#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 0.07 -0.77 0.00 1.01 -1.26 -4.97 120.40 114.48 1de3 s VAL 2 Ca 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 1de3 s VAL 2 Cb 0.00 -1.93 0.19 0.00 0.00 0.00 0.00 36.38 34.65 1de3 s VAL 2 CO 0.00 -0.31 0.63 -0.89 0.00 0.00 0.00 175.10 174.52 1de3 s THR 3 N -4.00 4.32 -0.41 3.92 2.01 -1.26 0.20 115.64 120.43 1de3 s THR 3 Ca 0.20 -3.20 -0.28 0.00 0.31 0.00 0.00 61.69 58.71 1de3 s THR 3 Cb 0.04 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1de3 s THR 3 CO 0.01 -0.98 1.08 0.26 -0.69 0.00 0.00 174.62 174.30 1de3 s TRP 4 N -0.50 2.97 -0.07 4.92 0.52 0.08 -3.94 118.94 122.92 1de3 s TRP 4 Ca 0.21 0.88 0.02 0.00 0.02 0.00 0.00 56.10 57.23 1de3 s TRP 4 Cb -0.14 -4.06 -0.03 0.00 -1.15 0.00 0.00 33.47 28.09 1de3 s TRP 4 CO -0.07 -1.03 -0.11 0.99 0.02 0.00 0.00 176.95 176.75 1de3 s THR 5 N 4.03 3.37 0.16 2.01 2.01 0.24 0.55 115.64 128.01 1de3 s THR 5 Ca 0.45 -0.60 0.09 0.00 0.31 0.00 0.00 61.69 61.94 1de3 s THR 5 Cb -0.10 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1de3 s THR 5 CO 0.24 0.58 -0.19 0.00 -0.69 0.00 0.00 174.62 174.57 1de3 s LEU 7 N -2.61 4.76 0.28 0.00 1.43 -1.26 -0.07 118.68 121.21 1de3 s LEU 7 Ca 0.15 -3.58 -0.13 0.00 -1.03 0.00 0.00 54.13 49.55 1de3 s LEU 7 Cb -0.06 -1.67 -0.08 0.00 0.03 0.00 0.00 46.19 44.41 1de3 s LEU 7 CO 0.06 -0.14 0.65 0.20 0.23 0.00 0.00 176.35 177.36 1de3 s ASN 8 N -0.95 6.72 0.19 2.29 -0.87 -1.19 -4.65 114.94 116.48 1de3 s ASN 8 Ca 0.23 1.13 -0.15 0.00 -1.57 0.00 0.00 52.86 52.50 1de3 s ASN 8 Cb -0.11 -2.31 -0.07 0.00 -0.02 0.00 0.00 41.25 38.73 1de3 s ASN 8 CO -0.11 -0.14 0.60 -0.62 -2.57 0.00 0.00 177.10 174.26 1de3 s ASP 9 N -2.28 6.83 -0.15 -1.22 -1.08 -1.25 -1.24 116.67 116.29 1de3 s ASP 9 Ca 0.51 1.13 -0.04 0.00 -0.52 0.00 0.00 52.55 53.63 1de3 s ASP 9 Cb -0.11 -2.31 0.06 0.00 -1.46 0.00 0.00 42.92 39.10 1de3 s ASP 9 CO 0.19 0.04 0.11 -1.10 0.52 0.00 0.00 175.17 174.93 1de3 s GLN 10 N -2.16 0.05 -1.24 4.34 -0.21 0.10 -0.07 119.66 120.47 1de3 s GLN 10 Ca 0.41 0.07 -0.19 0.00 0.02 0.00 0.00 55.36 55.67 1de3 s GLN 10 Cb -0.14 -1.44 0.05 0.00 1.00 0.00 0.00 33.01 32.48 1de3 s GLN 10 CO 0.20 -0.59 1.71 0.21 -2.12 0.00 0.00 175.29 174.70 1de3 s LYS 11 N 2.18 3.78 0.12 2.91 2.20 -1.26 -0.59 119.74 129.08 1de3 s LYS 11 Ca 0.03 -1.77 -0.33 0.00 -0.36 0.00 0.00 55.97 53.54 1de3 s LYS 11 Cb -0.15 -5.48 -0.12 0.00 -1.51 0.00 0.00 37.83 30.56 1de3 s LYS 11 CO -0.08 -2.41 1.71 -1.71 -0.36 0.00 0.00 175.35 172.50 1de3 n ASN 12 N 9.05 3.53 0.16 1.43 5.15 0.49 -4.79 115.26 130.28 1de3 n ASN 12 Ca 0.46 1.04 0.03 0.00 -0.60 0.00 0.00 54.58 55.51 1de3 n ASN 12 Cb 0.47 -1.47 0.24 0.00 -0.53 0.00 0.00 39.78 38.48 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 7.17 0.00 -0.06 1.20 0.13 -1.93 0.20 132.00 138.71 1de3 h PRO 13 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1de3 h PRO 13 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1de3 h PRO 13 CO 0.92 0.49 0.03 -0.22 -0.23 0.00 0.00 178.00 178.99 1de3 h LYS 14 N 0.00 0.09 -0.02 0.86 3.64 -1.95 -2.90 116.57 116.29 1de3 h LYS 14 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1de3 h LYS 14 Cb 1.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1de3 h LYS 14 CO 0.06 0.20 -0.23 0.25 -2.27 0.00 0.00 179.45 177.46 1de3 n THR 15 N -4.97 0.00 -2.07 1.00 -2.24 -1.23 -4.94 114.28 99.83 1de3 n THR 15 Ca -0.06 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1de3 n THR 15 Cb 0.10 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.25 -2.00 -4.38 3.42 2.85 0.68 -4.90 115.26 111.18 1de3 n ASN 16 Ca 0.13 0.30 -0.20 0.00 -0.11 0.00 0.00 54.58 54.69 1de3 n ASN 16 Cb 0.46 -1.89 -0.10 0.00 1.24 0.00 0.00 39.78 39.49 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 -4.23 1.43 -0.22 1.20 2.20 -0.98 -4.90 119.74 114.24 1de3 s LYS 17 Ca 0.00 -1.67 -0.12 0.00 -0.36 0.00 0.00 55.97 53.82 1de3 s LYS 17 Cb 0.00 -1.16 -0.05 0.00 -1.51 0.00 0.00 37.83 35.12 1de3 s LYS 17 CO 0.00 0.13 0.24 0.71 -0.36 0.00 0.00 175.35 176.07 1de3 s TYR 18 N -2.97 3.35 0.15 4.03 2.02 -1.26 -0.38 117.35 122.30 1de3 s TYR 18 Ca 0.25 0.38 0.10 0.00 -0.37 0.00 0.00 57.07 57.44 1de3 s TYR 18 Cb 0.01 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.19 1de3 s TYR 18 CO 0.09 0.08 -0.23 -1.21 -1.57 0.00 0.00 175.55 172.71 1de3 s GLU 19 N 1.02 1.35 -0.91 -0.62 2.02 0.24 -4.87 118.70 116.93 1de3 s GLU 19 Ca 0.12 -1.38 -0.08 0.00 0.02 0.00 0.00 54.97 53.65 1de3 s GLU 19 Cb -0.14 -1.64 0.23 0.00 0.10 0.00 0.00 34.13 32.68 1de3 s GLU 19 CO 0.05 0.37 0.83 0.99 0.02 0.00 0.00 175.26 177.52 1de3 s THR 20 N -1.50 5.16 1.20 3.63 2.01 -1.26 0.01 115.64 124.89 1de3 s THR 20 Ca 0.15 -3.19 -0.15 0.00 0.31 0.00 0.00 61.69 58.81 1de3 s THR 20 Cb -0.08 -4.17 0.29 0.00 0.01 0.00 0.00 72.50 68.54 1de3 s THR 20 CO 0.07 -1.07 1.03 -0.54 -0.69 0.00 0.00 174.62 173.41 1de3 s LYS 21 N -0.69 -1.18 -0.48 4.92 -0.14 -0.37 -4.84 119.74 116.96 1de3 s LYS 21 Ca 0.24 0.51 0.03 0.00 -1.36 0.00 0.00 55.97 55.39 1de3 s LYS 21 Cb -0.11 -1.55 0.13 0.00 -1.68 0.00 0.00 37.83 34.62 1de3 s LYS 21 CO -0.09 -3.81 0.25 1.03 -0.76 0.00 0.00 175.35 171.97 1de3 s ARG 22 N -4.77 1.61 -0.73 1.68 0.52 -1.26 -3.15 118.95 112.85 1de3 s ARG 22 Ca 0.68 -2.30 -0.27 0.00 -0.52 0.00 0.00 55.73 53.33 1de3 s ARG 22 Cb -0.20 -2.79 0.03 0.00 0.52 0.00 0.00 34.95 32.52 1de3 s ARG 22 CO 0.61 -1.14 1.24 -0.51 0.02 0.00 0.00 175.30 175.53 1de3 s LEU 23 N 0.04 3.30 -0.12 2.53 1.02 0.90 -4.88 118.68 121.47 1de3 s LEU 23 Ca 0.17 -0.50 -0.22 0.00 0.02 0.00 0.00 54.13 53.61 1de3 s LEU 23 Cb -0.25 -2.56 -0.03 0.00 0.02 0.00 0.00 46.19 43.37 1de3 s LEU 23 CO -0.00 -1.79 0.66 -0.22 0.02 0.00 0.00 176.35 175.02 1de3 s LEU 24 N 5.54 4.25 0.29 1.79 1.98 -1.26 -0.05 118.68 131.22 1de3 s LEU 24 Ca 0.34 1.04 0.11 0.00 -2.89 0.00 0.00 54.13 52.73 1de3 s LEU 24 Cb -0.09 -2.99 -0.05 0.00 0.66 0.00 0.00 46.19 43.72 1de3 s LEU 24 CO 0.15 -0.17 -0.12 -0.31 -1.89 0.00 0.00 176.35 174.01 1de3 s TYR 25 N 1.20 2.42 -0.24 5.38 1.51 0.19 -4.73 117.35 123.09 1de3 s TYR 25 Ca 0.34 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 56.02 1de3 s TYR 25 Cb -0.17 -1.13 -0.00 0.00 -0.11 0.00 0.00 41.96 40.55 1de3 s TYR 25 CO 0.14 0.66 -0.01 1.21 -1.11 0.00 0.00 175.55 176.44 1de3 s ASN 26 N -3.58 4.51 0.58 2.29 2.47 -1.26 -0.74 114.94 119.21 1de3 s ASN 26 Ca 0.31 -0.51 0.31 0.00 0.42 0.00 0.00 52.86 53.39 1de3 s ASN 26 Cb -0.04 -1.77 1.42 0.00 -1.45 0.00 0.00 41.25 39.42 1de3 s ASN 26 CO 0.17 -0.07 1.80 -0.61 -3.72 0.00 0.00 177.10 174.67 1de3 h GLN 27 N 8.13 0.00 0.39 0.43 -0.00 -0.61 -1.18 115.11 122.27 1de3 h GLN 27 Ca -0.38 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.25 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 0.60 0.00 -0.19 -0.97 0.00 0.00 0.00 178.83 178.27 1de3 h ASN 28 N 0.00 -0.45 -0.07 -0.69 -1.24 -1.93 0.58 115.58 111.78 1de3 h ASN 28 Ca 0.36 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.40 1de3 h ASN 28 Cb 1.73 0.12 -0.00 0.00 0.73 0.00 0.00 38.32 40.89 1de3 h ASN 28 CO -0.00 -0.27 0.26 0.11 -1.29 0.00 0.00 177.43 176.23 1de3 h LYS 29 N -0.62 0.00 0.00 6.67 6.56 -1.65 0.61 116.57 128.14 1de3 h LYS 29 Ca -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1de3 h LYS 29 Cb 0.40 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1de3 h LYS 29 CO 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 179.45 177.47 1de3 h ALA 30 N 1.54 0.00 -0.36 3.86 0.00 -1.06 0.51 119.26 123.75 1de3 h ALA 30 Ca 0.03 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1de3 h ALA 30 Cb 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1de3 h ALA 30 CO -0.00 0.01 0.41 1.05 0.00 0.00 0.00 179.25 180.73 1de3 h GLU 31 N -0.21 0.00 0.10 0.00 -0.00 0.67 0.04 114.58 115.18 1de3 h GLU 31 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 59.08 1de3 h GLU 31 Cb 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.76 1de3 h GLU 31 CO 0.00 0.00 -1.43 1.03 -0.00 0.00 0.00 179.01 178.61 1de3 h SER 32 N 0.00 0.35 -0.44 3.06 0.87 0.10 -3.01 113.55 114.48 1de3 h SER 32 Ca 0.17 -0.84 0.04 0.00 -1.23 0.00 0.00 61.79 59.94 1de3 h SER 32 Cb 1.00 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 1de3 h SER 32 CO -0.00 1.62 0.20 0.78 -0.53 0.00 0.00 176.83 178.90 1de3 h ASN 33 N -0.34 0.28 -0.48 6.23 4.21 0.26 0.03 115.58 125.76 1de3 h ASN 33 Ca -0.31 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.19 1de3 h ASN 33 Cb 1.73 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 38.89 1de3 h ASN 33 CO 0.04 0.20 0.18 0.77 -1.29 0.00 0.00 177.43 177.33 1de3 h SER 34 N 0.41 0.72 0.00 5.81 4.64 -1.20 -0.03 113.55 123.90 1de3 h SER 34 Ca 0.19 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1de3 h SER 34 Cb 0.12 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1de3 h SER 34 CO -0.15 0.67 0.00 1.41 -0.87 0.00 0.00 176.83 177.89 1de3 n HIS 35 N -4.32 0.00 -0.07 4.77 8.25 -0.29 -2.57 115.22 120.99 1de3 n HIS 35 Ca 0.04 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1de3 n HIS 35 Cb 0.18 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.84 0.00 -2.35 4.41 -0.00 -0.16 -5.00 115.22 111.27 1de3 n HIS 36 Ca 0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.51 1de3 n HIS 36 Cb 0.08 -0.56 -0.02 0.00 -0.00 0.00 0.00 29.99 29.48 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 -2.29 3.13 0.47 1.57 0.00 -0.15 -5.02 121.76 119.47 1de3 s ALA 37 Ca -0.19 0.91 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 1de3 s ALA 37 Cb 0.05 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1de3 s ALA 37 CO 0.34 -0.46 1.12 -1.25 0.00 0.00 0.00 175.76 175.51 1de3 s PRO 38 N -2.34 3.74 -1.02 0.00 0.04 -1.26 -4.91 135.00 129.24 1de3 s PRO 38 Ca 0.57 1.64 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 1de3 s PRO 38 Cb -0.29 -2.30 0.12 0.00 0.04 0.00 0.00 34.50 32.08 1de3 s PRO 38 CO 0.36 -0.54 1.28 -0.51 0.04 0.00 0.00 177.00 177.63 1de3 s LEU 39 N -3.20 4.75 -0.30 -3.56 1.43 -1.26 -4.27 118.68 112.28 1de3 s LEU 39 Ca 0.65 -2.18 -0.10 0.00 -1.03 0.00 0.00 54.13 51.47 1de3 s LEU 39 Cb -0.25 -2.44 0.15 0.00 0.03 0.00 0.00 46.19 43.68 1de3 s LEU 39 CO 0.30 -1.07 0.73 -0.94 0.23 0.00 0.00 176.35 175.60 1de3 s SER 40 N 3.70 -1.03 -0.06 2.29 1.04 -1.26 -5.00 113.70 113.38 1de3 s SER 40 Ca 0.38 1.29 -0.30 0.00 0.48 0.00 0.00 55.95 57.81 1de3 s SER 40 Cb -0.03 2.12 -0.05 0.00 0.10 0.00 0.00 66.02 68.16 1de3 s SER 40 CO -0.07 -0.20 1.60 -0.62 0.98 0.00 0.00 173.24 174.94 1de3 s ASP 41 N 2.79 6.70 -0.76 7.02 2.15 -1.15 -3.84 116.67 129.58 1de3 s ASP 41 Ca -0.02 2.18 -0.04 0.00 0.43 0.00 0.00 52.55 55.10 1de3 s ASP 41 Cb -0.11 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 1de3 s ASP 41 CO -0.19 -0.90 0.63 0.61 -0.17 0.00 0.00 175.17 175.16 1de3 n GLY 42 N 4.05 -1.17 1.23 2.66 0.00 -1.09 -4.44 105.19 106.42 1de3 n GLY 42 Ca 0.17 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.82 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 -2.14 0.00 -4.25 1.61 4.81 -1.25 -5.02 118.16 111.92 1de3 n LYS 43 Ca -0.21 -1.48 -0.19 0.00 -0.87 0.00 0.00 58.31 55.56 1de3 n LYS 43 Cb 0.64 0.20 -0.07 0.00 0.02 0.00 0.00 35.03 35.82 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 0.01 3.15 2.01 -1.26 -5.01 115.64 114.54 1de3 s THR 44 Ca 0.17 -1.93 -0.04 0.00 0.31 0.00 0.00 61.69 60.21 1de3 s THR 44 Cb 0.20 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1de3 s THR 44 CO -0.09 0.00 1.06 1.23 -0.69 0.00 0.00 174.62 176.13 1de3 h GLY 45 N 2.12 -0.46 1.91 4.40 0.00 -1.46 -2.02 103.07 107.57 1de3 h GLY 45 Ca -0.25 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1de3 h GLY 45 CO 0.36 -0.17 0.00 -1.14 0.00 0.00 0.00 176.54 175.60 1de3 n SER 46 N -2.49 0.00 0.00 0.19 3.41 0.67 -3.88 113.62 111.52 1de3 n SER 46 Ca -0.02 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1de3 n SER 46 Cb 0.05 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 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 -1.46 -2.17 -4.61 4.04 2.88 -0.76 -5.04 113.62 106.51 1de3 n SER 47 Ca 0.02 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.25 1de3 n SER 47 Cb 0.07 -0.36 -0.10 0.00 -0.75 0.00 0.00 64.21 63.07 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 2.86 0.03 0.66 2.02 -1.26 -3.25 117.35 116.41 1de3 s TYR 48 Ca 0.00 -0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.33 1de3 s TYR 48 Cb 0.00 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1de3 s TYR 48 CO 0.00 0.41 1.03 -1.25 -1.57 0.00 0.00 175.55 174.17 1de3 s PRO 49 N -1.84 4.55 0.47 -1.71 0.04 -1.26 -4.50 135.00 130.75 1de3 s PRO 49 Ca 0.20 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.72 1de3 s PRO 49 Cb -0.11 -3.42 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 1de3 s PRO 49 CO 0.12 -0.06 0.74 -3.38 0.04 0.00 0.00 177.00 174.45 1de3 s HIS 50 N 0.89 3.42 0.12 0.56 -3.43 -1.21 -2.68 115.29 112.96 1de3 s HIS 50 Ca 0.53 0.57 -0.31 0.00 -0.80 0.00 0.00 55.06 55.05 1de3 s HIS 50 Cb -0.23 -2.32 -0.07 0.00 -1.43 0.00 0.00 32.58 28.53 1de3 s HIS 50 CO 0.29 -0.33 1.27 -0.46 -2.00 0.00 0.00 174.74 173.50 1de3 s TRP 51 N -2.67 3.36 -0.61 0.38 -0.00 -1.26 -1.14 118.94 117.00 1de3 s TRP 51 Ca 0.47 1.22 -0.10 0.00 -0.00 0.00 0.00 56.10 57.69 1de3 s TRP 51 Cb -0.10 -3.52 0.16 0.00 -0.00 0.00 0.00 33.47 30.01 1de3 s TRP 51 CO 0.42 -1.65 0.50 0.12 -0.00 0.00 0.00 176.95 176.34 1de3 s PHE 52 N 0.69 3.49 0.31 5.86 5.36 0.13 -4.77 117.98 129.04 1de3 s PHE 52 Ca 0.59 -1.98 0.12 0.00 -0.96 0.00 0.00 56.93 54.70 1de3 s PHE 52 Cb -0.33 -3.57 1.00 0.00 -0.34 0.00 0.00 43.02 39.78 1de3 s PHE 52 CO 0.32 -0.97 1.39 0.25 -1.46 0.00 0.00 175.22 174.75 1de3 n THR 53 N 4.44 -0.37 -3.65 0.12 -2.24 -1.26 -4.42 114.28 106.89 1de3 n THR 53 Ca -0.00 1.84 -0.28 0.00 -2.27 0.00 0.00 64.05 63.34 1de3 n THR 53 Cb 0.42 -2.88 0.01 0.00 -2.10 0.00 0.00 70.33 65.78 1de3 n THR 53 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1de3 n ASN 54 N -5.09 -4.35 0.00 3.42 4.05 -1.26 -0.27 115.26 111.76 1de3 n ASN 54 Ca 0.29 -0.61 0.00 0.00 0.45 0.00 0.00 54.58 54.71 1de3 n ASN 54 Cb 0.97 -3.53 0.00 0.00 1.23 0.00 0.00 39.78 38.45 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1de3 n GLY 55 N -1.44 2.26 3.77 8.20 0.00 -1.26 -4.37 105.19 112.35 1de3 n GLY 55 Ca 0.01 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1de3 n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de3 s TYR 56 N -0.73 3.43 0.00 1.61 2.02 0.63 -4.57 117.35 119.75 1de3 s TYR 56 Ca 0.00 1.68 0.00 0.00 -0.37 0.00 0.00 57.07 58.38 1de3 s TYR 56 Cb 0.00 -3.18 0.00 0.00 -0.40 0.00 0.00 41.96 38.38 1de3 s TYR 56 CO 0.00 -0.54 0.00 -0.25 -1.57 0.00 0.00 175.55 173.19 1de3 n ASP 57 N 0.53 -0.01 -1.44 2.29 8.00 -1.22 -4.45 116.55 120.25 1de3 n ASP 57 Ca 0.02 -0.57 -0.01 0.00 0.71 0.00 0.00 54.79 54.95 1de3 n ASP 57 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 4.96 2.49 1.76 0.44 0.00 -1.26 -4.00 105.19 109.58 1de3 n GLY 58 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.30 0.00 0.00 1.61 2.03 -1.25 -4.39 116.55 115.84 1de3 n ASP 59 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1de3 n ASP 59 Cb 0.51 0.09 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 0.85 -1.97 3.44 0.27 0.00 -1.16 -3.56 105.19 103.06 1de3 n GLY 60 Ca 0.00 0.74 -0.31 0.00 0.00 0.00 0.00 46.02 46.45 1de3 n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1de3 n LYS 61 N 0.00 -1.19 -4.01 1.61 2.85 -1.26 -4.03 118.16 112.12 1de3 n LYS 61 Ca 0.00 -0.31 -0.22 0.00 -1.05 0.00 0.00 58.31 56.73 1de3 n LYS 61 Cb 0.00 -2.00 -0.03 0.00 -0.65 0.00 0.00 35.03 32.36 1de3 n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1de3 s LEU 62 N -3.73 4.16 0.00 -5.58 1.02 -1.26 -3.39 118.68 109.91 1de3 s LEU 62 Ca 0.61 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.74 1de3 s LEU 62 Cb -0.20 -2.70 0.00 0.00 0.02 0.00 0.00 46.19 43.30 1de3 s LEU 62 CO 0.65 -0.05 0.00 -0.81 0.02 0.00 0.00 176.35 176.16 1de3 n PRO 63 N -1.26 0.15 -2.87 1.29 -0.04 -1.26 -4.95 135.00 126.06 1de3 n PRO 63 Ca -0.09 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.94 1de3 n PRO 63 Cb 0.57 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 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 -1.49 3.19 0.00 0.54 2.20 -1.26 -4.23 119.74 118.69 1de3 s LYS 64 Ca 0.00 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 54.61 1de3 s LYS 64 Cb 0.00 -4.35 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 1de3 s LYS 64 CO 0.00 -1.81 0.00 0.41 -0.36 0.00 0.00 175.35 173.59 1de3 n GLY 65 N 5.38 0.60 3.21 5.54 0.00 -1.26 -5.17 105.19 113.49 1de3 n GLY 65 Ca 0.01 -0.74 -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 -0.47 1.02 -0.38 1.61 1.81 -1.26 -5.14 118.95 116.15 1de3 s ARG 66 Ca 0.00 -1.48 0.02 0.00 -1.72 0.00 0.00 55.73 52.55 1de3 s ARG 66 Cb 0.00 -0.14 0.15 0.00 -0.45 0.00 0.00 34.95 34.51 1de3 s ARG 66 CO 0.00 -0.14 0.31 -0.08 -0.68 0.00 0.00 175.30 174.71 1de3 s THR 67 N -3.74 -0.01 0.05 0.02 -1.32 -1.26 -5.10 115.64 104.29 1de3 s THR 67 Ca 0.22 -1.69 -0.31 0.00 -1.21 0.00 0.00 61.69 58.70 1de3 s THR 67 Cb 0.06 -0.96 -0.06 0.00 -1.51 0.00 0.00 72.50 70.04 1de3 s THR 67 CO 0.02 -0.89 1.23 -2.16 -2.21 0.00 0.00 174.62 170.61 1de3 s PRO 68 N 0.92 4.41 0.02 7.08 0.04 -1.26 -4.68 135.00 141.52 1de3 s PRO 68 Ca 0.22 1.80 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 1de3 s PRO 68 Cb -0.13 -3.37 -0.08 0.00 0.04 0.00 0.00 34.50 30.96 1de3 s PRO 68 CO -0.05 -0.31 1.79 0.42 0.04 0.00 0.00 177.00 178.89 1de3 s ILE 69 N 1.23 3.19 -0.48 0.56 1.01 -1.26 -4.94 121.20 120.51 1de3 s ILE 69 Ca 0.59 0.35 -0.25 0.00 0.00 0.00 0.00 60.65 61.34 1de3 s ILE 69 Cb -0.30 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 38.98 1de3 s ILE 69 CO 0.29 -0.02 0.91 -0.75 0.00 0.00 0.00 174.94 175.36 1de3 s LYS 70 N 3.89 3.47 0.02 2.79 2.20 -1.26 -4.87 119.74 125.97 1de3 s LYS 70 Ca 0.80 0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 56.42 1de3 s LYS 70 Cb -0.39 -3.96 -0.27 0.00 -1.51 0.00 0.00 37.83 31.70 1de3 s LYS 70 CO 0.35 -1.27 0.93 0.74 -0.36 0.00 0.00 175.35 175.74 1de3 h PHE 71 N 9.13 0.41 0.00 4.03 0.04 -1.92 -3.49 116.94 125.14 1de3 h PHE 71 Ca -0.25 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.23 1de3 h PHE 71 Cb 1.08 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1de3 h PHE 71 CO 0.87 1.32 0.00 0.41 -0.60 0.00 0.00 178.31 180.31 1de3 n GLY 72 N 1.62 1.65 2.93 -1.45 0.00 -1.26 -5.03 105.19 103.65 1de3 n GLY 72 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.15 1.13 0.12 1.61 1.02 -1.26 -5.01 119.74 117.20 1de3 s LYS 73 Ca 0.00 -0.21 0.14 0.00 0.02 0.00 0.00 55.97 55.92 1de3 s LYS 73 Cb 0.00 -1.04 0.63 0.00 -0.52 0.00 0.00 37.83 36.90 1de3 s LYS 73 CO 0.00 -0.05 1.42 0.45 -0.92 0.00 0.00 175.35 176.25 1de3 n SER 74 N 4.00 0.26 -0.09 2.83 2.88 -1.26 -0.86 113.62 121.39 1de3 n SER 74 Ca -0.24 0.59 -0.14 0.00 -1.33 0.00 0.00 58.87 57.76 1de3 n SER 74 Cb 0.51 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.82 1.84 0.27 -3.46 9.92 -1.26 -1.70 116.55 120.34 1de3 n ASP 75 Ca 0.01 0.52 0.18 0.00 -0.53 0.00 0.00 54.79 54.97 1de3 n ASP 75 Cb 0.11 -0.91 0.90 0.00 -0.64 0.00 0.00 41.12 40.57 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 -2.83 0.47 -4.41 0.00 2.03 -0.04 -4.94 116.55 106.83 1de3 n ASP 77 Ca -0.01 0.05 -0.33 0.00 0.52 0.00 0.00 54.79 55.01 1de3 n ASP 77 Cb 0.14 1.14 0.12 0.00 -0.72 0.00 0.00 41.12 41.80 1de3 n ASP 77 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1de3 n ARG 78 N -2.33 -0.38 -2.38 -0.67 1.85 -0.02 -4.91 116.66 107.82 1de3 n ARG 78 Ca -0.01 -0.07 -0.43 0.00 -1.00 0.00 0.00 57.85 56.34 1de3 n ARG 78 Cb 0.53 -1.85 -0.02 0.00 -1.05 0.00 0.00 32.46 30.06 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 -3.64 3.74 0.11 2.89 0.04 -1.26 -4.99 135.00 131.90 1de3 s PRO 79 Ca 0.57 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 1de3 s PRO 79 Cb -0.21 -3.95 -0.07 0.00 0.04 0.00 0.00 34.50 30.32 1de3 s PRO 79 CO 0.67 -1.35 1.17 -1.25 0.04 0.00 0.00 177.00 176.29 1de3 s PRO 80 N 4.56 4.48 -0.90 0.56 0.04 -1.26 -4.77 135.00 137.72 1de3 s PRO 80 Ca 0.59 1.77 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 1de3 s PRO 80 Cb -0.15 -3.31 0.23 0.00 0.04 0.00 0.00 34.50 31.30 1de3 s PRO 80 CO 0.28 -0.14 0.81 0.21 0.04 0.00 0.00 177.00 178.20 1de3 s LYS 81 N 0.48 3.49 0.48 4.56 2.20 -1.23 -2.97 119.74 126.73 1de3 s LYS 81 Ca 0.55 -2.97 -0.18 0.00 -0.36 0.00 0.00 55.97 53.01 1de3 s LYS 81 Cb -0.30 -4.18 -0.09 0.00 -1.51 0.00 0.00 37.83 31.75 1de3 s LYS 81 CO 0.32 -1.25 0.96 -1.58 -0.36 0.00 0.00 175.35 173.44 1de3 s HIS 82 N -0.81 3.40 0.00 4.03 5.65 -1.26 -3.88 115.29 122.42 1de3 s HIS 82 Ca 0.25 1.49 0.00 0.00 0.25 0.00 0.00 55.06 57.05 1de3 s HIS 82 Cb -0.11 -2.79 0.00 0.00 -1.18 0.00 0.00 32.58 28.50 1de3 s HIS 82 CO -0.09 -0.26 0.00 -1.13 -0.65 0.00 0.00 174.74 172.61 1de3 n SER 83 N -1.23 0.00 0.08 9.88 3.41 -1.26 -4.55 113.62 119.95 1de3 n SER 83 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.55 1de3 n SER 83 Cb 0.54 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.41 1de3 n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1de3 h LYS 84 N 0.00 -0.22 -0.10 4.33 1.63 -1.98 -3.36 116.57 116.88 1de3 h LYS 84 Ca 0.00 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 1de3 h LYS 84 Cb 0.00 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 1de3 h LYS 84 CO 0.00 0.16 -0.18 -0.25 -3.45 0.00 0.00 179.45 175.73 1de3 n ASP 85 N -5.00 2.35 -3.79 4.20 8.00 -1.26 -4.97 116.55 116.08 1de3 n ASP 85 Ca -0.09 -3.48 -0.26 0.00 0.71 0.00 0.00 54.79 51.68 1de3 n ASP 85 Cb 0.25 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.85 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de3 n GLY 86 N -1.16 -0.48 2.70 0.44 0.00 -1.26 -2.94 105.19 102.49 1de3 n GLY 86 Ca 0.21 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.92 -2.87 -0.56 1.61 6.94 -1.26 -3.54 115.26 112.66 1de3 n ASN 87 Ca -0.24 -2.98 0.00 0.00 -0.02 0.00 0.00 54.58 51.34 1de3 n ASN 87 Cb 0.66 1.47 0.00 0.00 -2.36 0.00 0.00 39.78 39.55 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 2.47 1.46 0.05 4.83 0.00 -1.26 -4.94 105.19 107.80 1de3 n GLY 88 Ca 0.16 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1de3 n GLY 88 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1de3 h LYS 89 N 0.00 -0.01 -0.36 1.61 3.11 -2.01 -3.34 116.57 115.57 1de3 h LYS 89 Ca 0.00 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.61 1de3 h LYS 89 Cb 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 32.23 30.86 1de3 h LYS 89 CO 0.00 0.07 -1.01 -2.37 -2.81 0.00 0.00 179.45 173.32 1de3 n THR 90 N -5.06 1.06 -1.55 1.00 5.66 -1.26 -5.11 114.28 109.01 1de3 n THR 90 Ca -0.07 -2.60 -0.61 0.00 -3.05 0.00 0.00 64.05 57.72 1de3 n THR 90 Cb 0.07 1.26 -0.08 0.00 -1.55 0.00 0.00 70.33 70.02 1de3 n THR 90 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1de3 n ASP 91 N -0.65 0.33 -2.79 1.09 9.92 -1.26 -4.88 116.55 118.31 1de3 n ASP 91 Ca 0.04 1.15 -0.22 0.00 -0.53 0.00 0.00 54.79 55.24 1de3 n ASP 91 Cb 0.82 -0.90 -0.01 0.00 -0.64 0.00 0.00 41.12 40.40 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1de3 n HIS 92 N 2.18 2.56 -2.83 1.24 1.44 -1.25 -4.17 115.22 114.39 1de3 n HIS 92 Ca 0.23 -3.46 -0.23 0.00 -2.01 0.00 0.00 57.72 52.25 1de3 n HIS 92 Cb 0.04 -0.33 0.02 0.00 0.12 0.00 0.00 29.99 29.84 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 -3.23 3.14 -0.34 -1.40 1.13 -1.26 -3.82 117.35 111.57 1de3 s TYR 93 Ca 0.43 0.23 -0.17 0.00 -1.41 0.00 0.00 57.07 56.14 1de3 s TYR 93 Cb 0.37 -2.47 -0.01 0.00 -1.10 0.00 0.00 41.96 38.75 1de3 s TYR 93 CO -0.11 -0.53 0.47 -0.51 -2.51 0.00 0.00 175.55 172.35 1de3 s LEU 94 N -4.66 4.34 0.25 -3.49 1.43 -1.26 -3.43 118.68 111.87 1de3 s LEU 94 Ca 0.51 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.53 1de3 s LEU 94 Cb -0.10 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1de3 s LEU 94 CO 0.39 -0.42 0.49 -0.76 0.23 0.00 0.00 176.35 176.28 1de3 s LEU 95 N 2.27 4.13 -0.14 1.79 1.02 -0.58 0.18 118.68 127.35 1de3 s LEU 95 Ca 0.17 0.61 -0.00 0.00 0.02 0.00 0.00 54.13 54.92 1de3 s LEU 95 Cb -0.16 -3.41 0.03 0.00 0.02 0.00 0.00 46.19 42.68 1de3 s LEU 95 CO 0.12 -0.13 -0.08 -0.70 0.02 0.00 0.00 176.35 175.59 1de3 s GLU 96 N -3.42 1.60 -0.10 1.70 2.12 -0.29 -3.02 118.70 117.28 1de3 s GLU 96 Ca 0.42 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.34 1de3 s GLU 96 Cb -0.11 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 1de3 s GLU 96 CO 0.29 -0.33 -0.04 0.12 -0.54 0.00 0.00 175.26 174.76 1de3 s PHE 97 N 1.65 3.02 -1.16 5.30 5.36 -0.58 -3.51 117.98 128.06 1de3 s PHE 97 Ca 0.03 -0.04 -0.21 0.00 -0.96 0.00 0.00 56.93 55.74 1de3 s PHE 97 Cb -0.14 -1.81 -0.01 0.00 -0.34 0.00 0.00 43.02 40.72 1de3 s PHE 97 CO -0.08 0.24 1.81 -1.25 -1.46 0.00 0.00 175.22 174.48 1de3 s PRO 98 N -0.45 3.14 0.35 10.12 0.04 -1.26 -0.45 135.00 146.49 1de3 s PRO 98 Ca 0.07 -1.30 -0.27 0.00 0.04 0.00 0.00 61.00 59.54 1de3 s PRO 98 Cb -0.12 -5.33 -0.09 0.00 0.04 0.00 0.00 34.50 29.00 1de3 s PRO 98 CO 0.02 -3.09 1.14 -0.08 0.04 0.00 0.00 177.00 175.03 1de3 s THR 99 N 7.85 3.32 0.06 1.26 -1.32 -1.16 -4.81 115.64 120.83 1de3 s THR 99 Ca 0.61 1.20 0.06 0.00 -1.21 0.00 0.00 61.69 62.35 1de3 s THR 99 Cb 0.00 -3.71 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1de3 s THR 99 CO 0.06 0.19 -0.13 -0.36 -2.21 0.00 0.00 174.62 172.17 1de3 s PHE 100 N -1.32 2.69 0.06 9.09 0.40 -1.26 -4.52 117.98 123.11 1de3 s PHE 100 Ca 0.51 -0.17 -0.16 0.00 -0.60 0.00 0.00 56.93 56.51 1de3 s PHE 100 Cb -0.31 -1.48 -0.21 0.00 0.51 0.00 0.00 43.02 41.53 1de3 s PHE 100 CO 0.40 0.35 1.19 -1.00 0.70 0.00 0.00 175.22 176.85 1de3 h PRO 101 N 4.19 0.63 -1.22 0.24 0.13 -1.92 -3.16 132.00 130.88 1de3 h PRO 101 Ca -0.48 -0.62 0.35 0.00 -0.87 0.00 0.00 66.00 64.37 1de3 h PRO 101 Cb 1.16 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 1de3 h PRO 101 CO 0.50 1.23 0.86 0.22 -0.23 0.00 0.00 178.00 180.58 1de3 h ASP 102 N 0.27 0.09 0.00 1.44 3.58 -1.97 -3.45 116.42 116.38 1de3 h ASP 102 Ca -0.09 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1de3 h ASP 102 Cb 1.48 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.54 1de3 h ASP 102 CO 0.16 0.01 0.00 0.61 -2.88 0.00 0.00 179.24 177.14 1de3 n GLY 103 N -1.72 0.79 3.67 -0.78 0.00 -1.20 -5.04 105.19 100.92 1de3 n GLY 103 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.07 3.42 -0.95 1.61 -3.43 -1.26 -4.94 115.29 107.67 1de3 s HIS 104 Ca 0.00 1.52 -0.25 0.00 -0.80 0.00 0.00 55.06 55.53 1de3 s HIS 104 Cb 0.00 -3.23 -0.09 0.00 -1.43 0.00 0.00 32.58 27.83 1de3 s HIS 104 CO 0.00 -0.36 2.06 0.34 -2.00 0.00 0.00 174.74 174.78 1de3 s ASP 105 N 1.15 4.68 0.11 7.38 2.15 -1.26 -4.59 116.67 126.29 1de3 s ASP 105 Ca 0.46 -0.73 -0.28 0.00 0.43 0.00 0.00 52.55 52.42 1de3 s ASP 105 Cb -0.16 -2.57 -0.16 0.00 -0.30 0.00 0.00 42.92 39.73 1de3 s ASP 105 CO 0.11 -3.26 0.63 0.00 -0.17 0.00 0.00 175.17 172.49 1de3 n TYR 106 N 15.65 -0.06 -1.05 -5.34 9.36 -1.26 -4.69 117.16 129.78 1de3 n TYR 106 Ca 0.43 0.87 -0.40 0.00 3.32 0.00 0.00 57.90 62.12 1de3 n TYR 106 Cb 0.46 -1.75 -0.09 0.00 -0.63 0.00 0.00 39.34 37.34 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 1.03 0.83 0.06 2.98 2.85 -1.26 -4.62 118.16 120.04 1de3 n LYS 107 Ca 0.16 -1.59 0.09 0.00 -1.05 0.00 0.00 58.31 55.93 1de3 n LYS 107 Cb 0.16 -2.94 0.40 0.00 -0.65 0.00 0.00 35.03 32.00 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 9.92 0.38 0.85 5.58 1.16 -1.26 -1.04 117.46 133.05 1de3 n PHE 108 Ca 0.47 0.15 0.12 0.00 -1.87 0.00 0.00 57.45 56.32 1de3 n PHE 108 Cb 0.42 -0.74 0.18 0.00 -1.61 0.00 0.00 39.48 37.73 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 -1.85 0.58 -4.45 5.98 -0.08 -1.26 -0.24 116.55 115.23 1de3 n ASP 109 Ca 0.03 -0.21 -0.43 0.00 -1.51 0.00 0.00 54.79 52.67 1de3 n ASP 109 Cb 0.20 0.35 -0.03 0.00 2.34 0.00 0.00 41.12 43.98 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 -3.38 6.30 0.00 1.67 0.15 -0.21 -3.08 113.70 115.15 1de3 s SER 110 Ca 0.09 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.45 1de3 s SER 110 Cb 0.16 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 1de3 s SER 110 CO 0.73 -1.34 0.96 1.17 1.20 0.00 0.00 173.24 175.96 1de3 n LYS 111 N 7.41 0.00 -4.14 5.44 4.81 -1.25 -3.10 118.16 127.33 1de3 n LYS 111 Ca 0.04 0.47 -0.26 0.00 -0.87 0.00 0.00 58.31 57.69 1de3 n LYS 111 Cb 0.46 -1.46 -0.17 0.00 0.02 0.00 0.00 35.03 33.88 1de3 n LYS 111 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1de3 s LYS 112 N -2.85 1.58 1.00 1.64 2.20 -1.26 -3.67 119.74 118.39 1de3 s LYS 112 Ca 0.00 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.13 1de3 s LYS 112 Cb 0.00 -1.52 0.24 0.00 -1.51 0.00 0.00 37.83 35.04 1de3 s LYS 112 CO 0.00 -0.16 1.16 -0.35 -0.36 0.00 0.00 175.35 175.63 1de3 n PRO 113 N 4.54 -1.87 -3.45 4.03 -0.04 -1.26 -5.19 135.00 131.75 1de3 n PRO 113 Ca -0.16 -1.81 0.01 0.00 -0.04 0.00 0.00 63.50 61.49 1de3 n PRO 113 Cb 0.51 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 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 -5.56 0.57 0.51 0.54 2.20 -1.24 -4.76 119.74 112.00 1de3 s LYS 114 Ca 0.69 1.27 -0.22 0.00 -0.36 0.00 0.00 55.97 57.34 1de3 s LYS 114 Cb -0.04 0.73 -0.06 0.00 -1.51 0.00 0.00 37.83 36.96 1de3 s LYS 114 CO 0.50 -0.37 1.27 -2.00 -0.36 0.00 0.00 175.35 174.39 1de3 s GLU 115 N 2.88 3.42 0.30 4.03 2.12 -1.26 -4.97 118.70 125.21 1de3 s GLU 115 Ca 0.05 2.03 -0.28 0.00 0.36 0.00 0.00 54.97 57.12 1de3 s GLU 115 Cb -0.13 -2.32 -0.14 0.00 0.26 0.00 0.00 34.13 31.80 1de3 s GLU 115 CO -0.20 -0.90 1.11 -1.71 -0.54 0.00 0.00 175.26 173.02 1de3 n ASN 116 N -0.79 1.77 -4.78 -1.70 5.15 -1.26 -4.95 115.26 108.70 1de3 n ASN 116 Ca 0.09 1.18 -0.32 0.00 -0.60 0.00 0.00 54.58 54.94 1de3 n ASN 116 Cb 0.46 -1.34 0.06 0.00 -0.53 0.00 0.00 39.78 38.43 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 -1.53 2.65 0.66 1.20 0.04 -1.26 -5.06 135.00 131.71 1de3 s PRO 117 Ca 0.59 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 1de3 s PRO 117 Cb -0.67 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.91 1de3 s PRO 117 CO 0.60 -1.34 1.05 0.20 0.04 0.00 0.00 177.00 177.54 1de3 s GLY 118 N -3.15 1.66 -0.00 0.56 0.00 -1.26 -5.02 107.32 100.10 1de3 s GLY 118 Ca 0.63 -0.03 -0.22 0.00 0.00 0.00 0.00 44.72 45.10 1de3 s GLY 118 CO 0.49 0.27 1.17 -0.56 0.00 0.00 0.00 173.10 174.47 1de3 h PRO 119 N -0.53 0.29 -6.28 2.90 0.13 -1.89 -3.44 132.00 123.18 1de3 h PRO 119 Ca -0.44 -0.24 -0.55 0.00 -0.87 0.00 0.00 66.00 63.91 1de3 h PRO 119 Cb 1.20 0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1de3 h PRO 119 CO 0.60 0.88 0.29 0.00 -0.23 0.00 0.00 178.00 179.54 1de3 s ALA 120 N -3.61 3.23 0.03 -0.56 0.00 -1.26 -3.39 121.76 116.21 1de3 s ALA 120 Ca -0.15 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.24 1de3 s ALA 120 Cb 0.03 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 1de3 s ALA 120 CO 0.76 -0.21 -0.09 1.03 0.00 0.00 0.00 175.76 177.25 1de3 s ARG 121 N 1.00 0.62 0.04 0.00 0.52 0.20 -2.98 118.95 118.34 1de3 s ARG 121 Ca 0.47 -0.65 -0.16 0.00 -0.52 0.00 0.00 55.73 54.87 1de3 s ARG 121 Cb -0.20 -0.50 -0.06 0.00 0.52 0.00 0.00 34.95 34.71 1de3 s ARG 121 CO 0.24 0.11 0.47 0.54 0.02 0.00 0.00 175.30 176.69 1de3 s VAL 122 N -0.97 4.92 -0.02 3.52 0.11 0.41 -0.20 120.40 128.16 1de3 s VAL 122 Ca -0.04 0.96 0.08 0.00 -2.93 0.00 0.00 61.98 60.05 1de3 s VAL 122 Cb -0.08 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 30.97 1de3 s VAL 122 CO 0.01 0.55 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.44 1de3 s ILE 123 N -1.12 2.01 -0.27 7.04 -1.09 0.38 -1.52 121.20 126.62 1de3 s ILE 123 Ca 0.27 -1.10 -0.26 0.00 -2.23 0.00 0.00 60.65 57.33 1de3 s ILE 123 Cb -0.18 -1.67 0.13 0.00 -1.58 0.00 0.00 42.46 39.17 1de3 s ILE 123 CO 0.16 0.55 1.10 -0.72 -1.23 0.00 0.00 174.94 174.80 1de3 s TYR 124 N -0.61 -0.40 0.00 3.97 1.13 -1.17 -0.44 117.35 119.84 1de3 s TYR 124 Ca 0.10 0.94 0.00 0.00 -1.41 0.00 0.00 57.07 56.70 1de3 s TYR 124 Cb -0.10 0.39 0.00 0.00 -1.10 0.00 0.00 41.96 41.15 1de3 s TYR 124 CO -0.01 -0.21 0.00 0.25 -2.51 0.00 0.00 175.55 173.08 1de3 n THR 125 N 1.96 0.00 -3.62 -3.49 -2.24 -1.22 -1.52 114.28 104.14 1de3 n THR 125 Ca -0.12 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1de3 n THR 125 Cb 0.56 -1.16 -0.06 0.00 -2.10 0.00 0.00 70.33 67.57 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 -0.23 -0.35 -1.52 4.78 5.04 -1.22 -2.43 117.35 121.43 1de3 s TYR 126 Ca 0.00 0.79 0.22 0.00 -2.44 0.00 0.00 57.07 55.64 1de3 s TYR 126 Cb 0.00 0.41 1.15 0.00 0.35 0.00 0.00 41.96 43.87 1de3 s TYR 126 CO 0.00 -0.21 1.72 -0.35 -1.34 0.00 0.00 175.55 175.37 1de3 n PRO 127 N 1.65 0.38 -0.28 4.97 -0.04 -1.26 -4.15 135.00 136.26 1de3 n PRO 127 Ca -0.11 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1de3 n PRO 127 Cb 0.57 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.74 1de3 n PRO 127 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1de3 h ASN 128 N 0.00 -0.24 -3.95 3.54 -0.00 -1.95 -3.45 115.58 109.54 1de3 h ASN 128 Ca 0.00 0.20 -0.39 0.00 -0.00 0.00 0.00 56.30 56.11 1de3 h ASN 128 Cb 0.18 0.33 0.01 0.00 -0.00 0.00 0.00 38.32 38.84 1de3 h ASN 128 CO 0.00 -0.19 -0.55 0.29 -0.00 0.00 0.00 177.43 176.99 1de3 n LYS 129 N -5.32 -3.31 -1.84 6.67 5.02 -1.02 -4.86 118.16 113.51 1de3 n LYS 129 Ca 0.17 0.88 -0.27 0.00 -2.02 0.00 0.00 58.31 57.07 1de3 n LYS 129 Cb 0.57 -5.63 -0.05 0.00 -0.02 0.00 0.00 35.03 29.90 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 -3.05 3.24 -0.48 -0.18 1.01 -1.26 -4.63 120.40 115.05 1de3 s VAL 130 Ca 0.17 -0.09 -0.44 0.00 0.00 0.00 0.00 61.98 61.62 1de3 s VAL 130 Cb -0.08 -3.57 -0.18 0.00 0.00 0.00 0.00 36.38 32.55 1de3 s VAL 130 CO 0.21 -0.54 2.03 0.33 0.00 0.00 0.00 175.10 177.13 1de3 n PHE 131 N 15.33 1.34 -0.05 5.22 7.35 -1.26 -3.43 117.46 141.96 1de3 n PHE 131 Ca 0.37 0.78 -0.02 0.00 -0.76 0.00 0.00 57.45 57.83 1de3 n PHE 131 Cb 0.48 -2.31 -0.01 0.00 0.35 0.00 0.00 39.48 38.00 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 1.72 -0.88 3.04 0.00 0.00 -1.15 -4.99 105.19 102.92 1de3 n GLY 133 Ca -0.03 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.00 1.60 0.04 -0.61 1.09 -1.26 -0.47 121.20 118.58 1de3 s ILE 134 Ca 0.00 -0.66 0.06 0.00 -1.10 0.00 0.00 60.65 58.95 1de3 s ILE 134 Cb 0.00 -1.49 -0.03 0.00 -1.06 0.00 0.00 42.46 39.88 1de3 s ILE 134 CO 0.00 0.46 -0.16 0.27 -0.10 0.00 0.00 174.94 175.41 1de3 s ILE 135 N 1.36 2.95 0.07 2.92 -4.36 0.72 0.04 121.20 124.90 1de3 s ILE 135 Ca 0.02 -1.12 -0.03 0.00 -0.26 0.00 0.00 60.65 59.26 1de3 s ILE 135 Cb -0.13 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.29 1de3 s ILE 135 CO -0.09 0.34 0.04 0.00 0.24 0.00 0.00 174.94 175.47 1de3 s ALA 136 N -0.94 0.34 -0.07 2.27 0.00 -0.80 0.59 121.76 123.15 1de3 s ALA 136 Ca 0.15 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.78 1de3 s ALA 136 Cb -0.11 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1de3 s ALA 136 CO 0.06 -0.42 0.81 -1.01 0.00 0.00 0.00 175.76 175.19 1de3 s HIS 137 N -3.92 3.57 -0.18 0.00 3.76 -1.22 -0.20 115.29 117.11 1de3 s HIS 137 Ca 0.08 1.38 -0.01 0.00 -0.15 0.00 0.00 55.06 56.36 1de3 s HIS 137 Cb 0.07 -2.94 0.12 0.00 1.11 0.00 0.00 32.58 30.95 1de3 s HIS 137 CO -0.09 -0.01 2.01 0.25 -0.85 0.00 0.00 174.74 176.05 1de3 n THR 138 N 4.01 2.44 -2.67 1.30 -2.24 -1.26 -4.13 114.28 111.73 1de3 n THR 138 Ca 0.02 -1.16 -0.03 0.00 -2.27 0.00 0.00 64.05 60.61 1de3 n THR 138 Cb 0.51 -1.41 0.04 0.00 -2.10 0.00 0.00 70.33 67.37 1de3 n THR 138 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1de3 n LYS 139 N 0.84 0.12 0.00 -0.78 4.81 -1.23 -3.84 118.16 118.07 1de3 n LYS 139 Ca 0.17 -0.81 0.00 0.00 -0.87 0.00 0.00 58.31 56.80 1de3 n LYS 139 Cb 0.54 0.05 0.00 0.00 0.02 0.00 0.00 35.03 35.65 1de3 n LYS 139 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1de3 n GLU 140 N 2.48 0.00 -0.68 1.64 -0.58 0.90 -1.45 120.64 122.95 1de3 n GLU 140 Ca 0.11 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.84 1de3 n GLU 140 Cb 0.65 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.51 1de3 n GLU 140 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1de3 n ASN 141 N 3.21 -0.06 -3.89 1.62 4.13 -1.26 -4.65 115.26 114.36 1de3 n ASN 141 Ca 0.00 -1.55 -0.11 0.00 1.68 0.00 0.00 54.58 54.60 1de3 n ASN 141 Cb 0.00 -0.04 -0.11 0.00 -1.54 0.00 0.00 39.78 38.09 1de3 n ASN 141 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1de3 s GLN 142 N 0.00 0.31 0.00 3.52 -2.07 -0.53 -4.91 119.66 115.98 1de3 s GLN 142 Ca 0.03 -0.26 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 1de3 s GLN 142 Cb 0.04 0.13 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1de3 s GLN 142 CO -0.02 -0.06 0.00 0.41 -1.32 0.00 0.00 175.29 174.30 1de3 n GLY 143 N 2.05 2.44 3.66 2.60 0.00 -1.26 -3.58 105.19 111.11 1de3 n GLY 143 Ca -0.19 -1.93 -0.62 0.00 0.00 0.00 0.00 46.02 43.28 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 1.26 0.37 -2.30 1.61 4.71 -1.26 -4.57 120.64 120.46 1de3 n GLU 144 Ca 0.00 0.14 -0.43 0.00 -0.01 0.00 0.00 57.16 56.86 1de3 n GLU 144 Cb 0.00 -1.69 -0.02 0.00 -1.01 0.00 0.00 31.44 28.72 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 2.12 3.82 -0.00 -4.62 1.02 -1.26 -4.00 118.68 115.76 1de3 s LEU 145 Ca 0.98 1.26 -0.24 0.00 0.02 0.00 0.00 54.13 56.15 1de3 s LEU 145 Cb -1.29 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 41.33 1de3 s LEU 145 CO 0.69 -1.22 0.71 -0.75 0.02 0.00 0.00 176.35 175.80 1de3 s LYS 146 N 4.51 4.44 -0.35 1.70 2.20 0.72 -4.72 119.74 128.25 1de3 s LYS 146 Ca 0.62 0.94 -0.27 0.00 -0.36 0.00 0.00 55.97 56.90 1de3 s LYS 146 Cb -0.19 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.69 1de3 s LYS 146 CO 0.27 0.23 2.27 -1.17 -0.36 0.00 0.00 175.35 176.59 1de3 s LEU 147 N 0.19 3.42 1.13 5.43 2.96 -1.26 -1.90 118.68 128.65 1de3 s LEU 147 Ca 0.37 1.49 -0.19 0.00 -0.22 0.00 0.00 54.13 55.58 1de3 s LEU 147 Cb -0.19 -3.08 0.12 0.00 0.50 0.00 0.00 46.19 43.54 1de3 s LEU 147 CO 0.20 -2.34 0.04 0.00 -1.32 0.00 0.00 176.35 172.93 1de3 s SER 149 N -1.86 0.26 0.00 0.00 1.04 -0.13 -4.82 113.70 108.19 1de3 s SER 149 Ca 0.56 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1de3 s SER 149 Cb -0.12 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.19 1de3 s SER 149 CO 0.65 -0.47 0.50 0.00 0.98 0.00 0.00 173.24 174.90