#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de3 s VAL 2 N 0.00 4.09 -0.67 0.00 1.01 -1.26 -4.81 120.40 118.76 1de3 s VAL 2 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 1de3 s VAL 2 Cb 0.00 -3.63 0.17 0.00 0.00 0.00 0.00 36.38 32.93 1de3 s VAL 2 CO 0.00 -0.71 0.51 -0.89 0.00 0.00 0.00 175.10 174.01 1de3 s THR 3 N -3.05 3.98 -0.48 3.92 2.01 -1.26 -0.31 115.64 120.46 1de3 s THR 3 Ca 0.54 -2.99 -0.28 0.00 0.31 0.00 0.00 61.69 59.27 1de3 s THR 3 Cb -0.11 -3.56 0.03 0.00 0.01 0.00 0.00 72.50 68.87 1de3 s THR 3 CO 0.48 -0.91 1.06 0.26 -0.69 0.00 0.00 174.62 174.82 1de3 s TRP 4 N -0.16 2.84 -0.08 4.92 0.52 0.24 -4.04 118.94 123.19 1de3 s TRP 4 Ca 0.18 0.58 0.01 0.00 0.02 0.00 0.00 56.10 56.89 1de3 s TRP 4 Cb -0.18 -4.28 -0.03 0.00 -1.15 0.00 0.00 33.47 27.83 1de3 s TRP 4 CO -0.05 -1.23 -0.08 0.99 0.02 0.00 0.00 176.95 176.61 1de3 s THR 5 N 4.23 3.59 0.03 2.01 2.01 -0.93 -0.12 115.64 126.46 1de3 s THR 5 Ca 0.44 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 61.99 1de3 s THR 5 Cb -0.08 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 1de3 s THR 5 CO 0.30 0.59 -0.19 0.00 -0.69 0.00 0.00 174.62 174.62 1de3 s LEU 7 N -0.97 5.79 0.37 0.00 1.43 -1.26 0.06 118.68 124.11 1de3 s LEU 7 Ca 0.07 -3.61 -0.12 0.00 -1.03 0.00 0.00 54.13 49.43 1de3 s LEU 7 Cb -0.08 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 1de3 s LEU 7 CO 0.01 -0.23 0.76 0.20 0.23 0.00 0.00 176.35 177.32 1de3 s ASN 8 N 0.37 6.62 0.08 2.29 -0.87 -1.04 -4.68 114.94 117.72 1de3 s ASN 8 Ca 0.27 1.20 -0.10 0.00 -1.57 0.00 0.00 52.86 52.66 1de3 s ASN 8 Cb -0.09 -2.35 -0.06 0.00 -0.02 0.00 0.00 41.25 38.74 1de3 s ASN 8 CO -0.11 -0.33 0.40 -0.62 -2.57 0.00 0.00 177.10 173.88 1de3 s ASP 9 N -2.80 6.65 -0.16 -1.22 2.15 -1.26 -0.94 116.67 119.10 1de3 s ASP 9 Ca 0.53 0.80 -0.03 0.00 0.43 0.00 0.00 52.55 54.28 1de3 s ASP 9 Cb -0.10 -2.18 0.05 0.00 -0.30 0.00 0.00 42.92 40.39 1de3 s ASP 9 CO 0.26 0.18 0.04 -1.10 -0.17 0.00 0.00 175.17 174.37 1de3 s GLN 10 N -1.88 0.54 -1.03 4.34 -0.21 0.13 -0.05 119.66 121.51 1de3 s GLN 10 Ca 0.33 -0.22 -0.21 0.00 0.02 0.00 0.00 55.36 55.28 1de3 s GLN 10 Cb -0.14 -1.75 0.08 0.00 1.00 0.00 0.00 33.01 32.20 1de3 s GLN 10 CO 0.18 -0.55 1.38 0.21 -2.12 0.00 0.00 175.29 174.39 1de3 s LYS 11 N 1.94 3.65 0.06 2.91 2.20 -1.26 -0.87 119.74 128.37 1de3 s LYS 11 Ca 0.01 -1.45 -0.31 0.00 -0.36 0.00 0.00 55.97 53.87 1de3 s LYS 11 Cb -0.16 -5.24 -0.08 0.00 -1.51 0.00 0.00 37.83 30.85 1de3 s LYS 11 CO -0.07 -2.07 1.55 1.21 -0.36 0.00 0.00 175.35 175.61 1de3 s ASN 12 N 4.43 6.69 0.38 1.43 2.47 -0.25 -4.86 114.94 125.23 1de3 s ASN 12 Ca 0.43 2.38 0.19 0.00 0.42 0.00 0.00 52.86 56.27 1de3 s ASN 12 Cb -0.01 -2.57 0.71 0.00 -1.45 0.00 0.00 41.25 37.94 1de3 s ASN 12 CO -0.08 -0.81 1.75 1.55 -3.72 0.00 0.00 177.10 175.79 1de3 h PRO 13 N 7.89 0.00 -0.10 0.43 0.13 -1.94 0.14 132.00 138.55 1de3 h PRO 13 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1de3 h PRO 13 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1de3 h PRO 13 CO 0.91 0.36 0.06 -0.22 -0.23 0.00 0.00 178.00 178.88 1de3 h LYS 14 N 0.00 0.12 -0.02 0.86 1.63 -1.96 -2.95 116.57 114.25 1de3 h LYS 14 Ca -0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1de3 h LYS 14 Cb 0.86 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 1de3 h LYS 14 CO 0.05 0.08 -0.37 0.25 -3.45 0.00 0.00 179.45 176.01 1de3 n THR 15 N -5.03 0.00 -2.61 1.00 -2.24 -1.22 -4.97 114.28 99.22 1de3 n THR 15 Ca -0.05 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.35 1de3 n THR 15 Cb 0.04 1.27 -0.01 0.00 -2.10 0.00 0.00 70.33 69.53 1de3 n THR 15 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1de3 n ASN 16 N 0.24 -2.31 -4.25 3.42 5.15 0.47 -4.91 115.26 113.08 1de3 n ASN 16 Ca 0.10 0.26 -0.21 0.00 -0.60 0.00 0.00 54.58 54.14 1de3 n ASN 16 Cb 0.49 -2.04 -0.12 0.00 -0.53 0.00 0.00 39.78 37.58 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1de3 s LYS 17 N -5.16 1.02 -0.19 1.20 2.20 -1.04 -4.91 119.74 112.87 1de3 s LYS 17 Ca 0.06 -1.15 -0.14 0.00 -0.36 0.00 0.00 55.97 54.38 1de3 s LYS 17 Cb -0.03 -1.09 -0.04 0.00 -1.51 0.00 0.00 37.83 35.15 1de3 s LYS 17 CO 0.07 0.24 0.30 0.71 -0.36 0.00 0.00 175.35 176.31 1de3 s TYR 18 N -1.54 3.41 0.11 4.03 2.02 -1.26 -1.09 117.35 123.04 1de3 s TYR 18 Ca 0.05 0.53 0.09 0.00 -0.37 0.00 0.00 57.07 57.37 1de3 s TYR 18 Cb -0.08 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 1de3 s TYR 18 CO 0.04 0.14 -0.22 -1.21 -1.57 0.00 0.00 175.55 172.73 1de3 s GLU 19 N 0.81 1.18 -0.62 -0.62 2.02 -0.05 -4.89 118.70 116.55 1de3 s GLU 19 Ca 0.15 -1.22 -0.11 0.00 0.02 0.00 0.00 54.97 53.81 1de3 s GLU 19 Cb -0.13 -1.46 0.16 0.00 0.10 0.00 0.00 34.13 32.79 1de3 s GLU 19 CO 0.05 0.34 0.52 0.99 0.02 0.00 0.00 175.26 177.17 1de3 s THR 20 N -1.25 4.77 0.56 3.63 2.01 -1.26 0.21 115.64 124.31 1de3 s THR 20 Ca 0.09 -2.11 -0.09 0.00 0.31 0.00 0.00 61.69 59.88 1de3 s THR 20 Cb -0.10 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1de3 s THR 20 CO 0.05 -0.89 0.94 -0.54 -0.69 0.00 0.00 174.62 173.49 1de3 s LYS 21 N 0.83 3.60 -0.49 4.92 -0.14 -0.12 -4.90 119.74 123.45 1de3 s LYS 21 Ca 0.11 0.57 -0.07 0.00 -1.36 0.00 0.00 55.97 55.22 1de3 s LYS 21 Cb -0.21 -2.19 0.13 0.00 -1.68 0.00 0.00 37.83 33.87 1de3 s LYS 21 CO -0.03 -0.42 0.34 1.03 -0.76 0.00 0.00 175.35 175.51 1de3 s ARG 22 N -4.94 2.41 -0.77 1.68 0.52 -1.26 -2.49 118.95 114.09 1de3 s ARG 22 Ca 0.53 -1.91 -0.21 0.00 -0.52 0.00 0.00 55.73 53.61 1de3 s ARG 22 Cb -0.11 -3.83 0.09 0.00 0.52 0.00 0.00 34.95 31.62 1de3 s ARG 22 CO 0.49 -1.16 1.05 -0.51 0.02 0.00 0.00 175.30 175.19 1de3 s LEU 23 N 1.06 4.53 -0.12 2.53 1.02 0.11 -4.92 118.68 122.90 1de3 s LEU 23 Ca 0.08 -1.37 -0.24 0.00 0.02 0.00 0.00 54.13 52.63 1de3 s LEU 23 Cb -0.24 -2.42 -0.03 0.00 0.02 0.00 0.00 46.19 43.52 1de3 s LEU 23 CO -0.02 -1.33 0.75 -0.22 0.02 0.00 0.00 176.35 175.55 1de3 s LEU 24 N 3.69 4.24 -0.02 1.79 1.98 -1.26 -0.16 118.68 128.94 1de3 s LEU 24 Ca 0.27 1.16 0.07 0.00 -2.89 0.00 0.00 54.13 52.74 1de3 s LEU 24 Cb -0.12 -3.14 -0.02 0.00 0.66 0.00 0.00 46.19 43.58 1de3 s LEU 24 CO 0.02 -0.25 -0.22 -0.31 -1.89 0.00 0.00 176.35 173.70 1de3 s TYR 25 N 1.46 2.45 -0.23 5.38 1.51 0.83 -4.71 117.35 124.05 1de3 s TYR 25 Ca 0.37 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 55.91 1de3 s TYR 25 Cb -0.17 -1.52 -0.03 0.00 -0.11 0.00 0.00 41.96 40.12 1de3 s TYR 25 CO 0.15 0.06 0.50 1.21 -1.11 0.00 0.00 175.55 176.36 1de3 s ASN 26 N -0.76 6.49 0.65 2.29 2.47 -1.26 -0.59 114.94 124.23 1de3 s ASN 26 Ca 0.11 0.59 0.36 0.00 0.42 0.00 0.00 52.86 54.34 1de3 s ASN 26 Cb -0.10 -2.28 2.01 0.00 -1.45 0.00 0.00 41.25 39.43 1de3 s ASN 26 CO 0.00 -0.21 2.17 -0.61 -3.72 0.00 0.00 177.10 174.73 1de3 h GLN 27 N 7.68 0.00 0.34 0.43 -0.00 -0.98 -1.51 115.11 121.07 1de3 h GLN 27 Ca -0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.31 1de3 h GLN 27 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.63 1de3 h GLN 27 CO 0.73 0.00 -0.16 -0.97 0.00 0.00 0.00 178.83 178.42 1de3 h ASN 28 N 0.00 -0.38 -0.10 -0.69 -0.73 -1.90 0.44 115.58 112.21 1de3 h ASN 28 Ca 0.02 0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.23 1de3 h ASN 28 Cb 0.32 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 1de3 h ASN 28 CO -0.00 -0.20 0.16 0.11 -0.37 0.00 0.00 177.43 177.13 1de3 h LYS 29 N -0.61 0.00 0.18 6.67 6.56 -1.85 0.33 116.57 127.85 1de3 h LYS 29 Ca -0.05 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1de3 h LYS 29 Cb 0.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 1de3 h LYS 29 CO 0.08 0.00 -0.08 0.00 -2.06 0.00 0.00 179.45 177.38 1de3 h ALA 30 N 1.79 -0.32 -0.11 3.86 0.00 -0.98 0.40 119.26 123.88 1de3 h ALA 30 Ca 0.05 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1de3 h ALA 30 Cb 0.36 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1de3 h ALA 30 CO -0.00 -0.30 0.17 1.05 0.00 0.00 0.00 179.25 180.16 1de3 h GLU 31 N -0.73 0.00 0.16 0.00 -0.00 0.33 -0.96 114.58 113.38 1de3 h GLU 31 Ca -0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 59.36 58.98 1de3 h GLU 31 Cb 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.93 1de3 h GLU 31 CO 0.04 0.00 -1.87 1.03 -0.00 0.00 0.00 179.01 178.21 1de3 h SER 32 N 0.00 0.53 -0.26 3.06 0.87 -0.40 -3.20 113.55 114.15 1de3 h SER 32 Ca 0.05 -0.95 0.01 0.00 -1.23 0.00 0.00 61.79 59.67 1de3 h SER 32 Cb 0.39 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1de3 h SER 32 CO -0.00 1.83 0.16 0.78 -0.53 0.00 0.00 176.83 179.06 1de3 h ASN 33 N 0.09 0.26 -0.66 6.23 4.21 0.39 0.10 115.58 126.21 1de3 h ASN 33 Ca -0.38 -0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.16 1de3 h ASN 33 Cb 2.07 -0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 39.18 1de3 h ASN 33 CO 0.14 0.19 0.43 0.77 -1.29 0.00 0.00 177.43 177.67 1de3 h SER 34 N 0.32 0.67 1.46 5.81 4.64 -1.37 0.15 113.55 125.23 1de3 h SER 34 Ca 0.10 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1de3 h SER 34 Cb -0.01 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1de3 h SER 34 CO -0.04 0.46 0.00 0.45 -0.87 0.00 0.00 176.83 176.83 1de3 h HIS 35 N 0.77 0.00 0.00 4.77 3.86 -1.28 -2.25 115.15 121.03 1de3 h HIS 35 Ca 0.26 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 1de3 h HIS 35 Cb 0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1de3 h HIS 35 CO -0.00 0.00 -1.32 0.72 0.86 0.00 0.00 177.93 178.19 1de3 n HIS 36 N -2.62 0.77 -3.14 2.45 -0.00 0.25 -4.92 115.22 108.02 1de3 n HIS 36 Ca 0.04 0.23 -0.37 0.00 -0.00 0.00 0.00 57.72 57.62 1de3 n HIS 36 Cb 0.41 -0.91 -0.06 0.00 -0.00 0.00 0.00 29.99 29.43 1de3 n HIS 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1de3 s ALA 37 N -3.26 3.47 0.46 -1.41 0.00 -0.07 -5.07 121.76 115.88 1de3 s ALA 37 Ca -0.03 0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.85 1de3 s ALA 37 Cb 0.10 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.36 1de3 s ALA 37 CO 0.82 0.35 1.12 -1.25 0.00 0.00 0.00 175.76 176.80 1de3 s PRO 38 N -1.68 3.79 -1.15 0.00 0.04 -1.26 -4.92 135.00 129.83 1de3 s PRO 38 Ca 0.39 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.93 1de3 s PRO 38 Cb -0.18 -2.36 0.15 0.00 0.04 0.00 0.00 34.50 32.15 1de3 s PRO 38 CO 0.21 -0.49 1.39 -0.51 0.04 0.00 0.00 177.00 177.64 1de3 s LEU 39 N -3.08 4.89 -0.30 -3.56 1.43 -1.26 -4.29 118.68 112.51 1de3 s LEU 39 Ca 0.64 -2.68 -0.12 0.00 -1.03 0.00 0.00 54.13 50.94 1de3 s LEU 39 Cb -0.25 -2.42 0.15 0.00 0.03 0.00 0.00 46.19 43.69 1de3 s LEU 39 CO 0.31 -0.88 0.79 -0.94 0.23 0.00 0.00 176.35 175.86 1de3 s SER 40 N 3.21 -0.91 0.20 2.29 1.04 -1.26 -4.96 113.70 113.31 1de3 s SER 40 Ca 0.42 1.20 -0.31 0.00 0.48 0.00 0.00 55.95 57.74 1de3 s SER 40 Cb -0.03 2.02 -0.10 0.00 0.10 0.00 0.00 66.02 68.01 1de3 s SER 40 CO -0.02 -0.17 1.48 -0.62 0.98 0.00 0.00 173.24 174.89 1de3 s ASP 41 N 2.72 6.65 -0.81 7.02 2.15 -1.15 -3.86 116.67 129.38 1de3 s ASP 41 Ca -0.03 2.61 -0.16 0.00 0.43 0.00 0.00 52.55 55.40 1de3 s ASP 41 Cb -0.10 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 39.94 1de3 s ASP 41 CO -0.18 -0.74 0.50 0.61 -0.17 0.00 0.00 175.17 175.18 1de3 n GLY 42 N 2.93 -0.81 1.19 2.66 0.00 -1.19 -4.47 105.19 105.51 1de3 n GLY 42 Ca 0.10 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.48 1de3 n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1de3 n LYS 43 N -3.29 0.00 -4.19 1.61 3.00 -1.25 -5.02 118.16 109.02 1de3 n LYS 43 Ca -0.16 -1.58 -0.15 0.00 -0.00 0.00 0.00 58.31 56.43 1de3 n LYS 43 Cb 0.48 -0.03 -0.08 0.00 0.00 0.00 0.00 35.03 35.40 1de3 n LYS 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1de3 s THR 44 N 0.00 0.00 0.00 3.15 2.01 -1.26 -5.01 115.64 114.53 1de3 s THR 44 Ca 0.21 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.33 1de3 s THR 44 Cb 0.24 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.26 1de3 s THR 44 CO -0.11 0.00 0.85 0.61 -0.69 0.00 0.00 174.62 175.28 1de3 n GLY 45 N -0.45 -2.86 0.00 4.40 0.00 -1.16 -1.69 105.19 103.43 1de3 n GLY 45 Ca 0.04 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.33 1de3 n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de3 n SER 46 N -1.85 0.00 0.00 1.61 3.41 -0.10 -3.98 113.62 112.71 1de3 n SER 46 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1de3 n SER 46 Cb 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1de3 n SER 46 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1de3 n SER 47 N -1.22 -2.59 -4.50 4.04 2.88 -0.68 -5.03 113.62 106.53 1de3 n SER 47 Ca 0.04 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.27 1de3 n SER 47 Cb 0.05 -0.43 -0.12 0.00 -0.75 0.00 0.00 64.21 62.96 1de3 n SER 47 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1de3 s TYR 48 N -2.00 2.67 -0.04 0.66 2.02 -1.26 -3.00 117.35 116.40 1de3 s TYR 48 Ca 0.00 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.22 1de3 s TYR 48 Cb 0.00 -1.53 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 1de3 s TYR 48 CO 0.00 0.27 1.07 -1.25 -1.57 0.00 0.00 175.55 174.07 1de3 s PRO 49 N -1.30 4.44 -0.01 -1.71 0.04 -1.26 -4.59 135.00 130.61 1de3 s PRO 49 Ca 0.15 1.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.54 1de3 s PRO 49 Cb -0.11 -3.50 -0.06 0.00 0.04 0.00 0.00 34.50 30.88 1de3 s PRO 49 CO 0.05 -0.27 0.45 -3.38 0.04 0.00 0.00 177.00 173.89 1de3 s HIS 50 N 1.69 3.70 -0.10 0.56 -3.43 -0.99 -3.15 115.29 113.55 1de3 s HIS 50 Ca 0.52 1.02 -0.35 0.00 -0.80 0.00 0.00 55.06 55.46 1de3 s HIS 50 Cb -0.22 -2.38 -0.13 0.00 -1.43 0.00 0.00 32.58 28.42 1de3 s HIS 50 CO 0.23 0.53 1.82 1.87 -2.00 0.00 0.00 174.74 177.19 1de3 n TRP 51 N 2.19 2.25 -2.71 0.38 -0.00 -1.26 -0.14 117.44 118.15 1de3 n TRP 51 Ca -0.12 0.14 -0.42 0.00 -0.00 0.00 0.00 57.50 57.10 1de3 n TRP 51 Cb 0.52 -2.61 -0.03 0.00 -0.00 0.00 0.00 31.31 29.19 1de3 n TRP 51 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1de3 s PHE 52 N 3.65 2.76 0.46 5.87 5.36 0.13 -4.77 117.98 131.44 1de3 s PHE 52 Ca 0.93 -1.04 0.36 0.00 -0.96 0.00 0.00 56.93 56.21 1de3 s PHE 52 Cb -0.77 -4.53 1.54 0.00 -0.34 0.00 0.00 43.02 38.92 1de3 s PHE 52 CO 0.53 -1.76 1.58 1.79 -1.46 0.00 0.00 175.22 175.91 1de3 h THR 53 N 6.39 0.02 -2.47 0.12 1.35 -1.86 -3.40 112.91 113.06 1de3 h THR 53 Ca 0.17 -0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.73 1de3 h THR 53 Cb 1.02 0.01 -0.07 0.00 -1.73 0.00 0.00 68.15 67.38 1de3 h THR 53 CO 1.29 0.00 -0.32 -3.20 -0.25 0.00 0.00 175.52 173.04 1de3 n ASN 54 N -4.59 -4.13 0.00 5.36 5.15 -1.26 -0.62 115.26 115.16 1de3 n ASN 54 Ca 0.41 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.64 1de3 n ASN 54 Cb 1.64 -3.64 0.00 0.00 -0.53 0.00 0.00 39.78 37.25 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1de3 n GLY 55 N -0.57 2.90 3.43 8.20 0.00 -1.26 -3.98 105.19 113.91 1de3 n GLY 55 Ca -0.16 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 1de3 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1de3 n TYR 56 N 0.00 -1.23 0.24 1.61 4.01 0.21 -4.51 117.16 117.49 1de3 n TYR 56 Ca 0.00 0.27 0.11 0.00 -0.16 0.00 0.00 57.90 58.12 1de3 n TYR 56 Cb 0.00 -1.83 -0.06 0.00 -0.31 0.00 0.00 39.34 37.14 1de3 n TYR 56 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1de3 n ASP 57 N -1.02 0.48 0.00 7.72 9.92 -1.07 -4.77 116.55 127.81 1de3 n ASP 57 Ca 0.08 -0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.33 1de3 n ASP 57 Cb 0.52 1.14 0.00 0.00 -0.64 0.00 0.00 41.12 42.14 1de3 n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de3 n GLY 58 N 1.28 0.85 1.41 0.44 0.00 -1.26 -5.03 105.19 102.87 1de3 n GLY 58 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1de3 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1de3 n ASP 59 N 0.00 0.00 0.00 1.61 2.03 -1.20 -4.00 116.55 114.99 1de3 n ASP 59 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1de3 n ASP 59 Cb 0.00 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1de3 n GLY 60 N -1.03 0.56 3.56 0.27 0.00 -1.26 -4.27 105.19 103.03 1de3 n GLY 60 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1de3 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1de3 s LYS 61 N 0.00 3.25 0.13 1.61 -2.85 -1.26 -4.87 119.74 115.75 1de3 s LYS 61 Ca 0.00 -0.50 0.03 0.00 -1.00 0.00 0.00 55.97 54.49 1de3 s LYS 61 Cb 0.00 -2.79 -0.04 0.00 -2.06 0.00 0.00 37.83 32.94 1de3 s LYS 61 CO 0.00 0.47 0.22 -0.51 0.10 0.00 0.00 175.35 175.63 1de3 s LEU 62 N -0.26 4.18 0.00 2.77 1.02 -1.26 -2.60 118.68 122.53 1de3 s LEU 62 Ca 0.04 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.30 1de3 s LEU 62 Cb -0.13 -2.77 0.00 0.00 0.02 0.00 0.00 46.19 43.31 1de3 s LEU 62 CO 0.02 0.09 0.00 -0.81 0.02 0.00 0.00 176.35 175.67 1de3 n PRO 63 N -0.26 -0.19 -2.83 1.29 -0.04 -1.26 -4.96 135.00 126.74 1de3 n PRO 63 Ca -0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.96 1de3 n PRO 63 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 1de3 n PRO 63 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1de3 s LYS 64 N -1.88 3.30 0.00 0.54 2.47 -1.26 -4.22 119.74 118.69 1de3 s LYS 64 Ca 0.00 -0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.08 1de3 s LYS 64 Cb 0.00 -4.07 0.00 0.00 -1.46 0.00 0.00 37.83 32.30 1de3 s LYS 64 CO 0.00 -1.53 0.00 0.41 0.16 0.00 0.00 175.35 174.39 1de3 n GLY 65 N 5.15 0.73 3.16 5.54 0.00 -1.26 -5.16 105.19 113.36 1de3 n GLY 65 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 1de3 n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1de3 s ARG 66 N -1.27 0.81 -0.39 1.61 1.81 -1.26 -5.13 118.95 115.14 1de3 s ARG 66 Ca 0.00 -1.24 0.03 0.00 -1.72 0.00 0.00 55.73 52.80 1de3 s ARG 66 Cb 0.00 -0.30 0.16 0.00 -0.45 0.00 0.00 34.95 34.35 1de3 s ARG 66 CO 0.00 0.02 0.37 -0.08 -0.68 0.00 0.00 175.30 174.92 1de3 s THR 67 N -3.11 -0.19 0.06 0.02 -1.32 -1.26 -5.10 115.64 104.74 1de3 s THR 67 Ca 0.08 -1.39 -0.31 0.00 -1.21 0.00 0.00 61.69 58.87 1de3 s THR 67 Cb 0.02 -0.79 -0.06 0.00 -1.51 0.00 0.00 72.50 70.15 1de3 s THR 67 CO -0.03 -0.72 1.33 -2.16 -2.21 0.00 0.00 174.62 170.83 1de3 s PRO 68 N 1.10 4.34 0.17 7.08 0.04 -1.26 -4.80 135.00 141.67 1de3 s PRO 68 Ca 0.21 1.93 -0.32 0.00 0.04 0.00 0.00 61.00 62.86 1de3 s PRO 68 Cb -0.13 -3.39 -0.11 0.00 0.04 0.00 0.00 34.50 30.91 1de3 s PRO 68 CO -0.05 -0.43 1.78 -0.89 0.04 0.00 0.00 177.00 177.46 1de3 n ILE 69 N 4.20 0.19 -3.05 0.56 5.41 -1.26 -4.92 119.36 120.48 1de3 n ILE 69 Ca 0.11 -0.03 -0.44 0.00 1.00 0.00 0.00 62.75 63.39 1de3 n ILE 69 Cb 0.44 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.31 1de3 n ILE 69 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1de3 n LYS 70 N 4.82 3.58 -0.40 0.38 2.85 -1.26 -4.84 118.16 123.29 1de3 n LYS 70 Ca 0.17 -4.14 0.32 0.00 -1.05 0.00 0.00 58.31 53.62 1de3 n LYS 70 Cb 0.36 -2.78 0.62 0.00 -0.65 0.00 0.00 35.03 32.58 1de3 n LYS 70 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 1de3 h PHE 71 N 6.63 0.48 0.00 5.58 -1.00 -1.95 -3.45 116.94 123.22 1de3 h PHE 71 Ca 0.26 0.02 0.00 0.00 2.81 0.00 0.00 57.97 61.06 1de3 h PHE 71 Cb 0.82 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.25 1de3 h PHE 71 CO 0.97 -0.07 0.00 0.41 -1.61 0.00 0.00 178.31 178.01 1de3 n GLY 72 N -1.56 1.46 3.69 -1.45 0.00 -1.26 -4.99 105.19 101.08 1de3 n GLY 72 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 1de3 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de3 s LYS 73 N -0.10 2.15 -0.10 1.61 -0.14 -1.26 -5.06 119.74 116.84 1de3 s LYS 73 Ca 0.00 -1.85 0.20 0.00 -1.36 0.00 0.00 55.97 52.96 1de3 s LYS 73 Cb 0.00 -1.92 -0.29 0.00 -1.68 0.00 0.00 37.83 33.94 1de3 s LYS 73 CO 0.00 -0.02 0.30 0.43 -0.76 0.00 0.00 175.35 175.30 1de3 n SER 74 N -1.11 0.17 -0.04 2.83 7.64 -1.26 -3.75 113.62 118.09 1de3 n SER 74 Ca -0.03 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.64 1de3 n SER 74 Cb 0.64 1.56 -0.13 0.00 -1.01 0.00 0.00 64.21 65.28 1de3 n SER 74 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1de3 h ASP 75 N 0.00 0.20 0.34 6.43 3.32 -1.97 -2.30 116.42 122.43 1de3 h ASP 75 Ca -0.22 -0.74 -0.07 0.00 0.02 0.00 0.00 57.03 56.02 1de3 h ASP 75 Cb 1.48 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 1de3 h ASP 75 CO 0.01 1.57 -0.34 0.00 -1.72 0.00 0.00 179.24 178.75 1de3 h ASP 77 N 0.01 0.00 -3.48 0.00 3.58 -1.70 -3.48 116.42 111.36 1de3 h ASP 77 Ca -0.00 -0.03 -0.50 0.00 0.42 0.00 0.00 57.03 56.92 1de3 h ASP 77 Cb 0.62 0.00 0.21 0.00 1.72 0.00 0.00 39.33 41.88 1de3 h ASP 77 CO 0.05 0.01 -0.28 -2.11 -2.88 0.00 0.00 179.24 174.03 1de3 n ARG 78 N -2.46 -1.02 -2.09 0.28 1.85 -0.55 -4.93 116.66 107.74 1de3 n ARG 78 Ca 0.05 -0.25 -0.43 0.00 -1.00 0.00 0.00 57.85 56.22 1de3 n ARG 78 Cb 0.46 -2.07 -0.03 0.00 -1.05 0.00 0.00 32.46 29.77 1de3 n ARG 78 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1de3 s PRO 79 N -4.10 3.74 0.06 2.89 0.04 -1.26 -4.97 135.00 131.40 1de3 s PRO 79 Ca 0.63 1.65 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 1de3 s PRO 79 Cb -0.21 -4.06 -0.05 0.00 0.04 0.00 0.00 34.50 30.22 1de3 s PRO 79 CO 0.64 -1.36 1.08 -1.25 0.04 0.00 0.00 177.00 176.14 1de3 s PRO 80 N 4.80 4.53 -1.08 0.56 0.04 -1.26 -4.86 135.00 137.73 1de3 s PRO 80 Ca 0.73 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 1de3 s PRO 80 Cb -0.25 -3.38 0.28 0.00 0.04 0.00 0.00 34.50 31.19 1de3 s PRO 80 CO 0.30 -0.08 1.14 1.17 0.04 0.00 0.00 177.00 179.57 1de3 n LYS 81 N 3.56 3.59 -2.64 4.56 4.81 -1.26 -3.25 118.16 127.52 1de3 n LYS 81 Ca 0.06 -4.48 -0.34 0.00 -0.87 0.00 0.00 58.31 52.68 1de3 n LYS 81 Cb 0.48 -2.52 -0.05 0.00 0.02 0.00 0.00 35.03 32.96 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1de3 s HIS 82 N -1.58 3.12 0.00 5.64 5.65 -1.26 -4.40 115.29 122.46 1de3 s HIS 82 Ca 0.31 1.59 0.00 0.00 0.25 0.00 0.00 55.06 57.21 1de3 s HIS 82 Cb -0.07 -3.00 0.00 0.00 -1.18 0.00 0.00 32.58 28.33 1de3 s HIS 82 CO -0.05 -0.58 0.00 0.45 -0.65 0.00 0.00 174.74 173.91 1de3 n SER 83 N -0.79 0.00 0.02 9.88 2.88 -1.26 -4.79 113.62 119.56 1de3 n SER 83 Ca 0.08 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.49 1de3 n SER 83 Cb 0.53 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 1de3 n SER 83 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1de3 h LYS 84 N 0.00 -0.09 -0.18 -1.46 1.79 -1.99 -3.35 116.57 111.29 1de3 h LYS 84 Ca 0.00 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1de3 h LYS 84 Cb 0.00 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 1de3 h LYS 84 CO 0.00 0.34 -0.05 -0.40 -1.08 0.00 0.00 179.45 178.26 1de3 n ASP 85 N -4.92 3.00 -4.00 0.86 5.75 -1.26 -4.99 116.55 110.99 1de3 n ASP 85 Ca -0.08 -3.24 -0.42 0.00 -0.01 0.00 0.00 54.79 51.03 1de3 n ASP 85 Cb 0.24 -0.52 0.02 0.00 -1.03 0.00 0.00 41.12 39.83 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de3 n GLY 86 N -0.96 -0.92 2.05 6.12 0.00 -1.26 -2.94 105.19 107.28 1de3 n GLY 86 Ca 0.22 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1de3 n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1de3 n ASN 87 N -2.25 -1.03 0.00 1.61 5.15 -1.26 -3.16 115.26 114.32 1de3 n ASN 87 Ca -0.14 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1de3 n ASN 87 Cb 0.58 1.12 0.00 0.00 -0.53 0.00 0.00 39.78 40.95 1de3 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1de3 n GLY 88 N 0.31 1.96 0.22 8.20 0.00 -1.26 -1.94 105.19 112.69 1de3 n GLY 88 Ca 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 46.02 46.34 1de3 n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1de3 n LYS 89 N 3.41 0.49 -2.86 1.61 4.81 -1.26 -4.91 118.16 119.44 1de3 n LYS 89 Ca 0.00 0.20 -0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1de3 n LYS 89 Cb 0.00 -1.34 0.05 0.00 0.02 0.00 0.00 35.03 33.76 1de3 n LYS 89 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1de3 n THR 90 N -4.24 -0.06 -1.60 3.15 5.66 -1.16 -5.13 114.28 110.91 1de3 n THR 90 Ca -0.27 -2.37 -0.46 0.00 -3.05 0.00 0.00 64.05 57.90 1de3 n THR 90 Cb 0.62 0.96 -0.03 0.00 -1.55 0.00 0.00 70.33 70.33 1de3 n THR 90 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1de3 n ASP 91 N 0.43 1.54 -0.82 1.09 -0.08 -0.82 -4.89 116.55 113.00 1de3 n ASP 91 Ca 0.11 1.16 0.01 0.00 -1.51 0.00 0.00 54.79 54.57 1de3 n ASP 91 Cb 0.68 -1.28 0.19 0.00 2.34 0.00 0.00 41.12 43.05 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1de3 n HIS 92 N 1.00 0.43 -0.44 -0.67 1.44 -1.26 -3.90 115.22 111.82 1de3 n HIS 92 Ca 0.12 -1.60 -0.01 0.00 -2.01 0.00 0.00 57.72 54.22 1de3 n HIS 92 Cb 0.29 -0.29 0.01 0.00 0.12 0.00 0.00 29.99 30.12 1de3 n HIS 92 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1de3 n TYR 93 N -1.07 -2.89 -4.78 -1.40 4.11 -1.26 -4.59 117.16 105.28 1de3 n TYR 93 Ca 0.23 -0.04 -0.33 0.00 -0.00 0.00 0.00 57.90 57.77 1de3 n TYR 93 Cb 0.75 -0.04 -0.15 0.00 -0.00 0.00 0.00 39.34 39.90 1de3 n TYR 93 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1de3 s LEU 94 N 0.00 2.64 0.11 -3.48 1.43 -1.26 -3.45 118.68 114.66 1de3 s LEU 94 Ca 0.03 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1de3 s LEU 94 Cb -0.00 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 1de3 s LEU 94 CO 0.02 0.15 0.06 -0.76 0.23 0.00 0.00 176.35 176.06 1de3 s LEU 95 N 0.41 3.67 -0.16 1.79 1.02 0.55 0.18 118.68 126.14 1de3 s LEU 95 Ca -0.11 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 53.93 1de3 s LEU 95 Cb -0.16 -2.35 0.02 0.00 0.02 0.00 0.00 46.19 43.73 1de3 s LEU 95 CO 0.05 0.15 -0.15 -0.70 0.02 0.00 0.00 176.35 175.72 1de3 s GLU 96 N -2.56 2.37 -0.05 1.70 2.12 0.81 -2.75 118.70 120.34 1de3 s GLU 96 Ca 0.28 -0.64 0.05 0.00 0.36 0.00 0.00 54.97 55.03 1de3 s GLU 96 Cb -0.11 -2.21 -0.02 0.00 0.26 0.00 0.00 34.13 32.04 1de3 s GLU 96 CO 0.21 -0.26 -0.19 0.12 -0.54 0.00 0.00 175.26 174.60 1de3 s PHE 97 N 1.45 2.56 -0.93 5.30 2.19 -0.84 -2.36 117.98 125.35 1de3 s PHE 97 Ca 0.04 -0.36 -0.24 0.00 0.33 0.00 0.00 56.93 56.70 1de3 s PHE 97 Cb -0.13 -1.60 -0.04 0.00 -1.31 0.00 0.00 43.02 39.94 1de3 s PHE 97 CO -0.11 0.03 1.89 -1.25 1.83 0.00 0.00 175.22 177.62 1de3 s PRO 98 N -0.54 2.67 -0.28 10.12 0.04 -1.26 -1.05 135.00 144.69 1de3 s PRO 98 Ca 0.07 -0.42 -0.26 0.00 0.04 0.00 0.00 61.00 60.44 1de3 s PRO 98 Cb -0.11 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1de3 s PRO 98 CO 0.01 -3.28 0.91 -0.08 0.04 0.00 0.00 177.00 174.60 1de3 s THR 99 N 9.57 4.73 0.23 1.26 -1.32 -1.15 -4.77 115.64 124.18 1de3 s THR 99 Ca 0.67 1.56 -0.15 0.00 -1.21 0.00 0.00 61.69 62.57 1de3 s THR 99 Cb -0.06 -4.22 -0.08 0.00 -1.51 0.00 0.00 72.50 66.63 1de3 s THR 99 CO -0.01 -0.23 0.64 -0.36 -2.21 0.00 0.00 174.62 172.44 1de3 s PHE 100 N 3.11 3.52 0.06 9.09 0.40 -1.26 -4.51 117.98 128.39 1de3 s PHE 100 Ca 0.38 1.13 -0.16 0.00 -0.60 0.00 0.00 56.93 57.69 1de3 s PHE 100 Cb -0.14 -2.44 -0.21 0.00 0.51 0.00 0.00 43.02 40.73 1de3 s PHE 100 CO 0.10 0.29 1.20 -1.00 0.70 0.00 0.00 175.22 176.51 1de3 h PRO 101 N 2.97 0.63 -1.40 0.24 0.13 -1.92 -3.02 132.00 129.64 1de3 h PRO 101 Ca -0.48 -0.63 0.41 0.00 -0.87 0.00 0.00 66.00 64.44 1de3 h PRO 101 Cb 1.18 0.16 -0.08 0.00 0.13 0.00 0.00 31.00 32.40 1de3 h PRO 101 CO 0.66 1.23 0.97 -0.44 -0.23 0.00 0.00 178.00 180.19 1de3 h ASP 102 N 0.28 0.12 0.00 1.44 5.19 -1.96 -3.44 116.42 118.05 1de3 h ASP 102 Ca -0.09 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1de3 h ASP 102 Cb 1.49 0.03 0.00 0.00 0.18 0.00 0.00 39.33 41.03 1de3 h ASP 102 CO 0.16 -0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.87 1de3 n GLY 103 N -1.71 0.73 3.67 2.75 0.00 -1.14 -5.04 105.19 104.44 1de3 n GLY 103 Ca 0.33 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1de3 n GLY 103 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1de3 s HIS 104 N -2.00 3.41 -1.12 1.61 -3.43 -1.26 -4.95 115.29 107.54 1de3 s HIS 104 Ca 0.00 1.19 -0.24 0.00 -0.80 0.00 0.00 55.06 55.22 1de3 s HIS 104 Cb 0.00 -2.97 -0.11 0.00 -1.43 0.00 0.00 32.58 28.06 1de3 s HIS 104 CO 0.00 -0.23 1.99 0.16 -2.00 0.00 0.00 174.74 174.66 1de3 s ASP 105 N 1.16 4.67 0.22 7.38 1.47 -1.26 -4.46 116.67 125.86 1de3 s ASP 105 Ca 0.36 -1.38 -0.20 0.00 1.18 0.00 0.00 52.55 52.52 1de3 s ASP 105 Cb -0.16 -2.59 -0.13 0.00 -0.34 0.00 0.00 42.92 39.70 1de3 s ASP 105 CO 0.12 -3.42 0.27 0.00 0.68 0.00 0.00 175.17 172.81 1de3 n TYR 106 N 15.57 -0.92 -0.87 2.11 9.36 -1.26 -4.69 117.16 136.47 1de3 n TYR 106 Ca 0.44 0.65 -0.41 0.00 3.32 0.00 0.00 57.90 61.90 1de3 n TYR 106 Cb 0.47 -1.48 -0.10 0.00 -0.63 0.00 0.00 39.34 37.60 1de3 n TYR 106 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1de3 n LYS 107 N 0.90 0.54 0.00 2.98 2.85 -1.26 -4.63 118.16 119.54 1de3 n LYS 107 Ca 0.12 -1.39 0.09 0.00 -1.05 0.00 0.00 58.31 56.08 1de3 n LYS 107 Cb 0.25 -2.81 0.41 0.00 -0.65 0.00 0.00 35.03 32.22 1de3 n LYS 107 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1de3 n PHE 108 N 9.78 0.00 1.00 5.58 1.16 -1.26 -1.35 117.46 132.37 1de3 n PHE 108 Ca 0.47 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 56.15 1de3 n PHE 108 Cb 0.42 -0.40 -0.07 0.00 -1.61 0.00 0.00 39.48 37.82 1de3 n PHE 108 CO 0.00 0.00 0.00 -3.47 -1.87 0.00 0.00 176.76 171.42 1de3 n ASP 109 N -1.40 1.07 -4.44 5.98 2.03 -1.26 -0.93 116.55 117.60 1de3 n ASP 109 Ca 0.06 -0.99 -0.44 0.00 0.52 0.00 0.00 54.79 53.94 1de3 n ASP 109 Cb 0.18 0.87 -0.03 0.00 -0.72 0.00 0.00 41.12 41.42 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1de3 s SER 110 N -2.94 6.43 0.02 1.67 0.15 -0.46 -3.23 113.70 115.34 1de3 s SER 110 Ca 0.10 -1.64 -0.11 0.00 0.70 0.00 0.00 55.95 54.99 1de3 s SER 110 Cb 0.16 -2.39 -0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1de3 s SER 110 CO 0.82 -1.18 1.13 0.50 1.20 0.00 0.00 173.24 175.71 1de3 h LYS 111 N 9.09 -0.39 -4.19 5.44 3.64 -1.86 -3.14 116.57 125.16 1de3 h LYS 111 Ca -0.05 0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.86 1de3 h LYS 111 Cb 1.05 0.09 -0.36 0.00 -0.41 0.00 0.00 32.23 32.60 1de3 h LYS 111 CO 1.12 -0.26 -0.80 -1.59 -2.27 0.00 0.00 179.45 175.65 1de3 s LYS 112 N -3.82 1.36 1.04 1.90 -2.85 -1.26 -3.73 119.74 112.38 1de3 s LYS 112 Ca -0.06 -0.22 -0.17 0.00 -1.00 0.00 0.00 55.97 54.52 1de3 s LYS 112 Cb 0.01 -1.39 0.23 0.00 -2.06 0.00 0.00 37.83 34.62 1de3 s LYS 112 CO 0.18 -0.20 1.27 -1.25 0.10 0.00 0.00 175.35 175.45 1de3 s PRO 113 N 1.46 -0.01 -0.27 1.78 0.04 -1.26 -5.18 135.00 131.57 1de3 s PRO 113 Ca -0.00 -0.35 -0.04 0.00 0.04 0.00 0.00 61.00 60.64 1de3 s PRO 113 Cb -0.13 -1.76 0.15 0.00 0.04 0.00 0.00 34.50 32.79 1de3 s PRO 113 CO -0.05 -2.86 0.51 0.21 0.04 0.00 0.00 177.00 174.86 1de3 s LYS 114 N -5.78 0.46 0.58 4.56 2.20 -1.24 -4.75 119.74 115.77 1de3 s LYS 114 Ca 0.74 0.93 -0.20 0.00 -0.36 0.00 0.00 55.97 57.09 1de3 s LYS 114 Cb -0.05 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1de3 s LYS 114 CO 0.54 -0.51 1.24 -2.00 -0.36 0.00 0.00 175.35 174.27 1de3 s GLU 115 N 2.73 3.03 0.16 4.03 2.12 -1.26 -4.95 118.70 124.56 1de3 s GLU 115 Ca 0.11 1.93 -0.33 0.00 0.36 0.00 0.00 54.97 57.04 1de3 s GLU 115 Cb -0.14 -2.03 -0.16 0.00 0.26 0.00 0.00 34.13 32.05 1de3 s GLU 115 CO -0.18 -1.18 1.05 -1.71 -0.54 0.00 0.00 175.26 172.70 1de3 n ASN 116 N -1.41 0.77 -4.65 -1.70 2.85 -1.26 -4.95 115.26 104.92 1de3 n ASN 116 Ca 0.13 1.14 -0.29 0.00 -0.11 0.00 0.00 54.58 55.45 1de3 n ASN 116 Cb 0.48 -1.14 0.18 0.00 1.24 0.00 0.00 39.78 40.55 1de3 n ASN 116 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1de3 s PRO 117 N -0.47 0.37 0.62 1.20 0.04 -1.26 -5.05 135.00 130.45 1de3 s PRO 117 Ca 0.74 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 1de3 s PRO 117 Cb -0.92 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.88 1de3 s PRO 117 CO 0.54 -2.81 1.04 0.20 0.04 0.00 0.00 177.00 176.01 1de3 s GLY 118 N -3.24 1.86 -0.06 0.56 0.00 -1.26 -5.04 107.32 100.13 1de3 s GLY 118 Ca 0.65 0.15 -0.16 0.00 0.00 0.00 0.00 44.72 45.37 1de3 s GLY 118 CO 0.59 0.45 0.64 -0.56 0.00 0.00 0.00 173.10 174.22 1de3 h PRO 119 N -0.06 -0.25 -6.45 2.90 0.13 -1.89 -3.45 132.00 122.94 1de3 h PRO 119 Ca -0.45 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 1de3 h PRO 119 Cb 1.20 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1de3 h PRO 119 CO 0.59 0.07 0.26 0.00 -0.23 0.00 0.00 178.00 178.69 1de3 s ALA 120 N -3.47 3.31 -0.01 -0.56 0.00 -1.26 -3.48 121.76 116.28 1de3 s ALA 120 Ca -0.10 0.44 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1de3 s ALA 120 Cb 0.00 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1de3 s ALA 120 CO 0.34 0.03 -0.11 1.03 0.00 0.00 0.00 175.76 177.05 1de3 s ARG 121 N -0.09 0.94 -0.02 0.00 0.52 0.14 -2.92 118.95 117.51 1de3 s ARG 121 Ca 0.43 -0.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 1de3 s ARG 121 Cb -0.22 -0.90 -0.03 0.00 0.52 0.00 0.00 34.95 34.33 1de3 s ARG 121 CO 0.27 0.21 0.98 0.54 0.02 0.00 0.00 175.30 177.32 1de3 s VAL 122 N -0.16 4.86 -0.04 3.52 0.11 -0.22 -0.96 120.40 127.51 1de3 s VAL 122 Ca 0.03 2.04 0.02 0.00 -2.93 0.00 0.00 61.98 61.13 1de3 s VAL 122 Cb -0.05 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.46 1de3 s VAL 122 CO -0.00 0.13 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.21 1de3 s ILE 123 N 1.21 3.73 -0.20 7.04 -1.09 -0.00 -1.99 121.20 129.90 1de3 s ILE 123 Ca 0.51 -0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 58.06 1de3 s ILE 123 Cb -0.20 -2.56 0.14 0.00 -1.58 0.00 0.00 42.46 38.26 1de3 s ILE 123 CO 0.26 0.52 1.10 -0.72 -1.23 0.00 0.00 174.94 174.86 1de3 s TYR 124 N -0.89 -0.29 0.00 3.97 1.13 -1.11 -2.12 117.35 118.04 1de3 s TYR 124 Ca 0.14 0.51 0.00 0.00 -1.41 0.00 0.00 57.07 56.32 1de3 s TYR 124 Cb -0.11 0.46 0.00 0.00 -1.10 0.00 0.00 41.96 41.21 1de3 s TYR 124 CO 0.04 -0.25 0.00 0.25 -2.51 0.00 0.00 175.55 173.07 1de3 n THR 125 N 0.78 0.00 -3.60 -3.49 -2.24 -1.19 -0.33 114.28 104.20 1de3 n THR 125 Ca -0.08 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1de3 n THR 125 Cb 0.58 -1.78 -0.06 0.00 -2.10 0.00 0.00 70.33 66.97 1de3 n THR 125 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1de3 s TYR 126 N -0.38 -0.56 -1.33 4.78 5.04 -1.22 -2.50 117.35 121.18 1de3 s TYR 126 Ca 0.00 1.22 0.22 0.00 -2.44 0.00 0.00 57.07 56.07 1de3 s TYR 126 Cb 0.00 0.37 1.07 0.00 0.35 0.00 0.00 41.96 43.74 1de3 s TYR 126 CO 0.00 -0.35 1.71 -0.35 -1.34 0.00 0.00 175.55 175.22 1de3 n PRO 127 N 1.80 0.24 -0.29 4.97 -0.04 -1.25 -3.99 135.00 136.43 1de3 n PRO 127 Ca -0.13 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.54 1de3 n PRO 127 Cb 0.56 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.79 1de3 n PRO 127 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1de3 h ASN 128 N 0.00 -0.10 -3.33 3.54 2.35 -1.93 -3.45 115.58 112.66 1de3 h ASN 128 Ca 0.00 0.21 -0.38 0.00 -0.55 0.00 0.00 56.30 55.57 1de3 h ASN 128 Cb 0.24 0.30 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1de3 h ASN 128 CO 0.00 -0.18 -0.50 0.29 -1.65 0.00 0.00 177.43 175.39 1de3 n LYS 129 N -5.27 -2.07 -1.69 0.81 5.02 -1.04 -4.85 118.16 109.07 1de3 n LYS 129 Ca 0.20 0.91 -0.26 0.00 -2.02 0.00 0.00 58.31 57.14 1de3 n LYS 129 Cb 0.66 -5.58 -0.05 0.00 -0.02 0.00 0.00 35.03 30.03 1de3 n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1de3 s VAL 130 N -2.97 3.11 -0.31 -0.18 1.01 -1.26 -4.55 120.40 115.26 1de3 s VAL 130 Ca 0.03 -0.03 -0.32 0.00 0.00 0.00 0.00 61.98 61.66 1de3 s VAL 130 Cb -0.01 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.00 1de3 s VAL 130 CO 0.04 -0.26 2.22 0.33 0.00 0.00 0.00 175.10 177.43 1de3 n PHE 131 N 16.34 1.73 -0.05 5.22 7.35 -1.26 -3.19 117.46 143.59 1de3 n PHE 131 Ca 0.39 0.10 -0.02 0.00 -0.76 0.00 0.00 57.45 57.16 1de3 n PHE 131 Cb 0.49 -2.62 -0.01 0.00 0.35 0.00 0.00 39.48 37.69 1de3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1de3 n GLY 133 N 1.73 1.56 3.19 0.00 0.00 -1.23 -5.06 105.19 105.37 1de3 n GLY 133 Ca -0.03 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1de3 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1de3 s ILE 134 N -2.55 1.61 -0.02 -0.61 1.09 -1.26 -0.82 121.20 118.65 1de3 s ILE 134 Ca 0.00 -0.84 0.06 0.00 -1.10 0.00 0.00 60.65 58.77 1de3 s ILE 134 Cb 0.00 -1.37 -0.01 0.00 -1.06 0.00 0.00 42.46 40.02 1de3 s ILE 134 CO 0.00 0.46 -0.19 0.27 -0.10 0.00 0.00 174.94 175.38 1de3 s ILE 135 N -0.16 1.52 0.13 2.92 -4.36 -0.13 -0.37 121.20 120.75 1de3 s ILE 135 Ca -0.00 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1de3 s ILE 135 Cb -0.11 -1.27 -0.04 0.00 1.25 0.00 0.00 42.46 42.29 1de3 s ILE 135 CO 0.02 0.43 -0.07 0.00 0.24 0.00 0.00 174.94 175.56 1de3 s ALA 136 N -0.38 1.22 -0.26 2.27 0.00 -0.14 0.24 121.76 124.71 1de3 s ALA 136 Ca 0.06 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.35 1de3 s ALA 136 Cb -0.08 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1de3 s ALA 136 CO -0.00 -0.20 0.71 -1.01 0.00 0.00 0.00 175.76 175.26 1de3 s HIS 137 N -3.52 3.28 0.00 0.00 3.76 -1.23 0.30 115.29 117.89 1de3 s HIS 137 Ca 0.16 0.92 -0.02 0.00 -0.15 0.00 0.00 55.06 55.97 1de3 s HIS 137 Cb 0.04 -2.95 -0.07 0.00 1.11 0.00 0.00 32.58 30.71 1de3 s HIS 137 CO -0.01 -0.38 2.37 0.25 -0.85 0.00 0.00 174.74 176.12 1de3 n THR 138 N 5.25 2.20 -2.66 1.30 -2.24 -1.24 -4.02 114.28 112.87 1de3 n THR 138 Ca 0.02 -0.75 -0.01 0.00 -2.27 0.00 0.00 64.05 61.04 1de3 n THR 138 Cb 0.48 -1.62 0.03 0.00 -2.10 0.00 0.00 70.33 67.12 1de3 n THR 138 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1de3 s LYS 139 N 0.35 0.04 1.36 -0.78 2.20 -1.25 -4.05 119.74 117.60 1de3 s LYS 139 Ca 0.18 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1de3 s LYS 139 Cb 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1de3 s LYS 139 CO 0.00 -0.05 0.00 0.39 -0.36 0.00 0.00 175.35 175.33 1de3 n GLU 140 N 2.98 0.00 -1.33 4.03 -0.58 0.93 -0.87 120.64 125.81 1de3 n GLU 140 Ca 0.08 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1de3 n GLU 140 Cb 0.66 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.50 1de3 n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1de3 n ASN 141 N 2.97 -0.45 -4.03 1.62 5.15 -1.26 -4.71 115.26 114.55 1de3 n ASN 141 Ca 0.00 -2.02 -0.10 0.00 -0.60 0.00 0.00 54.58 51.86 1de3 n ASN 141 Cb 0.00 0.15 -0.08 0.00 -0.53 0.00 0.00 39.78 39.33 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1de3 s GLN 142 N -0.12 1.16 0.02 1.20 0.74 -0.05 -4.97 119.66 117.64 1de3 s GLN 142 Ca 0.10 -1.30 0.00 0.00 0.05 0.00 0.00 55.36 54.22 1de3 s GLN 142 Cb 0.15 0.35 0.00 0.00 1.10 0.00 0.00 33.01 34.60 1de3 s GLN 142 CO -0.06 -0.41 0.00 0.41 -0.55 0.00 0.00 175.29 174.68 1de3 n GLY 143 N -0.22 -2.75 3.64 2.59 0.00 -1.26 -3.90 105.19 103.30 1de3 n GLY 143 Ca -0.05 -1.67 -0.48 0.00 0.00 0.00 0.00 46.02 43.82 1de3 n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1de3 n GLU 144 N -0.75 1.77 -2.64 1.61 2.13 -1.26 -4.78 120.64 116.71 1de3 n GLU 144 Ca 0.00 0.63 -0.43 0.00 0.66 0.00 0.00 57.16 58.02 1de3 n GLU 144 Cb 0.00 -2.32 -0.02 0.00 0.27 0.00 0.00 31.44 29.37 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1de3 s LEU 145 N 0.60 3.95 -0.18 4.31 1.02 -1.26 -3.64 118.68 123.48 1de3 s LEU 145 Ca 0.77 1.08 -0.19 0.00 0.02 0.00 0.00 54.13 55.81 1de3 s LEU 145 Cb -0.76 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 41.88 1de3 s LEU 145 CO 0.44 -0.86 0.56 -0.75 0.02 0.00 0.00 176.35 175.76 1de3 s LYS 146 N 3.60 4.23 -0.24 1.70 2.20 0.15 -4.81 119.74 126.56 1de3 s LYS 146 Ca 0.45 0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 56.28 1de3 s LYS 146 Cb -0.12 -3.55 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1de3 s LYS 146 CO 0.14 -0.13 2.23 -0.11 -0.36 0.00 0.00 175.35 177.12 1de3 n LEU 147 N 4.70 3.11 -4.42 5.43 7.94 -1.26 -0.96 117.00 131.53 1de3 n LEU 147 Ca -0.04 0.20 -0.33 0.00 -1.11 0.00 0.00 56.01 54.73 1de3 n LEU 147 Cb 0.50 -1.53 0.13 0.00 0.53 0.00 0.00 43.42 43.05 1de3 n LEU 147 CO 0.43 -0.72 -0.08 0.00 -1.11 0.00 0.00 177.39 175.91 1de3 s SER 149 N -2.03 0.11 0.00 0.00 1.04 -0.62 -4.77 113.70 107.42 1de3 s SER 149 Ca 0.57 0.04 0.26 0.00 0.48 0.00 0.00 55.95 57.31 1de3 s SER 149 Cb -0.21 -0.07 0.73 0.00 0.10 0.00 0.00 66.02 66.57 1de3 s SER 149 CO 0.67 -0.13 1.56 0.00 0.98 0.00 0.00 173.24 176.32