#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dpt s PHE 2 N 0.00 2.31 -0.11 6.00 0.40 0.64 -1.14 117.98 126.09 1dpt s PHE 2 Ca 0.00 -1.17 0.03 0.00 -0.60 0.00 0.00 56.93 55.19 1dpt s PHE 2 Cb 0.00 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.90 1dpt s PHE 2 CO 0.00 -0.58 -0.22 -0.51 0.70 0.00 0.00 175.22 174.61 1dpt s LEU 3 N 1.02 2.15 -0.12 -0.37 1.02 0.32 -0.69 118.68 122.01 1dpt s LEU 3 Ca -0.04 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.57 1dpt s LEU 3 Cb -0.15 -1.44 0.01 0.00 0.02 0.00 0.00 46.19 44.64 1dpt s LEU 3 CO -0.04 0.14 -0.17 -1.61 0.02 0.00 0.00 176.35 174.69 1dpt s GLU 4 N 0.47 2.41 -0.20 1.70 2.02 -0.10 -0.49 118.70 124.52 1dpt s GLU 4 Ca -0.15 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.23 1dpt s GLU 4 Cb -0.17 -2.04 0.03 0.00 0.10 0.00 0.00 34.13 32.05 1dpt s GLU 4 CO 0.06 -0.07 -0.17 -1.17 0.02 0.00 0.00 175.26 173.92 1dpt s LEU 5 N 1.01 2.43 -0.14 1.80 2.96 0.65 -0.66 118.68 126.73 1dpt s LEU 5 Ca -0.05 -0.83 -0.06 0.00 -0.22 0.00 0.00 54.13 52.96 1dpt s LEU 5 Cb -0.15 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1dpt s LEU 5 CO -0.03 -0.05 0.09 -1.81 -1.32 0.00 0.00 176.35 173.22 1dpt s ASP 6 N 1.26 5.90 -0.01 3.68 1.01 -0.31 -0.48 116.67 127.73 1dpt s ASP 6 Ca 0.01 0.27 -0.13 0.00 0.71 0.00 0.00 52.55 53.41 1dpt s ASP 6 Cb -0.15 -1.90 0.02 0.00 1.01 0.00 0.00 42.92 41.90 1dpt s ASP 6 CO -0.11 0.32 0.27 0.28 0.21 0.00 0.00 175.17 176.14 1dpt s THR 7 N -0.49 0.06 -2.27 -1.27 -1.32 -0.75 -0.89 115.64 108.71 1dpt s THR 7 Ca 0.11 -0.53 0.20 0.00 -1.21 0.00 0.00 61.69 60.26 1dpt s THR 7 Cb -0.12 -0.58 0.44 0.00 -1.51 0.00 0.00 72.50 70.73 1dpt s THR 7 CO 0.02 -0.29 1.45 -0.46 -2.21 0.00 0.00 174.62 173.12 1dpt n ASN 8 N 1.29 2.62 -4.74 8.08 6.94 -1.22 -2.02 115.26 126.20 1dpt n ASN 8 Ca -0.22 -1.90 -0.41 0.00 -0.02 0.00 0.00 54.58 52.04 1dpt n ASN 8 Cb 0.56 -0.22 -0.04 0.00 -2.36 0.00 0.00 39.78 37.72 1dpt n ASN 8 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1dpt s LEU 9 N -1.38 4.50 0.73 -4.53 1.43 -1.26 -4.53 118.68 113.64 1dpt s LEU 9 Ca 0.35 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.51 1dpt s LEU 9 Cb 0.19 -3.61 0.04 0.00 0.03 0.00 0.00 46.19 42.84 1dpt s LEU 9 CO 0.27 -0.24 1.13 -2.16 0.23 0.00 0.00 176.35 175.59 1dpt s PRO 10 N -0.69 2.31 0.40 1.29 0.04 -1.26 -0.86 135.00 136.23 1dpt s PRO 10 Ca 0.49 1.45 0.17 0.00 0.04 0.00 0.00 61.00 63.15 1dpt s PRO 10 Cb -0.31 -1.88 1.06 0.00 0.04 0.00 0.00 34.50 33.40 1dpt s PRO 10 CO 0.38 -1.64 1.82 0.00 0.04 0.00 0.00 177.00 177.60 1dpt h ALA 11 N -0.52 2.17 -0.05 8.56 0.00 -1.94 0.28 119.26 127.76 1dpt h ALA 11 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1dpt h ALA 11 Cb 1.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1dpt h ALA 11 CO 0.51 -0.50 0.00 0.27 0.00 0.00 0.00 179.25 179.53 1dpt n ASN 12 N -4.56 0.29 -0.05 0.00 6.94 -1.26 -2.55 115.26 114.06 1dpt n ASN 12 Ca 0.22 -1.91 0.01 0.00 -0.02 0.00 0.00 54.58 52.87 1dpt n ASN 12 Cb 0.75 -0.03 0.01 0.00 -2.36 0.00 0.00 39.78 38.14 1dpt n ASN 12 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1dpt n ARG 13 N -0.39 -0.45 -3.40 -3.83 1.74 0.08 -4.96 116.66 105.46 1dpt n ARG 13 Ca 0.04 -0.67 -0.38 0.00 -0.77 0.00 0.00 57.85 56.06 1dpt n ARG 13 Cb 0.06 -1.02 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1dpt n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dpt s VAL 14 N -0.19 5.20 0.18 1.55 1.01 -1.06 -4.94 120.40 122.15 1dpt s VAL 14 Ca 0.02 0.67 -0.33 0.00 0.00 0.00 0.00 61.98 62.33 1dpt s VAL 14 Cb 0.01 -3.72 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 1dpt s VAL 14 CO 0.02 0.24 1.35 -2.65 0.00 0.00 0.00 175.10 174.06 1dpt n PRO 15 N 4.60 1.65 -1.85 2.72 -0.02 -1.26 -4.89 135.00 135.95 1dpt n PRO 15 Ca -0.09 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 1dpt n PRO 15 Cb 0.51 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 1dpt n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dpt s ALA 16 N 0.17 3.62 0.00 3.55 0.00 -1.26 -2.19 121.76 125.64 1dpt s ALA 16 Ca 0.74 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.22 1dpt s ALA 16 Cb -0.77 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 18.75 1dpt s ALA 16 CO 0.48 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.68 1dpt n GLY 17 N 1.12 0.77 0.27 0.00 0.00 -1.26 -4.95 105.19 101.14 1dpt n GLY 17 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 1dpt n GLY 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dpt h LEU 18 N 0.00 0.11 -1.84 0.99 7.12 -1.81 -0.90 115.31 118.98 1dpt h LEU 18 Ca 0.00 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.14 1dpt h LEU 18 Cb 0.00 0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 1dpt h LEU 18 CO 0.00 0.02 0.11 1.05 -0.13 0.00 0.00 178.44 179.49 1dpt h GLU 19 N 0.33 0.22 0.03 1.25 9.09 -1.92 0.15 114.58 123.73 1dpt h GLU 19 Ca 0.40 -0.01 -0.15 0.00 0.05 0.00 0.00 59.36 59.64 1dpt h GLU 19 Cb 0.64 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.71 1dpt h GLU 19 CO -0.45 0.15 -0.62 0.87 0.05 0.00 0.00 179.01 179.00 1dpt h LYS 20 N 0.23 0.36 -0.22 1.06 1.57 -1.60 -2.37 116.57 115.60 1dpt h LYS 20 Ca 0.06 -0.43 -0.10 0.00 -1.87 0.00 0.00 60.65 58.31 1dpt h LYS 20 Cb -0.03 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1dpt h LYS 20 CO -0.01 1.12 -0.30 0.00 -0.57 0.00 0.00 179.45 179.69 1dpt h ARG 21 N -0.21 0.45 -0.24 3.15 3.08 -1.08 -2.22 114.38 117.30 1dpt h ARG 21 Ca -0.09 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.68 1dpt h ARG 21 Cb 1.37 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.38 1dpt h ARG 21 CO 0.12 0.70 -0.30 1.25 -1.07 0.00 0.00 179.97 180.68 1dpt h LEU 22 N 0.39 0.49 0.20 3.04 5.85 -0.75 -1.24 115.31 123.29 1dpt h LEU 22 Ca 0.05 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1dpt h LEU 22 Cb 0.72 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1dpt h LEU 22 CO 0.06 0.77 -0.16 0.00 -0.34 0.00 0.00 178.44 178.77 1dpt h ALA 24 N 0.40 0.67 -0.41 0.00 0.00 -1.24 -1.67 119.26 117.02 1dpt h ALA 24 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1dpt h ALA 24 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1dpt h ALA 24 CO -0.02 0.29 0.19 0.00 0.00 0.00 0.00 179.25 179.71 1dpt h ALA 25 N 1.05 0.53 -0.58 0.00 0.00 -1.08 -2.52 119.26 116.65 1dpt h ALA 25 Ca 0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1dpt h ALA 25 Cb 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1dpt h ALA 25 CO -0.01 0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.56 1dpt h ALA 26 N 1.04 1.31 -0.47 0.00 0.00 -0.68 0.04 119.26 120.49 1dpt h ALA 26 Ca 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1dpt h ALA 26 Cb 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dpt h ALA 26 CO -0.02 0.51 0.29 0.00 0.00 0.00 0.00 179.25 180.03 1dpt h ALA 27 N 1.42 0.60 -0.05 0.00 0.00 -0.96 -0.79 119.26 119.48 1dpt h ALA 27 Ca 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1dpt h ALA 27 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1dpt h ALA 27 CO -0.02 -0.01 -0.01 0.77 0.00 0.00 0.00 179.25 179.98 1dpt h SER 28 N 0.58 0.09 -0.35 0.00 0.02 -1.01 -0.06 113.55 112.83 1dpt h SER 28 Ca 0.18 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1dpt h SER 28 Cb -0.01 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1dpt h SER 28 CO -0.07 0.45 0.22 0.40 -1.14 0.00 0.00 176.83 176.69 1dpt h ILE 29 N -0.26 1.10 -0.00 3.27 2.04 -0.91 -2.97 117.51 119.77 1dpt h ILE 29 Ca 0.01 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1dpt h ILE 29 Cb 0.41 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1dpt h ILE 29 CO 0.00 0.10 -0.34 0.18 0.00 0.00 0.00 178.15 178.09 1dpt n LEU 30 N -4.83 0.35 -1.84 1.44 4.77 -0.31 -4.91 117.00 111.66 1dpt n LEU 30 Ca -0.01 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.02 1dpt n LEU 30 Cb 0.04 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1dpt n LEU 30 CO 0.35 0.09 0.09 0.61 -1.33 0.00 0.00 177.39 177.19 1dpt n GLY 31 N 1.50 0.24 3.38 -0.72 0.00 -0.16 -4.98 105.19 104.45 1dpt n GLY 31 Ca 0.06 -0.27 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 1dpt n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dpt s LYS 32 N -5.50 1.41 0.36 1.61 -0.14 -0.45 -5.04 119.74 111.99 1dpt s LYS 32 Ca 0.24 -1.58 -0.28 0.00 -1.36 0.00 0.00 55.97 53.00 1dpt s LYS 32 Cb -0.11 -1.37 -0.10 0.00 -1.68 0.00 0.00 37.83 34.58 1dpt s LYS 32 CO 0.30 0.25 1.35 -1.25 -0.76 0.00 0.00 175.35 175.24 1dpt s PRO 33 N -3.34 4.18 0.53 -1.68 0.05 -1.26 -4.48 135.00 129.00 1dpt s PRO 33 Ca 0.22 2.28 0.25 0.00 0.05 0.00 0.00 61.00 63.80 1dpt s PRO 33 Cb -0.03 -2.95 1.48 0.00 0.05 0.00 0.00 34.50 33.04 1dpt s PRO 33 CO 0.09 -0.36 2.13 0.00 0.05 0.00 0.00 177.00 178.91 1dpt h ALA 34 N 3.08 1.51 -0.07 8.56 0.00 -1.90 -0.24 119.26 130.20 1dpt h ALA 34 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1dpt h ALA 34 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dpt h ALA 34 CO 0.64 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.59 1dpt n ASP 35 N -3.93 0.39 -0.09 0.00 5.75 -1.26 -2.48 116.55 114.93 1dpt n ASP 35 Ca -0.02 -1.87 0.01 0.00 -0.01 0.00 0.00 54.79 52.90 1dpt n ASP 35 Cb 0.17 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.23 1dpt n ASP 35 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dpt n ARG 36 N -0.35 0.02 -3.49 0.11 5.12 -0.11 -5.00 116.66 112.96 1dpt n ARG 36 Ca 0.06 -0.82 -0.37 0.00 -1.93 0.00 0.00 57.85 54.78 1dpt n ARG 36 Cb 0.08 -1.04 -0.06 0.00 -1.16 0.00 0.00 32.46 30.27 1dpt n ARG 36 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1dpt s VAL 37 N -0.34 5.20 -0.07 1.55 1.01 -1.04 -1.52 120.40 125.20 1dpt s VAL 37 Ca 0.03 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.78 1dpt s VAL 37 Cb 0.02 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1dpt s VAL 37 CO 0.03 0.45 -0.24 0.20 0.00 0.00 0.00 175.10 175.54 1dpt s ASN 38 N -0.07 2.98 -0.04 3.32 0.01 -0.29 -4.95 114.94 115.91 1dpt s ASN 38 Ca 0.21 -0.51 0.03 0.00 -0.71 0.00 0.00 52.86 51.88 1dpt s ASN 38 Cb -0.15 -1.02 -0.00 0.00 0.41 0.00 0.00 41.25 40.49 1dpt s ASN 38 CO 0.08 0.20 -0.13 -0.69 -1.51 0.00 0.00 177.10 175.05 1dpt s VAL 39 N 0.05 1.13 -0.09 1.60 1.01 -1.26 -0.52 120.40 122.32 1dpt s VAL 39 Ca -0.09 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1dpt s VAL 39 Cb -0.15 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.26 1dpt s VAL 39 CO 0.05 0.34 -0.10 -0.89 0.00 0.00 0.00 175.10 174.50 1dpt s THR 40 N 0.11 1.07 -0.13 3.92 2.01 0.36 -4.97 115.64 118.02 1dpt s THR 40 Ca -0.03 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1dpt s THR 40 Cb -0.10 -1.04 -0.00 0.00 0.01 0.00 0.00 72.50 71.37 1dpt s THR 40 CO 0.01 0.36 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.44 1dpt s VAL 41 N 1.18 2.56 -0.40 3.82 1.01 -1.26 -0.26 120.40 127.05 1dpt s VAL 41 Ca -0.05 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1dpt s VAL 41 Cb -0.14 -2.05 0.11 0.00 0.00 0.00 0.00 36.38 34.30 1dpt s VAL 41 CO -0.02 0.53 0.14 -0.13 0.00 0.00 0.00 175.10 175.62 1dpt s ARG 42 N 0.53 1.53 0.67 2.72 0.52 0.37 -4.97 118.95 120.32 1dpt s ARG 42 Ca -0.11 -2.03 -0.02 0.00 -0.52 0.00 0.00 55.73 53.04 1dpt s ARG 42 Cb -0.16 -3.02 0.08 0.00 0.52 0.00 0.00 34.95 32.37 1dpt s ARG 42 CO 0.04 -1.02 0.94 -1.25 0.02 0.00 0.00 175.30 174.03 1dpt s PRO 43 N 0.55 2.03 -1.38 3.54 0.04 -1.26 -1.81 135.00 136.72 1dpt s PRO 43 Ca 0.13 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.39 1dpt s PRO 43 Cb -0.22 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1dpt s PRO 43 CO -0.07 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1dpt n GLY 44 N -2.73 1.23 3.91 0.56 0.00 -0.04 -4.81 105.19 103.31 1dpt n GLY 44 Ca 0.11 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1dpt n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dpt s LEU 45 N -3.10 2.90 -0.27 0.99 1.43 -0.85 -4.97 118.68 114.80 1dpt s LEU 45 Ca 0.00 0.71 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 1dpt s LEU 45 Cb 0.00 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1dpt s LEU 45 CO 0.00 -1.45 0.29 0.00 0.23 0.00 0.00 176.35 175.42 1dpt s ALA 46 N -3.25 3.55 0.03 4.21 0.00 -1.26 -4.21 121.76 120.83 1dpt s ALA 46 Ca 0.58 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1dpt s ALA 46 Cb -0.11 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 1dpt s ALA 46 CO 0.47 -0.61 -0.04 -1.64 0.00 0.00 0.00 175.76 173.94 1dpt s MET 47 N 1.93 0.42 -0.06 0.00 -1.94 -1.26 -5.02 119.30 113.37 1dpt s MET 47 Ca 0.11 -0.75 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 1dpt s MET 47 Cb -0.16 0.02 0.01 0.00 2.01 0.00 0.00 34.83 36.72 1dpt s MET 47 CO 0.10 -0.03 -0.11 0.00 -0.01 0.00 0.00 175.02 174.97 1dpt s ALA 48 N -1.85 1.13 -0.08 3.03 0.00 -1.26 -4.30 121.76 118.44 1dpt s ALA 48 Ca -0.11 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.53 1dpt s ALA 48 Cb -0.07 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.54 1dpt s ALA 48 CO -0.02 0.10 -0.12 -1.17 0.00 0.00 0.00 175.76 174.55 1dpt s LEU 49 N 0.67 1.57 -1.49 0.00 0.20 0.19 -4.66 118.68 115.16 1dpt s LEU 49 Ca -0.13 -0.32 -0.12 0.00 0.69 0.00 0.00 54.13 54.25 1dpt s LEU 49 Cb -0.15 -0.87 0.07 0.00 -0.43 0.00 0.00 46.19 44.81 1dpt s LEU 49 CO 0.03 0.00 0.97 -1.20 -0.29 0.00 0.00 176.35 175.86 1dpt n SER 50 N 4.08 -4.51 0.00 3.68 7.64 -1.26 -1.55 113.62 121.70 1dpt n SER 50 Ca -0.20 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 58.91 1dpt n SER 50 Cb 0.51 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 1dpt n SER 50 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dpt n GLY 51 N -1.71 0.51 3.42 0.23 0.00 -1.26 -5.00 105.19 101.37 1dpt n GLY 51 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1dpt n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dpt s SER 52 N -2.44 3.63 -0.04 1.61 0.15 -0.59 -5.02 113.70 111.00 1dpt s SER 52 Ca 0.00 -0.37 0.14 0.00 0.70 0.00 0.00 55.95 56.42 1dpt s SER 52 Cb 0.00 -0.60 0.46 0.00 -1.71 0.00 0.00 66.02 64.18 1dpt s SER 52 CO 0.00 0.31 1.35 0.35 1.20 0.00 0.00 173.24 176.45 1dpt n THR 53 N 2.08 0.97 -0.89 6.45 -2.24 -1.26 -0.64 114.28 118.74 1dpt n THR 53 Ca -0.17 -0.73 -0.31 0.00 -2.27 0.00 0.00 64.05 60.57 1dpt n THR 53 Cb 0.52 0.15 0.14 0.00 -2.10 0.00 0.00 70.33 69.04 1dpt n THR 53 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1dpt s GLU 54 N -1.56 1.37 0.21 -0.78 0.41 -1.26 -4.86 118.70 112.23 1dpt s GLU 54 Ca 0.34 1.51 -0.31 0.00 -0.41 0.00 0.00 54.97 56.10 1dpt s GLU 54 Cb 0.20 -1.77 -0.15 0.00 -1.78 0.00 0.00 34.13 30.63 1dpt s GLU 54 CO 0.19 -2.36 1.10 -2.30 -0.49 0.00 0.00 175.26 171.40 1dpt n PRO 55 N -3.92 1.20 -3.91 0.39 -0.02 -1.26 -4.84 135.00 122.64 1dpt n PRO 55 Ca 0.12 0.43 -0.10 0.00 -2.02 0.00 0.00 63.50 61.92 1dpt n PRO 55 Cb 0.52 -1.87 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 1dpt n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dpt s ALA 57 N -3.07 -0.81 -0.10 0.00 0.00 -0.37 -3.44 121.76 113.96 1dpt s ALA 57 Ca 0.19 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.73 1dpt s ALA 57 Cb -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1dpt s ALA 57 CO 0.12 -0.23 -0.21 -0.65 0.00 0.00 0.00 175.76 174.79 1dpt s GLN 58 N -0.83 2.71 -0.07 0.00 -1.52 -0.07 -2.74 119.66 117.14 1dpt s GLN 58 Ca -0.09 -0.76 0.05 0.00 -1.95 0.00 0.00 55.36 52.61 1dpt s GLN 58 Cb -0.04 -2.11 -0.01 0.00 -0.22 0.00 0.00 33.01 30.62 1dpt s GLN 58 CO 0.03 0.10 -0.21 -1.17 -0.25 0.00 0.00 175.29 173.79 1dpt s LEU 59 N 0.54 2.28 -0.11 2.90 2.96 -0.34 -1.16 118.68 125.75 1dpt s LEU 59 Ca -0.15 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 1dpt s LEU 59 Cb -0.17 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 1dpt s LEU 59 CO 0.05 0.24 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.67 1dpt s SER 60 N -0.15 3.26 -0.14 3.68 0.01 0.16 -0.89 113.70 119.62 1dpt s SER 60 Ca -0.03 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.72 1dpt s SER 60 Cb -0.14 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.66 1dpt s SER 60 CO 0.04 0.15 -0.18 -0.63 0.41 0.00 0.00 173.24 173.03 1dpt s ILE 61 N 0.40 1.77 -0.05 1.44 1.01 0.32 -0.92 121.20 125.17 1dpt s ILE 61 Ca -0.16 -0.79 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1dpt s ILE 61 Cb -0.17 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1dpt s ILE 61 CO 0.07 0.49 -0.20 -0.44 0.00 0.00 0.00 174.94 174.86 1dpt s SER 62 N 1.13 2.54 0.14 3.58 0.01 0.13 -0.26 113.70 120.97 1dpt s SER 62 Ca -0.02 -0.42 -0.24 0.00 1.31 0.00 0.00 55.95 56.58 1dpt s SER 62 Cb -0.14 -0.74 0.07 0.00 0.21 0.00 0.00 66.02 65.42 1dpt s SER 62 CO -0.06 0.18 0.73 -0.55 0.41 0.00 0.00 173.24 173.95 1dpt s SER 63 N -0.00 -0.42 -0.11 2.44 0.15 -0.98 -0.26 113.70 114.51 1dpt s SER 63 Ca -0.05 -0.15 -0.20 0.00 0.70 0.00 0.00 55.95 56.25 1dpt s SER 63 Cb -0.13 0.56 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 1dpt s SER 63 CO 0.03 -0.95 0.55 -0.63 1.20 0.00 0.00 173.24 173.44 1dpt s ILE 64 N -3.58 5.14 0.00 6.45 1.01 -1.26 -0.96 121.20 128.00 1dpt s ILE 64 Ca 0.05 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.80 1dpt s ILE 64 Cb -0.02 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.56 1dpt s ILE 64 CO -0.07 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1dpt n GLY 65 N 3.29 1.41 0.88 6.18 0.00 -1.26 -4.75 105.19 110.93 1dpt n GLY 65 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 1dpt n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dpt n VAL 66 N -0.66 0.17 -2.06 1.61 0.24 -1.26 -4.50 118.33 111.86 1dpt n VAL 66 Ca 0.00 -0.59 -0.04 0.00 -2.04 0.00 0.00 64.34 61.67 1dpt n VAL 66 Cb 0.00 1.26 0.10 0.00 -1.47 0.00 0.00 33.84 33.73 1dpt n VAL 66 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 1dpt n VAL 67 N 1.18 1.76 0.19 3.34 0.24 -1.26 -4.72 118.33 119.06 1dpt n VAL 67 Ca 0.14 -3.06 0.08 0.00 -2.04 0.00 0.00 64.34 59.45 1dpt n VAL 67 Cb 0.52 -0.05 0.14 0.00 -1.47 0.00 0.00 33.84 32.98 1dpt n VAL 67 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dpt n GLY 68 N -0.63 1.44 3.21 7.63 0.00 -1.26 -4.43 105.19 111.15 1dpt n GLY 68 Ca 0.22 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 1dpt n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dpt s THR 69 N -1.15 1.04 0.18 2.61 -4.23 -1.26 -5.05 115.64 107.79 1dpt s THR 69 Ca 0.26 -1.80 -0.11 0.00 -1.18 0.00 0.00 61.69 58.86 1dpt s THR 69 Cb 0.15 -1.56 0.09 0.00 1.34 0.00 0.00 72.50 72.53 1dpt s THR 69 CO 0.21 -0.62 1.73 0.00 -0.54 0.00 0.00 174.62 175.40 1dpt h ALA 70 N 3.27 0.84 -0.55 3.99 0.00 -1.98 -1.37 119.26 123.46 1dpt h ALA 70 Ca -0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 1dpt h ALA 70 Cb 1.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1dpt h ALA 70 CO 0.57 0.47 0.17 0.93 0.00 0.00 0.00 179.25 181.39 1dpt h GLU 71 N 0.91 0.85 -0.08 0.00 3.07 -1.99 0.52 114.58 117.87 1dpt h GLU 71 Ca 0.21 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.36 58.88 1dpt h GLU 71 Cb 0.23 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1dpt h GLU 71 CO -0.01 0.78 0.02 -0.44 -1.40 0.00 0.00 179.01 177.95 1dpt h ASP 72 N 0.76 0.12 0.49 1.42 3.32 -1.88 -3.07 116.42 117.59 1dpt h ASP 72 Ca 0.18 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1dpt h ASP 72 Cb 0.28 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1dpt h ASP 72 CO -0.01 0.33 -0.24 0.78 -1.72 0.00 0.00 179.24 178.38 1dpt h ASN 73 N -0.10 0.00 -0.54 6.45 2.35 -1.09 -1.80 115.58 120.86 1dpt h ASN 73 Ca 0.02 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1dpt h ASN 73 Cb 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1dpt h ASN 73 CO 0.00 0.24 0.15 -0.09 -1.65 0.00 0.00 177.43 176.08 1dpt h ARG 74 N 0.00 0.84 -0.14 0.81 2.43 -0.82 0.75 114.38 118.25 1dpt h ARG 74 Ca -0.00 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.97 1dpt h ARG 74 Cb 0.56 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1dpt h ARG 74 CO 0.03 0.79 0.05 0.77 -1.51 0.00 0.00 179.97 180.09 1dpt h SER 75 N 0.75 0.20 -0.49 -3.80 0.02 -1.32 -2.01 113.55 106.91 1dpt h SER 75 Ca 0.17 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1dpt h SER 75 Cb 0.31 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 1dpt h SER 75 CO -0.00 0.35 0.31 0.45 -1.14 0.00 0.00 176.83 176.80 1dpt h HIS 76 N 0.05 0.59 -0.29 3.45 3.86 -1.21 -2.87 115.15 118.73 1dpt h HIS 76 Ca 0.05 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1dpt h HIS 76 Cb 0.21 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1dpt h HIS 76 CO -0.00 0.37 0.04 1.03 0.86 0.00 0.00 177.93 180.23 1dpt h SER 77 N 0.64 -0.02 -0.62 2.45 0.87 -0.68 -0.36 113.55 115.82 1dpt h SER 77 Ca 0.18 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.86 1dpt h SER 77 Cb -0.05 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 61.93 1dpt h SER 77 CO -0.05 0.02 0.32 0.00 -0.53 0.00 0.00 176.83 176.60 1dpt h ALA 78 N 1.22 0.82 -0.34 6.23 0.00 -1.16 -0.32 119.26 125.72 1dpt h ALA 78 Ca 0.14 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1dpt h ALA 78 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dpt h ALA 78 CO -0.19 -0.02 -0.13 0.45 0.00 0.00 0.00 179.25 179.35 1dpt h HIS 79 N 0.60 0.78 -0.45 0.00 3.86 -1.25 -2.37 115.15 116.32 1dpt h HIS 79 Ca 0.28 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 59.20 1dpt h HIS 79 Cb 0.21 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1dpt h HIS 79 CO -0.10 0.88 -0.15 0.74 0.86 0.00 0.00 177.93 180.17 1dpt h PHE 80 N 0.46 0.93 -0.59 2.45 0.04 -0.70 -1.42 116.94 118.11 1dpt h PHE 80 Ca 0.08 -0.19 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 1dpt h PHE 80 Cb 0.66 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 1dpt h PHE 80 CO 0.06 0.92 0.11 0.74 -0.60 0.00 0.00 178.31 179.54 1dpt h PHE 81 N 0.75 1.02 -0.68 -0.55 -1.00 -1.04 -0.39 116.94 115.04 1dpt h PHE 81 Ca 0.12 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1dpt h PHE 81 Cb 0.66 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 1dpt h PHE 81 CO 0.04 0.88 0.40 1.49 -1.61 0.00 0.00 178.31 179.50 1dpt h GLU 82 N 0.86 0.93 -0.07 1.51 4.57 -1.21 -1.05 114.58 120.12 1dpt h GLU 82 Ca 0.18 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1dpt h GLU 82 Cb 0.39 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1dpt h GLU 82 CO 0.01 0.67 -0.09 0.35 -1.18 0.00 0.00 179.01 178.77 1dpt h PHE 83 N 0.93 0.22 -0.44 0.92 3.57 -1.06 -3.25 116.94 117.83 1dpt h PHE 83 Ca 0.24 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 1dpt h PHE 83 Cb -0.01 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 1dpt h PHE 83 CO -0.01 0.65 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.36 1dpt h LEU 84 N -0.27 1.00 -0.89 0.59 3.38 -1.00 -1.69 115.31 116.43 1dpt h LEU 84 Ca 0.01 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1dpt h LEU 84 Cb 0.62 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1dpt h LEU 84 CO 0.02 1.21 0.59 0.71 0.09 0.00 0.00 178.44 181.06 1dpt h THR 85 N 0.81 1.21 0.04 0.22 1.35 -1.32 -0.16 112.91 115.07 1dpt h THR 85 Ca 0.09 -0.41 -0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1dpt h THR 85 Cb 0.88 -0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1dpt h THR 85 CO 0.08 0.22 -0.02 0.50 -0.25 0.00 0.00 175.52 176.05 1dpt h LYS 86 N 1.19 -0.06 -0.42 4.72 3.64 -1.56 -0.09 116.57 124.00 1dpt h LYS 86 Ca 0.33 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1dpt h LYS 86 Cb -0.11 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1dpt h LYS 86 CO -0.08 0.33 0.25 0.93 -2.27 0.00 0.00 179.45 178.61 1dpt h GLU 87 N -0.46 0.57 -0.01 1.90 4.39 -1.10 -3.14 114.58 116.73 1dpt h GLU 87 Ca -0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1dpt h GLU 87 Cb 0.41 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1dpt h GLU 87 CO 0.01 0.43 -0.33 1.28 -1.16 0.00 0.00 179.01 179.24 1dpt n LEU 88 N -4.75 1.57 -3.55 1.33 4.77 -0.09 -4.73 117.00 111.55 1dpt n LEU 88 Ca 0.01 -0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 55.27 1dpt n LEU 88 Cb 0.06 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1dpt n LEU 88 CO 0.35 0.29 0.01 0.00 -1.33 0.00 0.00 177.39 176.72 1dpt n ALA 89 N -0.26 -2.08 -2.46 -1.18 0.00 -0.09 -5.00 120.51 109.44 1dpt n ALA 89 Ca 0.11 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 1dpt n ALA 89 Cb 0.41 -2.52 -0.12 0.00 0.00 0.00 0.00 19.45 17.22 1dpt n ALA 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dpt s LEU 90 N -6.43 2.38 0.69 0.00 1.43 -0.93 -5.05 118.68 110.76 1dpt s LEU 90 Ca 0.05 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 1dpt s LEU 90 Cb -0.01 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1dpt s LEU 90 CO 0.77 0.06 1.07 -0.83 0.23 0.00 0.00 176.35 177.66 1dpt s GLY 91 N -2.35 1.64 0.52 -3.19 0.00 -1.26 -4.52 107.32 98.17 1dpt s GLY 91 Ca 0.14 -0.20 0.17 0.00 0.00 0.00 0.00 44.72 44.83 1dpt s GLY 91 CO 0.07 0.13 2.13 1.46 0.00 0.00 0.00 173.10 176.89 1dpt h GLN 92 N -0.59 0.00 0.00 2.90 4.20 -1.95 -1.15 115.11 118.51 1dpt h GLN 92 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1dpt h GLN 92 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1dpt h GLN 92 CO 0.62 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.38 1dpt n ASP 93 N -4.50 0.00 -1.16 1.46 5.75 -1.26 -3.37 116.55 113.47 1dpt n ASP 93 Ca -0.01 0.06 0.08 0.00 -0.01 0.00 0.00 54.79 54.91 1dpt n ASP 93 Cb 0.15 -0.33 0.28 0.00 -1.03 0.00 0.00 41.12 40.20 1dpt n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dpt n ARG 94 N -1.33 3.36 -4.31 0.11 5.12 -0.43 -4.94 116.66 114.24 1dpt n ARG 94 Ca 0.10 -2.70 -0.18 0.00 -1.93 0.00 0.00 57.85 53.14 1dpt n ARG 94 Cb 0.20 -1.76 -0.15 0.00 -1.16 0.00 0.00 32.46 29.60 1dpt n ARG 94 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1dpt s ILE 95 N -2.04 0.63 0.02 0.55 1.01 -1.22 -1.24 121.20 118.91 1dpt s ILE 95 Ca 0.42 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.74 1dpt s ILE 95 Cb 0.29 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 1dpt s ILE 95 CO 0.17 0.18 -0.06 -0.76 0.00 0.00 0.00 174.94 174.47 1dpt s LEU 96 N -0.17 2.14 0.04 2.97 1.43 -1.11 -5.02 118.68 118.97 1dpt s LEU 96 Ca 0.03 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1dpt s LEU 96 Cb -0.03 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 1dpt s LEU 96 CO -0.00 -0.10 -0.22 -0.63 0.23 0.00 0.00 176.35 175.63 1dpt s ILE 97 N -0.82 1.77 -0.04 -0.59 1.01 -1.26 -1.20 121.20 120.07 1dpt s ILE 97 Ca -0.06 -1.25 0.04 0.00 0.00 0.00 0.00 60.65 59.39 1dpt s ILE 97 Cb -0.06 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 1dpt s ILE 97 CO -0.00 0.24 -0.16 -0.13 0.00 0.00 0.00 174.94 174.88 1dpt s ARG 98 N -1.20 1.74 -0.11 2.79 0.52 -0.07 -4.97 118.95 117.64 1dpt s ARG 98 Ca 0.08 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.71 1dpt s ARG 98 Cb -0.09 -1.51 -0.02 0.00 0.52 0.00 0.00 34.95 33.85 1dpt s ARG 98 CO 0.02 0.22 -0.10 -0.06 0.02 0.00 0.00 175.30 175.40 1dpt s PHE 99 N 0.08 2.86 -0.21 -0.53 0.08 -1.26 -0.52 117.98 118.47 1dpt s PHE 99 Ca -0.04 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.63 1dpt s PHE 99 Cb -0.12 -1.80 0.06 0.00 -0.57 0.00 0.00 43.02 40.59 1dpt s PHE 99 CO 0.02 -0.00 0.00 -0.06 -0.10 0.00 0.00 175.22 175.08 1dpt s PHE 100 N -0.06 1.57 0.44 0.36 0.08 0.64 -4.97 117.98 116.05 1dpt s PHE 100 Ca -0.01 -1.22 -0.24 0.00 0.12 0.00 0.00 56.93 55.58 1dpt s PHE 100 Cb -0.14 -1.25 -0.08 0.00 -0.57 0.00 0.00 43.02 40.99 1dpt s PHE 100 CO 0.03 -0.68 1.21 -2.14 -0.10 0.00 0.00 175.22 173.55 1dpt s PRO 101 N 1.67 3.85 0.21 0.24 0.02 -1.26 -2.32 135.00 137.41 1dpt s PRO 101 Ca -0.03 1.92 0.08 0.00 0.02 0.00 0.00 61.00 62.99 1dpt s PRO 101 Cb -0.18 -2.56 -0.05 0.00 0.02 0.00 0.00 34.50 31.73 1dpt s PRO 101 CO -0.07 -0.52 -0.15 -0.51 -0.33 0.00 0.00 177.00 175.42 1dpt s LEU 102 N -2.76 2.56 0.22 -5.54 1.43 -0.13 -4.84 118.68 109.62 1dpt s LEU 102 Ca 0.61 -1.02 0.11 0.00 -1.03 0.00 0.00 54.13 52.80 1dpt s LEU 102 Cb -0.32 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1dpt s LEU 102 CO 0.40 -0.16 -0.19 -1.61 0.23 0.00 0.00 176.35 175.02 1dpt s GLU 103 N -3.63 1.71 0.53 1.70 2.02 -1.26 -4.22 118.70 115.55 1dpt s GLU 103 Ca 0.23 -1.54 0.21 0.00 0.02 0.00 0.00 54.97 53.88 1dpt s GLU 103 Cb -0.01 -1.90 1.36 0.00 0.10 0.00 0.00 34.13 33.68 1dpt s GLU 103 CO 0.07 0.38 2.08 0.66 0.02 0.00 0.00 175.26 178.48 1dpt h SER 104 N 2.79 0.00 0.45 -0.19 4.64 -1.96 -0.97 113.55 118.32 1dpt h SER 104 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1dpt h SER 104 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1dpt h SER 104 CO 0.53 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.82 1dpt n TRP 105 N -4.41 0.00 1.10 4.77 4.27 -1.26 -2.97 117.44 118.94 1dpt n TRP 105 Ca 0.03 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.76 1dpt n TRP 105 Cb 0.33 -0.30 0.17 0.00 -1.36 0.00 0.00 31.31 30.14 1dpt n TRP 105 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1dpt n GLN 106 N -1.30 0.74 -3.98 -2.67 6.02 -0.37 -4.87 117.38 110.95 1dpt n GLN 106 Ca 0.10 -0.53 -0.34 0.00 -0.01 0.00 0.00 57.00 56.22 1dpt n GLN 106 Cb 0.19 -1.49 -0.15 0.00 1.02 0.00 0.00 30.24 29.81 1dpt n GLN 106 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1dpt s ILE 107 N -2.63 2.89 -0.19 5.09 1.01 -1.16 -5.02 121.20 121.20 1dpt s ILE 107 Ca 0.18 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.93 1dpt s ILE 107 Cb 0.18 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1dpt s ILE 107 CO 0.61 0.40 0.45 -0.83 0.00 0.00 0.00 174.94 175.57 1dpt s GLY 108 N 1.39 2.13 -0.01 6.18 0.00 -1.26 -1.22 107.32 114.53 1dpt s GLY 108 Ca 0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 1dpt s GLY 108 CO -0.06 0.89 0.03 1.25 0.00 0.00 0.00 173.10 175.21 1dpt s LYS 109 N 1.30 0.02 -1.37 2.90 2.20 -0.21 -4.90 119.74 119.67 1dpt s LYS 109 Ca 0.22 0.07 -0.04 0.00 -0.36 0.00 0.00 55.97 55.85 1dpt s LYS 109 Cb -0.15 -0.03 0.04 0.00 -1.51 0.00 0.00 37.83 36.19 1dpt s LYS 109 CO 0.09 -0.03 0.11 0.44 -0.36 0.00 0.00 175.35 175.60 1dpt n ILE 110 N 3.25 -0.66 -0.86 5.43 -5.35 -1.26 -1.15 119.36 118.76 1dpt n ILE 110 Ca -0.15 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1dpt n ILE 110 Cb 0.58 -0.75 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 1dpt n ILE 110 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dpt n GLY 111 N -2.04 0.87 0.00 3.28 0.00 -1.26 -4.98 105.19 101.06 1dpt n GLY 111 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1dpt n GLY 111 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dpt n THR 112 N -2.13 0.00 -4.38 2.61 5.66 -0.30 -5.16 114.28 110.58 1dpt n THR 112 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 1dpt n THR 112 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 1dpt n THR 112 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1dpt s VAL 113 N -0.87 1.97 0.46 1.08 -7.23 -1.26 -1.05 120.40 113.50 1dpt s VAL 113 Ca 0.00 -2.18 0.39 0.00 -1.81 0.00 0.00 61.98 58.38 1dpt s VAL 113 Cb 0.00 -2.06 0.40 0.00 0.56 0.00 0.00 36.38 35.28 1dpt s VAL 113 CO 0.00 -0.46 2.21 0.24 -0.31 0.00 0.00 175.10 176.78 1dpt h MET 114 N 2.68 0.00 -0.02 4.82 0.00 -1.05 -1.87 114.93 119.49 1dpt h MET 114 Ca -0.40 0.00 0.01 0.00 0.00 0.00 0.00 59.70 59.31 1dpt h MET 114 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.83 1dpt h MET 114 CO 0.58 0.00 0.01 1.15 0.00 0.00 0.00 176.91 178.66 1dpt h THR 115 N 0.00 0.94 -0.53 2.22 2.02 -1.84 -1.86 112.91 113.87 1dpt h THR 115 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1dpt h THR 115 Cb 0.02 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1dpt h THR 115 CO 0.00 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.38 1dpt n PHE 116 N -4.47 1.37 -0.15 3.16 3.72 -0.70 -5.07 117.46 115.33 1dpt n PHE 116 Ca -0.03 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 1dpt n PHE 116 Cb 0.11 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1dpt n PHE 116 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99