#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 -0.65 -0.82 0.00 1.01 -1.26 -5.07 120.40 113.61 1de3 s VAL 2 Ca 0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 1de3 s VAL 2 Cb 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 35.86 1de3 s VAL 2 CO 0.00 -0.30 1.25 -0.89 0.00 0.00 0.00 175.10 175.17 1de3 s THR 3 N 1.92 3.98 -0.58 3.92 2.01 -1.26 -1.09 115.64 124.54 1de3 s THR 3 Ca 0.14 -0.24 -0.27 0.00 0.31 0.00 0.00 61.69 61.63 1de3 s THR 3 Cb -0.11 -4.90 0.03 0.00 0.01 0.00 0.00 72.50 67.53 1de3 s THR 3 CO -0.13 -1.77 1.14 0.26 -0.69 0.00 0.00 174.62 173.43 1de3 s TRP 4 N 4.94 2.63 -0.25 4.92 0.52 0.90 -3.88 118.94 128.72 1de3 s TRP 4 Ca 0.35 0.29 -0.06 0.00 0.02 0.00 0.00 56.10 56.71 1de3 s TRP 4 Cb -0.07 -4.42 -0.01 0.00 -1.15 0.00 0.00 33.47 27.82 1de3 s TRP 4 CO 0.05 -1.56 0.03 0.99 0.02 0.00 0.00 176.95 176.48 1de3 s THR 5 N 4.76 3.80 -0.15 2.01 2.01 -0.67 0.42 115.64 127.81 1de3 s THR 5 Ca 0.40 -0.50 -0.04 0.00 0.31 0.00 0.00 61.69 61.86 1de3 s THR 5 Cb -0.09 -2.83 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1de3 s THR 5 CO 0.23 0.28 -0.03 0.00 -0.69 0.00 0.00 174.62 174.41 1de3 s LEU 7 N 0.30 6.28 0.25 0.00 1.43 -1.26 0.55 118.68 126.23 1de3 s LEU 7 Ca -0.03 -2.91 -0.02 0.00 -1.03 0.00 0.00 54.13 50.14 1de3 s LEU 7 Cb -0.14 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 1de3 s LEU 7 CO 0.03 -0.56 0.46 0.20 0.23 0.00 0.00 176.35 176.71 1de3 s ASN 8 N 2.14 6.39 -0.14 2.29 -0.87 -1.12 -4.57 114.94 119.06 1de3 s ASN 8 Ca 0.26 0.50 -0.15 0.00 -1.57 0.00 0.00 52.86 51.90 1de3 s ASN 8 Cb -0.09 -2.05 -0.05 0.00 -0.02 0.00 0.00 41.25 39.04 1de3 s ASN 8 CO -0.08 -0.13 0.35 -0.62 -2.57 0.00 0.00 177.10 174.06 1de3 s ASP 9 N -3.29 6.53 -0.16 -1.22 2.15 -1.26 -1.83 116.67 117.60 1de3 s ASP 9 Ca 0.40 0.63 0.02 0.00 0.43 0.00 0.00 52.55 54.03 1de3 s ASP 9 Cb -0.11 -2.22 0.01 0.00 -0.30 0.00 0.00 42.92 40.31 1de3 s ASP 9 CO 0.30 0.08 -0.21 -1.10 -0.17 0.00 0.00 175.17 174.08 1de3 s GLN 10 N 0.42 3.02 -1.02 4.34 -0.21 0.26 0.37 119.66 126.85 1de3 s GLN 10 Ca 0.20 -0.84 -0.18 0.00 0.02 0.00 0.00 55.36 54.56 1de3 s GLN 10 Cb -0.14 -2.50 0.13 0.00 1.00 0.00 0.00 33.01 31.51 1de3 s GLN 10 CO 0.06 -0.08 1.24 0.21 -2.12 0.00 0.00 175.29 174.61 1de3 s LYS 11 N 0.98 3.74 0.10 2.91 2.47 -1.26 -0.31 119.74 128.37 1de3 s LYS 11 Ca -0.03 -1.94 -0.32 0.00 -1.56 0.00 0.00 55.97 52.12 1de3 s LYS 11 Cb -0.15 -5.00 -0.12 0.00 -1.46 0.00 0.00 37.83 31.11 1de3 s LYS 11 CO -0.06 -1.81 1.78 -1.71 0.16 0.00 0.00 175.35 173.71 1de3 n ASN 12 N 6.52 3.71 0.15 1.43 5.15 0.73 -4.82 115.26 128.13 1de3 n ASN 12 Ca 0.29 1.01 0.02 0.00 -0.60 0.00 0.00 54.58 55.29 1de3 n ASN 12 Cb 0.48 -1.49 0.18 0.00 -0.53 0.00 0.00 39.78 38.42 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 7.92 0.00 -0.26 1.20 0.13 -1.94 0.25 132.00 139.31 1de3 h PRO 13 Ca -0.46 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 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1de3 h PRO 13 CO 0.93 0.54 0.15 -0.22 -0.23 0.00 0.00 178.00 179.18 1de3 h LYS 14 N 0.00 0.35 -0.02 0.86 1.63 -1.96 -2.84 116.57 114.58 1de3 h LYS 14 Ca -0.01 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1de3 h LYS 14 Cb 1.15 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1de3 h LYS 14 CO 0.07 0.28 -0.13 0.25 -3.45 0.00 0.00 179.45 176.47 1de3 n THR 15 N -4.87 0.00 -2.11 1.00 -2.24 -1.22 -4.95 114.28 99.88 1de3 n THR 15 Ca -0.02 -0.43 -0.05 0.00 -2.27 0.00 0.00 64.05 61.27 1de3 n THR 15 Cb 0.05 1.39 -0.01 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.85 -1.94 -4.46 3.42 5.15 0.82 -4.90 115.26 114.21 1de3 n ASN 16 Ca 0.12 0.31 -0.24 0.00 -0.60 0.00 0.00 54.58 54.16 1de3 n ASN 16 Cb 0.52 -1.83 -0.10 0.00 -0.53 0.00 0.00 39.78 37.84 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1de3 s LYS 17 N -4.30 1.65 -0.14 1.20 1.02 -0.92 -4.90 119.74 113.35 1de3 s LYS 17 Ca 0.00 -1.75 -0.08 0.00 0.02 0.00 0.00 55.97 54.16 1de3 s LYS 17 Cb 0.00 -1.74 -0.04 0.00 -0.52 0.00 0.00 37.83 35.53 1de3 s LYS 17 CO 0.00 0.33 0.15 0.71 -0.92 0.00 0.00 175.35 175.61 1de3 s TYR 18 N -2.49 3.56 0.02 3.18 2.02 -1.26 -0.19 117.35 122.19 1de3 s TYR 18 Ca 0.29 0.50 0.01 0.00 -0.37 0.00 0.00 57.07 57.50 1de3 s TYR 18 Cb -0.05 -2.00 -0.02 0.00 -0.40 0.00 0.00 41.96 39.49 1de3 s TYR 18 CO 0.14 0.63 -0.04 -1.21 -1.57 0.00 0.00 175.55 173.50 1de3 s GLU 19 N -0.70 0.34 -1.01 -0.62 2.02 0.58 -4.92 118.70 114.39 1de3 s GLU 19 Ca 0.14 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.51 1de3 s GLU 19 Cb -0.12 -0.07 0.25 0.00 0.10 0.00 0.00 34.13 34.30 1de3 s GLU 19 CO 0.03 0.00 0.97 0.99 0.02 0.00 0.00 175.26 177.27 1de3 s THR 20 N -1.13 5.53 0.79 3.63 2.01 -1.26 0.89 115.64 126.11 1de3 s THR 20 Ca -0.11 -3.38 -0.11 0.00 0.31 0.00 0.00 61.69 58.40 1de3 s THR 20 Cb -0.08 -4.36 0.06 0.00 0.01 0.00 0.00 72.50 68.14 1de3 s THR 20 CO -0.00 -1.13 1.09 -0.54 -0.69 0.00 0.00 174.62 173.34 1de3 s LYS 21 N -1.06 2.16 -0.50 4.92 -0.14 -0.76 -4.85 119.74 119.50 1de3 s LYS 21 Ca 0.28 0.85 -0.12 0.00 -1.36 0.00 0.00 55.97 55.62 1de3 s LYS 21 Cb -0.10 -1.91 0.13 0.00 -1.68 0.00 0.00 37.83 34.27 1de3 s LYS 21 CO -0.09 -1.62 0.42 1.03 -0.76 0.00 0.00 175.35 174.32 1de3 s ARG 22 N -5.04 2.71 -1.09 1.68 0.52 -1.26 -2.79 118.95 113.68 1de3 s ARG 22 Ca 0.61 -1.75 -0.20 0.00 -0.52 0.00 0.00 55.73 53.87 1de3 s ARG 22 Cb -0.16 -4.09 0.09 0.00 0.52 0.00 0.00 34.95 31.31 1de3 s ARG 22 CO 0.55 -1.26 1.45 -1.17 0.02 0.00 0.00 175.30 174.89 1de3 s LEU 23 N 1.45 4.09 0.08 2.53 2.96 0.19 -4.88 118.68 125.09 1de3 s LEU 23 Ca 0.05 -1.99 -0.30 0.00 -0.22 0.00 0.00 54.13 51.67 1de3 s LEU 23 Cb -0.28 -2.52 -0.06 0.00 0.50 0.00 0.00 46.19 43.84 1de3 s LEU 23 CO 0.01 -1.25 1.13 -0.22 -1.32 0.00 0.00 176.35 174.70 1de3 s LEU 24 N 3.92 4.40 -0.08 -0.68 1.98 -1.26 0.22 118.68 127.18 1de3 s LEU 24 Ca 0.45 1.96 0.02 0.00 -2.89 0.00 0.00 54.13 53.66 1de3 s LEU 24 Cb -0.00 -3.58 0.01 0.00 0.66 0.00 0.00 46.19 43.28 1de3 s LEU 24 CO -0.05 -0.37 -0.13 -0.31 -1.89 0.00 0.00 176.35 173.61 1de3 s TYR 25 N 0.75 1.56 -0.31 5.38 1.51 0.17 -4.72 117.35 121.69 1de3 s TYR 25 Ca 0.55 -0.62 -0.27 0.00 -1.01 0.00 0.00 57.07 55.72 1de3 s TYR 25 Cb -0.28 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1de3 s TYR 25 CO 0.30 -0.33 0.96 1.21 -1.11 0.00 0.00 175.55 176.59 1de3 s ASN 26 N 0.79 6.85 0.41 2.29 2.47 -1.26 -0.07 114.94 126.42 1de3 s ASN 26 Ca -0.12 0.94 0.13 0.00 0.42 0.00 0.00 52.86 54.22 1de3 s ASN 26 Cb -0.15 -2.49 0.97 0.00 -1.45 0.00 0.00 41.25 38.12 1de3 s ASN 26 CO 0.02 -0.76 1.94 -0.61 -3.72 0.00 0.00 177.10 173.97 1de3 h GLN 27 N 8.04 0.49 -0.44 0.43 -0.00 -1.49 0.22 115.11 122.35 1de3 h GLN 27 Ca -0.22 -0.03 0.13 0.00 -0.00 0.00 0.00 58.65 58.53 1de3 h GLN 27 Cb 1.07 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 28.43 1de3 h GLN 27 CO 0.97 0.32 0.45 -0.97 0.00 0.00 0.00 178.83 179.61 1de3 h ASN 28 N 0.50 0.00 0.52 -0.69 -0.73 -1.91 0.81 115.58 114.08 1de3 h ASN 28 Ca 0.34 0.00 -0.29 0.00 1.87 0.00 0.00 56.30 58.23 1de3 h ASN 28 Cb 0.65 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.19 1de3 h ASN 28 CO -0.11 0.00 -1.66 0.11 -0.37 0.00 0.00 177.43 175.39 1de3 h LYS 29 N 0.00 0.01 0.00 6.67 1.57 -0.96 -2.95 116.57 120.91 1de3 h LYS 29 Ca 0.21 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1de3 h LYS 29 Cb 1.12 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1de3 h LYS 29 CO -0.00 0.56 -0.00 0.00 -0.57 0.00 0.00 179.45 179.44 1de3 h ALA 30 N 0.96 -0.00 -0.42 3.86 0.00 0.02 0.33 119.26 124.01 1de3 h ALA 30 Ca -0.27 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1de3 h ALA 30 Cb 2.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.77 1de3 h ALA 30 CO 0.08 -0.09 0.27 1.05 0.00 0.00 0.00 179.25 180.56 1de3 h GLU 31 N -0.82 0.56 0.10 0.00 -0.00 0.26 -0.16 114.58 114.51 1de3 h GLU 31 Ca -0.00 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.36 59.19 1de3 h GLU 31 Cb 0.81 -0.12 0.02 0.00 -0.00 0.00 0.00 28.75 29.45 1de3 h GLU 31 CO 0.00 0.38 -0.58 1.03 -0.00 0.00 0.00 179.01 179.85 1de3 h SER 32 N 0.57 0.34 -0.61 3.06 0.87 -1.53 -2.38 113.55 113.88 1de3 h SER 32 Ca 0.15 -0.95 0.11 0.00 -1.23 0.00 0.00 61.79 59.87 1de3 h SER 32 Cb -0.04 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 61.72 1de3 h SER 32 CO -0.03 1.27 0.17 0.78 -0.53 0.00 0.00 176.83 178.49 1de3 h ASN 33 N -0.53 0.09 -0.12 6.23 2.35 0.02 0.14 115.58 123.75 1de3 h ASN 33 Ca -0.10 0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1de3 h ASN 33 Cb 1.44 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.92 1de3 h ASN 33 CO 0.11 0.05 -0.15 0.77 -1.65 0.00 0.00 177.43 176.56 1de3 h SER 34 N 0.31 0.49 -0.06 5.81 4.64 -1.10 -1.07 113.55 122.57 1de3 h SER 34 Ca 0.32 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1de3 h SER 34 Cb 0.46 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1de3 h SER 34 CO -0.38 0.66 0.00 1.41 -0.87 0.00 0.00 176.83 177.66 1de3 n HIS 35 N -4.18 0.08 -0.06 4.77 8.25 0.23 -3.58 115.22 120.73 1de3 n HIS 35 Ca 0.00 -0.04 -0.10 0.00 -0.26 0.00 0.00 57.72 57.32 1de3 n HIS 35 Cb 0.34 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.40 0.00 -1.73 4.41 -0.00 0.25 -5.01 115.22 112.74 1de3 n HIS 36 Ca 0.12 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.45 1de3 n HIS 36 Cb 0.13 -0.43 0.04 0.00 -0.00 0.00 0.00 29.99 29.73 1de3 n HIS 36 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1de3 n ALA 37 N -4.00 1.43 -1.45 1.57 0.00 -0.50 -4.99 120.51 112.57 1de3 n ALA 37 Ca -0.18 0.13 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 1de3 n ALA 37 Cb 0.48 -2.32 0.06 0.00 0.00 0.00 0.00 19.45 17.67 1de3 n ALA 37 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1de3 s PRO 38 N -2.80 2.69 -1.11 0.00 0.04 -1.26 -4.92 135.00 127.64 1de3 s PRO 38 Ca 0.71 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.72 1de3 s PRO 38 Cb -0.43 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.37 1de3 s PRO 38 CO 0.50 -1.30 1.22 -0.51 0.04 0.00 0.00 177.00 176.95 1de3 s LEU 39 N -5.54 5.67 -0.30 -3.56 1.43 -1.26 -4.46 118.68 110.67 1de3 s LEU 39 Ca 0.61 -3.07 -0.12 0.00 -1.03 0.00 0.00 54.13 50.51 1de3 s LEU 39 Cb -0.16 -2.32 0.13 0.00 0.03 0.00 0.00 46.19 43.88 1de3 s LEU 39 CO 0.53 -0.60 0.77 -0.94 0.23 0.00 0.00 176.35 176.33 1de3 s SER 40 N 2.32 -0.93 0.05 2.29 1.04 -1.26 -4.96 113.70 112.25 1de3 s SER 40 Ca 0.35 1.31 -0.31 0.00 0.48 0.00 0.00 55.95 57.78 1de3 s SER 40 Cb -0.06 1.95 -0.06 0.00 0.10 0.00 0.00 66.02 67.95 1de3 s SER 40 CO -0.05 -0.19 1.25 -0.62 0.98 0.00 0.00 173.24 174.62 1de3 s ASP 41 N 2.52 7.01 -0.91 7.02 2.15 -0.84 -4.04 116.67 129.57 1de3 s ASP 41 Ca -0.06 2.05 -0.08 0.00 0.43 0.00 0.00 52.55 54.89 1de3 s ASP 41 Cb -0.09 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.96 1de3 s ASP 41 CO -0.18 -0.54 0.64 0.61 -0.17 0.00 0.00 175.17 175.52 1de3 n GLY 42 N 3.33 -1.20 1.17 2.66 0.00 -1.09 -4.39 105.19 105.66 1de3 n GLY 42 Ca 0.10 0.54 -0.01 0.00 0.00 0.00 0.00 46.02 46.65 1de3 n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1de3 n LYS 43 N -3.12 0.00 -4.16 1.61 4.81 -1.25 -5.00 118.16 111.05 1de3 n LYS 43 Ca -0.24 -1.41 -0.13 0.00 -0.87 0.00 0.00 58.31 55.66 1de3 n LYS 43 Cb 0.65 0.16 -0.08 0.00 0.02 0.00 0.00 35.03 35.78 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 0.02 3.15 2.01 -1.26 -5.02 115.64 114.54 1de3 s THR 44 Ca 0.16 -1.85 -0.08 0.00 0.31 0.00 0.00 61.69 60.23 1de3 s THR 44 Cb 0.18 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1de3 s THR 44 CO -0.08 0.00 1.13 1.23 -0.69 0.00 0.00 174.62 176.21 1de3 h GLY 45 N 2.45 -1.06 1.91 4.40 0.00 -1.45 -0.79 103.07 108.53 1de3 h GLY 45 Ca -0.32 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1de3 h GLY 45 CO 0.46 -0.37 0.00 -1.14 0.00 0.00 0.00 176.54 175.49 1de3 n SER 46 N -3.10 0.00 0.00 0.19 3.41 0.13 -3.92 113.62 110.33 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 0.10 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 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 0.00 -4.85 4.04 2.88 -0.30 -5.04 113.62 108.90 1de3 n SER 47 Ca 0.02 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.22 1de3 n SER 47 Cb 0.07 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.47 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 -2.84 3.48 -0.03 0.66 1.51 -1.26 -2.67 117.35 116.19 1de3 s TYR 48 Ca 0.00 1.15 -0.30 0.00 -1.01 0.00 0.00 57.07 56.91 1de3 s TYR 48 Cb 0.00 -2.46 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1de3 s TYR 48 CO 0.00 0.23 1.06 -1.25 -1.11 0.00 0.00 175.55 174.49 1de3 s PRO 49 N -2.59 4.46 -0.02 -1.71 0.04 -1.26 -4.49 135.00 129.44 1de3 s PRO 49 Ca 0.48 1.52 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 1de3 s PRO 49 Cb -0.12 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 1de3 s PRO 49 CO 0.19 -0.23 0.40 -3.38 0.04 0.00 0.00 177.00 174.02 1de3 s HIS 50 N 1.52 3.69 0.16 0.56 -3.43 -1.23 -2.90 115.29 113.66 1de3 s HIS 50 Ca 0.53 0.95 -0.34 0.00 -0.80 0.00 0.00 55.06 55.40 1de3 s HIS 50 Cb -0.22 -2.30 -0.15 0.00 -1.43 0.00 0.00 32.58 28.48 1de3 s HIS 50 CO 0.24 0.59 1.35 1.87 -2.00 0.00 0.00 174.74 176.79 1de3 n TRP 51 N 2.07 1.74 -3.35 0.38 -0.00 -1.26 -1.97 117.44 115.05 1de3 n TRP 51 Ca -0.14 0.53 -0.46 0.00 -0.00 0.00 0.00 57.50 57.43 1de3 n TRP 51 Cb 0.52 -2.39 -0.03 0.00 -0.00 0.00 0.00 31.31 29.42 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 0.26 3.69 0.35 5.87 5.36 0.20 -4.79 117.98 128.93 1de3 s PHE 52 Ca 0.77 -1.97 0.16 0.00 -0.96 0.00 0.00 56.93 54.92 1de3 s PHE 52 Cb -0.80 -3.78 1.19 0.00 -0.34 0.00 0.00 43.02 39.29 1de3 s PHE 52 CO 0.47 -0.98 1.58 1.79 -1.46 0.00 0.00 175.22 176.62 1de3 h THR 53 N 4.92 0.02 -2.22 0.12 1.35 -1.85 -3.41 112.91 111.83 1de3 h THR 53 Ca 0.06 -0.01 -0.27 0.00 -0.55 0.00 0.00 66.41 65.64 1de3 h THR 53 Cb 1.04 -0.00 -0.07 0.00 -1.73 0.00 0.00 68.15 67.39 1de3 h THR 53 CO 0.78 0.00 -0.28 -3.20 -0.25 0.00 0.00 175.52 172.57 1de3 n ASN 54 N -5.31 -3.77 0.00 5.36 5.15 -1.26 -0.20 115.26 115.23 1de3 n ASN 54 Ca 0.34 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.59 1de3 n ASN 54 Cb 1.14 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 37.01 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 -0.46 3.14 3.36 8.20 0.00 -1.26 -3.49 105.19 114.67 1de3 n GLY 55 Ca -0.14 -0.99 -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 -1.72 0.00 0.00 0.00 173.32 171.60 1de3 n TYR 56 N 0.00 -1.77 -0.05 1.61 4.02 0.72 -4.02 117.16 117.68 1de3 n TYR 56 Ca 0.00 0.48 -0.15 0.00 -0.01 0.00 0.00 57.90 58.22 1de3 n TYR 56 Cb 0.00 -1.82 -0.13 0.00 -0.02 0.00 0.00 39.34 37.37 1de3 n TYR 56 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 176.86 176.23 1de3 h ASP 57 N 0.18 0.08 0.00 7.72 2.03 -1.32 -3.44 116.42 121.67 1de3 h ASP 57 Ca -0.42 -0.96 0.00 0.00 -0.73 0.00 0.00 57.03 54.92 1de3 h ASP 57 Cb 1.43 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1de3 h ASP 57 CO 0.45 1.04 0.00 0.61 -1.03 0.00 0.00 179.24 180.31 1de3 n GLY 58 N 1.53 0.00 1.18 7.15 0.00 -1.26 -5.03 105.19 108.76 1de3 n GLY 58 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1de3 n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1de3 n ASP 59 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -4.52 116.55 112.30 1de3 n ASP 59 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1de3 n ASP 59 Cb 0.00 0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.70 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1de3 n GLY 60 N -0.89 0.39 3.80 0.27 0.00 -1.26 -4.40 105.19 103.09 1de3 n GLY 60 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1de3 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1de3 s LYS 61 N 0.00 4.36 0.07 1.61 -0.14 -1.26 -4.88 119.74 119.50 1de3 s LYS 61 Ca 0.00 0.92 -0.10 0.00 -1.36 0.00 0.00 55.97 55.44 1de3 s LYS 61 Cb 0.00 -3.25 -0.06 0.00 -1.68 0.00 0.00 37.83 32.84 1de3 s LYS 61 CO 0.00 0.61 0.39 -0.51 -0.76 0.00 0.00 175.35 175.08 1de3 s LEU 62 N -1.12 4.36 0.00 3.17 1.02 -1.26 -0.92 118.68 123.93 1de3 s LEU 62 Ca 0.32 0.78 0.00 0.00 0.02 0.00 0.00 54.13 55.24 1de3 s LEU 62 Cb -0.21 -2.93 0.00 0.00 0.02 0.00 0.00 46.19 43.07 1de3 s LEU 62 CO 0.22 0.19 0.00 -0.81 0.02 0.00 0.00 176.35 175.97 1de3 n PRO 63 N 0.98 0.61 -0.95 1.29 -0.04 -1.26 -4.81 135.00 130.82 1de3 n PRO 63 Ca -0.09 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.08 1de3 n PRO 63 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1de3 n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1de3 n LYS 64 N -0.29 2.22 0.00 0.54 3.00 -1.26 -3.31 118.16 119.07 1de3 n LYS 64 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 58.31 56.61 1de3 n LYS 64 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 35.03 32.39 1de3 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1de3 n GLY 65 N 3.91 -0.30 3.55 3.14 0.00 -1.26 -5.10 105.19 109.13 1de3 n GLY 65 Ca 0.50 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 46.29 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 2.26 -0.39 1.61 3.00 -1.21 -4.79 118.95 119.43 1de3 s ARG 66 Ca 0.00 0.99 0.11 0.00 -1.00 0.00 0.00 55.73 55.83 1de3 s ARG 66 Cb 0.00 -4.55 0.36 0.00 0.00 0.00 0.00 34.95 30.76 1de3 s ARG 66 CO 0.00 -3.19 0.89 -2.37 0.00 0.00 0.00 175.30 170.63 1de3 n THR 67 N 7.78 0.05 -2.35 4.11 5.66 -1.26 -5.12 114.28 123.15 1de3 n THR 67 Ca 0.32 -3.47 -0.42 0.00 -3.05 0.00 0.00 64.05 57.42 1de3 n THR 67 Cb 0.53 0.36 -0.03 0.00 -1.55 0.00 0.00 70.33 69.64 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 -1.75 4.31 -0.26 1.09 0.04 -1.23 -4.74 135.00 132.46 1de3 s PRO 68 Ca 0.33 1.81 -0.36 0.00 0.04 0.00 0.00 61.00 62.82 1de3 s PRO 68 Cb 0.35 -3.59 -0.12 0.00 0.04 0.00 0.00 34.50 31.18 1de3 s PRO 68 CO -0.06 -0.53 2.01 -0.89 0.04 0.00 0.00 177.00 177.57 1de3 n ILE 69 N 4.73 0.33 -2.95 0.56 5.41 -1.26 -4.91 119.36 121.27 1de3 n ILE 69 Ca 0.12 -0.18 -0.41 0.00 1.00 0.00 0.00 62.75 63.29 1de3 n ILE 69 Cb 0.45 -1.66 -0.04 0.00 -0.71 0.00 0.00 39.64 37.68 1de3 n ILE 69 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1de3 s LYS 70 N 5.04 4.37 -0.18 0.38 2.20 -1.26 -4.93 119.74 125.36 1de3 s LYS 70 Ca 1.02 0.97 0.05 0.00 -0.36 0.00 0.00 55.97 57.65 1de3 s LYS 70 Cb -0.84 -3.51 -0.14 0.00 -1.51 0.00 0.00 37.83 31.83 1de3 s LYS 70 CO 0.53 -0.14 -0.11 1.19 -0.36 0.00 0.00 175.35 176.47 1de3 n PHE 71 N 4.51 0.00 0.00 4.03 3.72 -1.26 -5.02 117.46 123.43 1de3 n PHE 71 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 1de3 n PHE 71 Cb 0.50 -0.73 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 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 2.45 1.45 3.85 1.37 0.00 -1.26 -5.07 105.19 107.97 1de3 n GLY 72 Ca -0.31 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.17 3.06 0.09 1.61 -0.14 -1.26 -5.03 119.74 117.90 1de3 s LYS 73 Ca 0.00 -0.87 0.18 0.00 -1.36 0.00 0.00 55.97 53.92 1de3 s LYS 73 Cb 0.00 -2.70 -0.11 0.00 -1.68 0.00 0.00 37.83 33.34 1de3 s LYS 73 CO 0.00 0.46 0.87 0.45 -0.76 0.00 0.00 175.35 176.37 1de3 n SER 74 N -0.77 0.87 0.03 2.83 2.88 -1.26 -2.65 113.62 115.55 1de3 n SER 74 Ca -0.08 0.37 -0.18 0.00 -1.33 0.00 0.00 58.87 57.65 1de3 n SER 74 Cb 0.56 0.20 -0.14 0.00 -0.75 0.00 0.00 64.21 64.08 1de3 n SER 74 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1de3 h ASP 75 N 0.00 0.38 0.44 -3.46 3.32 -1.95 -1.76 116.42 113.38 1de3 h ASP 75 Ca -0.13 -0.65 -0.12 0.00 0.02 0.00 0.00 57.03 56.15 1de3 h ASP 75 Cb 1.47 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 1de3 h ASP 75 CO 0.04 1.56 -0.54 0.00 -1.72 0.00 0.00 179.24 178.58 1de3 h ASP 77 N 0.08 0.00 -4.16 0.00 3.58 -1.61 -3.48 116.42 110.84 1de3 h ASP 77 Ca -0.00 -0.05 -0.53 0.00 0.42 0.00 0.00 57.03 56.87 1de3 h ASP 77 Cb 0.98 0.00 0.19 0.00 1.72 0.00 0.00 39.33 42.22 1de3 h ASP 77 CO 0.08 0.02 0.22 0.54 -2.88 0.00 0.00 179.24 177.22 1de3 n ARG 78 N -2.63 -0.13 -2.16 0.28 1.74 -0.66 -4.93 116.66 108.17 1de3 n ARG 78 Ca 0.03 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.72 1de3 n ARG 78 Cb 0.50 -2.37 -0.02 0.00 -1.02 0.00 0.00 32.46 29.55 1de3 n ARG 78 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1de3 s PRO 79 N -4.29 3.77 -0.81 5.56 0.04 -1.26 -4.94 135.00 133.08 1de3 s PRO 79 Ca 0.70 1.56 -0.25 0.00 0.04 0.00 0.00 61.00 63.04 1de3 s PRO 79 Cb -0.26 -4.02 -0.01 0.00 0.04 0.00 0.00 34.50 30.24 1de3 s PRO 79 CO 0.55 -1.32 1.74 -1.25 0.04 0.00 0.00 177.00 176.77 1de3 s PRO 80 N 4.68 2.84 -1.05 0.56 0.04 -1.26 -4.84 135.00 135.96 1de3 s PRO 80 Ca 0.69 -0.14 -0.21 0.00 0.04 0.00 0.00 61.00 61.39 1de3 s PRO 80 Cb -0.23 -4.77 -0.08 0.00 0.04 0.00 0.00 34.50 29.45 1de3 s PRO 80 CO 0.29 -2.80 1.95 1.17 0.04 0.00 0.00 177.00 177.64 1de3 n LYS 81 N 9.04 1.93 -2.79 4.56 3.00 -1.25 -4.25 118.16 128.40 1de3 n LYS 81 Ca 0.27 -2.31 -0.42 0.00 -0.00 0.00 0.00 58.31 55.86 1de3 n LYS 81 Cb 0.50 -3.28 -0.03 0.00 0.00 0.00 0.00 35.03 32.21 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1de3 s HIS 82 N 6.43 3.51 0.00 5.64 5.65 -1.26 -3.91 115.29 131.35 1de3 s HIS 82 Ca 0.59 1.47 0.00 0.00 0.25 0.00 0.00 55.06 57.37 1de3 s HIS 82 Cb 0.09 -3.09 0.00 0.00 -1.18 0.00 0.00 32.58 28.40 1de3 s HIS 82 CO 0.09 -0.17 0.00 0.45 -0.65 0.00 0.00 174.74 174.46 1de3 n SER 83 N 4.82 0.00 0.19 9.88 2.88 -1.26 -4.62 113.62 125.51 1de3 n SER 83 Ca 0.06 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.47 1de3 n SER 83 Cb 0.49 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 1de3 n SER 83 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1de3 h LYS 84 N 0.00 -0.50 -0.49 -1.46 6.56 -1.97 -3.29 116.57 115.42 1de3 h LYS 84 Ca 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1de3 h LYS 84 Cb 0.00 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.77 1de3 h LYS 84 CO 0.00 -0.19 0.00 -0.40 -2.06 0.00 0.00 179.45 176.80 1de3 n ASP 85 N -5.17 4.44 -3.72 0.86 5.75 -1.26 -4.97 116.55 112.48 1de3 n ASP 85 Ca -0.10 -2.63 -0.23 0.00 -0.01 0.00 0.00 54.79 51.83 1de3 n ASP 85 Cb 0.28 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de3 n GLY 86 N 0.50 -1.27 1.16 6.12 0.00 -1.24 -3.35 105.19 107.11 1de3 n GLY 86 Ca 0.23 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -2.50 0.00 0.00 1.61 0.23 -1.26 -1.99 115.26 111.35 1de3 n ASN 87 Ca -0.27 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.78 1de3 n ASN 87 Cb 0.66 0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.44 1de3 n ASN 87 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1de3 n GLY 88 N 0.66 0.80 0.12 4.83 0.00 -1.26 -3.07 105.19 107.28 1de3 n GLY 88 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1de3 n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1de3 n LYS 89 N 5.66 0.66 -1.12 1.61 3.00 -1.26 -4.67 118.16 122.03 1de3 n LYS 89 Ca 0.00 0.11 0.03 0.00 -0.00 0.00 0.00 58.31 58.45 1de3 n LYS 89 Cb 0.00 -1.52 0.02 0.00 0.00 0.00 0.00 35.03 33.53 1de3 n LYS 89 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1de3 n THR 90 N -3.15 0.11 -1.37 3.15 -2.24 -1.26 -5.11 114.28 104.41 1de3 n THR 90 Ca -0.43 -0.78 -0.44 0.00 -2.27 0.00 0.00 64.05 60.13 1de3 n THR 90 Cb 1.03 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 70.02 1de3 n THR 90 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1de3 n ASP 91 N 0.25 -1.81 -2.99 3.42 9.92 -1.18 -4.93 116.55 119.24 1de3 n ASP 91 Ca 0.05 0.95 -0.14 0.00 -0.53 0.00 0.00 54.79 55.11 1de3 n ASP 91 Cb 0.98 -0.96 0.01 0.00 -0.64 0.00 0.00 41.12 40.51 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 -0.61 -0.44 -2.79 1.24 1.44 -1.25 -4.22 115.22 108.58 1de3 n HIS 92 Ca 0.13 -3.22 -0.23 0.00 -2.01 0.00 0.00 57.72 52.40 1de3 n HIS 92 Cb 0.35 0.12 0.02 0.00 0.12 0.00 0.00 29.99 30.60 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 -1.84 3.11 -0.32 -1.40 1.13 -1.26 -3.75 117.35 113.02 1de3 s TYR 93 Ca 0.33 0.22 -0.18 0.00 -1.41 0.00 0.00 57.07 56.03 1de3 s TYR 93 Cb 0.36 -2.52 -0.01 0.00 -1.10 0.00 0.00 41.96 38.69 1de3 s TYR 93 CO -0.06 -0.59 0.51 -0.51 -2.51 0.00 0.00 175.55 172.39 1de3 s LEU 94 N -4.69 4.24 0.22 -3.49 1.43 -1.26 -3.39 118.68 111.74 1de3 s LEU 94 Ca 0.52 0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 1de3 s LEU 94 Cb -0.10 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 1de3 s LEU 94 CO 0.39 -0.42 0.32 -0.76 0.23 0.00 0.00 176.35 176.12 1de3 s LEU 95 N 2.37 4.27 -0.19 1.79 1.02 -0.41 0.63 118.68 128.15 1de3 s LEU 95 Ca 0.19 0.06 -0.04 0.00 0.02 0.00 0.00 54.13 54.37 1de3 s LEU 95 Cb -0.15 -2.82 0.06 0.00 0.02 0.00 0.00 46.19 43.30 1de3 s LEU 95 CO 0.12 -0.04 0.07 -1.83 0.02 0.00 0.00 176.35 174.69 1de3 s GLU 96 N -3.77 0.36 0.03 1.70 -1.05 -0.83 -2.68 118.70 112.46 1de3 s GLU 96 Ca 0.34 -0.30 -0.13 0.00 -0.15 0.00 0.00 54.97 54.73 1de3 s GLU 96 Cb -0.09 -1.92 -0.06 0.00 -0.44 0.00 0.00 34.13 31.62 1de3 s GLU 96 CO 0.28 -0.69 0.40 0.12 0.95 0.00 0.00 175.26 176.33 1de3 s PHE 97 N 1.99 3.67 -1.23 4.83 5.36 -0.25 -3.83 117.98 128.52 1de3 s PHE 97 Ca 0.01 0.91 -0.21 0.00 -0.96 0.00 0.00 56.93 56.68 1de3 s PHE 97 Cb -0.17 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.24 1de3 s PHE 97 CO -0.11 0.59 1.87 -1.25 -1.46 0.00 0.00 175.22 174.86 1de3 s PRO 98 N -1.42 2.98 0.17 10.12 0.04 -1.26 -0.75 135.00 144.87 1de3 s PRO 98 Ca 0.28 -1.45 -0.30 0.00 0.04 0.00 0.00 61.00 59.56 1de3 s PRO 98 Cb -0.15 -5.34 -0.08 0.00 0.04 0.00 0.00 34.50 28.97 1de3 s PRO 98 CO 0.15 -3.43 1.18 -0.08 0.04 0.00 0.00 177.00 174.86 1de3 s THR 99 N 8.82 3.68 0.12 1.26 -1.32 -1.15 -4.78 115.64 122.27 1de3 s THR 99 Ca 0.64 1.39 0.04 0.00 -1.21 0.00 0.00 61.69 62.55 1de3 s THR 99 Cb 0.01 -3.89 -0.04 0.00 -1.51 0.00 0.00 72.50 67.07 1de3 s THR 99 CO 0.12 0.21 0.08 -0.36 -2.21 0.00 0.00 174.62 172.46 1de3 s PHE 100 N 0.07 3.11 0.06 9.09 0.40 -1.26 -4.47 117.98 124.98 1de3 s PHE 100 Ca 0.53 0.01 -0.16 0.00 -0.60 0.00 0.00 56.93 56.71 1de3 s PHE 100 Cb -0.32 -1.55 -0.19 0.00 0.51 0.00 0.00 43.02 41.48 1de3 s PHE 100 CO 0.35 0.51 1.23 -1.00 0.70 0.00 0.00 175.22 177.02 1de3 h PRO 101 N 2.93 0.64 -1.28 0.24 0.13 -1.93 -3.16 132.00 129.57 1de3 h PRO 101 Ca -0.47 -0.56 0.37 0.00 -0.87 0.00 0.00 66.00 64.46 1de3 h PRO 101 Cb 1.18 0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1de3 h PRO 101 CO 0.63 1.18 0.91 0.22 -0.23 0.00 0.00 178.00 180.71 1de3 h ASP 102 N 0.29 0.07 0.00 1.44 3.58 -1.97 -3.43 116.42 116.40 1de3 h ASP 102 Ca -0.06 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1de3 h ASP 102 Cb 1.35 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.41 1de3 h ASP 102 CO 0.14 -0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.11 1de3 n GLY 103 N -1.74 0.72 3.90 -0.78 0.00 -1.19 -5.07 105.19 101.03 1de3 n GLY 103 Ca 0.29 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 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 3.56 -1.11 1.61 -3.43 -1.26 -4.97 115.29 107.68 1de3 s HIS 104 Ca 0.00 0.85 -0.08 0.00 -0.80 0.00 0.00 55.06 55.03 1de3 s HIS 104 Cb 0.00 -2.33 0.28 0.00 -1.43 0.00 0.00 32.58 29.10 1de3 s HIS 104 CO 0.00 -0.28 1.16 -0.40 -2.00 0.00 0.00 174.74 173.22 1de3 n ASP 105 N -2.18 5.63 -3.16 7.38 5.68 -1.26 -4.45 116.55 124.18 1de3 n ASP 105 Ca 0.01 -3.08 -0.38 0.00 -0.50 0.00 0.00 54.79 50.84 1de3 n ASP 105 Cb 0.55 -1.37 -0.04 0.00 -1.14 0.00 0.00 41.12 39.13 1de3 n ASP 105 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1de3 n TYR 106 N 2.52 -0.01 -1.83 2.11 9.36 -1.26 -4.69 117.16 123.37 1de3 n TYR 106 Ca 0.24 0.72 -0.21 0.00 3.32 0.00 0.00 57.90 61.97 1de3 n TYR 106 Cb 0.38 -1.44 -0.08 0.00 -0.63 0.00 0.00 39.34 37.57 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 -0.41 1.85 0.18 2.98 0.00 -1.26 -4.65 119.74 118.42 1de3 s LYS 107 Ca 0.54 -0.67 0.26 0.00 0.00 0.00 0.00 55.97 56.10 1de3 s LYS 107 Cb -0.77 -5.08 0.89 0.00 0.00 0.00 0.00 37.83 32.88 1de3 s LYS 107 CO 0.40 -4.66 1.79 1.97 0.00 0.00 0.00 175.35 174.85 1de3 n PHE 108 N 17.02 0.75 0.72 1.78 -1.74 -1.26 -2.51 117.46 132.23 1de3 n PHE 108 Ca 0.43 0.23 0.12 0.00 -0.56 0.00 0.00 57.45 57.67 1de3 n PHE 108 Cb 0.46 -0.87 0.23 0.00 1.52 0.00 0.00 39.48 40.82 1de3 n PHE 108 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1de3 n ASP 109 N -2.12 0.60 -4.49 5.98 2.03 -1.26 0.17 116.55 117.45 1de3 n ASP 109 Ca 0.05 0.05 -0.43 0.00 0.52 0.00 0.00 54.79 54.98 1de3 n ASP 109 Cb 0.39 0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1de3 s SER 110 N -3.79 6.41 0.04 1.67 0.15 -1.04 -3.12 113.70 114.02 1de3 s SER 110 Ca 0.08 -1.41 -0.22 0.00 0.70 0.00 0.00 55.95 55.10 1de3 s SER 110 Cb 0.15 -2.47 -0.12 0.00 -1.71 0.00 0.00 66.02 61.87 1de3 s SER 110 CO 0.70 -1.38 1.34 0.50 1.20 0.00 0.00 173.24 175.60 1de3 h LYS 111 N 9.43 -0.75 -3.72 5.44 3.11 -1.87 -3.21 116.57 125.00 1de3 h LYS 111 Ca -0.01 0.05 -0.43 0.00 -2.81 0.00 0.00 60.65 57.45 1de3 h LYS 111 Cb 1.04 0.17 -0.38 0.00 -1.00 0.00 0.00 32.23 32.06 1de3 h LYS 111 CO 1.23 -0.50 -0.77 -1.59 -2.81 0.00 0.00 179.45 175.01 1de3 s LYS 112 N -4.76 0.61 0.92 1.90 -2.85 -1.26 -3.71 119.74 110.58 1de3 s LYS 112 Ca -0.12 0.10 -0.16 0.00 -1.00 0.00 0.00 55.97 54.80 1de3 s LYS 112 Cb 0.01 -0.95 0.22 0.00 -2.06 0.00 0.00 37.83 35.05 1de3 s LYS 112 CO 0.36 -0.29 1.07 -0.35 0.10 0.00 0.00 175.35 176.24 1de3 n PRO 113 N 5.06 -1.73 -3.22 1.78 -0.04 -1.26 -5.18 135.00 130.41 1de3 n PRO 113 Ca -0.09 -1.67 0.03 0.00 -0.04 0.00 0.00 63.50 61.73 1de3 n PRO 113 Cb 0.50 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.69 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 -5.37 0.57 0.60 0.54 2.20 -1.24 -4.74 119.74 112.29 1de3 s LYS 114 Ca 0.63 1.06 -0.19 0.00 -0.36 0.00 0.00 55.97 57.12 1de3 s LYS 114 Cb -0.03 0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 36.85 1de3 s LYS 114 CO 0.46 -0.56 1.22 -2.00 -0.36 0.00 0.00 175.35 174.11 1de3 s GLU 115 N 2.87 2.94 0.28 4.03 2.12 -1.26 -4.97 118.70 124.70 1de3 s GLU 115 Ca 0.17 1.85 -0.29 0.00 0.36 0.00 0.00 54.97 57.07 1de3 s GLU 115 Cb -0.15 -1.92 -0.14 0.00 0.26 0.00 0.00 34.13 32.18 1de3 s GLU 115 CO -0.21 -1.24 1.05 -1.71 -0.54 0.00 0.00 175.26 172.61 1de3 n ASN 116 N -1.61 1.40 -2.75 -1.70 2.85 -1.26 -4.99 115.26 107.20 1de3 n ASN 116 Ca 0.14 1.18 0.00 0.00 -0.11 0.00 0.00 54.58 55.78 1de3 n ASN 116 Cb 0.49 -1.29 0.00 0.00 1.24 0.00 0.00 39.78 40.22 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 0.87 -0.36 -4.08 1.20 -0.04 -1.26 -5.09 135.00 126.25 1de3 n PRO 117 Ca 0.10 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1de3 n PRO 117 Cb 0.31 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.73 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 -2.09 1.47 0.10 0.55 0.00 -1.26 -5.05 107.32 101.04 1de3 s GLY 118 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 44.72 43.13 1de3 s GLY 118 CO 0.00 -1.49 1.33 -0.56 0.00 0.00 0.00 173.10 172.39 1de3 h PRO 119 N 1.47 0.80 -5.96 2.90 0.13 -1.87 -3.44 132.00 126.02 1de3 h PRO 119 Ca -0.48 -0.59 -0.58 0.00 -0.87 0.00 0.00 66.00 63.48 1de3 h PRO 119 Cb 1.24 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 1de3 h PRO 119 CO 0.60 1.21 -0.11 0.00 -0.23 0.00 0.00 178.00 179.47 1de3 s ALA 120 N -3.89 3.55 -0.01 -0.56 0.00 -1.26 -2.96 121.76 116.63 1de3 s ALA 120 Ca -0.11 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1de3 s ALA 120 Cb 0.09 -2.60 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 1de3 s ALA 120 CO 0.89 0.22 -0.06 1.03 0.00 0.00 0.00 175.76 177.84 1de3 s ARG 121 N -0.26 0.52 0.04 0.00 0.52 0.22 -2.92 118.95 117.07 1de3 s ARG 121 Ca 0.27 -0.22 -0.26 0.00 -0.52 0.00 0.00 55.73 55.01 1de3 s ARG 121 Cb -0.17 -0.51 -0.05 0.00 0.52 0.00 0.00 34.95 34.74 1de3 s ARG 121 CO 0.14 0.12 0.81 0.54 0.02 0.00 0.00 175.30 176.93 1de3 s VAL 122 N -0.09 4.75 0.05 3.52 0.11 0.07 0.20 120.40 129.00 1de3 s VAL 122 Ca 0.02 1.71 0.06 0.00 -2.93 0.00 0.00 61.98 60.84 1de3 s VAL 122 Cb -0.03 -4.16 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 1de3 s VAL 122 CO -0.00 0.33 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.35 1de3 s ILE 123 N 0.15 3.31 -0.28 7.04 -1.09 0.19 -1.09 121.20 129.42 1de3 s ILE 123 Ca 0.41 -1.07 -0.26 0.00 -2.23 0.00 0.00 60.65 57.50 1de3 s ILE 123 Cb -0.21 -2.47 0.18 0.00 -1.58 0.00 0.00 42.46 38.39 1de3 s ILE 123 CO 0.24 0.28 1.35 -0.72 -1.23 0.00 0.00 174.94 174.86 1de3 s TYR 124 N -1.05 -0.11 0.00 3.97 1.13 -1.09 -1.30 117.35 118.89 1de3 s TYR 124 Ca 0.18 0.25 0.00 0.00 -1.41 0.00 0.00 57.07 56.09 1de3 s TYR 124 Cb -0.11 0.47 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 1de3 s TYR 124 CO 0.09 -0.07 0.00 0.25 -2.51 0.00 0.00 175.55 173.31 1de3 n THR 125 N 1.29 0.00 -3.63 -3.49 -2.24 -1.24 -1.29 114.28 103.69 1de3 n THR 125 Ca -0.08 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1de3 n THR 125 Cb 0.57 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 67.44 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 0.00 -0.29 -1.34 4.78 5.04 -1.22 -2.60 117.35 121.72 1de3 s TYR 126 Ca 0.00 0.63 0.22 0.00 -2.44 0.00 0.00 57.07 55.48 1de3 s TYR 126 Cb 0.00 0.43 1.08 0.00 0.35 0.00 0.00 41.96 43.82 1de3 s TYR 126 CO 0.00 -0.18 1.71 -0.35 -1.34 0.00 0.00 175.55 175.39 1de3 n PRO 127 N 1.45 0.25 -0.29 4.97 -0.04 -1.26 -4.17 135.00 135.92 1de3 n PRO 127 Ca -0.10 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1de3 n PRO 127 Cb 0.57 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.13 -4.52 3.54 -0.73 -1.96 -3.45 115.58 108.34 1de3 h ASN 128 Ca 0.00 0.20 -0.40 0.00 1.87 0.00 0.00 56.30 57.97 1de3 h ASN 128 Cb 0.24 0.30 0.03 0.00 0.27 0.00 0.00 38.32 39.16 1de3 h ASN 128 CO 0.00 -0.17 -0.58 0.29 -0.37 0.00 0.00 177.43 176.60 1de3 n LYS 129 N -5.27 -4.29 -1.81 6.67 5.02 -1.07 -4.85 118.16 112.56 1de3 n LYS 129 Ca 0.19 0.83 -0.20 0.00 -2.02 0.00 0.00 58.31 57.11 1de3 n LYS 129 Cb 0.62 -5.64 -0.06 0.00 -0.02 0.00 0.00 35.03 29.93 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 -3.10 3.23 -0.58 -0.18 1.01 -1.26 -4.62 120.40 114.90 1de3 s VAL 130 Ca 0.29 -0.22 -0.41 0.00 0.00 0.00 0.00 61.98 61.64 1de3 s VAL 130 Cb -0.13 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.46 1de3 s VAL 130 CO 0.35 -0.48 2.24 0.33 0.00 0.00 0.00 175.10 177.54 1de3 n PHE 131 N 16.48 1.08 -0.06 5.22 7.35 -1.26 -3.64 117.46 142.63 1de3 n PHE 131 Ca 0.44 0.68 -0.03 0.00 -0.76 0.00 0.00 57.45 57.78 1de3 n PHE 131 Cb 0.45 -2.32 -0.02 0.00 0.35 0.00 0.00 39.48 37.95 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 -1.65 3.53 0.00 0.00 -1.16 -4.99 105.19 102.63 1de3 n GLY 133 Ca -0.03 -1.09 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 1de3 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1de3 s ILE 134 N -2.14 4.31 -0.05 -0.61 1.09 -1.26 0.53 121.20 123.08 1de3 s ILE 134 Ca 0.00 -0.20 0.04 0.00 -1.10 0.00 0.00 60.65 59.40 1de3 s ILE 134 Cb 0.00 -2.95 -0.02 0.00 -1.06 0.00 0.00 42.46 38.43 1de3 s ILE 134 CO 0.00 0.44 -0.17 0.27 -0.10 0.00 0.00 174.94 175.38 1de3 s ILE 135 N 0.74 2.84 0.14 2.92 -4.36 0.13 -0.44 121.20 123.17 1de3 s ILE 135 Ca 0.01 -0.80 0.00 0.00 -0.26 0.00 0.00 60.65 59.60 1de3 s ILE 135 Cb -0.14 -2.09 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 1de3 s ILE 135 CO 0.02 0.59 0.03 0.00 0.24 0.00 0.00 174.94 175.81 1de3 s ALA 136 N -0.66 1.00 -0.12 2.27 0.00 -0.94 0.73 121.76 124.03 1de3 s ALA 136 Ca 0.10 -1.48 -0.20 0.00 0.00 0.00 0.00 51.96 50.38 1de3 s ALA 136 Cb -0.11 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1de3 s ALA 136 CO 0.00 -0.41 0.54 -1.01 0.00 0.00 0.00 175.76 174.89 1de3 s HIS 137 N -3.89 3.50 -0.15 0.00 3.76 -1.16 0.68 115.29 118.04 1de3 s HIS 137 Ca 0.22 0.96 -0.02 0.00 -0.15 0.00 0.00 55.06 56.07 1de3 s HIS 137 Cb 0.07 -2.64 0.04 0.00 1.11 0.00 0.00 32.58 31.16 1de3 s HIS 137 CO 0.01 0.10 2.32 0.25 -0.85 0.00 0.00 174.74 176.57 1de3 n THR 138 N 3.87 2.54 -2.66 1.30 -2.24 -1.25 -4.02 114.28 111.82 1de3 n THR 138 Ca -0.05 -1.29 -0.04 0.00 -2.27 0.00 0.00 64.05 60.40 1de3 n THR 138 Cb 0.51 -1.53 0.07 0.00 -2.10 0.00 0.00 70.33 67.28 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 1.19 0.10 0.00 -0.78 3.00 -1.24 -4.18 118.16 116.25 1de3 n LYS 139 Ca 0.21 -0.69 0.00 0.00 -0.00 0.00 0.00 58.31 57.84 1de3 n LYS 139 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1de3 n LYS 139 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1de3 n GLU 140 N 1.79 0.00 -1.51 1.64 -0.58 0.16 -1.66 120.64 120.49 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 0.69 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.55 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 3.98 -0.47 -3.75 1.62 4.13 -1.26 -4.68 115.26 114.83 1de3 n ASN 141 Ca 0.00 -2.04 -0.10 0.00 1.68 0.00 0.00 54.58 54.13 1de3 n ASN 141 Cb 0.00 0.18 -0.06 0.00 -1.54 0.00 0.00 39.78 38.36 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 1de3 s GLN 142 N -0.23 1.03 0.00 3.52 0.74 -0.66 -4.98 119.66 119.08 1de3 s GLN 142 Ca 0.11 -0.85 0.00 0.00 0.05 0.00 0.00 55.36 54.66 1de3 s GLN 142 Cb 0.18 0.42 0.00 0.00 1.10 0.00 0.00 33.01 34.71 1de3 s GLN 142 CO -0.06 -0.38 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 1de3 n GLY 143 N -0.18 -0.74 3.55 2.59 0.00 -1.26 -3.71 105.19 105.43 1de3 n GLY 143 Ca -0.14 -1.64 -0.63 0.00 0.00 0.00 0.00 46.02 43.60 1de3 n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1de3 n GLU 144 N -0.56 0.00 -2.25 1.61 1.02 -1.26 -4.61 120.64 114.59 1de3 n GLU 144 Ca 0.00 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1de3 n GLU 144 Cb 0.00 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 29.95 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1de3 s LEU 145 N 2.21 4.26 -0.32 -4.62 1.02 -1.26 -3.87 118.68 116.10 1de3 s LEU 145 Ca 0.98 1.96 -0.20 0.00 0.02 0.00 0.00 54.13 56.89 1de3 s LEU 145 Cb -1.39 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.27 1de3 s LEU 145 CO 0.73 -0.80 0.59 -0.75 0.02 0.00 0.00 176.35 176.14 1de3 s LYS 146 N 3.45 3.82 -0.65 1.70 2.20 0.22 -4.81 119.74 125.67 1de3 s LYS 146 Ca 0.63 0.15 -0.28 0.00 -0.36 0.00 0.00 55.97 56.12 1de3 s LYS 146 Cb -0.27 -3.75 -0.12 0.00 -1.51 0.00 0.00 37.83 32.18 1de3 s LYS 146 CO 0.22 -0.59 2.50 -0.11 -0.36 0.00 0.00 175.35 177.01 1de3 n LEU 147 N 5.84 1.69 -4.33 5.43 7.94 -1.26 -2.23 117.00 130.08 1de3 n LEU 147 Ca -0.02 -0.29 -0.34 0.00 -1.11 0.00 0.00 56.01 54.24 1de3 n LEU 147 Cb 0.49 -1.38 0.09 0.00 0.53 0.00 0.00 43.42 43.15 1de3 n LEU 147 CO 0.46 -1.31 -0.35 0.00 -1.11 0.00 0.00 177.39 175.08 1de3 s SER 149 N -1.67 1.70 0.00 0.00 0.01 -1.19 -4.72 113.70 107.81 1de3 s SER 149 Ca 0.55 -0.32 0.10 0.00 1.31 0.00 0.00 55.95 57.59 1de3 s SER 149 Cb -0.24 -0.16 0.08 0.00 0.21 0.00 0.00 66.02 65.91 1de3 s SER 149 CO 0.69 0.14 0.82 0.00 0.41 0.00 0.00 173.24 175.30