#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hoy n ASN 3 N 0.00 0.00 -4.43 4.04 3.02 -1.26 -5.04 115.26 111.59 3hoy n ASN 3 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.34 3hoy n ASN 3 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 3hoy n ASN 3 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hoy s THR 4 N -0.55 1.11 0.00 3.41 2.01 -1.26 -3.97 115.64 116.39 3hoy s THR 4 Ca 0.00 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.00 3hoy s THR 4 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.74 3hoy s THR 4 CO 0.00 -0.01 0.00 0.18 -0.69 0.00 0.00 174.62 174.10 3hoy n LEU 5 N -0.65 0.00 -3.59 4.42 4.77 -1.26 -4.81 117.00 115.88 3hoy n LEU 5 Ca -0.02 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 3hoy n LEU 5 Cb 0.66 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 3hoy n LEU 5 CO 0.42 0.00 0.71 0.12 -1.33 0.00 0.00 177.39 177.30 3hoy s PHE 6 N -0.62 -0.45 -0.16 -1.77 5.36 -1.26 -4.15 117.98 114.94 3hoy s PHE 6 Ca 0.00 0.87 -0.21 0.00 -0.96 0.00 0.00 56.93 56.64 3hoy s PHE 6 Cb 0.00 0.42 0.05 0.00 -0.34 0.00 0.00 43.02 43.15 3hoy s PHE 6 CO 0.00 -0.35 0.55 0.34 -1.46 0.00 0.00 175.22 174.29 3hoy s ASP 7 N -0.74 -0.54 0.00 6.13 -1.08 -1.26 -1.49 116.67 117.69 3hoy s ASP 7 Ca -0.02 0.92 0.00 0.00 -0.52 0.00 0.00 52.55 52.93 3hoy s ASP 7 Cb -0.02 0.93 0.00 0.00 -1.46 0.00 0.00 42.92 42.37 3hoy s ASP 7 CO 0.01 -0.30 0.00 -0.67 0.52 0.00 0.00 175.17 174.73 3hoy n ASP 8 N 2.27 0.00 -3.82 -0.34 4.64 -1.14 -5.02 116.55 113.13 3hoy n ASP 8 Ca -0.16 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.10 3hoy n ASP 8 Cb 0.56 0.00 -0.16 0.00 -1.04 0.00 0.00 41.12 40.49 3hoy n ASP 8 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3hoy s ILE 9 N -2.52 0.08 0.30 5.18 1.01 -1.26 -2.78 121.20 121.21 3hoy s ILE 9 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 60.65 60.84 3hoy s ILE 9 Cb 0.00 -0.17 -0.06 0.00 0.01 0.00 0.00 42.46 42.24 3hoy s ILE 9 CO 0.00 0.10 -0.11 -0.36 0.00 0.00 0.00 174.94 174.57 3hoy s PHE 10 N 0.82 2.17 -0.16 3.97 0.40 0.16 -0.65 117.98 124.69 3hoy s PHE 10 Ca -0.08 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 3hoy s PHE 10 Cb -0.11 -1.15 0.02 0.00 0.51 0.00 0.00 43.02 42.30 3hoy s PHE 10 CO -0.02 0.51 -0.15 -1.14 0.70 0.00 0.00 175.22 175.12 3hoy s GLN 11 N -3.62 2.37 -0.42 0.44 0.74 0.19 -1.72 119.66 117.65 3hoy s GLN 11 Ca 0.30 -0.64 -0.27 0.00 0.05 0.00 0.00 55.36 54.80 3hoy s GLN 11 Cb 0.01 -2.22 -0.05 0.00 1.10 0.00 0.00 33.01 31.85 3hoy s GLN 11 CO 0.14 -0.26 2.15 0.08 -0.55 0.00 0.00 175.29 176.85 3hoy s VAL 12 N 1.44 3.16 0.53 1.34 1.01 -1.22 -1.68 120.40 124.98 3hoy s VAL 12 Ca 0.04 0.13 0.21 0.00 0.00 0.00 0.00 61.98 62.36 3hoy s VAL 12 Cb -0.13 -3.31 0.29 0.00 0.00 0.00 0.00 36.38 33.23 3hoy s VAL 12 CO -0.11 -0.26 2.16 0.77 0.00 0.00 0.00 175.10 177.67 3hoy h SER 13 N 16.38 0.00 0.00 3.32 4.64 -1.07 1.11 113.55 137.92 3hoy h SER 13 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3hoy h SER 13 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3hoy h SER 13 CO 1.10 0.03 0.00 1.21 -0.87 0.00 0.00 176.83 178.29 3hoy n GLU 14 N -4.25 0.00 -4.12 4.77 2.13 -0.74 -4.77 120.64 113.66 3hoy n GLU 14 Ca -0.03 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.49 3hoy n GLU 14 Cb 0.11 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.75 3hoy n GLU 14 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3hoy s VAL 15 N -1.56 4.10 -0.19 6.31 1.01 -1.26 -1.20 120.40 127.61 3hoy s VAL 15 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.84 3hoy s VAL 15 Cb 0.00 -2.98 0.06 0.00 0.00 0.00 0.00 36.38 33.46 3hoy s VAL 15 CO 0.00 0.09 0.49 -0.62 0.00 0.00 0.00 175.10 175.06 3hoy s ASP 16 N -2.42 -0.58 -0.56 3.32 2.15 -0.09 -4.99 116.67 113.51 3hoy s ASP 16 Ca 0.27 1.03 0.05 0.00 0.43 0.00 0.00 52.55 54.33 3hoy s ASP 16 Cb -0.11 0.98 0.18 0.00 -0.30 0.00 0.00 42.92 43.67 3hoy s ASP 16 CO 0.19 -0.19 0.44 -0.81 -0.17 0.00 0.00 175.17 174.64 3hoy n PRO 17 N 3.49 1.08 -2.20 4.34 -0.04 -1.26 -0.13 135.00 140.29 3hoy n PRO 17 Ca -0.18 -3.85 -0.32 0.00 -0.04 0.00 0.00 63.50 59.11 3hoy n PRO 17 Cb 0.56 -1.96 -0.05 0.00 -0.04 0.00 0.00 33.50 32.02 3hoy n PRO 17 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3hoy s GLY 18 N -0.83 0.54 -0.58 0.55 0.00 -1.26 -3.54 107.32 102.20 3hoy s GLY 18 Ca 0.30 -2.27 -0.02 0.00 0.00 0.00 0.00 44.72 42.72 3hoy s GLY 18 CO -0.17 3.33 0.50 0.54 0.00 0.00 0.00 173.10 177.30 3hoy n ARG 19 N 8.38 -1.91 -3.12 2.90 5.12 -1.26 -5.01 116.66 121.76 3hoy n ARG 19 Ca 0.45 0.46 -0.19 0.00 -1.93 0.00 0.00 57.85 56.64 3hoy n ARG 19 Cb 0.47 -3.94 -0.03 0.00 -1.16 0.00 0.00 32.46 27.80 3hoy n ARG 19 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3hoy n TYR 20 N -2.49 -0.49 0.03 -1.55 0.53 -1.23 -5.00 117.16 106.97 3hoy n TYR 20 Ca -0.07 -3.46 0.11 0.00 -1.02 0.00 0.00 57.90 53.45 3hoy n TYR 20 Cb 0.57 -0.10 0.17 0.00 -1.03 0.00 0.00 39.34 38.95 3hoy n TYR 20 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 3hoy n ASN 21 N 0.75 0.00 0.00 7.72 3.02 -1.26 -0.16 115.26 125.33 3hoy n ASN 21 Ca 0.21 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.23 3hoy n ASN 21 Cb 0.62 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3hoy n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hoy n LYS 22 N -2.36 0.67 -3.84 3.52 5.02 -1.26 -4.99 118.16 114.92 3hoy n LYS 22 Ca 0.09 -0.67 -0.12 0.00 -2.02 0.00 0.00 58.31 55.59 3hoy n LYS 22 Cb 0.94 -0.69 -0.13 0.00 -0.02 0.00 0.00 35.03 35.13 3hoy n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hoy s VAL 23 N -0.26 0.01 -0.01 -0.18 1.01 0.78 -2.94 120.40 118.79 3hoy s VAL 23 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3hoy s VAL 23 Cb 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 36.38 36.22 3hoy s VAL 23 CO 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 175.10 175.00 3hoy s ARG 25 N -0.05 4.24 0.29 0.00 3.52 0.82 0.21 118.95 127.98 3hoy s ARG 25 Ca 0.01 0.11 0.11 0.00 -0.13 0.00 0.00 55.73 55.83 3hoy s ARG 25 Cb -0.04 -3.45 -0.05 0.00 -1.56 0.00 0.00 34.95 29.85 3hoy s ARG 25 CO -0.00 0.19 -0.17 -1.50 -0.81 0.00 0.00 175.30 173.00 3hoy s ILE 26 N 0.63 2.35 -0.07 4.11 2.07 0.36 -0.91 121.20 129.74 3hoy s ILE 26 Ca 0.17 -2.35 -0.03 0.00 -1.41 0.00 0.00 60.65 57.03 3hoy s ILE 26 Cb -0.13 -2.35 0.04 0.00 0.13 0.00 0.00 42.46 40.15 3hoy s ILE 26 CO 0.05 -0.38 0.14 -1.61 -1.91 0.00 0.00 174.94 171.23 3hoy s GLU 27 N -3.55 0.05 0.22 3.50 2.02 -0.34 -0.87 118.70 119.73 3hoy s GLU 27 Ca 0.30 0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.78 3hoy s GLU 27 Cb -0.03 -0.24 -0.05 0.00 0.10 0.00 0.00 34.13 33.91 3hoy s GLU 27 CO 0.15 -0.24 -0.00 0.00 0.02 0.00 0.00 175.26 175.18 3hoy s ALA 28 N 1.75 1.76 0.10 5.21 0.00 -1.09 -0.44 121.76 129.05 3hoy s ALA 28 Ca -0.03 -1.75 0.07 0.00 0.00 0.00 0.00 51.96 50.26 3hoy s ALA 28 Cb -0.12 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 3hoy s ALA 28 CO -0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 175.76 175.35 3hoy s ALA 29 N -3.44 2.96 0.50 0.00 0.00 -0.67 -2.11 121.76 119.00 3hoy s ALA 29 Ca 0.28 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 3hoy s ALA 29 Cb 0.06 -0.90 -0.07 0.00 0.00 0.00 0.00 23.12 22.20 3hoy s ALA 29 CO 0.08 0.64 1.11 0.45 0.00 0.00 0.00 175.76 178.04 3hoy s SER 30 N -2.21 6.06 -0.79 0.00 0.15 -0.83 -0.63 113.70 115.44 3hoy s SER 30 Ca 0.21 2.12 0.01 0.00 0.70 0.00 0.00 55.95 59.00 3hoy s SER 30 Cb -0.11 -2.58 0.35 0.00 -1.71 0.00 0.00 66.02 61.97 3hoy s SER 30 CO 0.14 -0.98 1.59 0.41 1.20 0.00 0.00 173.24 175.59 3hoy n THR 31 N -0.96 4.18 0.00 6.45 -1.04 0.17 -4.74 114.28 118.35 3hoy n THR 31 Ca 0.10 -5.26 0.00 0.00 -2.04 0.00 0.00 64.05 56.85 3hoy n THR 31 Cb 0.51 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.63 3hoy n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3hoy n THR 32 N -0.30 0.00 -1.61 12.58 -1.04 -1.26 -4.88 114.28 117.77 3hoy n THR 32 Ca 0.44 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 62.04 3hoy n THR 32 Cb 0.34 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.87 3hoy n THR 32 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3hoy n GLN 33 N 0.00 1.31 0.04 -2.82 -0.06 -1.26 -4.86 117.38 109.73 3hoy n GLN 33 Ca 0.00 0.47 0.11 0.00 -2.00 0.00 0.00 57.00 55.59 3hoy n GLN 33 Cb 0.00 -2.03 0.05 0.00 -4.06 0.00 0.00 30.24 24.20 3hoy n GLN 33 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 3hoy n ASP 34 N 0.47 0.64 -0.34 1.69 8.00 -1.26 -3.91 116.55 121.84 3hoy n ASP 34 Ca 0.10 -0.04 0.12 0.00 0.71 0.00 0.00 54.79 55.68 3hoy n ASP 34 Cb 0.39 0.63 0.18 0.00 -0.02 0.00 0.00 41.12 42.31 3hoy n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hoy n GLN 35 N -2.11 0.94 -2.88 -1.24 6.02 -1.26 -4.87 117.38 111.98 3hoy n GLN 35 Ca 0.02 -0.69 -0.43 0.00 -0.01 0.00 0.00 57.00 55.89 3hoy n GLN 35 Cb 0.46 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 30.19 3hoy n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hoy s LYS 37 N 3.79 2.62 -0.13 0.00 1.02 -1.16 -1.97 119.74 123.92 3hoy s LYS 37 Ca 0.27 -1.43 -0.12 0.00 0.02 0.00 0.00 55.97 54.71 3hoy s LYS 37 Cb -0.14 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.76 3hoy s LYS 37 CO 0.17 -0.10 0.35 -1.17 -0.92 0.00 0.00 175.35 173.68 3hoy s LEU 38 N -4.10 0.68 -0.06 3.17 2.96 -0.90 -2.91 118.68 117.53 3hoy s LEU 38 Ca 0.46 0.68 0.02 0.00 -0.22 0.00 0.00 54.13 55.07 3hoy s LEU 38 Cb -0.05 1.19 0.02 0.00 0.50 0.00 0.00 46.19 47.86 3hoy s LEU 38 CO 0.28 -0.13 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.19 3hoy s THR 39 N 0.13 0.93 -0.23 3.68 2.01 -0.29 -2.69 115.64 119.18 3hoy s THR 39 Ca -0.01 -0.35 -0.19 0.00 0.31 0.00 0.00 61.69 61.45 3hoy s THR 39 Cb -0.03 -0.88 0.06 0.00 0.01 0.00 0.00 72.50 71.67 3hoy s THR 39 CO 0.01 0.31 0.61 -0.22 -0.69 0.00 0.00 174.62 174.64 3hoy s LEU 40 N 0.77 -0.44 -0.10 4.42 2.96 -0.05 -0.04 118.68 126.19 3hoy s LEU 40 Ca -0.13 1.26 -0.22 0.00 -0.22 0.00 0.00 54.13 54.82 3hoy s LEU 40 Cb -0.15 2.09 -0.04 0.00 0.50 0.00 0.00 46.19 48.60 3hoy s LEU 40 CO 0.02 -0.22 0.63 -1.81 -1.32 0.00 0.00 176.35 173.65 3hoy s ASP 41 N 0.66 6.86 -0.04 3.68 1.01 0.04 0.13 116.67 129.01 3hoy s ASP 41 Ca -0.03 1.03 0.03 0.00 0.71 0.00 0.00 52.55 54.29 3hoy s ASP 41 Cb -0.05 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.52 3hoy s ASP 41 CO -0.04 -0.11 -0.13 -0.63 0.21 0.00 0.00 175.17 174.47 3hoy s ILE 42 N 0.93 1.10 -0.75 0.77 1.09 0.57 -4.73 121.20 120.17 3hoy s ILE 42 Ca 0.33 -0.51 -0.26 0.00 -1.10 0.00 0.00 60.65 59.11 3hoy s ILE 42 Cb -0.17 -0.97 -0.01 0.00 -1.06 0.00 0.00 42.46 40.26 3hoy s ILE 42 CO 0.15 0.33 1.72 0.21 -0.10 0.00 0.00 174.94 177.25 3hoy s ASN 43 N 0.25 5.55 -0.18 3.58 3.84 -1.26 -0.42 114.94 126.29 3hoy s ASN 43 Ca -0.06 -0.26 -0.01 0.00 0.21 0.00 0.00 52.86 52.74 3hoy s ASN 43 Cb -0.11 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.14 3hoy s ASN 43 CO 0.02 -2.27 2.11 0.52 -2.79 0.00 0.00 177.10 174.69 3hoy n VAL 44 N 7.18 2.50 0.00 -5.21 0.31 -1.15 -2.44 118.33 119.51 3hoy n VAL 44 Ca 0.23 -1.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.32 3hoy n VAL 44 Cb 0.50 -1.44 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 3hoy n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hoy n GLU 45 N 0.93 0.07 0.07 5.55 2.13 -1.26 -4.35 120.64 123.78 3hoy n GLU 45 Ca 0.19 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.14 3hoy n GLU 45 Cb 0.56 -0.88 0.24 0.00 0.27 0.00 0.00 31.44 31.63 3hoy n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3hoy n LEU 46 N -2.25 0.73 -3.04 4.31 4.77 -1.14 -4.68 117.00 115.70 3hoy n LEU 46 Ca 0.00 0.33 0.02 0.00 -0.03 0.00 0.00 56.01 56.33 3hoy n LEU 46 Cb 0.38 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3hoy n LEU 46 CO 0.00 -0.09 0.27 0.12 -1.33 0.00 0.00 177.39 176.36 3hoy s PHE 47 N -3.14 -1.14 0.86 -1.77 5.36 -1.02 -5.00 117.98 112.12 3hoy s PHE 47 Ca 0.08 0.30 -0.10 0.00 -0.96 0.00 0.00 56.93 56.24 3hoy s PHE 47 Cb 0.13 0.21 0.11 0.00 -0.34 0.00 0.00 43.02 43.13 3hoy s PHE 47 CO 0.68 -0.75 1.12 -2.14 -1.46 0.00 0.00 175.22 172.68 3hoy s PRO 48 N 2.15 1.51 -0.27 10.12 0.02 -1.26 -4.23 135.00 143.04 3hoy s PRO 48 Ca 0.16 1.36 -0.02 0.00 0.02 0.00 0.00 61.00 62.52 3hoy s PRO 48 Cb -0.02 -1.80 0.16 0.00 0.02 0.00 0.00 34.50 32.86 3hoy s PRO 48 CO -0.14 -2.23 0.47 0.08 -0.33 0.00 0.00 177.00 174.86 3hoy s VAL 49 N -2.76 -0.77 0.43 3.83 1.01 -1.26 -5.04 120.40 115.83 3hoy s VAL 49 Ca 0.64 -0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 3hoy s VAL 49 Cb -0.20 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3hoy s VAL 49 CO 0.57 -0.07 0.73 0.00 0.00 0.00 0.00 175.10 176.33 3hoy s ALA 50 N 2.68 3.46 -0.12 5.51 0.00 -1.26 -4.85 121.76 127.19 3hoy s ALA 50 Ca 0.16 -0.53 -0.35 0.00 0.00 0.00 0.00 51.96 51.24 3hoy s ALA 50 Cb -0.15 -2.51 -0.12 0.00 0.00 0.00 0.00 23.12 20.34 3hoy s ALA 50 CO -0.18 -0.20 1.85 0.00 0.00 0.00 0.00 175.76 177.23 3hoy n ALA 51 N -1.93 0.69 -1.96 0.00 0.00 -1.26 -3.97 120.51 112.08 3hoy n ALA 51 Ca -0.00 0.30 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 3hoy n ALA 51 Cb 0.55 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3hoy n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hoy n GLN 52 N 6.35 -0.84 -4.47 0.00 6.02 0.38 -4.93 117.38 119.89 3hoy n GLN 52 Ca 0.23 1.07 -0.23 0.00 -0.01 0.00 0.00 57.00 58.07 3hoy n GLN 52 Cb 0.26 -2.90 -0.11 0.00 1.02 0.00 0.00 30.24 28.52 3hoy n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hoy s ASP 53 N -1.48 2.67 -0.95 1.08 1.11 -1.25 -4.76 116.67 113.09 3hoy s ASP 53 Ca 0.08 -1.35 -0.14 0.00 0.18 0.00 0.00 52.55 51.32 3hoy s ASP 53 Cb -0.02 -0.15 0.20 0.00 1.07 0.00 0.00 42.92 44.02 3hoy s ASP 53 CO 0.26 -0.54 0.99 -0.94 1.18 0.00 0.00 175.17 176.12 3hoy s SER 54 N -3.52 6.87 -0.11 0.27 1.04 -1.26 -3.43 113.70 113.57 3hoy s SER 54 Ca 0.35 -2.74 -0.06 0.00 0.48 0.00 0.00 55.95 53.98 3hoy s SER 54 Cb 0.08 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.89 3hoy s SER 54 CO 0.15 -0.65 0.10 -0.76 0.98 0.00 0.00 173.24 173.06 3hoy s LEU 55 N 0.64 4.16 -0.85 2.42 1.43 -0.70 -4.55 118.68 121.23 3hoy s LEU 55 Ca 0.27 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 3hoy s LEU 55 Cb -0.08 -2.00 0.21 0.00 0.03 0.00 0.00 46.19 44.35 3hoy s LEU 55 CO -0.08 0.40 0.73 -0.89 0.23 0.00 0.00 176.35 176.74 3hoy s THR 56 N -0.99 4.48 -0.20 5.49 2.01 -1.18 -0.66 115.64 124.59 3hoy s THR 56 Ca 0.15 -3.50 -0.29 0.00 0.31 0.00 0.00 61.69 58.35 3hoy s THR 56 Cb -0.12 -3.79 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3hoy s THR 56 CO 0.04 -1.04 1.46 -0.69 -0.69 0.00 0.00 174.62 173.69 3hoy s VAL 57 N -0.92 3.93 0.03 3.82 1.01 -1.12 -3.98 120.40 123.17 3hoy s VAL 57 Ca 0.25 1.08 0.08 0.00 0.00 0.00 0.00 61.98 63.39 3hoy s VAL 57 Cb -0.11 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3hoy s VAL 57 CO -0.10 -0.26 -0.23 -0.89 0.00 0.00 0.00 175.10 173.63 3hoy s THR 58 N 4.39 1.81 0.00 3.92 2.01 -0.61 -2.90 115.64 124.27 3hoy s THR 58 Ca 0.64 -1.20 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3hoy s THR 58 Cb -0.23 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.72 3hoy s THR 58 CO 0.24 0.31 0.00 -0.38 -0.69 0.00 0.00 174.62 174.10 3hoy n ILE 59 N 1.98 0.00 0.00 1.82 5.41 -0.55 -0.46 119.36 127.55 3hoy n ILE 59 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 3hoy n ILE 59 Cb 0.53 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.46 3hoy n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hoy n ALA 60 N -3.00 0.00 -3.51 -1.39 0.00 -1.25 -4.63 120.51 106.72 3hoy n ALA 60 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3hoy n ALA 60 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3hoy n ALA 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hoy s SER 61 N -2.87 3.26 0.00 0.00 1.04 -1.25 -0.42 113.70 113.45 3hoy s SER 61 Ca 0.00 -1.83 0.00 0.00 0.48 0.00 0.00 55.95 54.60 3hoy s SER 61 Cb 0.00 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.70 3hoy s SER 61 CO 0.00 -0.36 0.00 -0.24 0.98 0.00 0.00 173.24 173.62 3hoy n SER 62 N 4.53 0.00 -2.39 7.02 2.88 -1.26 -4.56 113.62 119.85 3hoy n SER 62 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 3hoy n SER 62 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 3hoy n SER 62 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3hoy n LEU 63 N 0.00 0.00 0.00 2.46 4.77 -1.26 -4.98 117.00 117.99 3hoy n LEU 63 Ca 0.00 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3hoy n LEU 63 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hoy n LEU 63 CO 0.00 -0.29 0.00 0.41 -1.33 0.00 0.00 177.39 176.18 3hoy n THR 76 N 1.52 0.00 -1.42 -5.08 -1.04 -1.26 -4.36 114.28 102.64 3hoy n THR 76 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.14 3hoy n THR 76 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 3hoy n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hoy n ARG 77 N 0.00 -3.24 -0.64 -2.82 1.74 -1.26 -4.78 116.66 105.66 3hoy n ARG 77 Ca 0.00 2.63 -0.24 0.00 -0.77 0.00 0.00 57.85 59.47 3hoy n ARG 77 Cb 0.02 -3.70 -0.02 0.00 -1.02 0.00 0.00 32.46 27.73 3hoy n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hoy n SER 78 N -3.98 -0.28 -4.72 0.55 2.88 -1.26 -4.86 113.62 101.94 3hoy n SER 78 Ca -0.07 0.51 -0.40 0.00 -1.33 0.00 0.00 58.87 57.57 3hoy n SER 78 Cb 0.61 -0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 63.61 3hoy n SER 78 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3hoy s TRP 79 N -0.22 3.62 -0.10 0.66 -0.00 -1.26 -5.04 118.94 116.59 3hoy s TRP 79 Ca 0.34 1.37 -0.03 0.00 -0.00 0.00 0.00 56.10 57.78 3hoy s TRP 79 Cb -0.48 -2.86 -0.04 0.00 -0.00 0.00 0.00 33.47 30.09 3hoy s TRP 79 CO 0.25 0.10 0.04 1.03 -0.00 0.00 0.00 176.95 178.37 3hoy s ARG 80 N 0.68 3.15 0.00 5.86 0.52 -1.26 -5.11 118.95 122.79 3hoy s ARG 80 Ca 0.40 -0.33 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 3hoy s ARG 80 Cb -0.19 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.37 3hoy s ARG 80 CO 0.21 0.70 0.00 -2.30 0.02 0.00 0.00 175.30 173.93 3hoy n PRO 81 N 2.16 2.96 0.00 3.54 -0.02 -1.26 -4.91 135.00 137.46 3hoy n PRO 81 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3hoy n PRO 81 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3hoy n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hoy n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.59 135.00 129.63 3hoy n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hoy n PRO 82 Cb 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.01 3hoy n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hoy n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.38 117.38 118.30 3hoy n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3hoy n GLN 83 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3hoy n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hoy n ALA 84 N 0.00 1.27 -0.22 -1.58 0.00 -1.26 -3.55 120.51 115.17 3hoy n ALA 84 Ca 0.00 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.72 3hoy n ALA 84 Cb 0.00 -1.00 0.68 0.00 0.00 0.00 0.00 19.45 19.13 3hoy n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3hoy h GLY 85 N 1.62 0.22 -6.38 0.00 0.00 -1.96 -2.76 103.07 93.81 3hoy h GLY 85 Ca 0.00 -0.04 -0.54 0.00 0.00 0.00 0.00 47.33 46.75 3hoy h GLY 85 CO 0.00 -0.01 -0.87 -0.35 0.00 0.00 0.00 176.54 175.30 3hoy s ASP 86 N -5.53 1.84 0.26 0.19 -1.08 -1.23 -5.10 116.67 106.01 3hoy s ASP 86 Ca -0.06 -2.49 -0.04 0.00 -0.52 0.00 0.00 52.55 49.43 3hoy s ASP 86 Cb 0.22 -0.19 0.02 0.00 -1.46 0.00 0.00 42.92 41.51 3hoy s ASP 86 CO 0.78 -0.23 0.41 0.54 0.52 0.00 0.00 175.17 177.19 3hoy n ARG 87 N 3.47 0.59 -1.93 4.34 1.74 -1.04 -5.11 116.66 118.72 3hoy n ARG 87 Ca 0.20 -1.82 -0.42 0.00 -0.77 0.00 0.00 57.85 55.04 3hoy n ARG 87 Cb 0.44 1.90 -0.03 0.00 -1.02 0.00 0.00 32.46 33.75 3hoy n ARG 87 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hoy s SER 88 N -2.49 6.61 -0.60 0.55 1.04 -1.26 -4.93 113.70 112.62 3hoy s SER 88 Ca 0.17 2.42 0.06 0.00 0.48 0.00 0.00 55.95 59.08 3hoy s SER 88 Cb -0.02 -2.55 0.28 0.00 0.10 0.00 0.00 66.02 63.83 3hoy s SER 88 CO 0.12 -0.91 0.79 0.18 0.98 0.00 0.00 173.24 174.40 3hoy n LEU 89 N 6.28 3.66 0.00 2.42 4.77 -1.26 -4.89 117.00 127.98 3hoy n LEU 89 Ca 0.17 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.69 3hoy n LEU 89 Cb 0.41 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3hoy n LEU 89 CO 0.63 2.15 0.10 0.00 -1.33 0.00 0.00 177.39 178.93 3hoy n ALA 90 N 0.58 1.10 0.74 -1.18 0.00 -1.26 -3.33 120.51 117.15 3hoy n ALA 90 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3hoy n ALA 90 Cb 0.42 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3hoy n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hoy n ASP 91 N -0.63 2.18 -2.07 0.00 5.75 -1.26 -4.59 116.55 115.92 3hoy n ASP 91 Ca 0.00 -1.47 -0.02 0.00 -0.01 0.00 0.00 54.79 53.29 3hoy n ASP 91 Cb 0.00 -0.37 -0.03 0.00 -1.03 0.00 0.00 41.12 39.69 3hoy n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3hoy n ASP 92 N 0.62 1.92 -1.53 -1.12 8.00 -1.21 -4.56 116.55 118.68 3hoy n ASP 92 Ca 0.00 -1.69 -0.04 0.00 0.71 0.00 0.00 54.79 53.77 3hoy n ASP 92 Cb 0.36 -0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 3hoy n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hoy n TYR 93 N 2.33 -0.62 -1.90 1.24 4.02 -1.26 -4.97 117.16 115.99 3hoy n TYR 93 Ca 0.08 -0.63 0.05 0.00 -0.01 0.00 0.00 57.90 57.40 3hoy n TYR 93 Cb 0.26 0.13 0.13 0.00 -0.02 0.00 0.00 39.34 39.85 3hoy n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3hoy n ASP 94 N -2.11 1.44 -3.15 7.72 8.00 -0.14 -4.97 116.55 123.35 3hoy n ASP 94 Ca 0.00 -3.14 0.06 0.00 0.71 0.00 0.00 54.79 52.42 3hoy n ASP 94 Cb 0.15 -0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 3hoy n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3hoy s TYR 95 N -1.99 -0.10 -0.25 1.24 6.04 -1.21 -4.87 117.35 116.21 3hoy s TYR 95 Ca 0.35 0.12 -0.03 0.00 0.04 0.00 0.00 57.07 57.55 3hoy s TYR 95 Cb 0.36 0.04 0.08 0.00 -1.04 0.00 0.00 41.96 41.40 3hoy s TYR 95 CO -0.10 -0.06 0.08 0.08 -1.54 0.00 0.00 175.55 174.01 3hoy s VAL 96 N 2.90 0.44 0.48 3.14 1.01 -1.26 -1.14 120.40 125.96 3hoy s VAL 96 Ca -0.09 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3hoy s VAL 96 Cb -0.08 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.16 3hoy s VAL 96 CO -0.08 -0.47 0.66 -0.04 0.00 0.00 0.00 175.10 175.17 3hoy s MET 97 N 1.87 2.71 0.04 2.72 -1.94 -0.56 -4.89 119.30 119.24 3hoy s MET 97 Ca 0.05 -1.02 0.02 0.00 -1.71 0.00 0.00 55.69 53.03 3hoy s MET 97 Cb -0.17 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 3hoy s MET 97 CO -0.20 -0.46 -0.08 -0.47 -0.01 0.00 0.00 175.02 173.81 3hoy s TYR 98 N -2.53 0.66 -0.96 -0.03 5.04 -1.26 -1.16 117.35 117.10 3hoy s TYR 98 Ca 0.56 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.70 3hoy s TYR 98 Cb -0.10 -0.40 0.00 0.00 0.35 0.00 0.00 41.96 41.81 3hoy s TYR 98 CO 0.35 -0.08 0.00 0.41 -1.34 0.00 0.00 175.55 174.89 3hoy n GLY 99 N 1.53 -0.62 3.19 8.97 0.00 -1.18 -4.44 105.19 112.64 3hoy n GLY 99 Ca -0.22 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.11 3hoy n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hoy s THR 100 N -3.35 0.63 -0.20 2.61 2.01 0.89 -4.19 115.64 114.04 3hoy s THR 100 Ca 0.00 -1.95 -0.07 0.00 0.31 0.00 0.00 61.69 59.98 3hoy s THR 100 Cb 0.00 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 3hoy s THR 100 CO 0.00 -0.70 0.06 0.00 -0.69 0.00 0.00 174.62 173.29 3hoy s ALA 101 N -3.68 3.34 -0.24 7.40 0.00 -1.25 0.16 121.76 127.48 3hoy s ALA 101 Ca 0.17 -0.83 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 3hoy s ALA 101 Cb 0.06 -1.95 -0.11 0.00 0.00 0.00 0.00 23.12 21.12 3hoy s ALA 101 CO -0.01 0.03 -0.30 2.48 0.00 0.00 0.00 175.76 177.96 3hoy n TYR 102 N 3.85 0.13 -4.37 0.00 0.18 -1.01 -4.81 117.16 111.13 3hoy n TYR 102 Ca -0.16 0.06 -0.28 0.00 1.88 0.00 0.00 57.90 59.40 3hoy n TYR 102 Cb 0.52 -0.87 -0.13 0.00 -0.38 0.00 0.00 39.34 38.48 3hoy n TYR 102 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 3hoy s LYS 103 N -2.59 1.35 -0.55 -3.48 2.20 -1.26 -5.00 119.74 110.41 3hoy s LYS 103 Ca -0.34 -1.33 0.04 0.00 -0.36 0.00 0.00 55.97 53.98 3hoy s LYS 103 Cb 0.11 -1.77 0.38 0.00 -1.51 0.00 0.00 37.83 35.03 3hoy s LYS 103 CO 0.47 0.41 1.11 1.19 -0.36 0.00 0.00 175.35 178.18 3hoy n PHE 104 N 0.86 3.67 -1.50 4.03 3.01 -1.26 -1.14 117.46 125.13 3hoy n PHE 104 Ca -0.18 -3.46 -0.43 0.00 1.01 0.00 0.00 57.45 54.39 3hoy n PHE 104 Cb 0.54 -0.37 -0.00 0.00 -0.01 0.00 0.00 39.48 39.63 3hoy n PHE 104 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hoy n GLU 105 N -0.36 0.78 -3.67 -1.08 2.13 -0.91 -4.72 120.64 112.81 3hoy n GLU 105 Ca 0.36 0.28 -0.37 0.00 0.66 0.00 0.00 57.16 58.09 3hoy n GLU 105 Cb 0.50 -1.57 -0.08 0.00 0.27 0.00 0.00 31.44 30.55 3hoy n GLU 105 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3hoy s GLU 106 N -1.52 2.81 -0.81 5.31 2.02 -1.26 -1.18 118.70 124.07 3hoy s GLU 106 Ca 0.62 -2.70 -0.25 0.00 0.02 0.00 0.00 54.97 52.66 3hoy s GLU 106 Cb -0.68 -3.84 -0.20 0.00 0.10 0.00 0.00 34.13 29.52 3hoy s GLU 106 CO 0.58 -1.20 1.90 0.28 0.02 0.00 0.00 175.26 176.84 3hoy n VAL 107 N 3.26 1.06 0.00 2.63 0.31 0.11 -4.87 118.33 120.83 3hoy n VAL 107 Ca 0.11 -1.03 0.00 0.00 -0.01 0.00 0.00 64.34 63.42 3hoy n VAL 107 Cb 0.38 -2.13 0.00 0.00 -0.91 0.00 0.00 33.84 31.18 3hoy n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hoy n SER 108 N 12.81 0.00 0.00 4.52 3.41 -1.26 -3.98 113.62 129.12 3hoy n SER 108 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3hoy n SER 108 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hoy n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hoy n LYS 109 N 0.00 0.00 -2.71 4.33 5.02 -1.26 -1.30 118.16 122.25 3hoy n LYS 109 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 3hoy n LYS 109 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.09 3hoy n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hoy n ASP 110 N 5.08 -0.16 -4.10 4.39 5.75 -1.26 -5.03 116.55 121.21 3hoy n ASP 110 Ca 0.00 -2.42 -0.36 0.00 -0.01 0.00 0.00 54.79 52.00 3hoy n ASP 110 Cb 0.00 0.21 -0.11 0.00 -1.03 0.00 0.00 41.12 40.19 3hoy n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3hoy s LEU 111 N -3.44 5.19 0.19 -2.12 1.43 -0.42 -4.54 118.68 114.98 3hoy s LEU 111 Ca 0.22 -2.53 -0.13 0.00 -1.03 0.00 0.00 54.13 50.67 3hoy s LEU 111 Cb 0.41 -1.83 -0.07 0.00 0.03 0.00 0.00 46.19 44.73 3hoy s LEU 111 CO -0.05 -0.43 0.57 -0.51 0.23 0.00 0.00 176.35 176.16 3hoy s ILE 112 N 0.42 4.86 -0.04 -0.59 2.07 -1.01 -0.71 121.20 126.20 3hoy s ILE 112 Ca 0.13 0.72 -0.00 0.00 -1.41 0.00 0.00 60.65 60.09 3hoy s ILE 112 Cb -0.22 -3.69 0.03 0.00 0.13 0.00 0.00 42.46 38.71 3hoy s ILE 112 CO -0.04 0.10 0.01 0.00 -1.91 0.00 0.00 174.94 173.11 3hoy s ALA 113 N -1.63 0.37 0.06 1.50 0.00 -0.32 -1.98 121.76 119.75 3hoy s ALA 113 Ca 0.42 0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.55 3hoy s ALA 113 Cb -0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3hoy s ALA 113 CO 0.20 -0.21 -0.04 0.14 0.00 0.00 0.00 175.76 175.85 3hoy s VAL 114 N 1.38 3.80 -0.02 0.00 -7.23 -1.00 -2.15 120.40 115.18 3hoy s VAL 114 Ca -0.05 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3hoy s VAL 114 Cb -0.13 -2.74 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3hoy s VAL 114 CO -0.03 0.23 0.02 -0.31 -0.31 0.00 0.00 175.10 174.71 3hoy s TYR 115 N -1.17 3.16 -0.01 2.82 1.51 -0.29 -1.45 117.35 121.92 3hoy s TYR 115 Ca 0.22 0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.46 3hoy s TYR 115 Cb -0.11 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3hoy s TYR 115 CO 0.13 0.49 -0.11 0.71 -1.11 0.00 0.00 175.55 175.67 3hoy s TYR 116 N -1.06 0.96 -0.11 2.71 1.51 -0.53 -2.41 117.35 118.43 3hoy s TYR 116 Ca 0.19 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 3hoy s TYR 116 Cb -0.12 -0.62 0.01 0.00 -0.11 0.00 0.00 41.96 41.12 3hoy s TYR 116 CO 0.09 -0.02 -0.18 0.45 -1.11 0.00 0.00 175.55 174.78 3hoy s SER 117 N -0.23 2.63 -0.89 2.29 0.15 0.41 -0.32 113.70 117.74 3hoy s SER 117 Ca 0.04 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.20 3hoy s SER 117 Cb -0.04 -1.20 0.22 0.00 -1.71 0.00 0.00 66.02 63.29 3hoy s SER 117 CO -0.00 0.07 0.80 0.49 1.20 0.00 0.00 173.24 175.79 3hoy n PHE 118 N 3.95 4.07 -3.93 3.44 3.01 0.32 -0.08 117.46 128.25 3hoy n PHE 118 Ca -0.20 -4.09 -0.26 0.00 1.01 0.00 0.00 57.45 53.92 3hoy n PHE 118 Cb 0.52 -1.08 -0.01 0.00 -0.01 0.00 0.00 39.48 38.89 3hoy n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hoy n GLY 119 N 2.16 -0.26 0.00 1.37 0.00 -1.26 -1.57 105.19 105.63 3hoy n GLY 119 Ca 0.22 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3hoy n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hoy n GLY 120 N -1.86 3.05 3.52 -0.02 0.00 -1.26 -5.03 105.19 103.59 3hoy n GLY 120 Ca -0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3hoy n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hoy s LEU 121 N 0.00 4.64 0.59 0.99 1.43 -0.61 -5.06 118.68 120.67 3hoy s LEU 121 Ca 0.00 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 3hoy s LEU 121 Cb 0.00 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.93 3hoy s LEU 121 CO 0.00 -0.42 0.87 -0.76 0.23 0.00 0.00 176.35 176.27 3hoy s LEU 122 N 2.00 3.18 -0.02 1.79 1.43 -1.26 0.12 118.68 125.92 3hoy s LEU 122 Ca 0.11 0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 53.30 3hoy s LEU 122 Cb -0.17 -3.18 0.07 0.00 0.03 0.00 0.00 46.19 42.94 3hoy s LEU 122 CO 0.12 -1.19 0.66 -0.32 0.23 0.00 0.00 176.35 175.84 3hoy s MET 123 N -4.94 1.07 -0.08 1.70 -2.45 0.56 -0.78 119.30 114.37 3hoy s MET 123 Ca 0.56 0.15 -0.03 0.00 -1.25 0.00 0.00 55.69 55.12 3hoy s MET 123 Cb -0.10 0.50 0.05 0.00 1.25 0.00 0.00 34.83 36.52 3hoy s MET 123 CO 0.42 -0.35 0.16 0.50 1.05 0.00 0.00 175.02 176.80 3hoy s ARG 124 N -1.51 0.04 0.16 4.11 3.52 0.94 -1.45 118.95 124.76 3hoy s ARG 124 Ca -0.10 0.56 0.05 0.00 -0.13 0.00 0.00 55.73 56.11 3hoy s ARG 124 Cb -0.00 -0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.08 3hoy s ARG 124 CO 0.07 -0.30 0.15 -1.17 -0.81 0.00 0.00 175.30 173.24 3hoy s LEU 125 N 2.25 3.87 -0.15 -0.88 2.96 -0.52 -1.14 118.68 125.07 3hoy s LEU 125 Ca 0.03 -0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.66 3hoy s LEU 125 Cb -0.12 -2.47 0.05 0.00 0.50 0.00 0.00 46.19 44.14 3hoy s LEU 125 CO -0.06 0.07 0.49 -0.70 -1.32 0.00 0.00 176.35 174.83 3hoy s GLU 126 N -3.13 0.65 0.00 1.98 2.12 -1.15 -2.37 118.70 116.80 3hoy s GLU 126 Ca 0.31 0.51 0.00 0.00 0.36 0.00 0.00 54.97 56.15 3hoy s GLU 126 Cb -0.10 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.60 3hoy s GLU 126 CO 0.24 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.25 3hoy n GLY 127 N 2.36 -0.41 0.00 -1.50 0.00 -0.84 -2.97 105.19 101.83 3hoy n GLY 127 Ca -0.15 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3hoy n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hoy n ASN 128 N 0.00 0.00 -0.16 1.61 4.05 -1.26 -2.42 115.26 117.08 3hoy n ASN 128 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 3hoy n ASN 128 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 3hoy n ASN 128 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hoy n TYR 129 N 0.00 0.00 -1.70 1.20 0.18 -1.26 -4.83 117.16 110.75 3hoy n TYR 129 Ca 0.00 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.56 3hoy n TYR 129 Cb 0.00 0.12 0.08 0.00 -0.38 0.00 0.00 39.34 39.16 3hoy n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3hoy n ARG 130 N 0.00 2.91 -0.23 -3.48 3.00 -1.26 -4.82 116.66 112.77 3hoy n ARG 130 Ca 0.00 -3.69 0.01 0.00 -0.01 0.00 0.00 57.85 54.16 3hoy n ARG 130 Cb 0.52 -2.16 0.08 0.00 0.00 0.00 0.00 32.46 30.90 3hoy n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3hoy h ASN 131 N 1.82 -0.60 -0.57 0.55 2.35 -1.94 -1.47 115.58 115.73 3hoy h ASN 131 Ca 0.39 0.20 -0.41 0.00 -0.55 0.00 0.00 56.30 55.94 3hoy h ASN 131 Cb 1.38 0.41 -0.37 0.00 0.05 0.00 0.00 38.32 39.80 3hoy h ASN 131 CO 0.88 -0.22 -0.85 0.18 -1.65 0.00 0.00 177.43 175.77 3hoy n LEU 132 N -5.44 3.85 0.00 1.61 4.77 -1.26 -4.86 117.00 115.67 3hoy n LEU 132 Ca 0.09 -4.21 0.00 0.00 -0.03 0.00 0.00 56.01 51.87 3hoy n LEU 132 Cb 0.36 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3hoy n LEU 132 CO 0.03 1.75 0.00 0.59 -1.33 0.00 0.00 177.39 178.43 3hoy n ASN 133 N -0.69 0.00 -4.54 -1.43 3.02 -0.58 -4.99 115.26 106.05 3hoy n ASN 133 Ca 0.32 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.53 3hoy n ASN 133 Cb 0.91 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.00 3hoy n ASN 133 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hoy n ASN 134 N -0.53 1.58 -2.84 6.41 2.85 -1.03 -4.90 115.26 116.80 3hoy n ASN 134 Ca 0.00 -0.47 0.00 0.00 -0.11 0.00 0.00 54.58 54.00 3hoy n ASN 134 Cb 0.00 -1.38 0.00 0.00 1.24 0.00 0.00 39.78 39.64 3hoy n ASN 134 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3hoy n LEU 135 N 14.49 0.00 -0.25 1.20 4.77 -1.26 -4.95 117.00 131.00 3hoy n LEU 135 Ca 0.47 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 3hoy n LEU 135 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3hoy n LEU 135 CO 0.76 -0.88 0.22 0.29 -1.33 0.00 0.00 177.39 176.46 3hoy n LYS 136 N -0.36 0.00 -2.97 3.23 5.02 -1.26 -5.10 118.16 116.72 3hoy n LYS 136 Ca 0.00 -0.59 -0.18 0.00 -2.02 0.00 0.00 58.31 55.52 3hoy n LYS 136 Cb 0.00 -0.39 0.03 0.00 -0.02 0.00 0.00 35.03 34.65 3hoy n LYS 136 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hoy s GLN 137 N 0.00 2.57 0.06 1.97 -0.21 -1.26 -4.88 119.66 117.92 3hoy s GLN 137 Ca 0.00 -1.34 -0.30 0.00 0.02 0.00 0.00 55.36 53.73 3hoy s GLN 137 Cb 0.00 -2.68 -0.15 0.00 1.00 0.00 0.00 33.01 31.18 3hoy s GLN 137 CO 0.00 -0.56 1.47 1.49 -2.12 0.00 0.00 175.29 175.56 3hoy h GLU 138 N 0.38 -0.90 -1.28 2.91 4.22 -1.87 -3.33 114.58 114.71 3hoy h GLU 138 Ca -0.36 0.06 -0.16 0.00 0.08 0.00 0.00 59.36 58.98 3hoy h GLU 138 Cb 1.28 0.20 0.02 0.00 0.50 0.00 0.00 28.75 30.75 3hoy h GLU 138 CO 0.44 -0.60 -0.04 0.09 -2.18 0.00 0.00 179.01 176.72 3hoy n ASN 139 N -5.01 -0.10 0.00 1.04 3.02 -1.26 -4.09 115.26 108.86 3hoy n ASN 139 Ca -0.11 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3hoy n ASN 139 Cb 0.41 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 3hoy n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hoy n ALA 140 N 0.20 0.00 -2.69 5.41 0.00 -1.26 -4.82 120.51 117.35 3hoy n ALA 140 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.10 3hoy n ALA 140 Cb 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 3hoy n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hoy s TYR 141 N 0.00 3.42 -0.02 0.00 1.51 0.44 -3.11 117.35 119.60 3hoy s TYR 141 Ca 0.00 0.73 -0.12 0.00 -1.01 0.00 0.00 57.07 56.67 3hoy s TYR 141 Cb 0.00 -2.55 -0.05 0.00 -0.11 0.00 0.00 41.96 39.25 3hoy s TYR 141 CO 0.00 0.04 0.34 -1.17 -1.11 0.00 0.00 175.55 173.65 3hoy s LEU 142 N 1.11 4.43 0.08 -1.29 2.96 -0.31 -3.95 118.68 121.71 3hoy s LEU 142 Ca 0.22 0.80 0.05 0.00 -0.22 0.00 0.00 54.13 54.98 3hoy s LEU 142 Cb -0.15 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 3hoy s LEU 142 CO 0.09 0.32 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.55 3hoy s LEU 143 N -1.23 2.33 0.00 -0.68 1.02 0.39 -1.50 118.68 119.01 3hoy s LEU 143 Ca 0.23 -0.69 -0.15 0.00 0.02 0.00 0.00 54.13 53.55 3hoy s LEU 143 Cb -0.15 -0.43 0.02 0.00 0.02 0.00 0.00 46.19 45.65 3hoy s LEU 143 CO 0.12 -0.15 0.32 -0.63 0.02 0.00 0.00 176.35 176.04 3hoy s ILE 144 N -1.70 0.06 -0.01 -0.59 1.01 -0.29 -1.57 121.20 118.12 3hoy s ILE 144 Ca 0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 3hoy s ILE 144 Cb -0.07 -0.74 0.02 0.00 0.01 0.00 0.00 42.46 41.68 3hoy s ILE 144 CO 0.02 -0.29 0.28 0.00 0.00 0.00 0.00 174.94 174.95 3hoy s ARG 145 N -1.74 0.65 0.00 2.79 1.70 -1.26 -0.96 118.95 120.13 3hoy s ARG 145 Ca -0.11 -0.25 0.00 0.00 -0.47 0.00 0.00 55.73 54.90 3hoy s ARG 145 Cb -0.04 0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.63 3hoy s ARG 145 CO 0.02 -0.18 0.00 0.54 -1.08 0.00 0.00 175.30 174.60