.00 55.95 59.15 3hov s SER 30 Cb -0.09 -2.62 0.16 0.00 -1.71 0.00 0.00 66.02 61.76 3hov s SER 30 CO 0.23 -0.24 2.50 0.41 1.20 0.00 0.00 173.24 177.34 3hov n THR 31 N 0.87 3.32 0.00 6.45 -1.04 -0.50 -4.57 114.28 118.81 3hov n THR 31 Ca 0.00 -3.06 0.00 0.00 -2.04 0.00 0.00 64.05 58.95 3hov n THR 31 Cb 0.46 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 3hov n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3hov n THR 32 N 0.44 0.00 -1.73 12.58 -1.04 -1.26 -4.94 114.28 118.33 3hov n THR 32 Ca 0.48 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.07 3hov n THR 32 Cb 0.50 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.98 3hov n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3hov s GLN 33 N 1.62 4.13 -0.32 -2.82 1.11 -1.26 -4.83 119.66 117.29 3hov s GLN 33 Ca 0.00 2.60 0.01 0.00 0.01 0.00 0.00 55.36 57.98 3hov s GLN 33 Cb 0.00 -3.17 0.35 0.00 -1.01 0.00 0.00 33.01 29.19 3hov s GLN 33 CO 0.00 -0.77 1.73 -0.25 0.01 0.00 0.00 175.29 176.01 3hov n ASP 34 N 4.29 4.68 -0.01 5.90 8.00 -1.26 -3.15 116.55 134.99 3hov n ASP 34 Ca 0.16 -3.07 -0.01 0.00 0.71 0.00 0.00 54.79 52.58 3hov n ASP 34 Cb 0.36 -0.83 -0.01 0.00 -0.02 0.00 0.00 41.12 40.62 3hov n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hov n GLN 35 N -0.29 1.81 -2.05 -1.24 6.02 -1.26 -4.98 117.38 115.39 3hov n GLN 35 Ca 0.37 0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 57.00 3hov n GLN 35 Cb 0.98 -1.05 -0.03 0.00 1.02 0.00 0.00 30.24 31.16 3hov n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hov s LYS 37 N 7.03 3.31 -0.11 0.00 1.02 -1.26 -1.91 119.74 127.82 3hov s LYS 37 Ca 0.67 -0.86 -0.10 0.00 0.02 0.00 0.00 55.97 55.70 3hov s LYS 37 Cb -0.12 -2.86 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 3hov s LYS 37 CO 0.17 0.30 0.30 -1.17 -0.92 0.00 0.00 175.35 174.03 3hov s LEU 38 N -4.04 0.82 -0.05 3.17 2.96 -0.60 -2.41 118.68 118.53 3hov s LEU 38 Ca 0.38 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.90 3hov s LEU 38 Cb -0.09 1.03 0.02 0.00 0.50 0.00 0.00 46.19 47.65 3hov s LEU 38 CO 0.30 -0.11 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.29 3hov s THR 39 N 0.22 0.52 -0.20 3.68 2.01 -0.02 -2.00 115.64 119.85 3hov s THR 39 Ca -0.00 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.76 3hov s THR 39 Cb -0.02 -0.57 0.06 0.00 0.01 0.00 0.00 72.50 71.98 3hov s THR 39 CO -0.00 0.23 0.52 -0.22 -0.69 0.00 0.00 174.62 174.46 3hov s LEU 40 N 1.10 -0.18 0.23 4.42 2.96 0.97 -0.32 118.68 127.86 3hov s LEU 40 Ca -0.08 1.08 -0.23 0.00 -0.22 0.00 0.00 54.13 54.68 3hov s LEU 40 Cb -0.14 1.75 -0.09 0.00 0.50 0.00 0.00 46.19 48.22 3hov s LEU 40 CO -0.01 -0.19 0.79 -1.81 -1.32 0.00 0.00 176.35 173.81 3hov s ASP 41 N 0.83 7.21 -0.03 3.68 1.01 -0.88 0.37 116.67 128.86 3hov s ASP 41 Ca -0.04 1.58 -0.03 0.00 0.71 0.00 0.00 52.55 54.76 3hov s ASP 41 Cb -0.05 -2.48 0.01 0.00 1.01 0.00 0.00 42.92 41.41 3hov s ASP 41 CO -0.07 0.05 0.10 -0.63 0.21 0.00 0.00 175.17 174.83 3hov s ILE 42 N -1.46 0.01 -0.96 0.77 1.01 0.08 -4.85 121.20 115.80 3hov s ILE 42 Ca 0.43 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.79 3hov s ILE 42 Cb -0.19 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.14 3hov s ILE 42 CO 0.23 -0.03 1.58 0.21 0.00 0.00 0.00 174.94 176.93 3hov s ASN 43 N -0.05 6.09 0.00 3.58 3.84 -1.26 -1.54 114.94 125.59 3hov s ASN 43 Ca -0.01 -1.13 0.00 0.00 0.21 0.00 0.00 52.86 51.93 3hov s ASN 43 Cb -0.01 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.12 3hov s ASN 43 CO 0.00 -1.88 0.42 0.52 -2.79 0.00 0.00 177.10 173.37 3hov n VAL 44 N 7.13 0.17 -0.04 -5.21 0.31 -1.07 -2.20 118.33 117.42 3hov n VAL 44 Ca 0.33 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.61 3hov n VAL 44 Cb 0.50 -0.46 -0.05 0.00 -0.91 0.00 0.00 33.84 32.92 3hov n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hov n GLU 45 N 0.29 1.42 -0.69 5.55 2.13 -1.26 -4.12 120.64 123.96 3hov n GLU 45 Ca 0.00 0.03 0.09 0.00 0.66 0.00 0.00 57.16 57.93 3hov n GLU 45 Cb 0.21 -1.18 0.36 0.00 0.27 0.00 0.00 31.44 31.11 3hov n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hov n LEU 46 N -2.53 5.00 0.00 4.31 4.77 -0.93 -4.72 117.00 122.90 3hov n LEU 46 Ca -0.14 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.20 3hov n LEU 46 Cb 0.69 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3hov n LEU 46 CO 0.12 0.74 0.00 0.33 -1.33 0.00 0.00 177.39 177.25 3hov n PHE 47 N 0.83 0.00 -1.54 -1.77 7.35 -1.11 -4.94 117.46 116.28 3hov n PHE 47 Ca 0.26 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.62 3hov n PHE 47 Cb 0.99 0.00 0.07 0.00 0.35 0.00 0.00 39.48 40.89 3hov n PHE 47 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hov s PRO 48 N 0.00 2.40 -0.26 -7.13 0.02 -1.26 -4.11 135.00 124.66 3hov s PRO 48 Ca 0.00 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 62.53 3hov s PRO 48 Cb 0.00 -1.89 0.14 0.00 0.02 0.00 0.00 34.50 32.77 3hov s PRO 48 CO 0.00 -1.59 0.47 0.08 -0.33 0.00 0.00 177.00 175.63 3hov s VAL 49 N -2.23 -0.76 0.02 3.83 1.01 -1.26 -5.04 120.40 115.97 3hov s VAL 49 Ca 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 3hov s VAL 49 Cb -0.24 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3hov s VAL 49 CO 0.45 -0.04 0.14 0.00 0.00 0.00 0.00 175.10 175.65 3hov s ALA 50 N 2.68 3.80 0.53 5.51 0.00 -1.26 -4.86 121.76 128.16 3hov s ALA 50 Ca 0.11 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 51.02 3hov s ALA 50 Cb -0.14 -1.71 -0.09 0.00 0.00 0.00 0.00 23.12 21.17 3hov s ALA 50 CO -0.17 0.75 0.58 0.00 0.00 0.00 0.00 175.76 176.92 3hov n ALA 51 N 0.82 -1.06 -2.05 0.00 0.00 -1.26 -4.27 120.51 112.68 3hov n ALA 51 Ca -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 3hov n ALA 51 Cb 0.52 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.13 3hov n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hov n GLN 52 N 0.05 -1.18 -3.77 0.00 1.13 0.56 -4.96 117.38 109.22 3hov n GLN 52 Ca 0.11 1.29 -0.11 0.00 -1.94 0.00 0.00 57.00 56.35 3hov n GLN 52 Cb 0.45 -3.14 -0.07 0.00 0.11 0.00 0.00 30.24 27.60 3hov n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hov s ASP 53 N -1.34 -0.09 -0.53 1.08 1.01 -1.26 -4.85 116.67 110.69 3hov s ASP 53 Ca 0.07 -0.26 -0.12 0.00 0.71 0.00 0.00 52.55 52.95 3hov s ASP 53 Cb -0.02 0.35 0.13 0.00 1.01 0.00 0.00 42.92 44.40 3hov s ASP 53 CO 0.33 -0.63 0.44 -0.94 0.21 0.00 0.00 175.17 174.58 3hov s SER 54 N -2.17 5.96 -0.01 0.27 1.04 -1.26 -2.90 113.70 114.62 3hov s SER 54 Ca -0.04 -1.97 0.03 0.00 0.48 0.00 0.00 55.95 54.45 3hov s SER 54 Cb -0.00 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.99 3hov s SER 54 CO -0.04 -0.74 -0.06 -0.76 0.98 0.00 0.00 173.24 172.62 3hov s LEU 55 N 1.30 3.19 -0.33 2.42 1.43 -0.82 -4.67 118.68 121.19 3hov s LEU 55 Ca 0.06 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 3hov s LEU 55 Cb -0.26 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3hov s LEU 55 CO -0.00 0.30 0.21 -0.89 0.23 0.00 0.00 176.35 176.20 3hov s THR 56 N -0.95 4.96 0.04 5.49 2.01 -0.89 -1.37 115.64 124.93 3hov s THR 56 Ca 0.16 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.75 3hov s THR 56 Cb -0.11 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 3hov s THR 56 CO 0.06 -0.01 0.27 -0.69 -0.69 0.00 0.00 174.62 173.56 3hov s VAL 57 N 1.67 5.30 0.24 3.82 1.01 0.44 -2.75 120.40 130.13 3hov s VAL 57 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3hov s VAL 57 Cb -0.17 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3hov s VAL 57 CO 0.09 0.26 0.31 0.41 0.00 0.00 0.00 175.10 176.16 3hov n THR 58 N 0.76 0.00 0.00 3.92 -1.04 -1.01 -2.54 114.28 114.37 3hov n THR 58 Ca -0.08 -1.35 0.00 0.00 -2.04 0.00 0.00 64.05 60.57 3hov n THR 58 Cb 0.52 0.79 0.00 0.00 -1.82 0.00 0.00 70.33 69.82 3hov n THR 58 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hov n ILE 59 N -0.41 0.00 -0.15 12.58 5.41 -1.13 -3.71 119.36 131.95 3hov n ILE 59 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3hov n ILE 59 Cb 0.41 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.34 3hov n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hov n ALA 60 N -3.00 -0.62 -2.74 -1.39 0.00 -1.26 -4.24 120.51 107.25 3hov n ALA 60 Ca 0.00 0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.12 3hov n ALA 60 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3hov n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hov n SER 61 N -1.65 6.42 0.00 0.00 3.41 -1.22 -1.96 113.62 118.63 3hov n SER 61 Ca -0.00 -3.69 0.00 0.00 -0.26 0.00 0.00 58.87 54.92 3hov n SER 61 Cb 0.05 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 3hov n SER 61 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hov n SER 62 N -0.10 0.00 -1.55 4.04 2.88 -1.26 -4.05 113.62 113.58 3hov n SER 62 Ca 0.42 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.94 3hov n SER 62 Cb 0.30 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.76 3hov n SER 62 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hov n LEU 63 N 0.00 -0.11 0.08 2.46 4.77 -1.26 -4.84 117.00 118.11 3hov n LEU 63 Ca 0.00 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 3hov n LEU 63 Cb 0.00 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3hov n LEU 63 CO 0.00 1.13 0.00 -0.46 -1.33 0.00 0.00 177.39 176.73 3hov n ASN 64 N -0.07 0.31 -3.13 -1.43 6.94 -1.26 -1.64 115.26 114.98 3hov n ASN 64 Ca -0.11 0.28 -0.18 0.00 -0.02 0.00 0.00 54.58 54.54 3hov n ASN 64 Cb 0.89 0.07 -0.07 0.00 -2.36 0.00 0.00 39.78 38.31 3hov n ASN 64 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3hov n THR 76 N -3.29 0.00 -3.70 5.53 -2.24 -1.26 -4.97 114.28 104.35 3hov n THR 76 Ca 0.00 -2.29 0.00 0.00 -2.27 0.00 0.00 64.05 59.49 3hov n THR 76 Cb 0.00 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3hov n THR 76 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3hov n ARG 77 N -0.61 -0.37 -1.63 -0.78 0.63 -1.26 -5.10 116.66 107.55 3hov n ARG 77 Ca 0.07 0.00 -0.58 0.00 -0.92 0.00 0.00 57.85 56.42 3hov n ARG 77 Cb 0.58 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 33.41 3hov n ARG 77 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3hov n SER 78 N 0.45 1.34 -4.78 6.15 2.88 -1.26 -4.87 113.62 113.53 3hov n SER 78 Ca 0.00 1.13 -0.35 0.00 -1.33 0.00 0.00 58.87 58.32 3hov n SER 78 Cb 0.00 -1.05 -0.02 0.00 -0.75 0.00 0.00 64.21 62.39 3hov n SER 78 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3hov s TRP 79 N 1.63 2.98 0.19 0.66 -0.00 -1.26 -5.06 118.94 118.07 3hov s TRP 79 Ca 0.94 1.58 0.11 0.00 -0.00 0.00 0.00 56.10 58.73 3hov s TRP 79 Cb -1.17 -3.19 -0.04 0.00 -0.00 0.00 0.00 33.47 29.07 3hov s TRP 79 CO 0.61 -1.06 -0.22 1.03 -0.00 0.00 0.00 176.95 177.30 3hov s ARG 80 N -2.95 1.58 0.00 5.86 0.52 -1.26 -5.14 118.95 117.56 3hov s ARG 80 Ca 0.65 -1.48 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 3hov s ARG 80 Cb -0.22 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.36 3hov s ARG 80 CO 0.26 0.41 0.00 -2.30 0.02 0.00 0.00 175.30 173.69 3hov n PRO 81 N 0.29 0.62 0.00 3.54 -0.02 -1.26 -4.98 135.00 133.19 3hov n PRO 81 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 3hov n PRO 81 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3hov n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hov n PRO 82 N -0.27 0.00 0.00 0.52 -0.04 -1.26 -4.53 135.00 129.42 3hov n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hov n PRO 82 Cb 0.00 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 3hov n PRO 82 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3hov n GLN 83 N 0.00 0.00 0.00 0.54 7.27 -1.26 -4.54 117.38 119.39 3hov n GLN 83 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3hov n GLN 83 Cb 0.00 -3.01 0.00 0.00 2.41 0.00 0.00 30.24 29.64 3hov n GLN 83 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hov n ALA 84 N 0.77 2.35 -0.36 1.69 0.00 -1.26 -4.08 120.51 119.63 3hov n ALA 84 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.78 3hov n ALA 84 Cb 0.00 -1.00 0.61 0.00 0.00 0.00 0.00 19.45 19.06 3hov n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hov h GLY 85 N 4.85 2.07 -6.84 0.00 0.00 -1.97 -0.92 103.07 100.26 3hov h GLY 85 Ca 0.00 -0.14 -0.60 0.00 0.00 0.00 0.00 47.33 46.59 3hov h GLY 85 CO 0.00 -0.72 -0.78 -0.35 0.00 0.00 0.00 176.54 174.69 3hov s ASP 86 N -4.48 3.33 0.26 0.19 3.68 -1.26 -5.09 116.67 113.30 3hov s ASP 86 Ca -0.09 -2.66 -0.12 0.00 2.13 0.00 0.00 52.55 51.81 3hov s ASP 86 Cb 0.33 -0.87 -0.00 0.00 -1.45 0.00 0.00 42.92 40.93 3hov s ASP 86 CO 0.79 -0.25 0.49 -0.13 0.13 0.00 0.00 175.17 176.20 3hov s ARG 87 N 0.36 1.62 0.87 4.34 0.52 -0.35 -5.12 118.95 121.19 3hov s ARG 87 Ca 0.20 -1.31 -0.12 0.00 -0.52 0.00 0.00 55.73 53.98 3hov s ARG 87 Cb -0.20 0.48 0.09 0.00 0.52 0.00 0.00 34.95 35.84 3hov s ARG 87 CO -0.03 -0.68 0.95 0.43 0.02 0.00 0.00 175.30 175.99 3hov n SER 88 N -0.53 -0.10 -2.90 0.23 7.64 -1.26 -5.01 113.62 111.68 3hov n SER 88 Ca -0.02 0.47 0.01 0.00 1.01 0.00 0.00 58.87 60.34 3hov n SER 88 Cb 0.62 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 3hov n SER 88 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3hov s LEU 89 N -4.52 -0.77 0.00 -3.43 0.05 -1.22 -4.92 118.68 103.87 3hov s LEU 89 Ca 0.67 -0.48 0.00 0.00 0.05 0.00 0.00 54.13 54.37 3hov s LEU 89 Cb -0.26 0.99 0.00 0.00 -2.05 0.00 0.00 46.19 44.88 3hov s LEU 89 CO 0.58 -0.08 0.18 0.00 -0.55 0.00 0.00 176.35 176.48 3hov n ALA 90 N 3.76 1.53 0.39 1.48 0.00 -0.65 -3.78 120.51 123.24 3hov n ALA 90 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hov n ALA 90 Cb 0.61 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.06 3hov n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hov n ASP 91 N 0.08 0.00 -1.97 0.00 5.75 -1.26 -4.52 116.55 114.64 3hov n ASP 91 Ca 0.00 -0.38 -0.01 0.00 -0.01 0.00 0.00 54.79 54.39 3hov n ASP 91 Cb 0.05 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.12 3hov n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hov n ASP 92 N -0.51 1.68 -1.48 -1.12 8.00 -1.25 -4.65 116.55 117.22 3hov n ASP 92 Ca 0.00 -1.54 -0.04 0.00 0.71 0.00 0.00 54.79 53.92 3hov n ASP 92 Cb 0.00 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 3hov n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hov n TYR 93 N 2.10 -0.42 -1.64 1.24 4.02 -1.26 -4.90 117.16 116.31 3hov n TYR 93 Ca 0.03 -0.59 0.06 0.00 -0.01 0.00 0.00 57.90 57.40 3hov n TYR 93 Cb 0.19 0.10 0.18 0.00 -0.02 0.00 0.00 39.34 39.79 3hov n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3hov n ASP 94 N -2.37 1.68 0.00 7.72 8.00 -0.07 -4.97 116.55 126.55 3hov n ASP 94 Ca 0.01 -3.62 0.00 0.00 0.71 0.00 0.00 54.79 51.89 3hov n ASP 94 Cb 0.14 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 3hov n ASP 94 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hov n TYR 95 N -0.98 0.00 -3.77 1.24 -0.00 -1.18 -4.88 117.16 107.58 3hov n TYR 95 Ca 0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.82 3hov n TYR 95 Cb 0.73 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.90 3hov n TYR 95 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3hov s VAL 96 N 0.00 0.52 0.47 2.97 1.01 -1.26 -1.28 120.40 122.84 3hov s VAL 96 Ca 0.00 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.82 3hov s VAL 96 Cb 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.57 3hov s VAL 96 CO 0.00 0.06 0.50 -0.04 0.00 0.00 0.00 175.10 175.62 3hov s MET 97 N 1.89 2.49 -0.06 2.72 -1.94 -0.13 -4.90 119.30 119.36 3hov s MET 97 Ca 0.02 -1.59 -0.03 0.00 -1.71 0.00 0.00 55.69 52.37 3hov s MET 97 Cb -0.15 -2.45 0.03 0.00 2.01 0.00 0.00 34.83 34.28 3hov s MET 97 CO -0.07 -0.42 0.15 -0.47 -0.01 0.00 0.00 175.02 174.19 3hov s TYR 98 N -2.55 -0.17 0.00 -0.03 5.04 -1.26 -0.57 117.35 117.82 3hov s TYR 98 Ca 0.50 0.47 0.00 0.00 -2.44 0.00 0.00 57.07 55.60 3hov s TYR 98 Cb -0.05 -0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.21 3hov s TYR 98 CO 0.30 -0.15 0.00 0.41 -1.34 0.00 0.00 175.55 174.77 3hov n GLY 99 N 3.99 3.69 3.11 8.97 0.00 -1.20 -4.44 105.19 119.31 3hov n GLY 99 Ca -0.24 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 3hov n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hov s THR 100 N -1.50 0.57 -0.24 2.61 2.01 0.13 -4.46 115.64 114.76 3hov s THR 100 Ca 0.00 -1.53 -0.14 0.00 0.31 0.00 0.00 61.69 60.33 3hov s THR 100 Cb 0.00 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 3hov s THR 100 CO 0.00 -0.67 0.31 0.00 -0.69 0.00 0.00 174.62 173.57 3hov s ALA 101 N -2.63 3.57 -0.20 7.40 0.00 -1.25 0.24 121.76 128.88 3hov s ALA 101 Ca 0.01 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 3hov s ALA 101 Cb -0.01 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.44 3hov s ALA 101 CO -0.03 -0.41 -0.24 2.48 0.00 0.00 0.00 175.76 177.57 3hov n TYR 102 N 4.74 0.00 -4.68 0.00 0.18 -0.33 -4.82 117.16 112.25 3hov n TYR 102 Ca -0.11 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.42 3hov n TYR 102 Cb 0.51 -0.75 -0.14 0.00 -0.38 0.00 0.00 39.34 38.58 3hov n TYR 102 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3hov s LYS 103 N -2.38 1.38 -0.80 -3.48 2.20 -1.25 -4.99 119.74 110.42 3hov s LYS 103 Ca -0.28 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.50 3hov s LYS 103 Cb 0.10 -1.44 0.21 0.00 -1.51 0.00 0.00 37.83 35.18 3hov s LYS 103 CO 0.39 0.37 0.70 1.19 -0.36 0.00 0.00 175.35 177.65 3hov n PHE 104 N 2.06 3.71 -2.33 4.03 3.01 -1.26 -0.58 117.46 126.10 3hov n PHE 104 Ca -0.17 -4.15 -0.35 0.00 1.01 0.00 0.00 57.45 53.79 3hov n PHE 104 Cb 0.53 -0.88 -0.01 0.00 -0.01 0.00 0.00 39.48 39.12 3hov n PHE 104 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3hov s GLU 105 N -1.61 3.55 -0.66 -1.08 2.12 -0.07 -4.89 118.70 116.06 3hov s GLU 105 Ca 0.28 1.59 -0.03 0.00 0.36 0.00 0.00 54.97 57.17 3hov s GLU 105 Cb -0.03 -2.11 0.17 0.00 0.26 0.00 0.00 34.13 32.42 3hov s GLU 105 CO -0.12 -0.69 0.48 -1.21 -0.54 0.00 0.00 175.26 173.18 3hov s GLU 106 N -3.14 2.66 0.00 4.30 2.02 -1.26 -1.27 118.70 122.00 3hov s GLU 106 Ca 0.70 -2.60 -0.00 0.00 0.02 0.00 0.00 54.97 53.08 3hov s GLU 106 Cb -0.23 -3.77 -0.02 0.00 0.10 0.00 0.00 34.13 30.21 3hov s GLU 106 CO 0.27 -1.19 0.67 0.28 0.02 0.00 0.00 175.26 175.31 3hov n VAL 107 N 3.38 0.50 -0.46 2.63 0.31 0.12 -4.85 118.33 119.96 3hov n VAL 107 Ca 0.09 -0.18 0.06 0.00 -0.01 0.00 0.00 64.34 64.31 3hov n VAL 107 Cb 0.38 -1.27 -0.02 0.00 -0.91 0.00 0.00 33.84 32.03 3hov n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hov n SER 108 N 2.21 -2.69 0.00 4.52 3.41 -1.25 -4.41 113.62 115.40 3hov n SER 108 Ca 0.03 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3hov n SER 108 Cb 0.14 -1.73 0.00 0.00 -0.26 0.00 0.00 64.21 62.35 3hov n SER 108 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hov n LYS 109 N -1.69 0.00 -0.88 4.33 4.81 -1.26 -1.51 118.16 121.95 3hov n LYS 109 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 3hov n LYS 109 Cb 0.55 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.55 3hov n LYS 109 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3hov n ASP 110 N 7.97 -0.75 -4.28 3.14 5.75 -1.26 -5.07 116.55 122.05 3hov n ASP 110 Ca 0.00 -1.75 -0.42 0.00 -0.01 0.00 0.00 54.79 52.61 3hov n ASP 110 Cb 0.00 0.23 -0.08 0.00 -1.03 0.00 0.00 41.12 40.24 3hov n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hov s LEU 111 N 0.00 5.60 0.12 -2.12 1.43 -0.57 -4.61 118.68 118.53 3hov s LEU 111 Ca 0.00 -1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 51.42 3hov s LEU 111 Cb 0.00 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 3hov s LEU 111 CO 0.00 -0.67 0.34 -0.51 0.23 0.00 0.00 176.35 175.74 3hov s ILE 112 N 1.48 5.21 -0.03 -0.59 1.10 -1.10 -0.71 121.20 126.57 3hov s ILE 112 Ca 0.04 -0.02 0.02 0.00 -0.51 0.00 0.00 60.65 60.18 3hov s ILE 112 Cb -0.26 -3.62 0.01 0.00 0.15 0.00 0.00 42.46 38.74 3hov s ILE 112 CO 0.02 0.08 -0.07 0.00 -2.11 0.00 0.00 174.94 172.87 3hov s ALA 113 N -1.60 0.75 0.05 1.50 0.00 -0.40 -2.69 121.76 119.37 3hov s ALA 113 Ca 0.39 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.19 3hov s ALA 113 Cb -0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3hov s ALA 113 CO 0.24 0.09 -0.16 0.14 0.00 0.00 0.00 175.76 176.07 3hov s VAL 114 N 0.40 2.92 -0.12 0.00 -7.23 -0.88 -0.89 120.40 114.60 3hov s VAL 114 Ca -0.06 -1.17 -0.01 0.00 -1.81 0.00 0.00 61.98 58.94 3hov s VAL 114 Cb -0.10 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 3hov s VAL 114 CO 0.00 0.32 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.70 3hov s TYR 115 N -0.96 2.88 -0.02 2.82 1.51 0.25 -1.61 117.35 122.22 3hov s TYR 115 Ca 0.15 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 3hov s TYR 115 Cb -0.11 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 3hov s TYR 115 CO 0.06 -0.03 -0.16 0.71 -1.11 0.00 0.00 175.55 175.02 3hov s TYR 116 N 0.05 1.49 -0.12 2.71 1.51 -0.10 -1.19 117.35 121.70 3hov s TYR 116 Ca -0.03 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 3hov s TYR 116 Cb -0.14 -0.96 0.01 0.00 -0.11 0.00 0.00 41.96 40.76 3hov s TYR 116 CO 0.04 -0.04 -0.19 0.45 -1.11 0.00 0.00 175.55 174.69 3hov s SER 117 N -0.34 2.81 -0.94 2.29 0.15 0.14 0.07 113.70 117.88 3hov s SER 117 Ca 0.05 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 56.15 3hov s SER 117 Cb -0.07 -1.29 0.24 0.00 -1.71 0.00 0.00 66.02 63.20 3hov s SER 117 CO -0.00 0.06 0.92 0.49 1.20 0.00 0.00 173.24 175.91 3hov n PHE 118 N 4.04 4.19 -4.14 3.44 3.01 0.48 0.18 117.46 128.66 3hov n PHE 118 Ca -0.20 -3.93 -0.31 0.00 1.01 0.00 0.00 57.45 54.02 3hov n PHE 118 Cb 0.52 -1.22 -0.04 0.00 -0.01 0.00 0.00 39.48 38.73 3hov n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hov n GLY 119 N 2.15 -0.29 0.00 1.37 0.00 -1.26 -2.10 105.19 105.07 3hov n GLY 119 Ca 0.23 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3hov n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hov n GLY 120 N -1.85 3.50 3.66 -0.02 0.00 -1.26 -5.05 105.19 104.17 3hov n GLY 120 Ca -0.16 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 3hov n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hov s LEU 121 N 0.00 4.21 0.67 0.99 1.43 -0.89 -5.01 118.68 120.08 3hov s LEU 121 Ca 0.00 1.80 0.04 0.00 -1.03 0.00 0.00 54.13 54.94 3hov s LEU 121 Cb 0.00 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.80 3hov s LEU 121 CO 0.00 -0.78 0.92 -0.76 0.23 0.00 0.00 176.35 175.97 3hov s LEU 122 N 3.47 3.01 -0.23 1.79 1.43 -1.26 0.18 118.68 127.07 3hov s LEU 122 Ca 0.58 -0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 52.81 3hov s LEU 122 Cb -0.24 -1.77 0.13 0.00 0.03 0.00 0.00 46.19 44.34 3hov s LEU 122 CO 0.18 -1.69 1.07 -0.32 0.23 0.00 0.00 176.35 175.82 3hov s MET 123 N -4.96 0.48 -0.03 1.70 1.75 0.11 -2.07 119.30 116.28 3hov s MET 123 Ca 0.65 0.33 0.02 0.00 -1.25 0.00 0.00 55.69 55.44 3hov s MET 123 Cb -0.05 0.23 0.01 0.00 2.84 0.00 0.00 34.83 37.86 3hov s MET 123 CO 0.42 -0.11 -0.07 0.50 -0.65 0.00 0.00 175.02 175.12 3hov s ARG 124 N -0.41 0.93 0.18 4.11 3.52 0.56 -0.92 118.95 126.91 3hov s ARG 124 Ca 0.02 -0.23 0.09 0.00 -0.13 0.00 0.00 55.73 55.47 3hov s ARG 124 Cb -0.03 -0.87 -0.04 0.00 -1.56 0.00 0.00 34.95 32.44 3hov s ARG 124 CO -0.04 0.04 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.14 3hov s LEU 125 N 0.46 2.46 0.22 -0.88 2.96 -0.63 -0.84 118.68 122.44 3hov s LEU 125 Ca -0.07 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 3hov s LEU 125 Cb -0.11 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 3hov s LEU 125 CO 0.01 -0.05 0.16 -1.61 -1.32 0.00 0.00 176.35 173.53 3hov s GLU 126 N -2.96 1.29 0.00 1.98 2.02 -1.01 -2.08 118.70 117.93 3hov s GLU 126 Ca 0.18 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.48 3hov s GLU 126 Cb -0.05 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.46 3hov s GLU 126 CO 0.07 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.33 3hov n GLY 127 N -0.33 0.48 0.00 -1.39 0.00 -1.10 -3.98 105.19 98.88 3hov n GLY 127 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3hov n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hov n ASN 128 N 0.00 0.00 0.00 1.61 4.05 -1.26 -2.73 115.26 116.93 3hov n ASN 128 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3hov n ASN 128 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3hov n ASN 128 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hov n TYR 129 N 0.00 0.00 -0.88 1.20 0.18 -1.26 -4.77 117.16 111.63 3hov n TYR 129 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 3hov n TYR 129 Cb 0.00 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 38.91 3hov n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3hov n ARG 130 N -0.29 1.67 0.20 -3.48 3.00 -1.26 -4.41 116.66 112.09 3hov n ARG 130 Ca 0.00 -0.99 0.04 0.00 -0.01 0.00 0.00 57.85 56.89 3hov n ARG 130 Cb 0.00 -1.58 0.43 0.00 0.00 0.00 0.00 32.46 31.30 3hov n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3hov h ASN 131 N 1.95 0.00 0.00 0.55 2.35 -1.95 -2.54 115.58 115.94 3hov h ASN 131 Ca 0.18 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3hov h ASN 131 Cb 1.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.45 3hov h ASN 131 CO 0.37 0.29 -0.10 0.18 -1.65 0.00 0.00 177.43 176.53 3hov n LEU 132 N -4.13 1.91 0.00 1.61 4.77 -1.26 -4.91 117.00 114.99 3hov n LEU 132 Ca -0.02 -2.70 0.00 0.00 -0.03 0.00 0.00 56.01 53.26 3hov n LEU 132 Cb 0.35 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hov n LEU 132 CO 0.37 0.63 0.00 0.59 -1.33 0.00 0.00 177.39 177.65 3hov n ASN 133 N -1.16 0.00 -4.18 -1.43 3.02 -1.02 -4.92 115.26 105.57 3hov n ASN 133 Ca 0.13 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.42 3hov n ASN 133 Cb 0.65 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.70 3hov n ASN 133 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hov n ASN 134 N -1.99 1.26 -4.70 6.41 3.02 -0.99 -4.89 115.26 113.38 3hov n ASN 134 Ca 0.00 -2.50 -0.33 0.00 -0.03 0.00 0.00 54.58 51.72 3hov n ASN 134 Cb 0.00 -1.29 0.13 0.00 -0.61 0.00 0.00 39.78 38.01 3hov n ASN 134 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hov s LEU 135 N 10.90 3.11 0.00 3.41 1.43 -1.26 -4.89 118.68 131.38 3hov s LEU 135 Ca 0.77 2.30 0.28 0.00 -1.03 0.00 0.00 54.13 56.45 3hov s LEU 135 Cb 0.03 -4.58 1.67 0.00 0.03 0.00 0.00 46.19 43.33 3hov s LEU 135 CO 0.25 -2.64 2.07 0.29 0.23 0.00 0.00 176.35 176.55 3hov n LYS 136 N -3.37 1.02 -0.75 1.70 4.01 -1.26 -4.90 118.16 114.60 3hov n LYS 136 Ca 0.13 -0.03 -0.32 0.00 -0.51 0.00 0.00 58.31 57.58 3hov n LYS 136 Cb 0.51 -1.44 0.15 0.00 -0.51 0.00 0.00 35.03 33.74 3hov n LYS 136 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hov n GLN 137 N -0.91 -0.35 -0.18 1.97 10.64 -1.26 -4.63 117.38 122.65 3hov n GLN 137 Ca 0.21 -0.04 -0.10 0.00 -1.83 0.00 0.00 57.00 55.24 3hov n GLN 137 Cb 0.10 -2.21 0.01 0.00 -0.86 0.00 0.00 30.24 27.29 3hov n GLN 137 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 3hov h GLU 138 N -1.70 0.93 -6.26 2.61 4.22 -1.90 -3.33 114.58 109.14 3hov h GLU 138 Ca -0.43 -0.30 -0.52 0.00 0.08 0.00 0.00 59.36 58.19 3hov h GLU 138 Cb 1.28 -0.08 0.24 0.00 0.50 0.00 0.00 28.75 30.68 3hov h GLU 138 CO 0.39 0.95 -1.69 -1.71 -2.18 0.00 0.00 179.01 174.77 3hov n ASN 139 N -4.28 -3.96 0.00 1.04 2.85 -1.26 -4.06 115.26 105.59 3hov n ASN 139 Ca 0.01 0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 3hov n ASN 139 Cb 0.33 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 40.53 3hov n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hov n ALA 140 N -3.24 0.00 -2.59 5.20 0.00 -1.25 -4.66 120.51 113.96 3hov n ALA 140 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3hov n ALA 140 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 3hov n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hov s TYR 141 N 0.00 3.62 -0.05 0.00 1.51 -0.83 -3.24 117.35 118.37 3hov s TYR 141 Ca 0.00 1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 57.16 3hov s TYR 141 Cb 0.00 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.15 3hov s TYR 141 CO 0.00 0.24 0.21 -1.17 -1.11 0.00 0.00 175.55 173.72 3hov s LEU 142 N 0.25 4.39 0.02 -1.29 2.96 0.27 -4.02 118.68 121.26 3hov s LEU 142 Ca 0.32 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.76 3hov s LEU 142 Cb -0.18 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.08 3hov s LEU 142 CO 0.16 0.32 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.69 3hov s LEU 143 N -1.46 2.16 -0.04 -0.68 1.02 -1.24 -0.95 118.68 117.49 3hov s LEU 143 Ca 0.22 -0.38 -0.01 0.00 0.02 0.00 0.00 54.13 53.98 3hov s LEU 143 Cb -0.13 -0.21 0.03 0.00 0.02 0.00 0.00 46.19 45.91 3hov s LEU 143 CO 0.12 -0.10 0.09 -0.63 0.02 0.00 0.00 176.35 175.84 3hov s ILE 144 N -0.91 -0.06 0.08 -0.59 1.01 -0.41 -2.40 121.20 117.93 3hov s ILE 144 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 60.65 60.85 3hov s ILE 144 Cb -0.07 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.21 3hov s ILE 144 CO 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 174.94 174.88 3hov s ARG 145 N 1.14 0.87 0.00 2.79 1.70 -1.11 -0.89 118.95 123.45 3hov s ARG 145 Ca -0.09 -1.01 0.00 0.00 -0.47 0.00 0.00 55.73 54.16 3hov s ARG 145 Cb -0.12 -0.89 0.00 0.00 -0.57 0.00 0.00 34.95 33.37 3hov s ARG 145 CO -0.04 0.19 0.00 -2.13 -1.08 0.00 0.00 175.30 172.24