#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 5.09 -0.46 0.00 1.01 -1.26 -5.02 120.40 119.76 1de3 s VAL 2 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1de3 s VAL 2 Cb 0.00 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.86 1de3 s VAL 2 CO 0.00 -0.06 0.21 -0.89 0.00 0.00 0.00 175.10 174.35 1de3 s THR 3 N -1.78 2.22 -0.59 3.92 2.01 -1.26 -1.97 115.64 118.19 1de3 s THR 3 Ca 0.43 -2.89 -0.27 0.00 0.31 0.00 0.00 61.69 59.26 1de3 s THR 3 Cb -0.12 -2.57 0.03 0.00 0.01 0.00 0.00 72.50 69.86 1de3 s THR 3 CO 0.25 -0.77 1.16 0.26 -0.69 0.00 0.00 174.62 174.83 1de3 s TRP 4 N 0.16 2.61 -0.10 4.92 0.52 0.82 -3.93 118.94 123.95 1de3 s TRP 4 Ca 0.16 0.31 -0.00 0.00 0.02 0.00 0.00 56.10 56.58 1de3 s TRP 4 Cb -0.24 -4.46 -0.03 0.00 -1.15 0.00 0.00 33.47 27.59 1de3 s TRP 4 CO -0.03 -1.59 -0.07 0.99 0.02 0.00 0.00 176.95 176.27 1de3 s THR 5 N 4.87 3.62 0.22 2.01 2.01 -0.70 0.22 115.64 127.89 1de3 s THR 5 Ca 0.40 -0.49 0.09 0.00 0.31 0.00 0.00 61.69 62.01 1de3 s THR 5 Cb -0.08 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.87 1de3 s THR 5 CO 0.24 0.56 -0.17 0.00 -0.69 0.00 0.00 174.62 174.55 1de3 s LEU 7 N -3.22 4.08 0.06 0.00 1.43 -1.26 0.18 118.68 119.95 1de3 s LEU 7 Ca 0.24 -2.90 -0.07 0.00 -1.03 0.00 0.00 54.13 50.37 1de3 s LEU 7 Cb -0.03 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1de3 s LEU 7 CO 0.10 -0.25 0.32 0.20 0.23 0.00 0.00 176.35 176.95 1de3 s ASN 8 N -0.12 6.52 -0.45 2.29 0.02 -1.00 -4.35 114.94 117.85 1de3 s ASN 8 Ca 0.17 0.61 -0.18 0.00 -1.02 0.00 0.00 52.86 52.43 1de3 s ASN 8 Cb -0.25 -2.10 0.04 0.00 0.02 0.00 0.00 41.25 38.95 1de3 s ASN 8 CO -0.01 0.19 0.53 -0.62 0.02 0.00 0.00 177.10 177.21 1de3 s ASP 9 N -1.91 6.23 -0.25 -1.22 2.15 0.15 -1.47 116.67 120.35 1de3 s ASP 9 Ca 0.32 -0.73 -0.12 0.00 0.43 0.00 0.00 52.55 52.46 1de3 s ASP 9 Cb -0.13 -2.26 -0.05 0.00 -0.30 0.00 0.00 42.92 40.18 1de3 s ASP 9 CO 0.19 -0.72 0.22 -1.10 -0.17 0.00 0.00 175.17 173.59 1de3 s GLN 10 N 2.39 4.05 -1.19 4.34 -0.21 0.11 -1.47 119.66 127.68 1de3 s GLN 10 Ca 0.15 -0.18 -0.17 0.00 0.02 0.00 0.00 55.36 55.17 1de3 s GLN 10 Cb -0.18 -3.58 0.12 0.00 1.00 0.00 0.00 33.01 30.37 1de3 s GLN 10 CO 0.14 -0.05 1.51 0.21 -2.12 0.00 0.00 175.29 174.98 1de3 s LYS 11 N 1.38 3.95 -0.02 2.91 2.20 -1.26 -0.22 119.74 128.68 1de3 s LYS 11 Ca 0.10 -2.13 -0.34 0.00 -0.36 0.00 0.00 55.97 53.24 1de3 s LYS 11 Cb -0.15 -5.25 -0.13 0.00 -1.51 0.00 0.00 37.83 30.80 1de3 s LYS 11 CO 0.07 -1.99 1.77 -1.71 -0.36 0.00 0.00 175.35 173.13 1de3 n ASN 12 N 7.09 3.23 0.18 1.43 5.15 0.51 -4.79 115.26 128.06 1de3 n ASN 12 Ca 0.39 1.02 0.05 0.00 -0.60 0.00 0.00 54.58 55.44 1de3 n ASN 12 Cb 0.46 -1.37 0.33 0.00 -0.53 0.00 0.00 39.78 38.67 1de3 n ASN 12 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1de3 h PRO 13 N 7.99 0.00 -0.16 1.20 0.13 -1.94 0.21 132.00 139.43 1de3 h PRO 13 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1de3 h PRO 13 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1de3 h PRO 13 CO 0.93 0.40 0.05 -0.22 -0.23 0.00 0.00 178.00 178.92 1de3 h LYS 14 N 0.00 0.25 -0.02 0.86 1.63 -1.96 -3.00 116.57 114.33 1de3 h LYS 14 Ca -0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1de3 h LYS 14 Cb 0.89 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 1de3 h LYS 14 CO 0.05 0.38 -0.23 0.25 -3.45 0.00 0.00 179.45 176.45 1de3 n THR 15 N -4.83 0.00 -2.34 1.00 -2.24 -1.22 -4.95 114.28 99.70 1de3 n THR 15 Ca -0.05 -0.34 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 1de3 n THR 15 Cb 0.15 1.22 -0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.50 -2.10 -4.39 3.42 2.85 0.69 -4.90 115.26 111.32 1de3 n ASN 16 Ca 0.12 0.35 -0.23 0.00 -0.11 0.00 0.00 54.58 54.71 1de3 n ASN 16 Cb 0.50 -1.91 -0.11 0.00 1.24 0.00 0.00 39.78 39.50 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1de3 s LYS 17 N -4.76 1.43 -0.27 1.20 2.20 -0.98 -4.90 119.74 113.65 1de3 s LYS 17 Ca 0.00 -1.53 -0.17 0.00 -0.36 0.00 0.00 55.97 53.91 1de3 s LYS 17 Cb 0.00 -1.53 -0.03 0.00 -1.51 0.00 0.00 37.83 34.76 1de3 s LYS 17 CO 0.00 0.31 0.48 0.71 -0.36 0.00 0.00 175.35 176.49 1de3 s TYR 18 N -2.14 3.25 0.09 4.03 2.02 -1.26 -0.37 117.35 122.98 1de3 s TYR 18 Ca 0.21 0.55 0.08 0.00 -0.37 0.00 0.00 57.07 57.54 1de3 s TYR 18 Cb -0.06 -2.70 -0.04 0.00 -0.40 0.00 0.00 41.96 38.77 1de3 s TYR 18 CO 0.09 -0.29 -0.19 -1.21 -1.57 0.00 0.00 175.55 172.38 1de3 s GLU 19 N 2.26 1.86 -0.71 -0.62 2.02 0.70 -4.88 118.70 119.32 1de3 s GLU 19 Ca 0.19 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 53.94 1de3 s GLU 19 Cb -0.16 -2.12 0.18 0.00 0.10 0.00 0.00 34.13 32.14 1de3 s GLU 19 CO 0.10 0.50 0.63 0.99 0.02 0.00 0.00 175.26 177.49 1de3 s THR 20 N -1.04 5.12 0.42 3.63 2.01 -1.26 0.09 115.64 124.61 1de3 s THR 20 Ca 0.16 -2.28 -0.08 0.00 0.31 0.00 0.00 61.69 59.81 1de3 s THR 20 Cb -0.10 -4.22 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1de3 s THR 20 CO 0.08 -0.95 0.74 -0.54 -0.69 0.00 0.00 174.62 173.26 1de3 s LYS 21 N 0.54 3.66 -0.59 4.92 1.02 -0.54 -4.90 119.74 123.85 1de3 s LYS 21 Ca 0.14 0.29 -0.11 0.00 0.02 0.00 0.00 55.97 56.30 1de3 s LYS 21 Cb -0.17 -2.43 0.15 0.00 -0.52 0.00 0.00 37.83 34.86 1de3 s LYS 21 CO -0.05 -0.06 0.49 1.03 -0.92 0.00 0.00 175.35 175.85 1de3 s ARG 22 N -4.14 2.87 -0.94 1.68 0.52 -1.26 -2.37 118.95 115.31 1de3 s ARG 22 Ca 0.49 -2.03 -0.24 0.00 -0.52 0.00 0.00 55.73 53.43 1de3 s ARG 22 Cb -0.10 -4.10 0.05 0.00 0.52 0.00 0.00 34.95 31.31 1de3 s ARG 22 CO 0.36 -1.25 1.38 -0.51 0.02 0.00 0.00 175.30 175.31 1de3 s LEU 23 N 0.93 3.49 -0.10 2.53 1.02 0.13 -4.87 118.68 121.81 1de3 s LEU 23 Ca 0.10 -1.20 -0.28 0.00 0.02 0.00 0.00 54.13 52.76 1de3 s LEU 23 Cb -0.22 -2.56 -0.02 0.00 0.02 0.00 0.00 46.19 43.41 1de3 s LEU 23 CO -0.02 -1.58 0.92 -0.22 0.02 0.00 0.00 176.35 175.47 1de3 s LEU 24 N 5.07 4.25 0.00 1.79 1.98 -1.26 -0.37 118.68 130.14 1de3 s LEU 24 Ca 0.42 1.42 0.08 0.00 -2.89 0.00 0.00 54.13 53.16 1de3 s LEU 24 Cb -0.03 -3.42 -0.02 0.00 0.66 0.00 0.00 46.19 43.38 1de3 s LEU 24 CO -0.03 -0.37 -0.25 -0.31 -1.89 0.00 0.00 176.35 173.50 1de3 s TYR 25 N 1.75 2.26 -0.32 5.38 1.51 0.13 -4.75 117.35 123.31 1de3 s TYR 25 Ca 0.45 -0.42 -0.18 0.00 -1.01 0.00 0.00 57.07 55.91 1de3 s TYR 25 Cb -0.18 -1.42 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1de3 s TYR 25 CO 0.18 0.01 0.50 1.21 -1.11 0.00 0.00 175.55 176.34 1de3 s ASN 26 N -0.80 6.33 0.23 2.29 2.47 -1.26 -0.13 114.94 124.08 1de3 s ASN 26 Ca 0.10 0.12 -0.09 0.00 0.42 0.00 0.00 52.86 53.41 1de3 s ASN 26 Cb -0.10 -2.26 0.37 0.00 -1.45 0.00 0.00 41.25 37.80 1de3 s ASN 26 CO 0.00 -0.40 1.64 -0.61 -3.72 0.00 0.00 177.10 174.01 1de3 h GLN 27 N 8.33 0.08 -0.98 0.43 4.15 -1.76 0.11 115.11 125.47 1de3 h GLN 27 Ca -0.29 -0.00 0.33 0.00 0.77 0.00 0.00 58.65 59.46 1de3 h GLN 27 Cb 1.13 -0.02 -0.16 0.00 0.21 0.00 0.00 27.48 28.65 1de3 h GLN 27 CO 0.74 0.05 0.47 -0.97 -1.93 0.00 0.00 178.83 177.20 1de3 h ASN 28 N 0.08 0.32 -0.14 -0.69 -1.24 -1.92 0.69 115.58 112.67 1de3 h ASN 28 Ca 0.37 0.22 -0.19 0.00 0.71 0.00 0.00 56.30 57.40 1de3 h ASN 28 Cb 0.63 0.21 0.01 0.00 0.73 0.00 0.00 38.32 39.90 1de3 h ASN 28 CO -0.64 -0.23 -0.67 0.11 -1.29 0.00 0.00 177.43 174.72 1de3 h LYS 29 N 0.21 0.71 0.62 6.67 6.56 -1.19 0.90 116.57 131.04 1de3 h LYS 29 Ca 0.73 -0.57 -0.03 0.00 -1.06 0.00 0.00 60.65 59.72 1de3 h LYS 29 Cb 1.70 0.11 0.01 0.00 -0.57 0.00 0.00 32.23 33.48 1de3 h LYS 29 CO -0.68 1.18 -0.30 0.00 -2.06 0.00 0.00 179.45 177.60 1de3 h ALA 30 N 0.53 -0.83 0.00 3.86 0.00 -0.11 0.53 119.26 123.24 1de3 h ALA 30 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1de3 h ALA 30 Cb 1.30 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1de3 h ALA 30 CO 0.14 -0.89 0.00 1.05 0.00 0.00 0.00 179.25 179.55 1de3 h GLU 31 N -0.99 0.00 0.02 0.00 -0.00 0.21 -0.16 114.58 113.65 1de3 h GLU 31 Ca -0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.07 1de3 h GLU 31 Cb 0.68 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.41 1de3 h GLU 31 CO 0.14 0.00 -1.13 1.03 -0.00 0.00 0.00 179.01 179.05 1de3 h SER 32 N 0.00 0.05 -0.71 3.06 0.87 -0.45 -3.15 113.55 113.22 1de3 h SER 32 Ca 0.00 -0.63 0.06 0.00 -1.23 0.00 0.00 61.79 59.99 1de3 h SER 32 Cb 0.00 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 1de3 h SER 32 CO 0.00 1.45 0.41 0.78 -0.53 0.00 0.00 176.83 178.95 1de3 h ASN 33 N -0.89 0.63 0.43 6.23 4.21 0.68 0.15 115.58 127.03 1de3 h ASN 33 Ca -0.30 0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.18 1de3 h ASN 33 Cb 1.34 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1de3 h ASN 33 CO -0.14 0.41 -0.24 0.77 -1.29 0.00 0.00 177.43 176.94 1de3 h SER 34 N 0.77 0.00 -0.49 5.81 4.64 -1.24 -2.20 113.55 120.83 1de3 h SER 34 Ca 0.31 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 1de3 h SER 34 Cb 0.16 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.14 1de3 h SER 34 CO -0.17 0.24 0.23 1.41 -0.87 0.00 0.00 176.83 177.67 1de3 n HIS 35 N -3.84 1.60 0.00 4.77 8.25 0.49 -3.63 115.22 122.86 1de3 n HIS 35 Ca -0.02 -0.95 0.00 0.00 -0.26 0.00 0.00 57.72 56.50 1de3 n HIS 35 Cb 0.33 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 30.91 1de3 n HIS 35 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1de3 n HIS 36 N -0.13 0.00 -2.06 4.41 -0.00 -0.89 -5.00 115.22 111.55 1de3 n HIS 36 Ca 0.28 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.62 1de3 n HIS 36 Cb 1.05 0.13 0.01 0.00 -0.00 0.00 0.00 29.99 31.18 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 -1.71 2.96 0.46 1.57 0.00 -0.88 -5.00 121.76 119.16 1de3 s ALA 37 Ca 0.00 1.11 -0.22 0.00 0.00 0.00 0.00 51.96 52.86 1de3 s ALA 37 Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 1de3 s ALA 37 CO 0.00 -0.93 1.09 -1.25 0.00 0.00 0.00 175.76 174.67 1de3 s PRO 38 N -2.70 3.82 -1.04 0.00 0.04 -1.26 -4.96 135.00 128.89 1de3 s PRO 38 Ca 0.65 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 63.05 1de3 s PRO 38 Cb -0.34 -2.28 0.12 0.00 0.04 0.00 0.00 34.50 32.04 1de3 s PRO 38 CO 0.41 -0.45 1.31 -0.51 0.04 0.00 0.00 177.00 177.81 1de3 s LEU 39 N -3.19 4.67 -0.30 -3.56 1.43 -1.26 -4.40 118.68 112.07 1de3 s LEU 39 Ca 0.65 -2.20 -0.09 0.00 -1.03 0.00 0.00 54.13 51.46 1de3 s LEU 39 Cb -0.22 -2.45 0.15 0.00 0.03 0.00 0.00 46.19 43.70 1de3 s LEU 39 CO 0.27 -1.08 0.70 -0.94 0.23 0.00 0.00 176.35 175.53 1de3 s SER 40 N 3.74 -1.10 -0.05 2.29 1.04 -1.26 -4.96 113.70 113.39 1de3 s SER 40 Ca 0.39 1.26 -0.30 0.00 0.48 0.00 0.00 55.95 57.79 1de3 s SER 40 Cb -0.03 2.16 -0.06 0.00 0.10 0.00 0.00 66.02 68.19 1de3 s SER 40 CO -0.06 -0.21 1.71 -0.62 0.98 0.00 0.00 173.24 175.04 1de3 s ASP 41 N 2.83 6.60 -0.73 7.02 2.15 -1.04 -3.81 116.67 129.69 1de3 s ASP 41 Ca 0.01 2.25 -0.07 0.00 0.43 0.00 0.00 52.55 55.17 1de3 s ASP 41 Cb -0.12 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1de3 s ASP 41 CO -0.19 -0.98 0.63 0.61 -0.17 0.00 0.00 175.17 175.07 1de3 n GLY 42 N 4.25 -1.08 1.16 2.66 0.00 -1.13 -4.40 105.19 106.66 1de3 n GLY 42 Ca 0.18 0.70 -0.02 0.00 0.00 0.00 0.00 46.02 46.88 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 -1.97 0.00 -4.23 1.61 4.81 -1.06 -4.98 118.16 112.34 1de3 n LYS 43 Ca -0.20 -1.36 -0.15 0.00 -0.87 0.00 0.00 58.31 55.72 1de3 n LYS 43 Cb 0.64 0.23 -0.09 0.00 0.02 0.00 0.00 35.03 35.83 1de3 n LYS 43 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1de3 s THR 44 N 0.00 0.00 0.03 3.15 2.01 -1.24 -5.01 115.64 114.58 1de3 s THR 44 Ca 0.14 -1.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.07 1de3 s THR 44 Cb 0.16 -2.50 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1de3 s THR 44 CO -0.07 0.00 1.13 1.23 -0.69 0.00 0.00 174.62 176.22 1de3 h GLY 45 N 2.40 -1.34 1.08 4.40 0.00 -1.47 -0.77 103.07 107.36 1de3 h GLY 45 Ca -0.31 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1de3 h GLY 45 CO 0.45 -0.46 0.00 -1.14 0.00 0.00 0.00 176.54 175.39 1de3 n SER 46 N -3.21 0.00 0.00 0.19 3.41 0.13 -3.99 113.62 110.15 1de3 n SER 46 Ca -0.02 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 1de3 n SER 46 Cb 0.09 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1de3 n SER 46 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1de3 n SER 47 N -1.04 0.00 -4.72 4.04 3.41 -0.29 -5.00 113.62 110.02 1de3 n SER 47 Ca 0.13 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.34 1de3 n SER 47 Cb 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1de3 n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1de3 n TYR 48 N 0.00 2.24 -2.59 7.33 4.01 -1.26 -2.56 117.16 124.33 1de3 n TYR 48 Ca 0.00 0.47 -0.43 0.00 -0.16 0.00 0.00 57.90 57.79 1de3 n TYR 48 Cb 0.00 -2.39 -0.02 0.00 -0.31 0.00 0.00 39.34 36.62 1de3 n TYR 48 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1de3 s PRO 49 N -2.36 4.37 0.18 -0.72 0.04 -1.26 -4.51 135.00 130.74 1de3 s PRO 49 Ca 0.63 1.50 -0.09 0.00 0.04 0.00 0.00 61.00 63.08 1de3 s PRO 49 Cb -0.48 -3.57 -0.07 0.00 0.04 0.00 0.00 34.50 30.42 1de3 s PRO 49 CO 0.57 -0.42 0.49 -3.38 0.04 0.00 0.00 177.00 174.30 1de3 s HIS 50 N 2.29 3.49 0.33 0.56 -3.43 -1.25 -2.83 115.29 114.45 1de3 s HIS 50 Ca 0.51 0.82 -0.29 0.00 -0.80 0.00 0.00 55.06 55.29 1de3 s HIS 50 Cb -0.20 -2.20 -0.12 0.00 -1.43 0.00 0.00 32.58 28.63 1de3 s HIS 50 CO 0.18 0.37 1.53 1.87 -2.00 0.00 0.00 174.74 176.69 1de3 n TRP 51 N 0.21 2.84 -3.34 0.38 -0.00 -1.26 -0.52 117.44 115.74 1de3 n TRP 51 Ca -0.02 0.35 -0.45 0.00 -0.00 0.00 0.00 57.50 57.38 1de3 n TRP 51 Cb 0.52 -2.56 -0.05 0.00 -0.00 0.00 0.00 31.31 29.22 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 -0.49 3.29 0.42 5.87 5.36 0.18 -4.71 117.98 127.90 1de3 s PHE 52 Ca 0.60 -1.39 0.28 0.00 -0.96 0.00 0.00 56.93 55.45 1de3 s PHE 52 Cb -0.50 -3.76 1.39 0.00 -0.34 0.00 0.00 43.02 39.81 1de3 s PHE 52 CO 0.55 -1.02 1.62 1.79 -1.46 0.00 0.00 175.22 176.70 1de3 h THR 53 N 5.88 0.11 -3.66 0.12 1.35 -1.85 -3.41 112.91 111.46 1de3 h THR 53 Ca -0.27 -0.03 -0.27 0.00 -0.55 0.00 0.00 66.41 65.29 1de3 h THR 53 Cb 1.09 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.51 1de3 h THR 53 CO 1.01 0.02 -0.34 -3.20 -0.25 0.00 0.00 175.52 172.75 1de3 n ASN 54 N -4.79 -4.15 0.00 5.36 2.85 -1.26 0.11 115.26 113.37 1de3 n ASN 54 Ca 0.37 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 55.01 1de3 n ASN 54 Cb 1.38 -3.52 0.00 0.00 1.24 0.00 0.00 39.78 38.88 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1de3 n GLY 55 N -0.82 2.74 3.61 8.20 0.00 -1.26 -3.95 105.19 113.71 1de3 n GLY 55 Ca -0.16 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 0.21 0.25 1.61 4.01 0.12 -3.87 117.16 119.48 1de3 n TYR 56 Ca 0.00 0.25 0.11 0.00 -0.16 0.00 0.00 57.90 58.10 1de3 n TYR 56 Cb 0.00 -1.91 0.01 0.00 -0.31 0.00 0.00 39.34 37.13 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 -4.33 0.70 0.00 7.72 8.00 0.04 -4.73 116.55 123.95 1de3 n ASP 57 Ca 0.09 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1de3 n ASP 57 Cb 0.53 0.61 0.00 0.00 -0.02 0.00 0.00 41.12 42.24 1de3 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de3 n GLY 58 N 1.25 1.53 1.26 0.44 0.00 -1.26 -5.01 105.19 103.39 1de3 n GLY 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.08 -1.22 -3.98 116.55 112.89 1de3 n ASP 59 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1de3 n ASP 59 Cb 0.00 0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.68 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1de3 n GLY 60 N -0.57 0.88 3.83 0.27 0.00 -1.26 -4.25 105.19 104.10 1de3 n GLY 60 Ca 0.00 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1de3 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de3 s LYS 61 N 0.00 4.05 0.11 1.61 3.01 -1.26 -4.87 119.74 122.40 1de3 s LYS 61 Ca 0.00 1.05 0.07 0.00 -1.01 0.00 0.00 55.97 56.08 1de3 s LYS 61 Cb 0.00 -2.15 -0.04 0.00 -1.01 0.00 0.00 37.83 34.63 1de3 s LYS 61 CO 0.00 -0.18 -0.08 -0.51 0.51 0.00 0.00 175.35 175.08 1de3 s LEU 62 N -3.66 3.10 0.00 3.17 1.02 -1.26 -0.78 118.68 120.27 1de3 s LEU 62 Ca 0.61 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.38 1de3 s LEU 62 Cb -0.10 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.24 1de3 s LEU 62 CO 0.23 0.17 0.00 -0.81 0.02 0.00 0.00 176.35 175.95 1de3 n PRO 63 N 0.58 0.38 -1.76 1.29 -0.04 -1.25 -4.84 135.00 129.35 1de3 n PRO 63 Ca -0.13 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.91 1de3 n PRO 63 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 -1.01 3.15 0.00 0.54 2.47 -1.26 -3.38 119.74 120.25 1de3 s LYS 64 Ca 0.00 1.74 0.00 0.00 -1.56 0.00 0.00 55.97 56.15 1de3 s LYS 64 Cb 0.00 -4.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.05 1de3 s LYS 64 CO 0.00 -2.08 0.00 0.41 0.16 0.00 0.00 175.35 173.84 1de3 n GLY 65 N 5.64 0.36 3.61 5.54 0.00 -1.26 -5.00 105.19 114.09 1de3 n GLY 65 Ca 0.27 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.36 3.39 -0.40 1.61 0.52 -1.22 -4.90 118.95 115.60 1de3 s ARG 66 Ca 0.00 1.95 0.11 0.00 -0.52 0.00 0.00 55.73 57.27 1de3 s ARG 66 Cb 0.00 -4.27 0.35 0.00 0.52 0.00 0.00 34.95 31.55 1de3 s ARG 66 CO 0.00 -1.80 0.75 -2.37 0.02 0.00 0.00 175.30 171.91 1de3 n THR 67 N 7.21 0.21 -2.38 0.02 5.66 -1.26 -5.11 114.28 118.64 1de3 n THR 67 Ca 0.26 -4.70 -0.43 0.00 -3.05 0.00 0.00 64.05 56.13 1de3 n THR 67 Cb 0.45 -0.42 -0.02 0.00 -1.55 0.00 0.00 70.33 68.78 1de3 n THR 67 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1de3 s PRO 68 N -2.54 4.20 -0.27 1.09 0.04 -1.25 -4.58 135.00 131.69 1de3 s PRO 68 Ca 0.41 1.69 -0.35 0.00 0.04 0.00 0.00 61.00 62.79 1de3 s PRO 68 Cb 0.34 -3.80 -0.11 0.00 0.04 0.00 0.00 34.50 30.97 1de3 s PRO 68 CO -0.09 -0.75 2.08 -0.89 0.04 0.00 0.00 177.00 177.39 1de3 n ILE 69 N 5.45 0.30 -2.91 0.56 5.41 -1.26 -4.89 119.36 122.02 1de3 n ILE 69 Ca 0.14 -0.23 -0.43 0.00 1.00 0.00 0.00 62.75 63.24 1de3 n ILE 69 Cb 0.45 -1.75 -0.05 0.00 -0.71 0.00 0.00 39.64 37.58 1de3 n ILE 69 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1de3 s LYS 70 N 5.50 3.64 -0.04 0.38 2.20 -1.26 -4.89 119.74 125.26 1de3 s LYS 70 Ca 1.04 0.22 0.01 0.00 -0.36 0.00 0.00 55.97 56.88 1de3 s LYS 70 Cb -0.79 -3.86 -0.26 0.00 -1.51 0.00 0.00 37.83 31.41 1de3 s LYS 70 CO 0.50 -1.00 0.68 0.74 -0.36 0.00 0.00 175.35 175.91 1de3 h PHE 71 N 8.71 0.31 0.00 4.03 0.04 -1.93 -3.49 116.94 124.60 1de3 h PHE 71 Ca -0.24 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1de3 h PHE 71 Cb 1.09 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 39.22 1de3 h PHE 71 CO 0.81 1.36 0.00 0.41 -0.60 0.00 0.00 178.31 180.30 1de3 n GLY 72 N 1.71 1.46 3.64 -1.45 0.00 -1.26 -5.04 105.19 104.26 1de3 n GLY 72 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.05 2.28 -0.06 1.61 -0.14 -1.26 -5.05 119.74 117.07 1de3 s LYS 73 Ca 0.00 -1.43 0.10 0.00 -1.36 0.00 0.00 55.97 53.28 1de3 s LYS 73 Cb 0.00 -2.15 -0.24 0.00 -1.68 0.00 0.00 37.83 33.76 1de3 s LYS 73 CO 0.00 0.36 0.59 0.43 -0.76 0.00 0.00 175.35 175.96 1de3 n SER 74 N -0.90 1.05 0.12 2.83 7.64 -1.26 -3.00 113.62 120.11 1de3 n SER 74 Ca -0.06 0.36 -0.20 0.00 1.01 0.00 0.00 58.87 59.98 1de3 n SER 74 Cb 0.59 -0.16 -0.14 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.01 0.65 0.33 6.43 3.32 -1.96 0.12 116.42 125.31 1de3 h ASP 75 Ca -0.32 -0.68 -0.11 0.00 0.02 0.00 0.00 57.03 55.94 1de3 h ASP 75 Cb 2.03 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.35 1de3 h ASP 75 CO 0.08 1.52 -0.45 0.00 -1.72 0.00 0.00 179.24 178.67 1de3 h ASP 77 N 0.13 0.00 -4.09 0.00 3.58 -1.54 -3.48 116.42 111.01 1de3 h ASP 77 Ca 0.01 -0.13 -0.52 0.00 0.42 0.00 0.00 57.03 56.81 1de3 h ASP 77 Cb 0.85 0.00 0.20 0.00 1.72 0.00 0.00 39.33 42.10 1de3 h ASP 77 CO 0.07 0.06 0.09 0.54 -2.88 0.00 0.00 179.24 177.12 1de3 n ARG 78 N -2.33 -0.53 -2.00 0.28 1.74 0.40 -4.92 116.66 109.30 1de3 n ARG 78 Ca 0.03 -0.09 -0.43 0.00 -0.77 0.00 0.00 57.85 56.59 1de3 n ARG 78 Cb 0.47 -2.29 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 1de3 n ARG 78 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1de3 s PRO 79 N -4.48 3.76 -0.86 5.56 0.04 -1.26 -4.92 135.00 132.84 1de3 s PRO 79 Ca 0.66 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 63.28 1de3 s PRO 79 Cb -0.23 -4.09 0.01 0.00 0.04 0.00 0.00 34.50 30.23 1de3 s PRO 79 CO 0.60 -1.34 1.59 -1.25 0.04 0.00 0.00 177.00 176.63 1de3 s PRO 80 N 4.84 3.10 -0.75 0.56 0.04 -1.26 -4.86 135.00 136.67 1de3 s PRO 80 Ca 0.77 -0.44 -0.19 0.00 0.04 0.00 0.00 61.00 61.19 1de3 s PRO 80 Cb -0.28 -4.85 -0.14 0.00 0.04 0.00 0.00 34.50 29.27 1de3 s PRO 80 CO 0.31 -2.55 1.93 1.17 0.04 0.00 0.00 177.00 177.90 1de3 n LYS 81 N 9.05 1.52 -2.62 4.56 3.00 -1.25 -3.39 118.16 129.04 1de3 n LYS 81 Ca 0.25 -1.71 -0.43 0.00 -0.00 0.00 0.00 58.31 56.43 1de3 n LYS 81 Cb 0.50 -2.79 -0.02 0.00 0.00 0.00 0.00 35.03 32.72 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1de3 s HIS 82 N 4.77 3.17 0.00 5.64 5.65 -1.26 -4.30 115.29 128.96 1de3 s HIS 82 Ca 0.53 1.26 0.00 0.00 0.25 0.00 0.00 55.06 57.10 1de3 s HIS 82 Cb 0.13 -3.55 0.00 0.00 -1.18 0.00 0.00 32.58 27.98 1de3 s HIS 82 CO 0.09 -0.78 0.00 0.45 -0.65 0.00 0.00 174.74 173.85 1de3 n SER 83 N 6.72 0.00 0.21 9.88 2.88 -1.26 -4.79 113.62 127.25 1de3 n SER 83 Ca 0.12 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.58 1de3 n SER 83 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.54 -0.66 -1.46 1.79 -1.96 -3.22 116.57 110.52 1de3 h LYS 84 Ca 0.00 0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.30 1de3 h LYS 84 Cb 0.00 0.12 -0.12 0.00 -1.58 0.00 0.00 32.23 30.65 1de3 h LYS 84 CO 0.00 -0.36 0.23 -0.25 -1.08 0.00 0.00 179.45 177.99 1de3 n ASP 85 N -3.58 4.46 -4.02 0.86 9.92 -1.26 -4.92 116.55 118.01 1de3 n ASP 85 Ca -0.07 -3.28 -0.28 0.00 -0.53 0.00 0.00 54.79 50.63 1de3 n ASP 85 Cb 0.22 -0.72 -0.02 0.00 -0.64 0.00 0.00 41.12 39.97 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de3 n GLY 86 N -0.34 -0.30 2.67 0.44 0.00 -1.22 -2.50 105.19 103.94 1de3 n GLY 86 Ca 0.39 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.46 1de3 n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1de3 n ASN 87 N -2.89 -2.65 0.00 1.61 6.94 -1.26 -3.89 115.26 113.11 1de3 n ASN 87 Ca -0.19 -2.96 0.00 0.00 -0.02 0.00 0.00 54.58 51.41 1de3 n ASN 87 Cb 0.63 1.32 0.00 0.00 -2.36 0.00 0.00 39.78 39.37 1de3 n ASN 87 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1de3 n GLY 88 N 2.40 0.70 0.11 4.83 0.00 -1.26 -4.97 105.19 107.01 1de3 n GLY 88 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1de3 n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1de3 n LYS 89 N 0.00 0.70 -1.50 1.61 -0.00 -1.26 -4.73 118.16 112.97 1de3 n LYS 89 Ca 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 58.31 58.34 1de3 n LYS 89 Cb 0.00 -1.51 -0.01 0.00 -0.00 0.00 0.00 35.03 33.51 1de3 n LYS 89 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1de3 n THR 90 N -2.99 0.08 -1.55 0.58 5.66 -1.26 -5.13 114.28 109.66 1de3 n THR 90 Ca -0.39 -0.55 -0.51 0.00 -3.05 0.00 0.00 64.05 59.56 1de3 n THR 90 Cb 1.06 0.74 -0.05 0.00 -1.55 0.00 0.00 70.33 70.53 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 -0.21 0.93 -3.16 1.09 -0.08 -1.26 -4.91 116.55 108.95 1de3 n ASP 91 Ca -0.17 1.14 -0.26 0.00 -1.51 0.00 0.00 54.79 53.99 1de3 n ASP 91 Cb 0.83 -1.14 -0.06 0.00 2.34 0.00 0.00 41.12 43.09 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 1.47 3.29 -3.67 -0.67 1.44 -1.26 -4.37 115.22 111.45 1de3 n HIS 92 Ca 0.16 -4.02 -0.32 0.00 -2.01 0.00 0.00 57.72 51.54 1de3 n HIS 92 Cb 0.22 -0.50 -0.05 0.00 0.12 0.00 0.00 29.99 29.78 1de3 n HIS 92 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1de3 s TYR 93 N -2.86 3.50 -0.36 -1.40 1.13 -1.26 -3.78 117.35 112.32 1de3 s TYR 93 Ca 0.44 0.59 -0.26 0.00 -1.41 0.00 0.00 57.07 56.43 1de3 s TYR 93 Cb 0.23 -2.03 0.01 0.00 -1.10 0.00 0.00 41.96 39.08 1de3 s TYR 93 CO -0.08 0.47 0.95 -0.51 -2.51 0.00 0.00 175.55 173.86 1de3 s LEU 94 N -2.44 3.98 0.32 -3.49 1.43 -1.26 -3.84 118.68 113.37 1de3 s LEU 94 Ca 0.38 0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 54.10 1de3 s LEU 94 Cb -0.13 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 1de3 s LEU 94 CO 0.23 -0.85 0.60 -0.76 0.23 0.00 0.00 176.35 175.79 1de3 s LEU 95 N 3.49 4.00 -0.34 1.79 1.02 -0.71 0.48 118.68 128.41 1de3 s LEU 95 Ca 0.39 0.76 -0.00 0.00 0.02 0.00 0.00 54.13 55.30 1de3 s LEU 95 Cb -0.12 -3.60 0.11 0.00 0.02 0.00 0.00 46.19 42.60 1de3 s LEU 95 CO 0.18 -0.25 0.13 -0.70 0.02 0.00 0.00 176.35 175.73 1de3 s GLU 96 N -3.72 0.82 -0.01 1.70 2.12 0.32 -3.13 118.70 116.79 1de3 s GLU 96 Ca 0.45 -1.28 -0.18 0.00 0.36 0.00 0.00 54.97 54.32 1de3 s GLU 96 Cb -0.11 -2.02 -0.05 0.00 0.26 0.00 0.00 34.13 32.21 1de3 s GLU 96 CO 0.31 -1.03 0.49 0.12 -0.54 0.00 0.00 175.26 174.61 1de3 s PHE 97 N 1.33 3.68 -0.95 5.30 2.19 -0.80 -3.75 117.98 124.97 1de3 s PHE 97 Ca 0.12 1.06 -0.24 0.00 0.33 0.00 0.00 56.93 58.20 1de3 s PHE 97 Cb -0.19 -2.45 -0.02 0.00 -1.31 0.00 0.00 43.02 39.05 1de3 s PHE 97 CO -0.19 0.46 1.82 -1.25 1.83 0.00 0.00 175.22 177.90 1de3 s PRO 98 N -0.51 2.84 0.31 10.12 0.04 -1.26 -0.59 135.00 145.96 1de3 s PRO 98 Ca 0.26 -0.57 -0.27 0.00 0.04 0.00 0.00 61.00 60.46 1de3 s PRO 98 Cb -0.17 -5.16 -0.09 0.00 0.04 0.00 0.00 34.50 29.12 1de3 s PRO 98 CO 0.14 -3.09 1.01 -0.08 0.04 0.00 0.00 177.00 175.03 1de3 s THR 99 N 8.73 3.85 0.06 1.26 -1.32 -1.17 -4.84 115.64 122.22 1de3 s THR 99 Ca 0.64 1.65 0.04 0.00 -1.21 0.00 0.00 61.69 62.81 1de3 s THR 99 Cb -0.05 -3.97 -0.04 0.00 -1.51 0.00 0.00 72.50 66.94 1de3 s THR 99 CO -0.02 0.24 -0.01 -0.36 -2.21 0.00 0.00 174.62 172.25 1de3 s PHE 100 N -1.42 2.99 0.05 9.09 0.40 -1.26 -4.57 117.98 123.26 1de3 s PHE 100 Ca 0.49 -0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.65 1de3 s PHE 100 Cb -0.25 -1.57 -0.20 0.00 0.51 0.00 0.00 43.02 41.51 1de3 s PHE 100 CO 0.31 0.46 1.20 -1.00 0.70 0.00 0.00 175.22 176.89 1de3 h PRO 101 N 3.75 0.60 -1.30 0.24 0.13 -1.92 -3.15 132.00 130.34 1de3 h PRO 101 Ca -0.48 -0.56 0.38 0.00 -0.87 0.00 0.00 66.00 64.47 1de3 h PRO 101 Cb 1.17 0.14 -0.09 0.00 0.13 0.00 0.00 31.00 32.35 1de3 h PRO 101 CO 0.58 1.18 0.89 -0.44 -0.23 0.00 0.00 178.00 179.98 1de3 h ASP 102 N 0.22 0.19 0.00 1.44 5.19 -1.97 -3.43 116.42 118.06 1de3 h ASP 102 Ca -0.07 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1de3 h ASP 102 Cb 1.39 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.94 1de3 h ASP 102 CO 0.15 -0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.84 1de3 n GLY 103 N -1.64 0.82 3.89 2.75 0.00 -1.19 -5.07 105.19 104.75 1de3 n GLY 103 Ca 0.32 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 3.54 -1.10 1.61 -3.43 -1.26 -4.99 115.29 107.66 1de3 s HIS 104 Ca 0.00 0.94 -0.10 0.00 -0.80 0.00 0.00 55.06 55.10 1de3 s HIS 104 Cb 0.00 -2.39 0.26 0.00 -1.43 0.00 0.00 32.58 29.02 1de3 s HIS 104 CO 0.00 -0.26 1.12 0.16 -2.00 0.00 0.00 174.74 173.76 1de3 s ASP 105 N -3.79 7.25 0.24 7.38 1.47 -1.26 -4.44 116.67 123.52 1de3 s ASP 105 Ca 0.49 -3.45 -0.19 0.00 1.18 0.00 0.00 52.55 50.59 1de3 s ASP 105 Cb -0.10 -2.23 -0.12 0.00 -0.34 0.00 0.00 42.92 40.12 1de3 s ASP 105 CO 0.41 -0.36 0.22 0.00 0.68 0.00 0.00 175.17 176.11 1de3 n TYR 106 N 3.13 -1.05 -2.09 2.11 9.36 -1.26 -4.73 117.16 122.63 1de3 n TYR 106 Ca 0.24 0.60 -0.29 0.00 3.32 0.00 0.00 57.90 61.77 1de3 n TYR 106 Cb 0.40 -1.42 -0.06 0.00 -0.63 0.00 0.00 39.34 37.63 1de3 n TYR 106 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1de3 s LYS 107 N -0.77 2.55 0.20 2.98 -2.85 -1.26 -4.66 119.74 115.93 1de3 s LYS 107 Ca 0.47 -1.18 0.26 0.00 -1.00 0.00 0.00 55.97 54.53 1de3 s LYS 107 Cb -0.59 -5.25 0.85 0.00 -2.06 0.00 0.00 37.83 30.78 1de3 s LYS 107 CO 0.46 -3.91 1.79 1.97 0.10 0.00 0.00 175.35 175.75 1de3 n PHE 108 N 14.16 0.86 0.71 1.78 1.16 -1.26 -2.74 117.46 132.14 1de3 n PHE 108 Ca 0.45 0.25 0.12 0.00 -1.87 0.00 0.00 57.45 56.40 1de3 n PHE 108 Cb 0.47 -0.91 0.24 0.00 -1.61 0.00 0.00 39.48 37.66 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 -2.21 0.61 -4.48 5.98 2.03 -1.26 0.21 116.55 117.43 1de3 n ASP 109 Ca 0.06 0.09 -0.43 0.00 0.52 0.00 0.00 54.79 55.03 1de3 n ASP 109 Cb 0.42 0.06 -0.03 0.00 -0.72 0.00 0.00 41.12 40.85 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 -3.85 6.40 0.04 1.67 0.15 -1.11 -3.15 113.70 113.85 1de3 s SER 110 Ca 0.08 -1.41 -0.22 0.00 0.70 0.00 0.00 55.95 55.10 1de3 s SER 110 Cb 0.15 -2.46 -0.12 0.00 -1.71 0.00 0.00 66.02 61.88 1de3 s SER 110 CO 0.69 -1.36 1.33 0.50 1.20 0.00 0.00 173.24 175.61 1de3 h LYS 111 N 9.39 -0.72 -3.82 5.44 3.64 -1.87 -3.20 116.57 125.43 1de3 h LYS 111 Ca -0.03 0.05 -0.45 0.00 -1.27 0.00 0.00 60.65 58.95 1de3 h LYS 111 Cb 1.04 0.16 -0.38 0.00 -0.41 0.00 0.00 32.23 32.65 1de3 h LYS 111 CO 1.21 -0.48 -0.77 -1.59 -2.27 0.00 0.00 179.45 175.55 1de3 s LYS 112 N -4.73 0.79 1.05 1.90 -2.85 -1.26 -3.76 119.74 110.87 1de3 s LYS 112 Ca -0.11 0.03 -0.18 0.00 -1.00 0.00 0.00 55.97 54.71 1de3 s LYS 112 Cb 0.02 -1.08 0.25 0.00 -2.06 0.00 0.00 37.83 34.95 1de3 s LYS 112 CO 0.35 -0.28 1.26 -0.35 0.10 0.00 0.00 175.35 176.43 1de3 n PRO 113 N 5.05 -1.82 -3.20 1.78 -0.04 -1.26 -5.17 135.00 130.34 1de3 n PRO 113 Ca -0.09 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1de3 n PRO 113 Cb 0.50 -1.44 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 1de3 n PRO 113 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1de3 s LYS 114 N -5.78 0.60 0.58 0.54 2.20 -1.25 -4.73 119.74 111.90 1de3 s LYS 114 Ca 0.74 0.24 -0.18 0.00 -0.36 0.00 0.00 55.97 56.41 1de3 s LYS 114 Cb -0.03 0.09 -0.07 0.00 -1.51 0.00 0.00 37.83 36.30 1de3 s LYS 114 CO 0.53 -1.09 0.68 -1.91 -0.36 0.00 0.00 175.35 173.21 1de3 n GLU 115 N 5.14 0.64 -1.59 4.03 2.13 -1.26 -4.91 120.64 124.82 1de3 n GLU 115 Ca 0.06 0.25 -0.44 0.00 0.66 0.00 0.00 57.16 57.69 1de3 n GLU 115 Cb 0.54 -1.86 -0.01 0.00 0.27 0.00 0.00 31.44 30.37 1de3 n GLU 115 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1de3 n ASN 116 N 0.05 1.29 -2.96 4.31 5.15 -1.26 -4.99 115.26 116.85 1de3 n ASN 116 Ca 0.12 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.27 1de3 n ASN 116 Cb 0.47 -1.30 0.00 0.00 -0.53 0.00 0.00 39.78 38.43 1de3 n ASN 116 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1de3 n PRO 117 N 0.66 0.04 -4.36 1.20 -0.04 -1.26 -5.10 135.00 126.15 1de3 n PRO 117 Ca 0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.32 1de3 n PRO 117 Cb 0.33 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.71 1de3 n PRO 117 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1de3 s GLY 118 N -1.77 1.82 -0.02 0.55 0.00 -1.26 -5.10 107.32 101.54 1de3 s GLY 118 Ca 0.00 -1.79 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 1de3 s GLY 118 CO 0.00 -1.84 0.38 -0.56 0.00 0.00 0.00 173.10 171.08 1de3 h PRO 119 N 1.98 -0.18 -6.49 2.90 0.13 -1.87 -3.45 132.00 125.01 1de3 h PRO 119 Ca -0.43 0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 1de3 h PRO 119 Cb 1.25 0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.45 1de3 h PRO 119 CO 0.62 -0.12 0.90 0.00 -0.23 0.00 0.00 178.00 179.16 1de3 s ALA 120 N -3.27 3.68 0.05 -0.56 0.00 -1.26 -4.19 121.76 116.20 1de3 s ALA 120 Ca -0.03 1.18 0.05 0.00 0.00 0.00 0.00 51.96 53.16 1de3 s ALA 120 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1de3 s ALA 120 CO 0.08 -0.92 -0.14 1.03 0.00 0.00 0.00 175.76 175.82 1de3 s ARG 121 N 1.99 0.91 0.05 0.00 0.52 0.19 -3.06 118.95 119.55 1de3 s ARG 121 Ca 0.70 -0.81 -0.22 0.00 -0.52 0.00 0.00 55.73 54.88 1de3 s ARG 121 Cb -0.39 -0.92 -0.06 0.00 0.52 0.00 0.00 34.95 34.10 1de3 s ARG 121 CO 0.31 0.22 0.66 0.54 0.02 0.00 0.00 175.30 177.05 1de3 s VAL 122 N -0.95 4.74 -0.05 3.52 0.11 0.25 -0.40 120.40 127.63 1de3 s VAL 122 Ca 0.01 1.40 0.06 0.00 -2.93 0.00 0.00 61.98 60.52 1de3 s VAL 122 Cb -0.08 -4.00 -0.01 0.00 -1.53 0.00 0.00 36.38 30.75 1de3 s VAL 122 CO 0.02 0.45 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.36 1de3 s ILE 123 N -0.51 2.15 -0.24 7.04 -1.09 0.56 -1.91 121.20 127.20 1de3 s ILE 123 Ca 0.33 -1.04 -0.27 0.00 -2.23 0.00 0.00 60.65 57.44 1de3 s ILE 123 Cb -0.20 -1.77 0.13 0.00 -1.58 0.00 0.00 42.46 39.04 1de3 s ILE 123 CO 0.20 0.57 1.07 -0.72 -1.23 0.00 0.00 174.94 174.84 1de3 s TYR 124 N -0.32 -0.39 0.00 3.97 1.13 -1.18 -1.22 117.35 119.34 1de3 s TYR 124 Ca 0.01 0.86 0.00 0.00 -1.41 0.00 0.00 57.07 56.53 1de3 s TYR 124 Cb -0.13 0.41 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 1de3 s TYR 124 CO 0.02 -0.24 0.00 0.25 -2.51 0.00 0.00 175.55 173.07 1de3 n THR 125 N 1.63 0.00 -3.62 -3.49 -2.24 -1.25 -1.74 114.28 103.57 1de3 n THR 125 Ca -0.11 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.57 1de3 n THR 125 Cb 0.57 -1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 67.66 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 -0.25 -0.46 -1.77 4.78 5.04 -1.25 -2.21 117.35 121.23 1de3 s TYR 126 Ca 0.00 1.02 0.26 0.00 -2.44 0.00 0.00 57.07 55.91 1de3 s TYR 126 Cb 0.00 0.39 1.45 0.00 0.35 0.00 0.00 41.96 44.15 1de3 s TYR 126 CO 0.00 -0.28 1.89 -0.35 -1.34 0.00 0.00 175.55 175.48 1de3 n PRO 127 N 1.74 0.64 -0.24 4.97 -0.04 -1.26 -4.31 135.00 136.48 1de3 n PRO 127 Ca -0.12 0.02 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 1de3 n PRO 127 Cb 0.56 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.56 -3.16 3.54 2.35 -1.96 -3.44 115.58 112.34 1de3 h ASN 128 Ca 0.00 0.21 -0.36 0.00 -0.55 0.00 0.00 56.30 55.59 1de3 h ASN 128 Cb 0.10 0.41 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1de3 h ASN 128 CO 0.00 -0.22 -0.46 0.29 -1.65 0.00 0.00 177.43 175.40 1de3 n LYS 129 N -5.43 -1.84 -1.85 0.81 5.02 -0.94 -4.84 118.16 109.09 1de3 n LYS 129 Ca 0.10 0.89 -0.21 0.00 -2.02 0.00 0.00 58.31 57.07 1de3 n LYS 129 Cb 0.40 -5.52 -0.07 0.00 -0.02 0.00 0.00 35.03 29.82 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 -2.89 3.28 -0.52 -0.18 1.01 -1.26 -4.67 120.40 115.18 1de3 s VAL 130 Ca 0.00 -0.31 -0.41 0.00 0.00 0.00 0.00 61.98 61.26 1de3 s VAL 130 Cb 0.00 -3.80 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 1de3 s VAL 130 CO 0.00 -0.56 2.09 0.33 0.00 0.00 0.00 175.10 176.96 1de3 n PHE 131 N 16.22 1.06 -0.05 5.22 -0.00 -1.26 -3.95 117.46 134.70 1de3 n PHE 131 Ca 0.43 0.70 -0.01 0.00 -0.00 0.00 0.00 57.45 58.57 1de3 n PHE 131 Cb 0.46 -2.20 -0.00 0.00 -0.00 0.00 0.00 39.48 37.74 1de3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1de3 n GLY 133 N 1.75 0.73 3.32 0.00 0.00 -1.14 -5.05 105.19 104.81 1de3 n GLY 133 Ca -0.02 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.15 2.26 0.03 -0.61 1.09 -1.26 -0.33 121.20 120.24 1de3 s ILE 134 Ca 0.00 -1.01 0.06 0.00 -1.10 0.00 0.00 60.65 58.60 1de3 s ILE 134 Cb 0.00 -1.82 -0.02 0.00 -1.06 0.00 0.00 42.46 39.56 1de3 s ILE 134 CO 0.00 0.58 -0.17 0.27 -0.10 0.00 0.00 174.94 175.52 1de3 s ILE 135 N -0.42 1.36 0.06 2.92 -4.36 0.47 0.01 121.20 121.22 1de3 s ILE 135 Ca 0.04 -1.00 -0.00 0.00 -0.26 0.00 0.00 60.65 59.43 1de3 s ILE 135 Cb -0.12 -1.18 -0.04 0.00 1.25 0.00 0.00 42.46 42.37 1de3 s ILE 135 CO 0.01 0.16 -0.04 0.00 0.24 0.00 0.00 174.94 175.32 1de3 s ALA 136 N -0.72 0.57 -0.49 2.27 0.00 -0.81 0.57 121.76 123.14 1de3 s ALA 136 Ca 0.05 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 1de3 s ALA 136 Cb -0.08 0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.31 1de3 s ALA 136 CO 0.01 -0.32 0.80 -1.01 0.00 0.00 0.00 175.76 175.25 1de3 s HIS 137 N -3.57 2.94 0.65 0.00 0.09 -1.26 0.32 115.29 114.46 1de3 s HIS 137 Ca 0.05 -0.04 0.23 0.00 -0.00 0.00 0.00 55.06 55.31 1de3 s HIS 137 Cb 0.05 -3.77 1.23 0.00 -0.00 0.00 0.00 32.58 30.09 1de3 s HIS 137 CO -0.08 -1.12 1.69 1.79 -0.00 0.00 0.00 174.74 177.02 1de3 h THR 138 N 5.97 0.05 -3.52 1.30 1.35 -1.74 -2.82 112.91 113.50 1de3 h THR 138 Ca -0.26 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 64.91 1de3 h THR 138 Cb 1.08 0.48 -0.36 0.00 -1.73 0.00 0.00 68.15 67.63 1de3 h THR 138 CO 1.00 0.00 -0.38 -0.75 -0.25 0.00 0.00 175.52 175.14 1de3 s LYS 139 N -4.17 2.54 3.18 4.72 2.36 -1.26 0.33 119.74 127.44 1de3 s LYS 139 Ca -0.03 -2.60 0.00 0.00 -2.55 0.00 0.00 55.97 50.79 1de3 s LYS 139 Cb 0.08 -3.69 0.00 0.00 -1.05 0.00 0.00 37.83 33.17 1de3 s LYS 139 CO 0.27 -1.17 0.00 0.39 1.55 0.00 0.00 175.35 176.38 1de3 n GLU 140 N 3.34 0.00 -2.03 4.03 1.02 -0.54 -1.83 120.64 124.63 1de3 n GLU 140 Ca 0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1de3 n GLU 140 Cb 0.37 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.82 1de3 n GLU 140 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1de3 n ASN 141 N 5.99 0.38 0.00 1.62 6.94 -1.26 -4.43 115.26 124.50 1de3 n ASN 141 Ca 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1de3 n ASN 141 Cb 0.00 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 1de3 n ASN 141 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 1de3 n GLN 142 N -0.30 0.00 -0.87 -3.83 7.27 -0.76 -4.95 117.38 113.94 1de3 n GLN 142 Ca -0.04 0.00 -0.35 0.00 0.07 0.00 0.00 57.00 56.68 1de3 n GLN 142 Cb 0.91 -0.14 0.09 0.00 2.41 0.00 0.00 30.24 33.51 1de3 n GLN 142 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1de3 n GLY 143 N 1.31 -3.12 3.69 1.69 0.00 -0.89 -4.72 105.19 103.15 1de3 n GLY 143 Ca 0.00 -0.70 -0.57 0.00 0.00 0.00 0.00 46.02 44.75 1de3 n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1de3 n GLU 144 N 0.18 1.06 -1.82 1.61 4.71 -1.26 -4.36 120.64 120.77 1de3 n GLU 144 Ca 0.02 0.39 -0.42 0.00 -0.01 0.00 0.00 57.16 57.14 1de3 n GLU 144 Cb 0.58 -2.05 -0.03 0.00 -1.01 0.00 0.00 31.44 28.93 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1de3 s LEU 145 N 2.89 3.45 -0.34 -4.62 1.43 -1.26 -3.09 118.68 117.13 1de3 s LEU 145 Ca 0.96 1.37 -0.17 0.00 -1.03 0.00 0.00 54.13 55.26 1de3 s LEU 145 Cb -1.08 -3.28 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 1de3 s LEU 145 CO 0.63 -2.02 0.44 -0.75 0.23 0.00 0.00 176.35 174.88 1de3 s LYS 146 N 6.38 3.62 -0.56 1.70 2.20 0.15 -4.80 119.74 128.43 1de3 s LYS 146 Ca 0.88 -0.26 -0.33 0.00 -0.36 0.00 0.00 55.97 55.90 1de3 s LYS 146 Cb -0.24 -3.80 -0.14 0.00 -1.51 0.00 0.00 37.83 32.14 1de3 s LYS 146 CO 0.32 -0.57 2.36 -0.11 -0.36 0.00 0.00 175.35 176.99 1de3 n LEU 147 N 5.56 1.58 -4.29 5.43 7.94 -1.26 -1.92 117.00 130.04 1de3 n LEU 147 Ca -0.07 0.18 -0.33 0.00 -1.11 0.00 0.00 56.01 54.68 1de3 n LEU 147 Cb 0.49 -1.21 0.14 0.00 0.53 0.00 0.00 43.42 43.37 1de3 n LEU 147 CO 0.43 -0.91 -0.53 0.00 -1.11 0.00 0.00 177.39 175.26 1de3 s SER 149 N -1.80 0.61 0.00 0.00 1.04 -0.86 -4.77 113.70 107.92 1de3 s SER 149 Ca 0.54 -0.08 0.16 0.00 0.48 0.00 0.00 55.95 57.04 1de3 s SER 149 Cb -0.14 -0.17 0.13 0.00 0.10 0.00 0.00 66.02 65.94 1de3 s SER 149 CO 0.68 0.01 1.00 0.00 0.98 0.00 0.00 173.24 175.90