#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 0.00 -0.84 0.00 1.01 -1.26 -4.89 120.40 114.41 1de3 s VAL 2 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1de3 s VAL 2 Cb 0.00 -1.23 0.22 0.00 0.00 0.00 0.00 36.38 35.37 1de3 s VAL 2 CO 0.00 0.00 0.77 -0.89 0.00 0.00 0.00 175.10 174.98 1de3 s THR 3 N -3.71 5.36 -0.43 3.92 2.01 -1.26 0.88 115.64 122.41 1de3 s THR 3 Ca 0.04 -2.73 -0.27 0.00 0.31 0.00 0.00 61.69 59.03 1de3 s THR 3 Cb -0.02 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.20 1de3 s THR 3 CO -0.08 -1.03 1.00 0.26 -0.69 0.00 0.00 174.62 174.08 1de3 s TRP 4 N -0.14 2.94 -0.06 4.92 0.52 -0.31 -4.03 118.94 122.78 1de3 s TRP 4 Ca 0.20 0.64 0.01 0.00 0.02 0.00 0.00 56.10 56.97 1de3 s TRP 4 Cb -0.11 -4.02 -0.03 0.00 -1.15 0.00 0.00 33.47 28.16 1de3 s TRP 4 CO -0.08 -1.06 -0.07 0.99 0.02 0.00 0.00 176.95 176.75 1de3 s THR 5 N 3.90 3.73 0.09 2.01 2.01 0.27 0.32 115.64 127.97 1de3 s THR 5 Ca 0.41 -0.50 0.05 0.00 0.31 0.00 0.00 61.69 61.97 1de3 s THR 5 Cb -0.10 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.84 1de3 s THR 5 CO 0.25 0.58 -0.14 0.00 -0.69 0.00 0.00 174.62 174.62 1de3 s LEU 7 N -2.07 5.13 0.19 0.00 1.43 -1.26 0.48 118.68 122.59 1de3 s LEU 7 Ca 0.03 -3.14 -0.07 0.00 -1.03 0.00 0.00 54.13 49.92 1de3 s LEU 7 Cb -0.07 -1.82 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 1de3 s LEU 7 CO 0.02 -0.29 0.46 0.20 0.23 0.00 0.00 176.35 176.98 1de3 s ASN 8 N 0.19 6.54 0.08 2.29 -0.87 -1.10 -4.58 114.94 117.49 1de3 s ASN 8 Ca 0.20 0.72 -0.07 0.00 -1.57 0.00 0.00 52.86 52.14 1de3 s ASN 8 Cb -0.17 -2.15 -0.05 0.00 -0.02 0.00 0.00 41.25 38.86 1de3 s ASN 8 CO -0.06 -0.02 0.34 -0.62 -2.57 0.00 0.00 177.10 174.18 1de3 s ASP 9 N -2.50 6.53 -0.13 -1.22 -1.08 -1.18 -1.81 116.67 115.29 1de3 s ASP 9 Ca 0.44 0.63 -0.04 0.00 -0.52 0.00 0.00 52.55 53.06 1de3 s ASP 9 Cb -0.12 -2.11 0.06 0.00 -1.46 0.00 0.00 42.92 39.30 1de3 s ASP 9 CO 0.24 0.15 0.21 -1.10 0.52 0.00 0.00 175.17 175.19 1de3 s GLN 10 N -2.15 0.11 -1.12 4.34 -0.21 -0.05 -1.68 119.66 118.90 1de3 s GLN 10 Ca 0.34 0.51 -0.18 0.00 0.02 0.00 0.00 55.36 56.05 1de3 s GLN 10 Cb -0.13 -0.47 -0.06 0.00 1.00 0.00 0.00 33.01 33.35 1de3 s GLN 10 CO 0.20 -0.40 2.04 1.17 -2.12 0.00 0.00 175.29 176.18 1de3 n LYS 11 N 5.33 2.18 -1.63 2.91 4.81 -1.26 -0.76 118.16 129.75 1de3 n LYS 11 Ca -0.05 -2.29 -0.58 0.00 -0.87 0.00 0.00 58.31 54.52 1de3 n LYS 11 Cb 0.50 -3.16 -0.07 0.00 0.02 0.00 0.00 35.03 32.31 1de3 n LYS 11 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1de3 n ASN 12 N 7.39 1.38 0.17 3.14 5.15 0.39 -4.64 115.26 128.24 1de3 n ASN 12 Ca 0.50 1.13 0.03 0.00 -0.60 0.00 0.00 54.58 55.64 1de3 n ASN 12 Cb 0.41 -1.06 0.27 0.00 -0.53 0.00 0.00 39.78 38.87 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 4.97 0.00 -0.06 1.20 0.13 -1.92 0.30 132.00 136.62 1de3 h PRO 13 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1de3 h PRO 13 Cb 1.36 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.49 1de3 h PRO 13 CO 0.83 0.47 0.02 -0.22 -0.23 0.00 0.00 178.00 178.87 1de3 h LYS 14 N 0.00 0.10 -0.01 0.86 1.63 -1.96 -2.96 116.57 114.23 1de3 h LYS 14 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1de3 h LYS 14 Cb 0.96 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.57 1de3 h LYS 14 CO 0.06 0.26 -0.30 0.25 -3.45 0.00 0.00 179.45 176.27 1de3 n THR 15 N -4.93 0.00 -2.69 1.00 -2.24 -1.22 -4.94 114.28 99.25 1de3 n THR 15 Ca -0.06 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 1de3 n THR 15 Cb 0.13 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.04 -2.38 -4.19 3.42 2.85 0.10 -4.90 115.26 110.13 1de3 n ASN 16 Ca 0.12 0.19 -0.12 0.00 -0.11 0.00 0.00 54.58 54.66 1de3 n ASN 16 Cb 0.43 -2.09 -0.10 0.00 1.24 0.00 0.00 39.78 39.27 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 -5.25 0.89 -0.27 1.20 2.20 -0.92 -4.91 119.74 112.68 1de3 s LYS 17 Ca 0.09 -1.32 -0.19 0.00 -0.36 0.00 0.00 55.97 54.19 1de3 s LYS 17 Cb -0.05 -0.38 -0.02 0.00 -1.51 0.00 0.00 37.83 35.87 1de3 s LYS 17 CO 0.11 0.03 0.58 0.71 -0.36 0.00 0.00 175.35 176.42 1de3 s TYR 18 N -3.29 3.26 0.08 4.03 2.02 -1.26 -0.46 117.35 121.73 1de3 s TYR 18 Ca 0.12 0.68 0.09 0.00 -0.37 0.00 0.00 57.07 57.58 1de3 s TYR 18 Cb 0.03 -2.83 -0.04 0.00 -0.40 0.00 0.00 41.96 38.72 1de3 s TYR 18 CO -0.02 -0.35 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.19 1de3 s GLU 19 N 2.45 1.85 -0.95 -0.62 2.02 0.06 -4.86 118.70 118.65 1de3 s GLU 19 Ca 0.24 -1.11 -0.07 0.00 0.02 0.00 0.00 54.97 54.04 1de3 s GLU 19 Cb -0.15 -2.09 0.24 0.00 0.10 0.00 0.00 34.13 32.22 1de3 s GLU 19 CO 0.10 0.51 0.88 0.99 0.02 0.00 0.00 175.26 177.75 1de3 s THR 20 N -0.99 5.25 0.77 3.63 2.01 -1.26 -0.88 115.64 124.16 1de3 s THR 20 Ca 0.15 -3.31 -0.11 0.00 0.31 0.00 0.00 61.69 58.73 1de3 s THR 20 Cb -0.10 -4.21 0.05 0.00 0.01 0.00 0.00 72.50 68.25 1de3 s THR 20 CO 0.06 -1.10 1.08 -0.54 -0.69 0.00 0.00 174.62 173.44 1de3 s LYS 21 N -0.88 2.35 -0.56 4.92 1.02 -0.75 -4.85 119.74 120.99 1de3 s LYS 21 Ca 0.26 0.82 -0.10 0.00 0.02 0.00 0.00 55.97 56.97 1de3 s LYS 21 Cb -0.10 -1.93 0.14 0.00 -0.52 0.00 0.00 37.83 35.42 1de3 s LYS 21 CO -0.09 -1.48 0.44 1.03 -0.92 0.00 0.00 175.35 174.33 1de3 s ARG 22 N -5.07 2.71 -0.89 1.68 0.52 -1.26 -2.70 118.95 113.94 1de3 s ARG 22 Ca 0.60 -1.98 -0.24 0.00 -0.52 0.00 0.00 55.73 53.59 1de3 s ARG 22 Cb -0.15 -4.01 0.05 0.00 0.52 0.00 0.00 34.95 31.36 1de3 s ARG 22 CO 0.55 -1.22 1.33 -0.51 0.02 0.00 0.00 175.30 175.47 1de3 s LEU 23 N 0.99 3.58 -0.13 2.53 1.02 0.18 -4.88 118.68 121.97 1de3 s LEU 23 Ca 0.09 -1.13 -0.25 0.00 0.02 0.00 0.00 54.13 52.86 1de3 s LEU 23 Cb -0.23 -2.54 -0.02 0.00 0.02 0.00 0.00 46.19 43.41 1de3 s LEU 23 CO -0.02 -1.58 0.80 -0.22 0.02 0.00 0.00 176.35 175.35 1de3 s LEU 24 N 4.98 4.22 0.35 1.79 1.98 -1.26 -0.08 118.68 130.66 1de3 s LEU 24 Ca 0.40 1.19 0.09 0.00 -2.89 0.00 0.00 54.13 52.92 1de3 s LEU 24 Cb -0.04 -3.20 -0.06 0.00 0.66 0.00 0.00 46.19 43.55 1de3 s LEU 24 CO -0.00 -0.31 -0.00 -0.31 -1.89 0.00 0.00 176.35 173.84 1de3 s TYR 25 N 1.72 2.52 -0.17 5.38 1.51 0.15 -4.79 117.35 123.67 1de3 s TYR 25 Ca 0.39 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1de3 s TYR 25 Cb -0.17 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1de3 s TYR 25 CO 0.15 0.48 -0.10 1.21 -1.11 0.00 0.00 175.55 176.18 1de3 s ASN 26 N -3.70 4.04 0.24 2.29 2.47 -1.26 -1.17 114.94 117.85 1de3 s ASN 26 Ca 0.35 -0.38 -0.07 0.00 0.42 0.00 0.00 52.86 53.18 1de3 s ASN 26 Cb 0.01 -1.65 0.27 0.00 -1.45 0.00 0.00 41.25 38.43 1de3 s ASN 26 CO 0.19 0.08 1.89 -0.61 -3.72 0.00 0.00 177.10 174.93 1de3 h GLN 27 N 7.36 1.11 -0.52 0.43 -0.00 0.13 -1.25 115.11 122.39 1de3 h GLN 27 Ca -0.34 -0.07 0.09 0.00 -0.00 0.00 0.00 58.65 58.33 1de3 h GLN 27 Cb 1.18 -0.25 -0.07 0.00 0.00 0.00 0.00 27.48 28.34 1de3 h GLN 27 CO 0.58 0.74 0.12 -0.97 0.00 0.00 0.00 178.83 179.30 1de3 h ASN 28 N 1.15 0.03 0.34 -0.69 -0.73 -1.90 0.47 115.58 114.24 1de3 h ASN 28 Ca 0.35 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.60 1de3 h ASN 28 Cb -0.03 0.12 -0.00 0.00 0.27 0.00 0.00 38.32 38.68 1de3 h ASN 28 CO -0.11 0.04 -0.04 0.11 -0.37 0.00 0.00 177.43 177.06 1de3 h LYS 29 N 0.26 0.00 0.00 6.67 6.56 -1.65 0.26 116.57 128.67 1de3 h LYS 29 Ca 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.85 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 -0.33 0.04 -0.13 0.00 -2.06 0.00 0.00 179.45 176.98 1de3 h ALA 30 N 1.96 0.00 -0.92 3.86 0.00 0.11 0.17 119.26 124.44 1de3 h ALA 30 Ca -0.00 -0.17 0.27 0.00 0.00 0.00 0.00 54.91 55.01 1de3 h ALA 30 Cb 0.22 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1de3 h ALA 30 CO 0.01 0.13 0.66 1.05 0.00 0.00 0.00 179.25 181.10 1de3 h GLU 31 N -0.60 0.00 0.02 0.00 4.11 -0.02 0.21 114.58 118.30 1de3 h GLU 31 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 1de3 h GLU 31 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1de3 h GLU 31 CO 0.00 0.00 -0.68 1.03 0.07 0.00 0.00 179.01 179.43 1de3 h SER 32 N 0.00 0.06 -0.90 3.06 0.87 -0.58 -2.39 113.55 113.66 1de3 h SER 32 Ca 0.44 -0.79 0.16 0.00 -1.23 0.00 0.00 61.79 60.36 1de3 h SER 32 Cb 1.76 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.63 1de3 h SER 32 CO -0.00 1.28 0.58 0.78 -0.53 0.00 0.00 176.83 178.93 1de3 h ASN 33 N -0.90 0.62 0.17 6.23 4.21 0.39 0.22 115.58 126.52 1de3 h ASN 33 Ca -0.18 0.05 -0.17 0.00 1.21 0.00 0.00 56.30 57.21 1de3 h ASN 33 Cb 1.23 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 1de3 h ASN 33 CO -0.07 0.30 -0.63 0.77 -1.29 0.00 0.00 177.43 176.50 1de3 h SER 34 N 0.65 0.52 -0.01 5.81 4.64 -0.72 -2.05 113.55 122.39 1de3 h SER 34 Ca 0.46 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1de3 h SER 34 Cb 0.82 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1de3 h SER 34 CO -0.22 1.02 0.00 1.41 -0.87 0.00 0.00 176.83 178.17 1de3 n HIS 35 N -3.90 0.01 0.08 4.77 8.25 0.56 -2.15 115.22 122.84 1de3 n HIS 35 Ca -0.04 -0.01 0.05 0.00 -0.26 0.00 0.00 57.72 57.46 1de3 n HIS 35 Cb 0.65 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.69 1de3 n HIS 35 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1de3 n HIS 36 N -0.78 0.00 -3.49 4.41 -0.00 0.02 -5.00 115.22 110.37 1de3 n HIS 36 Ca 0.18 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.57 1de3 n HIS 36 Cb 0.11 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.99 29.87 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 -2.49 3.65 0.05 -1.41 0.00 -0.79 -5.06 121.76 115.70 1de3 s ALA 37 Ca -0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1de3 s ALA 37 Cb 0.06 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 1de3 s ALA 37 CO 0.38 0.55 1.15 -1.25 0.00 0.00 0.00 175.76 176.59 1de3 s PRO 38 N -2.46 4.46 -1.10 0.00 0.04 -1.26 -4.93 135.00 129.73 1de3 s PRO 38 Ca 0.42 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 1de3 s PRO 38 Cb -0.13 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 1de3 s PRO 38 CO 0.21 -0.22 1.80 -0.51 0.04 0.00 0.00 177.00 178.32 1de3 s LEU 39 N 1.06 3.35 -0.06 -3.56 1.43 -1.26 -4.32 118.68 115.32 1de3 s LEU 39 Ca 0.57 -1.54 -0.31 0.00 -1.03 0.00 0.00 54.13 51.82 1de3 s LEU 39 Cb -0.28 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.45 1de3 s LEU 39 CO 0.29 -2.25 0.74 -0.94 0.23 0.00 0.00 176.35 174.42 1de3 s SER 40 N 6.08 -0.60 -0.08 2.29 1.04 -1.26 -4.91 113.70 116.26 1de3 s SER 40 Ca 0.61 0.63 -0.18 0.00 0.48 0.00 0.00 55.95 57.49 1de3 s SER 40 Cb -0.01 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 1de3 s SER 40 CO 0.04 -0.57 0.49 -0.62 0.98 0.00 0.00 173.24 173.56 1de3 s ASP 41 N -1.24 6.76 -0.67 7.02 2.15 -0.86 -4.05 116.67 125.78 1de3 s ASP 41 Ca -0.09 0.90 -0.04 0.00 0.43 0.00 0.00 52.55 53.76 1de3 s ASP 41 Cb -0.00 -2.30 0.01 0.00 -0.30 0.00 0.00 42.92 40.33 1de3 s ASP 41 CO 0.07 0.06 0.46 0.61 -0.17 0.00 0.00 175.17 176.21 1de3 n GLY 42 N 2.92 -0.95 1.34 2.66 0.00 -1.16 -4.55 105.19 105.44 1de3 n GLY 42 Ca -0.08 0.43 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.39 0.07 -4.22 1.61 0.00 -1.26 -5.02 118.16 106.96 1de3 n LYS 43 Ca -0.23 -1.57 -0.17 0.00 0.00 0.00 0.00 58.31 56.34 1de3 n LYS 43 Cb 0.51 0.19 -0.07 0.00 0.00 0.00 0.00 35.03 35.66 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 -0.09 0.00 0.00 3.15 2.01 -1.26 -5.02 115.64 114.42 1de3 s THR 44 Ca 0.18 -1.90 0.00 0.00 0.31 0.00 0.00 61.69 60.29 1de3 s THR 44 Cb 0.22 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 70.20 1de3 s THR 44 CO -0.09 0.00 1.00 0.61 -0.69 0.00 0.00 174.62 175.45 1de3 n GLY 45 N -0.56 -2.56 0.00 4.40 0.00 -1.16 -1.88 105.19 103.44 1de3 n GLY 45 Ca 0.05 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.15 0.00 0.00 1.61 3.41 0.82 -3.87 113.62 113.44 1de3 n SER 46 Ca 0.00 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1de3 n SER 46 Cb 0.00 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 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 -1.44 -0.46 -4.88 4.04 2.88 -0.79 -5.04 113.62 107.93 1de3 n SER 47 Ca 0.02 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.23 1de3 n SER 47 Cb 0.07 -0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 63.40 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 -3.05 3.54 0.03 0.66 2.02 -1.26 -3.00 117.35 116.30 1de3 s TYR 48 Ca 0.00 0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 57.07 1de3 s TYR 48 Cb 0.00 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 1de3 s TYR 48 CO 0.00 0.50 0.98 -1.25 -1.57 0.00 0.00 175.55 174.21 1de3 s PRO 49 N -2.18 4.59 -0.03 -1.71 0.04 -1.26 -4.53 135.00 129.92 1de3 s PRO 49 Ca 0.35 1.44 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 1de3 s PRO 49 Cb -0.13 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1de3 s PRO 49 CO 0.20 0.02 0.41 -3.38 0.04 0.00 0.00 177.00 174.29 1de3 s HIS 50 N 0.72 3.68 0.18 0.56 -3.43 -1.18 -3.12 115.29 112.70 1de3 s HIS 50 Ca 0.51 0.95 -0.33 0.00 -0.80 0.00 0.00 55.06 55.38 1de3 s HIS 50 Cb -0.22 -2.33 -0.14 0.00 -1.43 0.00 0.00 32.58 28.46 1de3 s HIS 50 CO 0.29 0.55 1.43 1.87 -2.00 0.00 0.00 174.74 176.87 1de3 n TRP 51 N 2.21 2.00 -3.39 0.38 -0.00 -1.26 -1.93 117.44 115.45 1de3 n TRP 51 Ca -0.13 0.44 -0.45 0.00 -0.00 0.00 0.00 57.50 57.36 1de3 n TRP 51 Cb 0.52 -2.45 -0.05 0.00 -0.00 0.00 0.00 31.31 29.34 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 0.34 3.50 0.44 5.87 5.36 0.69 -4.77 117.98 129.41 1de3 s PHE 52 Ca 0.75 -1.78 0.32 0.00 -0.96 0.00 0.00 56.93 55.25 1de3 s PHE 52 Cb -0.73 -3.71 1.47 0.00 -0.34 0.00 0.00 43.02 39.71 1de3 s PHE 52 CO 0.45 -0.99 1.60 1.79 -1.46 0.00 0.00 175.22 176.61 1de3 h THR 53 N 5.44 0.05 -1.41 0.12 1.35 -1.86 -3.41 112.91 113.19 1de3 h THR 53 Ca -0.10 -0.01 -0.37 0.00 -0.55 0.00 0.00 66.41 65.38 1de3 h THR 53 Cb 1.06 0.01 -0.13 0.00 -1.73 0.00 0.00 68.15 67.36 1de3 h THR 53 CO 0.87 0.01 -0.35 -3.20 -0.25 0.00 0.00 175.52 172.60 1de3 n ASN 54 N -4.71 -4.80 0.00 5.36 5.15 -1.26 -0.26 115.26 114.74 1de3 n ASN 54 Ca 0.39 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.77 1de3 n ASN 54 Cb 1.52 -4.27 0.00 0.00 -0.53 0.00 0.00 39.78 36.50 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 -0.41 2.70 3.39 8.20 0.00 -1.26 -3.69 105.19 114.12 1de3 n GLY 55 Ca -0.18 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.41 0.20 1.61 4.02 0.64 -3.90 117.16 118.31 1de3 n TYR 56 Ca 0.00 0.21 0.12 0.00 -0.01 0.00 0.00 57.90 58.22 1de3 n TYR 56 Cb 0.00 -1.74 0.13 0.00 -0.02 0.00 0.00 39.34 37.71 1de3 n TYR 56 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1de3 h ASP 57 N -1.69 0.00 -0.25 7.72 5.19 -1.23 -3.45 116.42 122.70 1de3 h ASP 57 Ca -0.46 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1de3 h ASP 57 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 1de3 h ASP 57 CO 0.35 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 177.08 1de3 n GLY 58 N 1.12 0.91 1.37 2.75 0.00 -1.26 -4.88 105.19 105.21 1de3 n GLY 58 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 1.25 0.00 0.00 1.61 2.03 -1.25 -3.15 116.55 117.03 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 0.34 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 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 -0.76 1.97 0.00 0.27 0.00 -1.26 -4.86 105.19 100.55 1de3 n GLY 60 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1de3 n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1de3 n LYS 61 N 0.00 1.77 -3.14 1.61 4.76 -1.26 -4.64 118.16 117.26 1de3 n LYS 61 Ca 0.00 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.13 1de3 n LYS 61 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 1de3 n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1de3 s LEU 62 N 0.00 4.02 0.00 -0.35 1.02 -1.26 -0.79 118.68 121.32 1de3 s LEU 62 Ca 0.00 1.11 0.00 0.00 0.02 0.00 0.00 54.13 55.26 1de3 s LEU 62 Cb 0.00 -3.93 0.00 0.00 0.02 0.00 0.00 46.19 42.28 1de3 s LEU 62 CO 0.00 -0.23 0.00 -0.81 0.02 0.00 0.00 176.35 175.33 1de3 n PRO 63 N -0.61 0.28 -1.57 1.29 -0.04 -1.25 -4.80 135.00 128.30 1de3 n PRO 63 Ca 0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.05 1de3 n PRO 63 Cb 0.53 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.96 1de3 n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1de3 n LYS 64 N -0.55 1.66 -0.38 0.54 4.81 -1.26 -3.30 118.16 119.68 1de3 n LYS 64 Ca 0.00 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 1de3 n LYS 64 Cb 0.00 -3.15 0.00 0.00 0.02 0.00 0.00 35.03 31.90 1de3 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1de3 n GLY 65 N 5.93 0.53 3.66 3.14 0.00 -1.26 -5.04 105.19 112.15 1de3 n GLY 65 Ca 0.33 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.23 4.17 -0.43 1.61 3.00 -1.21 -4.95 118.95 118.91 1de3 s ARG 66 Ca 0.00 1.87 0.10 0.00 0.00 0.00 0.00 55.73 57.71 1de3 s ARG 66 Cb 0.00 -3.88 0.36 0.00 0.00 0.00 0.00 34.95 31.42 1de3 s ARG 66 CO 0.00 -0.82 0.82 -2.37 0.00 0.00 0.00 175.30 172.93 1de3 n THR 67 N 5.52 0.90 -2.41 0.02 5.66 -1.26 -5.11 114.28 117.60 1de3 n THR 67 Ca 0.16 -4.78 -0.42 0.00 -3.05 0.00 0.00 64.05 55.96 1de3 n THR 67 Cb 0.44 -0.55 -0.03 0.00 -1.55 0.00 0.00 70.33 68.64 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 -2.80 4.42 -0.04 1.09 0.04 -1.24 -4.67 135.00 131.79 1de3 s PRO 68 Ca 0.42 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 1de3 s PRO 68 Cb 0.34 -3.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.43 1de3 s PRO 68 CO -0.09 -0.29 2.01 0.42 0.04 0.00 0.00 177.00 179.09 1de3 s ILE 69 N 1.21 3.06 -0.85 0.56 1.01 -1.26 -4.91 121.20 120.02 1de3 s ILE 69 Ca 0.59 0.07 -0.23 0.00 0.00 0.00 0.00 60.65 61.08 1de3 s ILE 69 Cb -0.29 -3.05 0.07 0.00 0.01 0.00 0.00 42.46 39.19 1de3 s ILE 69 CO 0.28 -0.02 1.23 -1.59 0.00 0.00 0.00 174.94 174.85 1de3 s LYS 70 N 4.95 3.39 0.29 2.79 -2.85 -1.26 -4.83 119.74 122.21 1de3 s LYS 70 Ca 0.90 -0.99 0.08 0.00 -1.00 0.00 0.00 55.97 54.96 1de3 s LYS 70 Cb -0.39 -4.72 0.43 0.00 -2.06 0.00 0.00 37.83 31.08 1de3 s LYS 70 CO 0.39 -2.01 1.67 0.74 0.10 0.00 0.00 175.35 176.24 1de3 h PHE 71 N 9.59 0.19 0.00 1.78 -1.00 -1.95 -3.47 116.94 122.08 1de3 h PHE 71 Ca -0.04 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1de3 h PHE 71 Cb 1.04 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.56 1de3 h PHE 71 CO 1.15 0.62 0.00 0.41 -1.61 0.00 0.00 178.31 178.88 1de3 n GLY 72 N -0.04 1.54 3.16 -1.45 0.00 -1.26 -4.96 105.19 102.19 1de3 n GLY 72 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 1.42 0.00 1.61 1.02 -1.26 -5.02 119.74 117.46 1de3 s LYS 73 Ca 0.00 -0.62 0.28 0.00 0.02 0.00 0.00 55.97 55.65 1de3 s LYS 73 Cb 0.00 -1.37 1.29 0.00 -0.52 0.00 0.00 37.83 37.23 1de3 s LYS 73 CO 0.00 0.37 1.93 0.45 -0.92 0.00 0.00 175.35 177.18 1de3 n SER 74 N 2.66 0.00 -0.11 2.83 2.88 -1.26 -2.02 113.62 118.60 1de3 n SER 74 Ca -0.15 0.25 -0.23 0.00 -1.33 0.00 0.00 58.87 57.41 1de3 n SER 74 Cb 0.54 -0.42 -0.11 0.00 -0.75 0.00 0.00 64.21 63.47 1de3 n SER 74 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1de3 n ASP 75 N -1.42 1.88 0.20 -3.46 9.92 -1.26 -2.53 116.55 119.88 1de3 n ASP 75 Ca 0.09 0.41 0.04 0.00 -0.53 0.00 0.00 54.79 54.80 1de3 n ASP 75 Cb 0.29 -0.94 0.40 0.00 -0.64 0.00 0.00 41.12 40.23 1de3 n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1de3 n ASP 77 N -4.01 0.05 -4.56 0.00 2.03 -0.86 -4.91 116.55 104.29 1de3 n ASP 77 Ca -0.02 0.24 -0.30 0.00 0.52 0.00 0.00 54.79 55.24 1de3 n ASP 77 Cb 0.39 -0.38 0.22 0.00 -0.72 0.00 0.00 41.12 40.63 1de3 n ASP 77 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1de3 s ARG 78 N -2.86 -0.13 -0.34 -0.67 1.70 -0.24 -4.96 118.95 111.45 1de3 s ARG 78 Ca 0.18 1.20 -0.29 0.00 -0.47 0.00 0.00 55.73 56.35 1de3 s ARG 78 Cb 0.19 -1.62 0.00 0.00 -0.57 0.00 0.00 34.95 32.96 1de3 s ARG 78 CO 0.52 -3.30 1.38 -1.25 -1.08 0.00 0.00 175.30 171.57 1de3 s PRO 79 N -4.52 3.75 0.31 3.89 0.04 -1.26 -4.99 135.00 132.22 1de3 s PRO 79 Ca 0.68 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 1de3 s PRO 79 Cb -0.24 -3.96 -0.09 0.00 0.04 0.00 0.00 34.50 30.24 1de3 s PRO 79 CO 0.62 -1.34 1.12 -1.25 0.04 0.00 0.00 177.00 176.19 1de3 s PRO 80 N 4.56 4.49 -0.77 0.56 0.04 -1.26 -4.95 135.00 137.67 1de3 s PRO 80 Ca 0.60 1.81 0.03 0.00 0.04 0.00 0.00 61.00 63.48 1de3 s PRO 80 Cb -0.16 -3.04 0.27 0.00 0.04 0.00 0.00 34.50 31.61 1de3 s PRO 80 CO 0.28 0.07 0.95 1.17 0.04 0.00 0.00 177.00 179.51 1de3 n LYS 81 N 0.87 3.08 -2.52 4.56 4.81 -1.26 -3.93 118.16 123.77 1de3 n LYS 81 Ca 0.00 -4.64 -0.42 0.00 -0.87 0.00 0.00 58.31 52.38 1de3 n LYS 81 Cb 0.45 -2.33 -0.03 0.00 0.02 0.00 0.00 35.03 33.14 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 -2.55 3.51 0.00 5.64 5.65 -1.19 -4.48 115.29 121.88 1de3 s HIS 82 Ca 0.37 1.44 0.00 0.00 0.25 0.00 0.00 55.06 57.12 1de3 s HIS 82 Cb 0.12 -3.32 0.00 0.00 -1.18 0.00 0.00 32.58 28.20 1de3 s HIS 82 CO 0.02 -0.85 0.00 -1.13 -0.65 0.00 0.00 174.74 172.13 1de3 n SER 83 N 3.87 0.00 0.00 9.88 3.41 -1.26 -4.59 113.62 124.93 1de3 n SER 83 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1de3 n SER 83 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1de3 n SER 83 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1de3 n LYS 84 N 0.00 0.00 0.00 4.33 4.01 -1.26 -3.73 118.16 121.51 1de3 n LYS 84 Ca 0.00 0.32 0.10 0.00 -0.51 0.00 0.00 58.31 58.22 1de3 n LYS 84 Cb 0.00 -1.23 0.44 0.00 -0.51 0.00 0.00 35.03 33.73 1de3 n LYS 84 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1de3 n ASP 85 N -1.47 0.00 -2.88 4.39 9.92 -1.26 -4.91 116.55 120.34 1de3 n ASP 85 Ca 0.00 0.47 -0.01 0.00 -0.53 0.00 0.00 54.79 54.72 1de3 n ASP 85 Cb 0.00 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 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 0.57 -1.11 1.29 0.44 0.00 -1.24 -2.03 105.19 103.10 1de3 n GLY 86 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.78 0.00 0.00 1.61 6.94 -1.26 -2.72 115.26 118.05 1de3 n ASN 87 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1de3 n ASN 87 Cb 0.51 0.20 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 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 -0.39 2.18 0.12 4.83 0.00 -1.26 -2.54 105.19 108.13 1de3 n GLY 88 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 14.00 0.66 -0.97 1.61 0.00 -1.26 -4.75 118.16 127.45 1de3 n LYS 89 Ca 0.00 0.10 -0.04 0.00 -0.00 0.00 0.00 58.31 58.37 1de3 n LYS 89 Cb 0.00 -1.52 -0.04 0.00 -0.00 0.00 0.00 35.03 33.47 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 -3.09 0.00 -1.49 0.58 5.66 -1.25 -5.08 114.28 109.62 1de3 n THR 90 Ca -0.42 -0.16 -0.56 0.00 -3.05 0.00 0.00 64.05 59.86 1de3 n THR 90 Cb 1.05 0.49 -0.07 0.00 -1.55 0.00 0.00 70.33 70.25 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 0.08 -0.13 -2.23 1.09 2.03 -1.05 -4.76 116.55 111.58 1de3 n ASP 91 Ca -0.16 1.15 -0.30 0.00 0.52 0.00 0.00 54.79 56.00 1de3 n ASP 91 Cb 0.74 -0.95 0.05 0.00 -0.72 0.00 0.00 41.12 40.23 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1de3 n HIS 92 N 1.22 3.03 -1.74 -0.67 1.44 -1.25 -4.03 115.22 113.22 1de3 n HIS 92 Ca 0.19 -2.66 -0.33 0.00 -2.01 0.00 0.00 57.72 52.91 1de3 n HIS 92 Cb 0.13 -0.92 0.05 0.00 0.12 0.00 0.00 29.99 29.37 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 -3.73 2.62 -0.47 -1.40 1.13 -1.26 -4.40 117.35 109.84 1de3 s TYR 93 Ca 0.58 1.55 -0.18 0.00 -1.41 0.00 0.00 57.07 57.61 1de3 s TYR 93 Cb 0.46 -3.16 0.05 0.00 -1.10 0.00 0.00 41.96 38.21 1de3 s TYR 93 CO -0.02 -1.69 0.53 -0.51 -2.51 0.00 0.00 175.55 171.35 1de3 s LEU 94 N -4.90 5.04 0.18 -3.49 1.43 -1.26 -3.56 118.68 112.12 1de3 s LEU 94 Ca 0.67 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1de3 s LEU 94 Cb -0.20 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 1de3 s LEU 94 CO 0.42 -0.75 0.34 -1.48 0.23 0.00 0.00 176.35 175.11 1de3 s LEU 95 N 2.32 4.28 -0.07 1.79 0.05 -1.11 -0.22 118.68 125.72 1de3 s LEU 95 Ca 0.13 0.28 0.03 0.00 0.05 0.00 0.00 54.13 54.62 1de3 s LEU 95 Cb -0.19 -3.04 0.01 0.00 -2.05 0.00 0.00 46.19 40.91 1de3 s LEU 95 CO 0.12 -0.01 -0.14 -1.83 -0.55 0.00 0.00 176.35 173.94 1de3 s GLU 96 N -3.33 1.89 -0.04 1.48 -1.05 -0.81 -2.97 118.70 113.86 1de3 s GLU 96 Ca 0.36 -0.49 -0.00 0.00 -0.15 0.00 0.00 54.97 54.69 1de3 s GLU 96 Cb -0.11 -1.53 -0.03 0.00 -0.44 0.00 0.00 34.13 32.01 1de3 s GLU 96 CO 0.29 0.06 0.01 0.12 0.95 0.00 0.00 175.26 176.69 1de3 s PHE 97 N 0.57 3.14 -1.16 4.83 2.19 -0.52 -3.10 117.98 123.94 1de3 s PHE 97 Ca -0.14 0.15 -0.22 0.00 0.33 0.00 0.00 56.93 57.04 1de3 s PHE 97 Cb -0.16 -1.73 -0.04 0.00 -1.31 0.00 0.00 43.02 39.78 1de3 s PHE 97 CO 0.04 0.48 1.86 -1.25 1.83 0.00 0.00 175.22 178.18 1de3 s PRO 98 N -1.27 2.92 0.28 10.12 0.04 -1.26 -0.89 135.00 144.95 1de3 s PRO 98 Ca 0.17 -1.22 -0.29 0.00 0.04 0.00 0.00 61.00 59.70 1de3 s PRO 98 Cb -0.11 -5.29 -0.09 0.00 0.04 0.00 0.00 34.50 29.04 1de3 s PRO 98 CO 0.07 -3.38 1.05 -0.08 0.04 0.00 0.00 177.00 174.71 1de3 s THR 99 N 8.91 3.66 0.10 1.26 -1.32 -1.21 -4.82 115.64 122.22 1de3 s THR 99 Ca 0.64 1.62 0.04 0.00 -1.21 0.00 0.00 61.69 62.79 1de3 s THR 99 Cb -0.01 -4.02 -0.04 0.00 -1.51 0.00 0.00 72.50 66.93 1de3 s THR 99 CO 0.08 0.35 0.05 -0.36 -2.21 0.00 0.00 174.62 172.54 1de3 s PHE 100 N -1.22 3.07 0.04 9.09 0.40 -1.26 -4.61 117.98 123.49 1de3 s PHE 100 Ca 0.45 0.00 -0.17 0.00 -0.60 0.00 0.00 56.93 56.61 1de3 s PHE 100 Cb -0.29 -1.55 -0.22 0.00 0.51 0.00 0.00 43.02 41.46 1de3 s PHE 100 CO 0.37 0.50 1.15 -1.00 0.70 0.00 0.00 175.22 176.95 1de3 h PRO 101 N 3.17 0.54 -1.33 0.24 0.13 -1.92 -3.17 132.00 129.66 1de3 h PRO 101 Ca -0.47 -0.56 0.40 0.00 -0.87 0.00 0.00 66.00 64.49 1de3 h PRO 101 Cb 1.17 0.15 -0.09 0.00 0.13 0.00 0.00 31.00 32.36 1de3 h PRO 101 CO 0.62 1.19 0.90 -0.44 -0.23 0.00 0.00 178.00 180.04 1de3 h ASP 102 N 0.12 0.20 0.00 1.44 5.19 -1.97 -3.44 116.42 117.96 1de3 h ASP 102 Ca -0.09 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1de3 h ASP 102 Cb 1.44 0.05 0.00 0.00 0.18 0.00 0.00 39.33 41.00 1de3 h ASP 102 CO 0.15 -0.05 0.00 0.61 -3.12 0.00 0.00 179.24 176.83 1de3 n GLY 103 N -1.63 0.80 3.91 2.75 0.00 -1.20 -5.07 105.19 104.75 1de3 n GLY 103 Ca 0.33 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 3.49 -1.10 1.61 -3.43 -1.26 -4.99 115.29 107.60 1de3 s HIS 104 Ca 0.00 0.77 -0.08 0.00 -0.80 0.00 0.00 55.06 54.94 1de3 s HIS 104 Cb 0.00 -2.41 0.28 0.00 -1.43 0.00 0.00 32.58 29.02 1de3 s HIS 104 CO 0.00 -0.41 1.10 -0.40 -2.00 0.00 0.00 174.74 173.03 1de3 n ASP 105 N -2.34 5.45 -3.07 7.38 5.75 -1.26 -4.46 116.55 124.01 1de3 n ASP 105 Ca 0.02 -3.05 -0.35 0.00 -0.01 0.00 0.00 54.79 51.40 1de3 n ASP 105 Cb 0.56 -1.35 -0.03 0.00 -1.03 0.00 0.00 41.12 39.27 1de3 n ASP 105 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1de3 n TYR 106 N 2.63 -0.21 -0.82 2.11 9.36 -1.26 -4.68 117.16 124.29 1de3 n TYR 106 Ca 0.24 0.68 -0.42 0.00 3.32 0.00 0.00 57.90 61.73 1de3 n TYR 106 Cb 0.39 -1.38 -0.08 0.00 -0.63 0.00 0.00 39.34 37.64 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 0.75 0.84 0.10 2.98 2.85 -1.26 -4.59 118.16 119.83 1de3 n LYS 107 Ca 0.13 -1.43 0.10 0.00 -1.05 0.00 0.00 58.31 56.06 1de3 n LYS 107 Cb 0.15 -2.69 0.44 0.00 -0.65 0.00 0.00 35.03 32.28 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 7.91 0.58 1.11 5.58 1.16 -1.26 -1.04 117.46 131.50 1de3 n PHE 108 Ca 0.47 0.24 0.12 0.00 -1.87 0.00 0.00 57.45 56.40 1de3 n PHE 108 Cb 0.39 -0.88 0.20 0.00 -1.61 0.00 0.00 39.48 37.57 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 -2.04 1.17 -4.42 5.98 -0.08 -1.26 -0.13 116.55 115.77 1de3 n ASP 109 Ca 0.02 -0.94 -0.44 0.00 -1.51 0.00 0.00 54.79 51.92 1de3 n ASP 109 Cb 0.18 0.35 -0.03 0.00 2.34 0.00 0.00 41.12 43.96 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1de3 s SER 110 N -2.65 6.38 0.00 1.67 0.15 -0.20 -3.23 113.70 115.83 1de3 s SER 110 Ca 0.18 -1.62 -0.02 0.00 0.70 0.00 0.00 55.95 55.20 1de3 s SER 110 Cb 0.18 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 62.12 1de3 s SER 110 CO 0.61 -1.16 1.03 0.50 1.20 0.00 0.00 173.24 175.42 1de3 h LYS 111 N 9.07 -0.06 -4.26 5.44 3.64 -1.85 -3.17 116.57 125.38 1de3 h LYS 111 Ca -0.10 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.78 1de3 h LYS 111 Cb 1.06 0.01 -0.36 0.00 -0.41 0.00 0.00 32.23 32.53 1de3 h LYS 111 CO 1.10 -0.04 -0.80 -1.59 -2.27 0.00 0.00 179.45 175.85 1de3 s LYS 112 N -3.14 1.45 0.80 1.90 -2.85 -1.26 -3.68 119.74 112.96 1de3 s LYS 112 Ca -0.01 -0.26 -0.14 0.00 -1.00 0.00 0.00 55.97 54.56 1de3 s LYS 112 Cb 0.00 -1.42 0.19 0.00 -2.06 0.00 0.00 37.83 34.54 1de3 s LYS 112 CO 0.03 -0.17 0.93 -0.35 0.10 0.00 0.00 175.35 175.89 1de3 n PRO 113 N 4.55 -1.57 -3.26 1.78 -0.04 -1.26 -5.18 135.00 130.01 1de3 n PRO 113 Ca -0.16 -1.45 0.03 0.00 -0.04 0.00 0.00 63.50 61.87 1de3 n PRO 113 Cb 0.51 -1.10 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 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 -5.06 0.54 0.41 0.54 2.20 -1.24 -4.77 119.74 112.36 1de3 s LYS 114 Ca 0.55 1.05 -0.26 0.00 -0.36 0.00 0.00 55.97 56.95 1de3 s LYS 114 Cb -0.03 0.60 -0.09 0.00 -1.51 0.00 0.00 37.83 36.80 1de3 s LYS 114 CO 0.40 -0.49 1.30 -2.00 -0.36 0.00 0.00 175.35 174.20 1de3 s GLU 115 N 2.86 3.93 0.19 4.03 2.12 -1.26 -4.94 118.70 125.63 1de3 s GLU 115 Ca 0.13 2.15 -0.31 0.00 0.36 0.00 0.00 54.97 57.31 1de3 s GLU 115 Cb -0.14 -2.73 -0.16 0.00 0.26 0.00 0.00 34.13 31.36 1de3 s GLU 115 CO -0.20 -0.52 0.85 -1.71 -0.54 0.00 0.00 175.26 173.14 1de3 n ASN 116 N 0.07 0.12 -3.87 -1.70 5.15 -1.26 -4.94 115.26 108.82 1de3 n ASN 116 Ca 0.04 1.15 -0.30 0.00 -0.60 0.00 0.00 54.58 54.87 1de3 n ASN 116 Cb 0.44 -1.09 0.23 0.00 -0.53 0.00 0.00 39.78 38.83 1de3 n ASN 116 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1de3 s PRO 117 N -0.88 -1.06 0.36 1.20 0.04 -1.26 -5.07 135.00 128.33 1de3 s PRO 117 Ca 0.68 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.68 1de3 s PRO 117 Cb -0.90 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 1de3 s PRO 117 CO 0.56 -3.61 0.55 0.20 0.04 0.00 0.00 177.00 174.74 1de3 s GLY 118 N -3.93 1.42 -0.07 0.56 0.00 -1.26 -5.07 107.32 98.98 1de3 s GLY 118 Ca 0.71 -1.07 -0.14 0.00 0.00 0.00 0.00 44.72 44.22 1de3 s GLY 118 CO 0.56 -0.99 0.53 -0.56 0.00 0.00 0.00 173.10 172.64 1de3 h PRO 119 N 0.73 -0.24 -6.95 2.90 0.13 -1.88 -3.45 132.00 123.23 1de3 h PRO 119 Ca -0.48 0.02 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 1de3 h PRO 119 Cb 1.24 0.06 0.09 0.00 0.13 0.00 0.00 31.00 32.51 1de3 h PRO 119 CO 0.59 0.02 0.66 0.00 -0.23 0.00 0.00 178.00 179.03 1de3 s ALA 120 N -3.34 3.32 -0.05 -0.56 0.00 -1.26 -3.72 121.76 116.16 1de3 s ALA 120 Ca -0.08 1.34 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 1de3 s ALA 120 Cb 0.00 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.63 1de3 s ALA 120 CO 0.27 -0.92 0.11 0.50 0.00 0.00 0.00 175.76 175.72 1de3 s ARG 121 N -2.22 0.06 -0.05 0.00 3.52 0.21 -3.29 118.95 117.19 1de3 s ARG 121 Ca 0.56 0.29 -0.30 0.00 -0.13 0.00 0.00 55.73 56.16 1de3 s ARG 121 Cb -0.41 -0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 32.80 1de3 s ARG 121 CO 0.53 -0.14 0.98 0.54 -0.81 0.00 0.00 175.30 176.40 1de3 s VAL 122 N 0.97 4.84 0.02 7.11 0.11 -0.07 -0.00 120.40 133.38 1de3 s VAL 122 Ca -0.08 2.03 0.06 0.00 -2.93 0.00 0.00 61.98 61.06 1de3 s VAL 122 Cb -0.10 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.41 1de3 s VAL 122 CO -0.04 0.10 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.05 1de3 s ILE 123 N 1.42 3.04 -0.30 7.04 -1.09 -0.56 -1.44 121.20 129.30 1de3 s ILE 123 Ca 0.50 -1.02 -0.25 0.00 -2.23 0.00 0.00 60.65 57.65 1de3 s ILE 123 Cb -0.20 -2.28 0.20 0.00 -1.58 0.00 0.00 42.46 38.60 1de3 s ILE 123 CO 0.23 0.39 1.48 -0.72 -1.23 0.00 0.00 174.94 175.09 1de3 s TYR 124 N -0.91 -0.02 0.00 3.97 1.13 -1.16 -2.29 117.35 118.07 1de3 s TYR 124 Ca 0.15 0.04 0.00 0.00 -1.41 0.00 0.00 57.07 55.85 1de3 s TYR 124 Cb -0.11 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.24 1de3 s TYR 124 CO 0.05 -0.01 0.00 0.25 -2.51 0.00 0.00 175.55 173.33 1de3 n THR 125 N 1.57 0.00 -3.60 -3.49 -2.24 -1.26 -2.73 114.28 102.52 1de3 n THR 125 Ca -0.10 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 1de3 n THR 125 Cb 0.57 -0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.45 -0.45 -1.66 4.78 5.04 -1.23 -2.23 117.35 121.14 1de3 s TYR 126 Ca 0.00 0.95 0.22 0.00 -2.44 0.00 0.00 57.07 55.80 1de3 s TYR 126 Cb 0.00 0.40 1.19 0.00 0.35 0.00 0.00 41.96 43.90 1de3 s TYR 126 CO 0.00 -0.31 1.70 -0.35 -1.34 0.00 0.00 175.55 175.25 1de3 n PRO 127 N 1.48 0.47 -0.25 4.97 -0.04 -1.26 -3.85 135.00 136.53 1de3 n PRO 127 Ca -0.12 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 1de3 n PRO 127 Cb 0.57 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.99 -3.15 3.54 -0.26 -1.93 -3.45 115.58 109.34 1de3 h ASN 128 Ca 0.00 0.24 -0.38 0.00 -0.56 0.00 0.00 56.30 55.59 1de3 h ASN 128 Cb 0.12 0.55 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 1de3 h ASN 128 CO 0.00 -0.28 -0.51 0.29 -1.06 0.00 0.00 177.43 175.87 1de3 n LYS 129 N -5.47 -2.41 -1.89 0.81 5.02 -0.95 -4.87 118.16 108.41 1de3 n LYS 129 Ca 0.07 0.91 -0.23 0.00 -2.02 0.00 0.00 58.31 57.05 1de3 n LYS 129 Cb 0.37 -5.52 -0.08 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.01 3.34 -0.49 -0.18 1.01 -1.26 -4.68 120.40 115.12 1de3 s VAL 130 Ca 0.08 -0.51 -0.44 0.00 0.00 0.00 0.00 61.98 61.12 1de3 s VAL 130 Cb -0.04 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 31.97 1de3 s VAL 130 CO 0.10 -0.63 1.96 0.33 0.00 0.00 0.00 175.10 176.85 1de3 n PHE 131 N 16.24 1.30 -0.03 5.22 7.35 -1.26 -4.07 117.46 142.21 1de3 n PHE 131 Ca 0.43 0.86 -0.21 0.00 -0.76 0.00 0.00 57.45 57.77 1de3 n PHE 131 Cb 0.46 -2.23 -0.13 0.00 0.35 0.00 0.00 39.48 37.93 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 1.89 -0.59 2.98 0.00 0.00 -1.22 -4.94 105.19 103.31 1de3 n GLY 133 Ca -0.34 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.27 0.63 -0.03 -0.61 1.09 -1.26 -1.50 121.20 116.24 1de3 s ILE 134 Ca 0.00 -0.29 0.07 0.00 -1.10 0.00 0.00 60.65 59.33 1de3 s ILE 134 Cb 0.00 -0.56 -0.02 0.00 -1.06 0.00 0.00 42.46 40.83 1de3 s ILE 134 CO 0.00 0.20 -0.25 0.27 -0.10 0.00 0.00 174.94 175.06 1de3 s ILE 135 N 0.12 1.98 0.11 2.92 -4.36 1.00 0.42 121.20 123.39 1de3 s ILE 135 Ca -0.01 -1.06 0.03 0.00 -0.26 0.00 0.00 60.65 59.35 1de3 s ILE 135 Cb -0.07 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 1de3 s ILE 135 CO -0.00 0.56 -0.09 0.00 0.24 0.00 0.00 174.94 175.65 1de3 s ALA 136 N -0.44 1.17 -0.11 2.27 0.00 -1.01 0.67 121.76 124.30 1de3 s ALA 136 Ca 0.05 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.42 1de3 s ALA 136 Cb -0.11 0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1de3 s ALA 136 CO 0.01 -0.12 0.83 -1.01 0.00 0.00 0.00 175.76 175.46 1de3 s HIS 137 N -3.11 3.50 -1.78 0.00 3.76 -1.24 -0.04 115.29 116.39 1de3 s HIS 137 Ca 0.11 1.33 0.02 0.00 -0.15 0.00 0.00 55.06 56.38 1de3 s HIS 137 Cb 0.01 -2.98 0.08 0.00 1.11 0.00 0.00 32.58 30.80 1de3 s HIS 137 CO -0.01 -0.12 0.98 0.25 -0.85 0.00 0.00 174.74 174.98 1de3 n THR 138 N 4.35 0.16 -3.17 1.30 -2.24 0.16 -4.13 114.28 110.71 1de3 n THR 138 Ca 0.03 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.53 1de3 n THR 138 Cb 0.50 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.74 0.89 2.81 -0.78 2.47 -1.26 -3.09 119.74 119.03 1de3 s LYS 139 Ca 0.06 -1.36 0.00 0.00 -1.56 0.00 0.00 55.97 53.10 1de3 s LYS 139 Cb 0.03 -0.72 0.00 0.00 -1.46 0.00 0.00 37.83 35.68 1de3 s LYS 139 CO 0.03 -1.31 0.00 0.39 0.16 0.00 0.00 175.35 174.62 1de3 n GLU 140 N 3.30 0.00 0.00 4.03 1.02 -0.68 -3.27 120.64 125.05 1de3 n GLU 140 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1de3 n GLU 140 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.92 1de3 n GLU 140 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1de3 n ASN 141 N 5.25 0.00 -3.66 1.62 2.85 -1.26 -4.66 115.26 115.40 1de3 n ASN 141 Ca 0.00 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 54.06 1de3 n ASN 141 Cb 0.00 0.03 0.01 0.00 1.24 0.00 0.00 39.78 41.06 1de3 n ASN 141 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1de3 n GLN 142 N -1.73 4.83 0.00 1.20 10.64 -1.23 -4.79 117.38 126.30 1de3 n GLN 142 Ca 0.00 -4.12 0.00 0.00 -1.83 0.00 0.00 57.00 51.05 1de3 n GLN 142 Cb 0.00 -2.58 0.00 0.00 -0.86 0.00 0.00 30.24 26.80 1de3 n GLN 142 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1de3 n GLY 143 N 1.05 5.41 3.73 2.61 0.00 -1.20 -5.00 105.19 111.79 1de3 n GLY 143 Ca 0.48 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1de3 n GLY 143 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1de3 s GLU 144 N 1.92 4.50 0.08 1.61 8.01 -1.26 -4.88 118.70 128.68 1de3 s GLU 144 Ca 0.00 1.08 -0.17 0.00 0.01 0.00 0.00 54.97 55.89 1de3 s GLU 144 Cb 0.00 -3.39 -0.07 0.00 -4.31 0.00 0.00 34.13 26.36 1de3 s GLU 144 CO 0.00 0.20 0.54 -0.51 0.01 0.00 0.00 175.26 175.50 1de3 s LEU 145 N 0.24 4.47 -0.07 1.80 1.43 -1.26 0.36 118.68 125.65 1de3 s LEU 145 Ca 0.40 1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1de3 s LEU 145 Cb -0.20 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.10 1de3 s LEU 145 CO 0.23 0.24 0.02 -0.75 0.23 0.00 0.00 176.35 176.31 1de3 s LYS 146 N -1.32 0.45 -0.38 1.70 2.20 0.95 -4.91 119.74 118.42 1de3 s LYS 146 Ca 0.30 0.16 -0.37 0.00 -0.36 0.00 0.00 55.97 55.70 1de3 s LYS 146 Cb -0.18 -0.89 -0.13 0.00 -1.51 0.00 0.00 37.83 35.12 1de3 s LYS 146 CO 0.18 -0.32 2.18 -0.11 -0.36 0.00 0.00 175.35 176.93 1de3 n LEU 147 N 5.18 1.82 -4.13 5.43 7.94 -1.26 -2.41 117.00 129.57 1de3 n LEU 147 Ca -0.06 0.46 -0.24 0.00 -1.11 0.00 0.00 56.01 55.06 1de3 n LEU 147 Cb 0.50 -1.18 0.18 0.00 0.53 0.00 0.00 43.42 43.45 1de3 n LEU 147 CO 0.09 -0.74 -0.07 0.00 -1.11 0.00 0.00 177.39 175.56 1de3 s SER 149 N -2.13 0.26 0.00 0.00 1.04 -0.05 -4.81 113.70 108.01 1de3 s SER 149 Ca 0.48 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1de3 s SER 149 Cb -0.09 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1de3 s SER 149 CO 0.47 -0.61 0.32 0.00 0.98 0.00 0.00 173.24 174.40