#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1de3 n VAL 2 N 0.00-11.53 -2.66 0.00 0.31 -1.26 -0.89 118.33 102.30 1de3 n VAL 2 Ca 0.00 1.96 -0.42 0.00 -0.01 0.00 0.00 64.34 65.87 1de3 n VAL 2 Cb 0.00 -6.57 -0.03 0.00 -0.91 0.00 0.00 33.84 26.33 1de3 n VAL 2 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1de3 s THR 3 N -1.37 4.16 -0.68 2.52 2.01 -1.26 -1.00 115.64 120.02 1de3 s THR 3 Ca -0.06 -1.08 -0.27 0.00 0.31 0.00 0.00 61.69 60.58 1de3 s THR 3 Cb 0.00 -5.00 0.03 0.00 0.01 0.00 0.00 72.50 67.55 1de3 s THR 3 CO 0.73 -1.83 1.26 0.26 -0.69 0.00 0.00 174.62 174.35 1de3 s TRP 4 N 4.28 2.37 -0.19 4.92 0.52 -0.14 -3.81 118.94 126.90 1de3 s TRP 4 Ca 0.43 0.12 -0.04 0.00 0.02 0.00 0.00 56.10 56.62 1de3 s TRP 4 Cb -0.01 -4.58 -0.02 0.00 -1.15 0.00 0.00 33.47 27.70 1de3 s TRP 4 CO -0.08 -1.93 -0.02 0.99 0.02 0.00 0.00 176.95 175.93 1de3 s THR 5 N 5.54 3.88 0.21 2.01 2.01 -0.62 -0.26 115.64 128.42 1de3 s THR 5 Ca 0.38 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.12 1de3 s THR 5 Cb -0.08 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1de3 s THR 5 CO 0.19 0.45 -0.00 0.00 -0.69 0.00 0.00 174.62 174.56 1de3 s LEU 7 N -3.26 4.39 -0.08 0.00 1.43 -1.26 -0.30 118.68 119.60 1de3 s LEU 7 Ca 0.29 -3.22 -0.06 0.00 -1.03 0.00 0.00 54.13 50.11 1de3 s LEU 7 Cb -0.08 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1de3 s LEU 7 CO 0.19 -0.19 0.16 0.20 0.23 0.00 0.00 176.35 176.94 1de3 s ASN 8 N -0.57 6.40 0.27 2.29 0.02 -1.01 -4.71 114.94 117.63 1de3 s ASN 8 Ca 0.19 0.45 -0.29 0.00 -1.02 0.00 0.00 52.86 52.19 1de3 s ASN 8 Cb -0.21 -2.06 -0.09 0.00 0.02 0.00 0.00 41.25 38.91 1de3 s ASN 8 CO -0.04 0.36 0.97 -0.62 0.02 0.00 0.00 177.10 177.80 1de3 s ASP 9 N -1.29 7.49 -0.14 -1.22 2.15 -1.26 -1.11 116.67 121.29 1de3 s ASP 9 Ca 0.19 1.99 -0.03 0.00 0.43 0.00 0.00 52.55 55.13 1de3 s ASP 9 Cb -0.12 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.94 1de3 s ASP 9 CO 0.08 0.04 0.04 -1.10 -0.17 0.00 0.00 175.17 174.06 1de3 s GLN 10 N -1.45 0.43 -1.07 4.34 -0.21 0.13 -0.62 119.66 121.21 1de3 s GLN 10 Ca 0.44 -0.12 -0.22 0.00 0.02 0.00 0.00 55.36 55.48 1de3 s GLN 10 Cb -0.25 -1.58 0.05 0.00 1.00 0.00 0.00 33.01 32.22 1de3 s GLN 10 CO 0.32 -0.53 1.53 0.21 -2.12 0.00 0.00 175.29 174.70 1de3 s LYS 11 N 1.99 3.61 0.08 2.91 2.20 -1.26 -0.63 119.74 128.64 1de3 s LYS 11 Ca 0.02 -1.25 -0.31 0.00 -0.36 0.00 0.00 55.97 54.08 1de3 s LYS 11 Cb -0.15 -5.38 -0.08 0.00 -1.51 0.00 0.00 37.83 30.71 1de3 s LYS 11 CO -0.07 -2.29 1.60 1.21 -0.36 0.00 0.00 175.35 175.44 1de3 s ASN 12 N 4.99 6.64 0.36 1.43 2.47 0.25 -4.85 114.94 126.23 1de3 s ASN 12 Ca 0.49 2.46 0.16 0.00 0.42 0.00 0.00 52.86 56.39 1de3 s ASN 12 Cb 0.00 -2.57 0.66 0.00 -1.45 0.00 0.00 41.25 37.90 1de3 s ASN 12 CO -0.06 -0.85 1.75 1.55 -3.72 0.00 0.00 177.10 175.77 1de3 h PRO 13 N 7.93 0.00 -0.35 0.43 0.13 -1.94 0.13 132.00 138.33 1de3 h PRO 13 Ca -0.42 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.73 1de3 h PRO 13 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1de3 h PRO 13 CO 0.92 0.42 0.18 -0.22 -0.23 0.00 0.00 178.00 179.07 1de3 h LYS 14 N 0.00 0.37 -0.02 0.86 1.63 -1.96 -2.82 116.57 114.63 1de3 h LYS 14 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1de3 h LYS 14 Cb 0.86 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1de3 h LYS 14 CO 0.05 0.24 -0.15 0.25 -3.45 0.00 0.00 179.45 176.39 1de3 n THR 15 N -4.93 0.00 -2.55 1.00 -2.24 -1.20 -4.97 114.28 99.40 1de3 n THR 15 Ca 0.00 -0.42 -0.06 0.00 -2.27 0.00 0.00 64.05 61.30 1de3 n THR 15 Cb 0.07 1.32 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 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 0.60 -2.07 -4.39 3.42 2.85 0.43 -4.91 115.26 111.20 1de3 n ASN 16 Ca 0.10 0.34 -0.21 0.00 -0.11 0.00 0.00 54.58 54.70 1de3 n ASN 16 Cb 0.44 -1.85 -0.10 0.00 1.24 0.00 0.00 39.78 39.51 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1de3 s LYS 17 N -5.09 1.45 -0.23 1.20 1.02 -1.04 -4.90 119.74 112.15 1de3 s LYS 17 Ca 0.03 -1.64 -0.12 0.00 0.02 0.00 0.00 55.97 54.26 1de3 s LYS 17 Cb -0.02 -1.35 -0.05 0.00 -0.52 0.00 0.00 37.83 35.89 1de3 s LYS 17 CO 0.04 0.24 0.22 0.71 -0.92 0.00 0.00 175.35 175.64 1de3 s TYR 18 N -2.77 3.33 0.12 3.18 2.02 -1.26 -0.58 117.35 121.39 1de3 s TYR 18 Ca 0.25 0.33 0.10 0.00 -0.37 0.00 0.00 57.07 57.38 1de3 s TYR 18 Cb -0.02 -2.34 -0.04 0.00 -0.40 0.00 0.00 41.96 39.16 1de3 s TYR 18 CO 0.10 0.04 -0.26 -1.21 -1.57 0.00 0.00 175.55 172.65 1de3 s GLU 19 N 1.14 1.36 -1.03 -0.62 2.02 0.20 -4.88 118.70 116.90 1de3 s GLU 19 Ca 0.11 -1.30 -0.12 0.00 0.02 0.00 0.00 54.97 53.67 1de3 s GLU 19 Cb -0.14 -1.80 0.24 0.00 0.10 0.00 0.00 34.13 32.53 1de3 s GLU 19 CO 0.05 0.43 1.05 0.99 0.02 0.00 0.00 175.26 177.80 1de3 s THR 20 N -1.07 5.68 0.88 3.63 2.01 -1.26 0.20 115.64 125.71 1de3 s THR 20 Ca 0.12 -2.92 -0.10 0.00 0.31 0.00 0.00 61.69 59.10 1de3 s THR 20 Cb -0.10 -4.62 0.12 0.00 0.01 0.00 0.00 72.50 67.92 1de3 s THR 20 CO 0.06 -1.22 1.12 -0.54 -0.69 0.00 0.00 174.62 173.35 1de3 s LYS 21 N -0.21 1.35 -0.48 4.92 -0.14 -0.26 -4.82 119.74 120.11 1de3 s LYS 21 Ca 0.29 1.34 0.01 0.00 -1.36 0.00 0.00 55.97 56.24 1de3 s LYS 21 Cb -0.09 -1.78 0.13 0.00 -1.68 0.00 0.00 37.83 34.41 1de3 s LYS 21 CO -0.07 -2.33 0.24 1.03 -0.76 0.00 0.00 175.35 173.46 1de3 s ARG 22 N -4.75 2.01 -0.92 1.68 0.52 -1.26 -2.41 118.95 113.83 1de3 s ARG 22 Ca 0.65 -2.22 -0.22 0.00 -0.52 0.00 0.00 55.73 53.42 1de3 s ARG 22 Cb -0.21 -3.46 0.08 0.00 0.52 0.00 0.00 34.95 31.88 1de3 s ARG 22 CO 0.58 -1.08 1.26 -0.51 0.02 0.00 0.00 175.30 175.57 1de3 s LEU 23 N 0.41 4.15 -0.11 2.53 1.02 0.59 -4.90 118.68 122.38 1de3 s LEU 23 Ca 0.13 -1.53 -0.26 0.00 0.02 0.00 0.00 54.13 52.50 1de3 s LEU 23 Cb -0.22 -2.49 -0.02 0.00 0.02 0.00 0.00 46.19 43.48 1de3 s LEU 23 CO -0.04 -1.37 0.85 -0.22 0.02 0.00 0.00 176.35 175.59 1de3 s LEU 24 N 4.08 4.25 0.31 1.79 1.98 -1.26 -0.43 118.68 129.39 1de3 s LEU 24 Ca 0.37 1.30 0.09 0.00 -2.89 0.00 0.00 54.13 53.00 1de3 s LEU 24 Cb -0.04 -3.29 -0.06 0.00 0.66 0.00 0.00 46.19 43.45 1de3 s LEU 24 CO -0.05 -0.32 -0.11 -0.31 -1.89 0.00 0.00 176.35 173.67 1de3 s TYR 25 N 1.65 2.22 -0.14 5.38 2.02 0.64 -4.61 117.35 124.51 1de3 s TYR 25 Ca 0.41 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.62 1de3 s TYR 25 Cb -0.18 -1.19 0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1de3 s TYR 25 CO 0.17 0.52 -0.22 1.21 -1.57 0.00 0.00 175.55 175.65 1de3 s ASN 26 N -3.53 3.13 0.17 2.29 3.84 -1.26 -0.97 114.94 118.61 1de3 s ASN 26 Ca 0.31 -0.59 -0.14 0.00 0.21 0.00 0.00 52.86 52.64 1de3 s ASN 26 Cb 0.01 -1.45 0.05 0.00 -0.55 0.00 0.00 41.25 39.32 1de3 s ASN 26 CO 0.14 0.09 1.82 -0.61 -2.79 0.00 0.00 177.10 175.75 1de3 h GLN 27 N 7.25 0.67 -1.26 0.43 -0.00 0.76 0.80 115.11 123.76 1de3 h GLN 27 Ca -0.31 -0.05 0.37 0.00 -0.00 0.00 0.00 58.65 58.66 1de3 h GLN 27 Cb 1.20 -0.15 -0.09 0.00 0.00 0.00 0.00 27.48 28.43 1de3 h GLN 27 CO 0.54 0.46 0.84 -0.97 0.00 0.00 0.00 178.83 179.71 1de3 h ASN 28 N 0.68 0.23 0.13 -0.69 -1.24 -1.73 0.69 115.58 113.64 1de3 h ASN 28 Ca 0.18 0.08 -0.24 0.00 0.71 0.00 0.00 56.30 57.03 1de3 h ASN 28 Cb -0.05 0.05 0.01 0.00 0.73 0.00 0.00 38.32 39.05 1de3 h ASN 28 CO -0.04 -0.03 -1.15 0.11 -1.29 0.00 0.00 177.43 175.03 1de3 h LYS 29 N 0.16 0.27 -0.45 6.67 1.57 -1.63 -2.63 116.57 120.53 1de3 h LYS 29 Ca 0.70 -0.46 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1de3 h LYS 29 Cb 2.26 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 34.70 1de3 h LYS 29 CO -0.25 1.22 0.22 0.00 -0.57 0.00 0.00 179.45 180.08 1de3 h ALA 30 N 0.00 0.56 -0.85 3.86 0.00 0.77 0.42 119.26 124.03 1de3 h ALA 30 Ca -0.23 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1de3 h ALA 30 Cb 1.71 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 1de3 h ALA 30 CO 0.10 -0.13 0.40 1.05 0.00 0.00 0.00 179.25 180.67 1de3 h GLU 31 N 0.45 1.22 -0.18 0.00 -0.00 0.17 -0.71 114.58 115.53 1de3 h GLU 31 Ca 0.19 -0.18 -0.19 0.00 -0.00 0.00 0.00 59.36 59.18 1de3 h GLU 31 Cb 0.10 -0.22 0.01 0.00 -0.00 0.00 0.00 28.75 28.64 1de3 h GLU 31 CO -0.14 0.94 -0.63 1.03 -0.00 0.00 0.00 179.01 180.21 1de3 h SER 32 N 1.21 0.86 0.30 3.06 0.87 -0.94 0.18 113.55 119.09 1de3 h SER 32 Ca 0.29 -0.60 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1de3 h SER 32 Cb 0.12 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1de3 h SER 32 CO -0.04 1.32 -0.28 0.78 -0.53 0.00 0.00 176.83 178.09 1de3 h ASN 33 N 0.46 -0.74 -0.55 6.23 4.21 0.07 -0.06 115.58 125.21 1de3 h ASN 33 Ca -0.03 0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.51 1de3 h ASN 33 Cb 1.26 0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 38.68 1de3 h ASN 33 CO 0.13 -0.40 0.22 0.77 -1.29 0.00 0.00 177.43 176.86 1de3 h SER 34 N -0.60 0.79 0.44 5.81 4.64 -1.09 -0.54 113.55 123.01 1de3 h SER 34 Ca -0.01 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1de3 h SER 34 Cb 0.54 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1de3 h SER 34 CO -0.05 0.72 0.00 1.41 -0.87 0.00 0.00 176.83 178.05 1de3 n HIS 35 N -4.31 0.00 -0.10 4.77 8.25 0.62 -2.29 115.22 122.16 1de3 n HIS 35 Ca 0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.29 1de3 n HIS 35 Cb 0.18 -0.50 -0.12 0.00 1.12 0.00 0.00 29.99 30.67 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 -1.50 0.37 -1.87 4.41 -0.00 -0.09 -4.96 115.22 111.58 1de3 n HIS 36 Ca 0.03 0.10 -0.41 0.00 -0.00 0.00 0.00 57.72 57.44 1de3 n HIS 36 Cb 0.15 -1.04 -0.02 0.00 -0.00 0.00 0.00 29.99 29.08 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 -2.51 3.71 0.83 -1.41 0.00 -0.31 -5.01 121.76 117.05 1de3 s ALA 37 Ca -0.33 1.47 -0.11 0.00 0.00 0.00 0.00 51.96 53.00 1de3 s ALA 37 Cb 0.10 -3.61 0.09 0.00 0.00 0.00 0.00 23.12 19.69 1de3 s ALA 37 CO 0.61 -0.89 1.09 -1.25 0.00 0.00 0.00 175.76 175.32 1de3 s PRO 38 N -0.38 1.83 -0.96 0.00 0.04 -1.26 -4.91 135.00 129.36 1de3 s PRO 38 Ca 0.62 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 62.50 1de3 s PRO 38 Cb -0.45 -1.86 0.21 0.00 0.04 0.00 0.00 34.50 32.43 1de3 s PRO 38 CO 0.45 -1.89 1.01 -0.51 0.04 0.00 0.00 177.00 176.11 1de3 s LEU 39 N -6.03 6.06 -0.30 -3.56 1.43 -1.26 -4.49 118.68 110.53 1de3 s LEU 39 Ca 0.62 -2.78 -0.14 0.00 -1.03 0.00 0.00 54.13 50.80 1de3 s LEU 39 Cb -0.17 -2.28 0.15 0.00 0.03 0.00 0.00 46.19 43.92 1de3 s LEU 39 CO 0.56 -0.64 0.87 -0.94 0.23 0.00 0.00 176.35 176.43 1de3 s SER 40 N 2.40 -0.76 -0.04 2.29 1.04 -1.26 -4.97 113.70 112.39 1de3 s SER 40 Ca 0.27 1.08 -0.30 0.00 0.48 0.00 0.00 55.95 57.48 1de3 s SER 40 Cb -0.08 1.77 -0.04 0.00 0.10 0.00 0.00 66.02 67.77 1de3 s SER 40 CO -0.08 -0.15 1.32 -0.62 0.98 0.00 0.00 173.24 174.69 1de3 s ASP 41 N 2.38 6.93 -1.19 7.02 2.15 -0.75 -3.86 116.67 129.34 1de3 s ASP 41 Ca -0.05 1.96 -0.29 0.00 0.43 0.00 0.00 52.55 54.60 1de3 s ASP 41 Cb -0.07 -2.56 0.02 0.00 -0.30 0.00 0.00 42.92 40.02 1de3 s ASP 41 CO -0.18 -0.68 0.72 0.61 -0.17 0.00 0.00 175.17 175.47 1de3 n GLY 42 N 3.56 -0.88 0.71 2.66 0.00 -1.14 -4.37 105.19 105.72 1de3 n GLY 42 Ca 0.13 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.54 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 -4.73 0.14 -4.43 1.61 4.81 -1.17 -5.00 118.16 109.39 1de3 n LYS 43 Ca -0.11 -1.42 -0.22 0.00 -0.87 0.00 0.00 58.31 55.69 1de3 n LYS 43 Cb 0.58 -0.48 -0.09 0.00 0.02 0.00 0.00 35.03 35.05 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 -0.30 0.55 0.03 3.15 2.01 -1.25 -5.02 115.64 114.81 1de3 s THR 44 Ca 0.12 -2.00 -0.10 0.00 0.31 0.00 0.00 61.69 60.01 1de3 s THR 44 Cb 0.12 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1de3 s THR 44 CO -0.04 0.00 1.16 1.23 -0.69 0.00 0.00 174.62 176.28 1de3 h GLY 45 N 2.01 -0.95 0.67 4.40 0.00 -1.53 -1.57 103.07 106.11 1de3 h GLY 45 Ca -0.35 0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1de3 h GLY 45 CO 0.56 -0.33 0.00 -1.14 0.00 0.00 0.00 176.54 175.63 1de3 n SER 46 N -3.23 0.00 0.00 0.19 3.41 0.92 -3.98 113.62 110.92 1de3 n SER 46 Ca -0.03 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 1de3 n SER 46 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.83 0.00 -4.74 4.04 2.88 -0.59 -5.00 113.62 109.37 1de3 n SER 47 Ca 0.11 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.23 1de3 n SER 47 Cb 0.05 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.50 1de3 n SER 47 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1de3 n TYR 48 N 0.00 2.71 -2.73 0.66 4.01 -1.26 -2.90 117.16 117.65 1de3 n TYR 48 Ca 0.00 0.47 -0.42 0.00 -0.16 0.00 0.00 57.90 57.78 1de3 n TYR 48 Cb 0.00 -2.50 -0.03 0.00 -0.31 0.00 0.00 39.34 36.51 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 -1.83 4.41 0.51 -0.72 0.04 -1.26 -4.53 135.00 131.61 1de3 s PRO 49 Ca 0.55 1.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1de3 s PRO 49 Cb -0.52 -3.54 0.01 0.00 0.04 0.00 0.00 34.50 30.49 1de3 s PRO 49 CO 0.62 -0.30 0.75 -3.38 0.04 0.00 0.00 177.00 174.73 1de3 s HIS 50 N 1.96 3.16 0.24 0.56 -3.43 -1.19 -2.91 115.29 113.69 1de3 s HIS 50 Ca 0.47 0.30 -0.30 0.00 -0.80 0.00 0.00 55.06 54.73 1de3 s HIS 50 Cb -0.18 -2.51 -0.09 0.00 -1.43 0.00 0.00 32.58 28.37 1de3 s HIS 50 CO 0.17 -0.58 1.20 -0.46 -2.00 0.00 0.00 174.74 173.08 1de3 s TRP 51 N -2.71 3.38 -0.75 0.38 -0.00 -1.26 -1.59 118.94 116.39 1de3 s TRP 51 Ca 0.51 1.48 -0.14 0.00 -0.00 0.00 0.00 56.10 57.96 1de3 s TRP 51 Cb -0.10 -3.46 0.19 0.00 -0.00 0.00 0.00 33.47 30.11 1de3 s TRP 51 CO 0.40 -1.22 0.68 0.12 -0.00 0.00 0.00 176.95 176.92 1de3 s PHE 52 N -0.57 3.63 0.23 5.86 5.36 0.15 -4.80 117.98 127.83 1de3 s PHE 52 Ca 0.50 -1.90 -0.06 0.00 -0.96 0.00 0.00 56.93 54.51 1de3 s PHE 52 Cb -0.34 -3.76 0.38 0.00 -0.34 0.00 0.00 43.02 38.95 1de3 s PHE 52 CO 0.41 -0.99 1.25 0.25 -1.46 0.00 0.00 175.22 174.69 1de3 n THR 53 N 4.22 -0.34 -1.91 0.12 -2.24 -1.26 -4.52 114.28 108.35 1de3 n THR 53 Ca 0.07 1.83 -0.10 0.00 -2.27 0.00 0.00 64.05 63.59 1de3 n THR 53 Cb 0.45 -2.54 -0.02 0.00 -2.10 0.00 0.00 70.33 66.11 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 -5.30 -3.00 0.00 3.42 5.15 -1.26 -0.52 115.26 113.75 1de3 n ASN 54 Ca 0.13 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.36 1de3 n ASN 54 Cb 0.41 -2.73 0.00 0.00 -0.53 0.00 0.00 39.78 36.93 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 -0.48 3.11 3.77 8.20 0.00 -1.26 -3.89 105.19 114.64 1de3 n GLY 55 Ca -0.11 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.31 2.84 -0.99 1.61 1.51 0.32 -3.67 117.35 118.66 1de3 s TYR 56 Ca 0.00 1.43 0.28 0.00 -1.01 0.00 0.00 57.07 57.77 1de3 s TYR 56 Cb 0.00 -3.63 1.01 0.00 -0.11 0.00 0.00 41.96 39.24 1de3 s TYR 56 CO 0.00 -1.99 1.77 -0.25 -1.11 0.00 0.00 175.55 173.97 1de3 n ASP 57 N 0.07 0.16 0.00 2.29 9.92 0.27 -4.47 116.55 124.78 1de3 n ASP 57 Ca 0.04 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.58 1de3 n ASP 57 Cb 0.44 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 1de3 n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de3 n GLY 58 N 1.50 1.04 0.09 0.44 0.00 -1.26 -4.92 105.19 102.08 1de3 n GLY 58 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1de3 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1de3 n ASP 59 N 0.00 1.16 0.00 1.61 8.00 -1.26 -0.09 116.55 125.97 1de3 n ASP 59 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1de3 n ASP 59 Cb 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de3 n GLY 60 N 2.07 0.51 3.67 0.44 0.00 -1.26 -4.87 105.19 105.74 1de3 n GLY 60 Ca -0.29 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 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 2.69 -4.11 1.61 4.76 -1.26 -4.66 118.16 117.19 1de3 n LYS 61 Ca 0.00 0.99 -0.24 0.00 -2.87 0.00 0.00 58.31 56.19 1de3 n LYS 61 Cb 0.00 -2.91 -0.07 0.00 -1.84 0.00 0.00 35.03 30.21 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 4.20 3.19 0.00 -0.35 1.43 -1.26 0.94 118.68 126.83 1de3 s LEU 62 Ca 0.89 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1de3 s LEU 62 Cb -0.50 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1de3 s LEU 62 CO 0.44 -0.38 0.13 -0.81 0.23 0.00 0.00 176.35 175.96 1de3 n PRO 63 N -1.17 0.00 -1.17 1.29 -0.04 -1.24 -4.22 135.00 128.44 1de3 n PRO 63 Ca -0.02 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.18 1de3 n PRO 63 Cb 0.62 -0.52 -0.10 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.31 2.88 0.00 0.54 4.81 -1.26 -4.67 118.16 120.15 1de3 n LYS 64 Ca 0.00 -1.64 0.00 0.00 -0.87 0.00 0.00 58.31 55.80 1de3 n LYS 64 Cb 0.00 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.64 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 3.00 1.22 3.15 3.14 0.00 -1.26 -4.40 105.19 110.05 1de3 n GLY 65 Ca 0.61 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.69 1de3 n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1de3 s ARG 66 N 0.00 0.11 -0.34 1.61 3.52 -1.26 -4.26 118.95 118.34 1de3 s ARG 66 Ca 0.00 0.15 0.12 0.00 -0.13 0.00 0.00 55.73 55.88 1de3 s ARG 66 Cb 0.00 0.08 0.46 0.00 -1.56 0.00 0.00 34.95 33.93 1de3 s ARG 66 CO 0.00 -0.17 1.09 -2.37 -0.81 0.00 0.00 175.30 173.04 1de3 n THR 67 N 5.27 1.84 -2.46 4.11 5.66 -1.26 -5.04 114.28 122.40 1de3 n THR 67 Ca 0.01 -3.88 -0.41 0.00 -3.05 0.00 0.00 64.05 56.73 1de3 n THR 67 Cb 0.56 -0.22 -0.04 0.00 -1.55 0.00 0.00 70.33 69.08 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 -3.51 4.57 -0.06 1.09 0.04 -1.25 -4.77 135.00 131.11 1de3 s PRO 68 Ca 0.39 1.78 -0.34 0.00 0.04 0.00 0.00 61.00 62.88 1de3 s PRO 68 Cb 0.40 -3.25 -0.12 0.00 0.04 0.00 0.00 34.50 31.58 1de3 s PRO 68 CO -0.05 0.05 1.88 -0.89 0.04 0.00 0.00 177.00 178.04 1de3 n ILE 69 N 2.16 0.58 -2.76 0.56 5.41 -1.26 -4.92 119.36 119.13 1de3 n ILE 69 Ca 0.02 -0.10 -0.42 0.00 1.00 0.00 0.00 62.75 63.25 1de3 n ILE 69 Cb 0.45 -1.91 -0.03 0.00 -0.71 0.00 0.00 39.64 37.44 1de3 n ILE 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1de3 s LYS 70 N 3.97 4.15 -0.23 0.38 0.00 -1.26 -4.91 119.74 121.83 1de3 s LYS 70 Ca 0.92 1.06 0.08 0.00 0.00 0.00 0.00 55.97 58.03 1de3 s LYS 70 Cb -0.66 -3.68 -0.20 0.00 0.00 0.00 0.00 37.83 33.29 1de3 s LYS 70 CO 0.50 -0.67 -0.08 1.19 0.00 0.00 0.00 175.35 176.28 1de3 n PHE 71 N 6.35 0.04 0.00 1.78 3.72 -1.26 -4.99 117.46 123.10 1de3 n PHE 71 Ca 0.09 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1de3 n PHE 71 Cb 0.47 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 1de3 n PHE 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1de3 n GLY 72 N 2.04 1.72 0.00 1.37 0.00 -1.26 -5.03 105.19 104.03 1de3 n GLY 72 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1de3 n GLY 72 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1de3 n LYS 73 N -0.86 2.23 0.00 1.61 4.76 -1.26 -5.10 118.16 119.54 1de3 n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1de3 n LYS 73 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1de3 n LYS 73 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1de3 n SER 74 N -1.27 0.70 0.07 4.39 7.64 -1.26 -4.49 113.62 119.40 1de3 n SER 74 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1de3 n SER 74 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1de3 n SER 74 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1de3 h ASP 75 N 0.00 0.00 0.78 6.43 3.32 -1.99 -2.44 116.42 122.52 1de3 h ASP 75 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1de3 h ASP 75 Cb 0.78 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 1de3 h ASP 75 CO 0.00 0.94 -0.86 0.00 -1.72 0.00 0.00 179.24 177.60 1de3 n ASP 77 N -3.57 0.84 -4.77 0.00 2.03 -1.21 -4.93 116.55 104.94 1de3 n ASP 77 Ca -0.01 -1.12 -0.31 0.00 0.52 0.00 0.00 54.79 53.87 1de3 n ASP 77 Cb 0.81 -0.01 0.10 0.00 -0.72 0.00 0.00 41.12 41.30 1de3 n ASP 77 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1de3 s ARG 78 N -2.14 2.11 -0.16 -0.67 0.52 -0.92 -4.98 118.95 112.71 1de3 s ARG 78 Ca 0.38 0.99 -0.29 0.00 -0.52 0.00 0.00 55.73 56.28 1de3 s ARG 78 Cb 0.21 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 1de3 s ARG 78 CO 0.39 -1.69 1.67 -1.25 0.02 0.00 0.00 175.30 174.43 1de3 s PRO 79 N -4.96 3.89 -0.31 3.54 0.04 -1.26 -4.96 135.00 130.97 1de3 s PRO 79 Ca 0.61 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 1de3 s PRO 79 Cb -0.16 -4.04 -0.00 0.00 0.04 0.00 0.00 34.50 30.33 1de3 s PRO 79 CO 0.56 -1.18 1.40 -1.25 0.04 0.00 0.00 177.00 176.56 1de3 s PRO 80 N 4.55 3.80 -1.17 0.56 0.04 -1.26 -4.88 135.00 136.63 1de3 s PRO 80 Ca 0.74 1.26 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 1de3 s PRO 80 Cb -0.28 -3.95 0.19 0.00 0.04 0.00 0.00 34.50 30.50 1de3 s PRO 80 CO 0.30 -1.27 1.35 0.21 0.04 0.00 0.00 177.00 177.62 1de3 s LYS 81 N 4.47 4.10 0.12 4.56 2.20 -1.25 -4.22 119.74 129.73 1de3 s LYS 81 Ca 0.61 -2.70 -0.30 0.00 -0.36 0.00 0.00 55.97 53.21 1de3 s LYS 81 Cb -0.18 -4.94 -0.06 0.00 -1.51 0.00 0.00 37.83 31.15 1de3 s LYS 81 CO 0.27 -1.64 0.97 -1.58 -0.36 0.00 0.00 175.35 173.00 1de3 s HIS 82 N 0.95 3.82 0.00 4.03 5.65 0.88 -4.01 115.29 126.60 1de3 s HIS 82 Ca 0.39 1.80 0.00 0.00 0.25 0.00 0.00 55.06 57.51 1de3 s HIS 82 Cb -0.05 -3.06 0.00 0.00 -1.18 0.00 0.00 32.58 28.30 1de3 s HIS 82 CO -0.02 0.19 0.00 0.45 -0.65 0.00 0.00 174.74 174.71 1de3 n SER 83 N 2.69 0.00 -0.04 9.88 2.88 -1.26 -4.55 113.62 123.23 1de3 n SER 83 Ca 0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.43 1de3 n SER 83 Cb 0.49 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.19 -0.07 -1.46 6.56 -2.00 -3.35 116.57 116.44 1de3 h LYS 84 Ca 0.00 -0.11 -0.02 0.00 -1.06 0.00 0.00 60.65 59.46 1de3 h LYS 84 Cb 0.00 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.66 1de3 h LYS 84 CO 0.00 0.66 -0.14 -0.40 -2.06 0.00 0.00 179.45 177.51 1de3 n ASP 85 N -4.67 2.40 -2.92 0.86 5.75 -1.26 -5.02 116.55 111.69 1de3 n ASP 85 Ca -0.07 -3.36 -0.17 0.00 -0.01 0.00 0.00 54.79 51.17 1de3 n ASP 85 Cb 0.33 -0.49 0.01 0.00 -1.03 0.00 0.00 41.12 39.94 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de3 n GLY 86 N -1.20 -0.41 2.07 6.12 0.00 -1.26 -3.28 105.19 107.24 1de3 n GLY 86 Ca 0.19 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.65 -1.36 0.00 1.61 6.94 -1.26 -1.81 115.26 118.73 1de3 n ASN 87 Ca -0.13 0.38 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 1de3 n ASN 87 Cb 0.39 1.46 0.00 0.00 -2.36 0.00 0.00 39.78 39.27 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 -0.31 0.90 0.07 4.83 0.00 -1.26 -2.61 105.19 106.82 1de3 n GLY 88 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -0.59 1.61 1.63 -2.02 -3.42 116.57 113.78 1de3 h LYS 89 Ca 0.00 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.52 1de3 h LYS 89 Cb 0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.23 1de3 h LYS 89 CO 0.00 0.60 -1.13 -2.37 -3.45 0.00 0.00 179.45 173.09 1de3 n THR 90 N -4.64 1.22 -1.53 1.00 5.66 -1.26 -5.12 114.28 109.63 1de3 n THR 90 Ca -0.10 -2.98 -0.46 0.00 -3.05 0.00 0.00 64.05 57.46 1de3 n THR 90 Cb 0.34 1.10 -0.02 0.00 -1.55 0.00 0.00 70.33 70.20 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 -0.46 0.44 -2.67 1.09 2.03 -1.07 -4.92 116.55 110.99 1de3 n ASP 91 Ca 0.08 1.16 -0.21 0.00 0.52 0.00 0.00 54.79 56.34 1de3 n ASP 91 Cb 0.81 -1.17 -0.00 0.00 -0.72 0.00 0.00 41.12 40.04 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 0.24 2.54 -3.08 -0.67 1.44 -1.26 -4.31 115.22 110.13 1de3 n HIS 92 Ca 0.13 -3.23 -0.25 0.00 -2.01 0.00 0.00 57.72 52.36 1de3 n HIS 92 Cb 0.29 -0.26 -0.01 0.00 0.12 0.00 0.00 29.99 30.13 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 -3.30 3.53 -0.24 -1.40 1.13 -1.26 -3.80 117.35 112.01 1de3 s TYR 93 Ca 0.41 0.55 -0.19 0.00 -1.41 0.00 0.00 57.07 56.42 1de3 s TYR 93 Cb 0.39 -2.06 -0.02 0.00 -1.10 0.00 0.00 41.96 39.17 1de3 s TYR 93 CO -0.10 -0.04 0.58 -0.51 -2.51 0.00 0.00 175.55 172.97 1de3 s LEU 94 N -4.46 4.08 0.41 -3.49 1.43 -1.26 -3.52 118.68 111.87 1de3 s LEU 94 Ca 0.43 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 54.27 1de3 s LEU 94 Cb -0.10 -2.78 -0.00 0.00 0.03 0.00 0.00 46.19 43.34 1de3 s LEU 94 CO 0.39 -0.31 0.48 -0.76 0.23 0.00 0.00 176.35 176.39 1de3 s LEU 95 N 2.27 3.56 0.01 1.79 1.02 -0.72 0.32 118.68 126.92 1de3 s LEU 95 Ca 0.25 -0.55 -0.11 0.00 0.02 0.00 0.00 54.13 53.74 1de3 s LEU 95 Cb -0.16 -2.41 0.01 0.00 0.02 0.00 0.00 46.19 43.66 1de3 s LEU 95 CO 0.09 -0.70 0.23 -1.83 0.02 0.00 0.00 176.35 174.17 1de3 s GLU 96 N -4.25 0.63 -0.01 1.70 1.03 -0.62 -3.01 118.70 114.16 1de3 s GLU 96 Ca 0.52 -0.37 0.01 0.00 0.03 0.00 0.00 54.97 55.16 1de3 s GLU 96 Cb -0.07 0.27 0.01 0.00 -0.80 0.00 0.00 34.13 33.53 1de3 s GLU 96 CO 0.31 -0.17 -0.04 0.12 -1.33 0.00 0.00 175.26 174.15 1de3 s PHE 97 N -1.68 0.44 -0.94 4.83 2.19 -0.72 -3.14 117.98 118.95 1de3 s PHE 97 Ca -0.12 -0.08 -0.24 0.00 0.33 0.00 0.00 56.93 56.82 1de3 s PHE 97 Cb -0.05 -0.35 -0.05 0.00 -1.31 0.00 0.00 43.02 41.26 1de3 s PHE 97 CO 0.01 -0.06 1.93 -1.25 1.83 0.00 0.00 175.22 177.68 1de3 s PRO 98 N 0.28 2.59 -0.23 10.12 0.04 -1.26 -0.83 135.00 145.70 1de3 s PRO 98 Ca -0.03 -0.44 -0.29 0.00 0.04 0.00 0.00 61.00 60.28 1de3 s PRO 98 Cb -0.06 -5.10 0.01 0.00 0.04 0.00 0.00 34.50 29.39 1de3 s PRO 98 CO -0.00 -3.41 1.09 -0.08 0.04 0.00 0.00 177.00 174.63 1de3 s THR 99 N 9.99 4.58 0.25 1.26 -1.32 -1.19 -4.75 115.64 124.47 1de3 s THR 99 Ca 0.69 1.90 -0.07 0.00 -1.21 0.00 0.00 61.69 63.00 1de3 s THR 99 Cb -0.06 -4.27 -0.06 0.00 -1.51 0.00 0.00 72.50 66.60 1de3 s THR 99 CO 0.01 -0.22 0.54 -0.36 -2.21 0.00 0.00 174.62 172.38 1de3 s PHE 100 N 3.33 3.45 0.12 9.09 0.40 -1.26 -4.71 117.98 128.40 1de3 s PHE 100 Ca 0.46 0.75 -0.10 0.00 -0.60 0.00 0.00 56.93 57.44 1de3 s PHE 100 Cb -0.16 -2.18 -0.12 0.00 0.51 0.00 0.00 43.02 41.08 1de3 s PHE 100 CO 0.09 0.23 1.31 -1.00 0.70 0.00 0.00 175.22 176.55 1de3 h PRO 101 N 2.15 0.68 -1.06 0.24 0.13 -1.93 -3.04 132.00 129.17 1de3 h PRO 101 Ca -0.47 -0.59 0.31 0.00 -0.87 0.00 0.00 66.00 64.37 1de3 h PRO 101 Cb 1.18 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1de3 h PRO 101 CO 0.68 1.20 0.76 0.22 -0.23 0.00 0.00 178.00 180.64 1de3 h ASP 102 N 0.45 0.00 0.00 1.44 1.82 -1.96 -3.45 116.42 114.72 1de3 h ASP 102 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1de3 h ASP 102 Cb 1.44 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.45 1de3 h ASP 102 CO 0.16 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.40 1de3 n GLY 103 N -1.75 0.53 3.84 -0.78 0.00 -1.15 -5.06 105.19 100.82 1de3 n GLY 103 Ca 0.22 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.03 1.61 -3.43 -1.26 -4.96 115.29 107.71 1de3 s HIS 104 Ca 0.00 1.26 -0.19 0.00 -0.80 0.00 0.00 55.06 55.33 1de3 s HIS 104 Cb 0.00 -2.55 0.11 0.00 -1.43 0.00 0.00 32.58 28.71 1de3 s HIS 104 CO 0.00 0.21 1.32 0.34 -2.00 0.00 0.00 174.74 174.61 1de3 s ASP 105 N -2.00 6.69 0.06 7.38 2.15 -1.26 -4.44 116.67 125.25 1de3 s ASP 105 Ca 0.49 -2.09 -0.28 0.00 0.43 0.00 0.00 52.55 51.10 1de3 s ASP 105 Cb -0.13 -2.46 -0.15 0.00 -0.30 0.00 0.00 42.92 39.88 1de3 s ASP 105 CO 0.19 -1.14 0.69 0.00 -0.17 0.00 0.00 175.17 174.74 1de3 n TYR 106 N 7.18 0.15 -1.59 -5.34 9.36 -1.26 -4.71 117.16 120.95 1de3 n TYR 106 Ca 0.31 0.83 -0.14 0.00 3.32 0.00 0.00 57.90 62.21 1de3 n TYR 106 Cb 0.48 -1.65 -0.10 0.00 -0.63 0.00 0.00 39.34 37.44 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 -0.32 1.31 0.07 2.98 0.00 -1.26 -4.68 119.74 117.84 1de3 s LYS 107 Ca 0.65 -0.09 0.26 0.00 0.00 0.00 0.00 55.97 56.79 1de3 s LYS 107 Cb -0.92 -4.91 0.73 0.00 0.00 0.00 0.00 37.83 32.74 1de3 s LYS 107 CO 0.46 -5.15 1.61 1.97 0.00 0.00 0.00 175.35 174.23 1de3 n PHE 108 N 19.43 0.33 1.05 1.78 -1.74 -1.26 -3.28 117.46 133.76 1de3 n PHE 108 Ca 0.43 0.10 0.12 0.00 -0.56 0.00 0.00 57.45 57.54 1de3 n PHE 108 Cb 0.45 -0.56 0.33 0.00 1.52 0.00 0.00 39.48 41.22 1de3 n PHE 108 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1de3 n ASP 109 N -1.81 0.51 -4.44 5.98 5.68 -1.26 -0.06 116.55 121.15 1de3 n ASP 109 Ca 0.05 -0.26 -0.44 0.00 -0.50 0.00 0.00 54.79 53.64 1de3 n ASP 109 Cb 0.38 0.14 -0.03 0.00 -1.14 0.00 0.00 41.12 40.47 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1de3 s SER 110 N -2.91 6.46 0.03 -1.12 0.15 -1.21 -3.31 113.70 111.78 1de3 s SER 110 Ca 0.14 -1.71 -0.16 0.00 0.70 0.00 0.00 55.95 54.92 1de3 s SER 110 Cb 0.18 -2.39 -0.09 0.00 -1.71 0.00 0.00 66.02 62.01 1de3 s SER 110 CO 0.65 -1.16 1.24 0.50 1.20 0.00 0.00 173.24 175.67 1de3 h LYS 111 N 9.04 -0.57 -4.00 5.44 3.64 -1.87 -3.18 116.57 125.06 1de3 h LYS 111 Ca -0.02 0.04 -0.48 0.00 -1.27 0.00 0.00 60.65 58.91 1de3 h LYS 111 Cb 1.04 0.13 -0.37 0.00 -0.41 0.00 0.00 32.23 32.62 1de3 h LYS 111 CO 1.11 -0.38 -0.79 0.21 -2.27 0.00 0.00 179.45 177.34 1de3 s LYS 112 N -4.28 1.11 0.97 1.90 2.36 -1.26 -3.72 119.74 116.81 1de3 s LYS 112 Ca -0.09 -0.10 -0.16 0.00 -2.55 0.00 0.00 55.97 53.08 1de3 s LYS 112 Cb 0.01 -1.29 0.19 0.00 -1.05 0.00 0.00 37.83 35.69 1de3 s LYS 112 CO 0.26 -0.27 1.28 -1.25 1.55 0.00 0.00 175.35 176.92 1de3 s PRO 113 N 1.77 0.63 -0.25 4.03 0.04 -1.26 -5.18 135.00 134.77 1de3 s PRO 113 Ca 0.04 -0.29 -0.03 0.00 0.04 0.00 0.00 61.00 60.76 1de3 s PRO 113 Cb -0.13 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.73 1de3 s PRO 113 CO -0.06 -2.44 0.44 0.21 0.04 0.00 0.00 177.00 175.18 1de3 s LYS 114 N -5.79 0.40 0.34 4.56 2.20 -1.24 -4.73 119.74 115.48 1de3 s LYS 114 Ca 0.72 0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 56.75 1de3 s LYS 114 Cb -0.06 -0.13 -0.11 0.00 -1.51 0.00 0.00 37.83 36.02 1de3 s LYS 114 CO 0.53 -0.60 1.45 -2.00 -0.36 0.00 0.00 175.35 174.37 1de3 s GLU 115 N 2.64 4.20 0.23 4.03 2.12 -1.26 -4.95 118.70 125.69 1de3 s GLU 115 Ca 0.13 2.44 -0.31 0.00 0.36 0.00 0.00 54.97 57.60 1de3 s GLU 115 Cb -0.15 -3.02 -0.15 0.00 0.26 0.00 0.00 34.13 31.07 1de3 s GLU 115 CO -0.17 -0.44 1.14 -1.71 -0.54 0.00 0.00 175.26 173.54 1de3 n ASN 116 N 0.99 1.54 -2.68 -1.70 2.85 -1.26 -4.98 115.26 110.02 1de3 n ASN 116 Ca 0.02 1.16 -0.05 0.00 -0.11 0.00 0.00 54.58 55.59 1de3 n ASN 116 Cb 0.40 -1.28 0.05 0.00 1.24 0.00 0.00 39.78 40.19 1de3 n ASN 116 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1de3 n PRO 117 N 1.39 -1.35 -3.97 1.20 -0.04 -1.26 -5.09 135.00 125.88 1de3 n PRO 117 Ca 0.12 -0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 63.04 1de3 n PRO 117 Cb 0.29 -0.30 -0.05 0.00 -0.04 0.00 0.00 33.50 33.40 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 -2.88 1.92 0.05 0.55 0.00 -1.26 -5.06 107.32 100.64 1de3 s GLY 118 Ca 0.13 -1.79 -0.18 0.00 0.00 0.00 0.00 44.72 42.89 1de3 s GLY 118 CO 0.10 -1.70 1.31 -0.56 0.00 0.00 0.00 173.10 172.25 1de3 h PRO 119 N 1.41 0.51 -6.79 2.90 0.13 -1.94 -3.44 132.00 124.78 1de3 h PRO 119 Ca -0.44 -0.33 -0.50 0.00 -0.87 0.00 0.00 66.00 63.86 1de3 h PRO 119 Cb 1.25 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1de3 h PRO 119 CO 0.61 0.94 0.41 0.00 -0.23 0.00 0.00 178.00 179.74 1de3 s ALA 120 N -4.02 3.36 -0.06 -0.56 0.00 -1.26 -2.91 121.76 116.31 1de3 s ALA 120 Ca -0.13 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 1de3 s ALA 120 Cb 0.06 -3.27 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1de3 s ALA 120 CO 0.80 0.02 0.15 1.03 0.00 0.00 0.00 175.76 177.76 1de3 s ARG 121 N -1.36 0.11 -0.14 0.00 0.52 0.14 -3.14 118.95 115.07 1de3 s ARG 121 Ca 0.43 0.33 -0.29 0.00 -0.52 0.00 0.00 55.73 55.68 1de3 s ARG 121 Cb -0.29 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.06 1de3 s ARG 121 CO 0.36 -0.13 1.04 0.54 0.02 0.00 0.00 175.30 177.13 1de3 s VAL 122 N 0.92 4.69 0.00 3.52 0.11 -0.01 -1.22 120.40 128.42 1de3 s VAL 122 Ca -0.07 1.99 0.00 0.00 -2.93 0.00 0.00 61.98 60.97 1de3 s VAL 122 Cb -0.09 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.44 1de3 s VAL 122 CO -0.05 -0.06 0.07 -0.63 -3.33 0.00 0.00 175.10 171.10 1de3 s ILE 123 N 2.47 4.61 -0.28 7.04 -1.09 -0.68 -1.75 121.20 131.51 1de3 s ILE 123 Ca 0.48 -0.47 -0.26 0.00 -2.23 0.00 0.00 60.65 58.16 1de3 s ILE 123 Cb -0.18 -3.11 0.16 0.00 -1.58 0.00 0.00 42.46 37.76 1de3 s ILE 123 CO 0.14 0.34 1.27 -0.72 -1.23 0.00 0.00 174.94 174.74 1de3 s TYR 124 N -1.19 -0.21 0.00 3.97 1.13 -1.16 -1.11 117.35 118.78 1de3 s TYR 124 Ca 0.23 0.49 0.00 0.00 -1.41 0.00 0.00 57.07 56.38 1de3 s TYR 124 Cb -0.12 0.44 0.00 0.00 -1.10 0.00 0.00 41.96 41.18 1de3 s TYR 124 CO 0.14 -0.11 0.00 0.25 -2.51 0.00 0.00 175.55 173.31 1de3 n THR 125 N 1.62 0.00 -3.62 -3.49 -2.24 -1.24 -1.75 114.28 103.56 1de3 n THR 125 Ca -0.10 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1de3 n THR 125 Cb 0.57 -0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 67.86 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 -0.51 -0.59 -2.00 4.78 5.04 -1.23 -1.92 117.35 120.93 1de3 s TYR 126 Ca 0.00 1.37 0.22 0.00 -2.44 0.00 0.00 57.07 56.23 1de3 s TYR 126 Cb 0.00 0.34 1.33 0.00 0.35 0.00 0.00 41.96 43.98 1de3 s TYR 126 CO 0.00 -0.32 1.76 -0.35 -1.34 0.00 0.00 175.55 175.30 1de3 n PRO 127 N 2.15 0.84 -0.20 4.97 -0.04 -1.26 -4.39 135.00 137.07 1de3 n PRO 127 Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1de3 n PRO 127 Cb 0.56 -1.42 0.06 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.49 -2.44 3.54 2.35 -1.96 -3.45 115.58 113.12 1de3 h ASN 128 Ca 0.00 0.17 -0.38 0.00 -0.55 0.00 0.00 56.30 55.54 1de3 h ASN 128 Cb 0.00 0.35 -0.07 0.00 0.05 0.00 0.00 38.32 38.65 1de3 h ASN 128 CO 0.00 -0.18 -0.44 0.29 -1.65 0.00 0.00 177.43 175.45 1de3 n LYS 129 N -5.38 -1.67 -1.81 0.81 5.02 -0.81 -4.85 118.16 109.48 1de3 n LYS 129 Ca 0.07 0.99 -0.20 0.00 -2.02 0.00 0.00 58.31 57.15 1de3 n LYS 129 Cb 0.32 -5.53 -0.06 0.00 -0.02 0.00 0.00 35.03 29.74 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 -2.82 3.23 -0.50 -0.18 1.01 -1.26 -4.67 120.40 115.21 1de3 s VAL 130 Ca 0.00 -0.18 -0.44 0.00 0.00 0.00 0.00 61.98 61.35 1de3 s VAL 130 Cb 0.00 -3.51 -0.19 0.00 0.00 0.00 0.00 36.38 32.68 1de3 s VAL 130 CO 0.00 -0.48 2.08 0.33 0.00 0.00 0.00 175.10 177.03 1de3 n PHE 131 N 16.35 1.23 -0.06 5.22 7.35 -1.26 -3.69 117.46 142.60 1de3 n PHE 131 Ca 0.43 0.81 -0.03 0.00 -0.76 0.00 0.00 57.45 57.91 1de3 n PHE 131 Cb 0.45 -2.28 -0.01 0.00 0.35 0.00 0.00 39.48 37.99 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 1.69 2.07 2.72 0.00 0.00 -1.22 -5.03 105.19 105.42 1de3 n GLY 133 Ca -0.04 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.30 0.15 0.02 -0.61 1.09 -1.26 -1.69 121.20 117.60 1de3 s ILE 134 Ca 0.00 0.26 0.03 0.00 -1.10 0.00 0.00 60.65 59.85 1de3 s ILE 134 Cb 0.00 -0.36 -0.04 0.00 -1.06 0.00 0.00 42.46 41.01 1de3 s ILE 134 CO 0.00 0.22 -0.05 0.27 -0.10 0.00 0.00 174.94 175.29 1de3 s ILE 135 N 2.06 3.77 0.08 2.92 -5.25 -0.36 -0.77 121.20 123.66 1de3 s ILE 135 Ca 0.05 -0.80 0.01 0.00 -0.99 0.00 0.00 60.65 58.93 1de3 s ILE 135 Cb -0.12 -2.68 -0.04 0.00 2.95 0.00 0.00 42.46 42.57 1de3 s ILE 135 CO -0.04 0.34 -0.06 0.00 -1.79 0.00 0.00 174.94 173.38 1de3 s ALA 136 N -1.07 0.86 -0.24 2.27 0.00 -0.98 0.25 121.76 122.85 1de3 s ALA 136 Ca 0.19 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 1de3 s ALA 136 Cb -0.11 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.17 1de3 s ALA 136 CO 0.10 -0.22 1.10 -1.01 0.00 0.00 0.00 175.76 175.73 1de3 s HIS 137 N -3.32 3.17 0.00 0.00 3.76 -1.14 -0.52 115.29 117.23 1de3 s HIS 137 Ca 0.08 1.29 -0.02 0.00 -0.15 0.00 0.00 55.06 56.26 1de3 s HIS 137 Cb 0.03 -3.45 -0.09 0.00 1.11 0.00 0.00 32.58 30.18 1de3 s HIS 137 CO -0.05 -0.84 2.49 0.25 -0.85 0.00 0.00 174.74 175.74 1de3 n THR 138 N 5.51 2.27 -2.66 1.30 -2.24 -1.08 -3.79 114.28 113.60 1de3 n THR 138 Ca 0.13 -0.82 -0.04 0.00 -2.27 0.00 0.00 64.05 61.05 1de3 n THR 138 Cb 0.46 -1.66 0.06 0.00 -2.10 0.00 0.00 70.33 67.10 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 1.87 0.03 0.00 -0.78 4.81 -1.21 -4.11 118.16 118.77 1de3 n LYS 139 Ca 0.15 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.02 1de3 n LYS 139 Cb 0.62 0.11 0.00 0.00 0.02 0.00 0.00 35.03 35.78 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 1.90 0.00 -1.27 1.64 -0.58 0.21 -1.04 120.64 121.50 1de3 n GLU 140 Ca 0.04 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.75 1de3 n GLU 140 Cb 0.70 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.54 1de3 n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1de3 n ASN 141 N 2.23 -0.33 -3.80 1.62 2.85 -1.26 -4.50 115.26 112.07 1de3 n ASN 141 Ca 0.00 -2.01 -0.11 0.00 -0.11 0.00 0.00 54.58 52.35 1de3 n ASN 141 Cb 0.00 0.11 -0.05 0.00 1.24 0.00 0.00 39.78 41.08 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1de3 s GLN 142 N -0.08 1.62 0.10 1.20 0.74 -0.20 -4.98 119.66 118.06 1de3 s GLN 142 Ca 0.12 -1.43 0.00 0.00 0.05 0.00 0.00 55.36 54.10 1de3 s GLN 142 Cb 0.15 0.45 0.00 0.00 1.10 0.00 0.00 33.01 34.71 1de3 s GLN 142 CO -0.06 -0.66 0.00 0.41 -0.55 0.00 0.00 175.29 174.43 1de3 n GLY 143 N -0.42 -1.88 3.28 2.59 0.00 -1.26 -3.32 105.19 104.17 1de3 n GLY 143 Ca -0.01 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 1de3 n GLY 143 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1de3 n GLU 144 N -2.53 0.08 -3.63 1.61 0.28 -1.26 -4.56 120.64 110.63 1de3 n GLU 144 Ca -0.01 0.03 -0.36 0.00 -0.16 0.00 0.00 57.16 56.66 1de3 n GLU 144 Cb 0.15 -1.12 -0.09 0.00 1.43 0.00 0.00 31.44 31.81 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1de3 s LEU 145 N 4.38 4.14 -0.26 -1.84 1.43 -1.26 -2.63 118.68 122.65 1de3 s LEU 145 Ca 0.58 0.20 -0.14 0.00 -1.03 0.00 0.00 54.13 53.74 1de3 s LEU 145 Cb -0.48 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1de3 s LEU 145 CO 0.65 0.07 0.33 -0.75 0.23 0.00 0.00 176.35 176.87 1de3 s LYS 146 N 0.93 4.03 -0.44 1.70 2.20 0.32 -4.86 119.74 123.64 1de3 s LYS 146 Ca 0.09 -0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.39 1de3 s LYS 146 Cb -0.13 -3.63 -0.09 0.00 -1.51 0.00 0.00 37.83 32.47 1de3 s LYS 146 CO 0.04 -0.19 2.35 -0.11 -0.36 0.00 0.00 175.35 177.07 1de3 n LEU 147 N 5.06 2.34 -4.53 5.43 7.94 -1.26 -2.33 117.00 129.65 1de3 n LEU 147 Ca -0.10 -0.06 -0.33 0.00 -1.11 0.00 0.00 56.01 54.40 1de3 n LEU 147 Cb 0.51 -1.45 0.12 0.00 0.53 0.00 0.00 43.42 43.13 1de3 n LEU 147 CO 0.37 -1.08 0.27 0.00 -1.11 0.00 0.00 177.39 175.84 1de3 s SER 149 N -2.02 1.12 0.00 0.00 1.04 -1.11 -4.74 113.70 108.00 1de3 s SER 149 Ca 0.64 -0.18 0.16 0.00 0.48 0.00 0.00 55.95 57.05 1de3 s SER 149 Cb -0.26 -0.12 0.12 0.00 0.10 0.00 0.00 66.02 65.86 1de3 s SER 149 CO 0.60 0.11 0.99 0.00 0.98 0.00 0.00 173.24 175.93