#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 0.00 -3.77 0.00 0.31 -1.26 -4.31 118.33 109.31 1de3 n VAL 2 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1de3 n VAL 2 Cb 0.00 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.82 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 -3.04 3.46 -0.55 2.52 2.01 -1.26 -2.09 115.64 116.70 1de3 s THR 3 Ca 0.00 -2.93 -0.28 0.00 0.31 0.00 0.00 61.69 58.79 1de3 s THR 3 Cb 0.00 -3.29 0.03 0.00 0.01 0.00 0.00 72.50 69.25 1de3 s THR 3 CO 0.00 -0.84 1.18 0.26 -0.69 0.00 0.00 174.62 174.52 1de3 s TRP 4 N 0.03 2.67 -0.05 4.92 0.52 0.92 -4.00 118.94 123.95 1de3 s TRP 4 Ca 0.16 0.51 0.02 0.00 0.02 0.00 0.00 56.10 56.80 1de3 s TRP 4 Cb -0.21 -4.50 -0.03 0.00 -1.15 0.00 0.00 33.47 27.58 1de3 s TRP 4 CO -0.03 -1.49 -0.07 0.99 0.02 0.00 0.00 176.95 176.37 1de3 s THR 5 N 4.80 3.67 0.04 2.01 2.01 -1.10 -0.05 115.64 127.02 1de3 s THR 5 Ca 0.45 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 61.93 1de3 s THR 5 Cb -0.07 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 1de3 s THR 5 CO 0.28 0.54 -0.16 0.00 -0.69 0.00 0.00 174.62 174.58 1de3 s LEU 7 N -1.11 5.84 0.40 0.00 1.43 -1.26 0.23 118.68 124.21 1de3 s LEU 7 Ca 0.04 -3.38 -0.03 0.00 -1.03 0.00 0.00 54.13 49.73 1de3 s LEU 7 Cb -0.08 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1de3 s LEU 7 CO 0.01 -0.30 0.66 0.20 0.23 0.00 0.00 176.35 177.16 1de3 s ASN 8 N 0.67 6.30 0.02 2.29 -0.87 -1.10 -4.63 114.94 117.63 1de3 s ASN 8 Ca 0.25 0.72 -0.06 0.00 -1.57 0.00 0.00 52.86 52.19 1de3 s ASN 8 Cb -0.11 -2.15 -0.05 0.00 -0.02 0.00 0.00 41.25 38.93 1de3 s ASN 8 CO -0.09 -0.41 0.27 -0.62 -2.57 0.00 0.00 177.10 173.67 1de3 s ASP 9 N -3.94 6.48 -0.16 -1.22 -1.08 -1.26 -1.64 116.67 113.85 1de3 s ASP 9 Ca 0.44 0.54 -0.04 0.00 -0.52 0.00 0.00 52.55 52.97 1de3 s ASP 9 Cb -0.10 -2.08 0.05 0.00 -1.46 0.00 0.00 42.92 39.33 1de3 s ASP 9 CO 0.39 0.24 0.07 -1.10 0.52 0.00 0.00 175.17 175.29 1de3 s GLN 10 N -1.85 0.22 -1.33 4.34 -0.21 0.84 -0.39 119.66 121.27 1de3 s GLN 10 Ca 0.29 -0.10 -0.16 0.00 0.02 0.00 0.00 55.36 55.40 1de3 s GLN 10 Cb -0.13 -1.70 0.07 0.00 1.00 0.00 0.00 33.01 32.25 1de3 s GLN 10 CO 0.17 -0.60 1.85 1.17 -2.12 0.00 0.00 175.29 175.76 1de3 n LYS 11 N 5.22 3.14 -1.68 2.91 4.81 -1.26 -0.98 118.16 130.31 1de3 n LYS 11 Ca -0.07 -3.16 -0.50 0.00 -0.87 0.00 0.00 58.31 53.71 1de3 n LYS 11 Cb 0.49 -3.39 -0.05 0.00 0.02 0.00 0.00 35.03 32.10 1de3 n LYS 11 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1de3 n ASN 12 N 7.42 3.08 0.19 3.14 5.15 -0.16 -4.76 115.26 129.32 1de3 n ASN 12 Ca 0.48 1.01 0.05 0.00 -0.60 0.00 0.00 54.58 55.53 1de3 n ASN 12 Cb 0.44 -1.31 0.37 0.00 -0.53 0.00 0.00 39.78 38.74 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 8.19 0.00 -0.22 1.20 0.13 -1.93 0.20 132.00 139.57 1de3 h PRO 13 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1de3 h PRO 13 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1de3 h PRO 13 CO 0.94 0.37 0.12 -0.22 -0.23 0.00 0.00 178.00 178.98 1de3 h LYS 14 N 0.00 0.31 -0.02 0.86 1.63 -1.96 -2.97 116.57 114.42 1de3 h LYS 14 Ca -0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1de3 h LYS 14 Cb 0.82 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1de3 h LYS 14 CO 0.05 0.30 -0.39 0.25 -3.45 0.00 0.00 179.45 176.21 1de3 n THR 15 N -4.87 0.00 -3.16 1.00 -2.24 -1.20 -4.96 114.28 98.84 1de3 n THR 15 Ca -0.03 -0.30 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 1de3 n THR 15 Cb 0.08 1.29 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.22 -2.50 -4.17 3.42 5.15 0.67 -4.91 115.26 113.14 1de3 n ASN 16 Ca 0.10 -0.17 -0.19 0.00 -0.60 0.00 0.00 54.58 53.73 1de3 n ASN 16 Cb 0.49 -2.15 -0.12 0.00 -0.53 0.00 0.00 39.78 37.47 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1de3 s LYS 17 N -5.76 0.83 -0.13 1.20 2.20 -0.97 -4.92 119.74 112.19 1de3 s LYS 17 Ca 0.29 -0.94 -0.19 0.00 -0.36 0.00 0.00 55.97 54.77 1de3 s LYS 17 Cb -0.16 -0.85 -0.04 0.00 -1.51 0.00 0.00 37.83 35.27 1de3 s LYS 17 CO 0.36 0.19 0.53 0.71 -0.36 0.00 0.00 175.35 176.78 1de3 s TYR 18 N -1.23 3.48 0.08 4.03 2.02 -1.26 -0.99 117.35 123.49 1de3 s TYR 18 Ca -0.01 0.92 0.06 0.00 -0.37 0.00 0.00 57.07 57.67 1de3 s TYR 18 Cb -0.10 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.80 1de3 s TYR 18 CO 0.02 0.08 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.70 1de3 s GLU 19 N 0.95 0.95 -1.01 -0.62 2.02 -0.15 -4.89 118.70 115.95 1de3 s GLU 19 Ca 0.27 -1.01 -0.09 0.00 0.02 0.00 0.00 54.97 54.16 1de3 s GLU 19 Cb -0.16 -1.05 0.26 0.00 0.10 0.00 0.00 34.13 33.28 1de3 s GLU 19 CO 0.11 0.24 0.98 0.99 0.02 0.00 0.00 175.26 177.60 1de3 s THR 20 N -1.19 5.63 0.78 3.63 2.01 -1.26 -0.11 115.64 125.12 1de3 s THR 20 Ca 0.01 -3.30 -0.11 0.00 0.31 0.00 0.00 61.69 58.61 1de3 s THR 20 Cb -0.10 -4.41 0.06 0.00 0.01 0.00 0.00 72.50 68.06 1de3 s THR 20 CO 0.03 -1.13 1.09 -0.54 -0.69 0.00 0.00 174.62 173.38 1de3 s LYS 21 N -0.98 2.23 -0.58 4.92 -0.14 -0.65 -4.84 119.74 119.71 1de3 s LYS 21 Ca 0.27 1.14 -0.10 0.00 -1.36 0.00 0.00 55.97 55.93 1de3 s LYS 21 Cb -0.10 -1.90 0.15 0.00 -1.68 0.00 0.00 37.83 34.30 1de3 s LYS 21 CO -0.09 -1.65 0.46 1.03 -0.76 0.00 0.00 175.35 174.34 1de3 s ARG 22 N -4.91 2.77 -0.76 1.68 0.52 -1.26 -2.70 118.95 114.29 1de3 s ARG 22 Ca 0.61 -2.04 -0.24 0.00 -0.52 0.00 0.00 55.73 53.54 1de3 s ARG 22 Cb -0.17 -4.03 0.05 0.00 0.52 0.00 0.00 34.95 31.32 1de3 s ARG 22 CO 0.56 -1.22 1.18 -1.17 0.02 0.00 0.00 175.30 174.67 1de3 s LEU 23 N 0.89 3.76 -0.05 2.53 2.96 0.13 -4.89 118.68 124.01 1de3 s LEU 23 Ca 0.10 -0.87 -0.25 0.00 -0.22 0.00 0.00 54.13 52.88 1de3 s LEU 23 Cb -0.22 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1de3 s LEU 23 CO -0.02 -1.61 0.78 -0.22 -1.32 0.00 0.00 176.35 173.96 1de3 s LEU 24 N 4.85 4.33 -0.04 -0.68 1.98 -1.26 -0.17 118.68 127.69 1de3 s LEU 24 Ca 0.32 1.32 0.05 0.00 -2.89 0.00 0.00 54.13 52.93 1de3 s LEU 24 Cb -0.10 -3.23 -0.01 0.00 0.66 0.00 0.00 46.19 43.52 1de3 s LEU 24 CO 0.09 -0.16 -0.18 -0.31 -1.89 0.00 0.00 176.35 173.89 1de3 s TYR 25 N 0.88 1.74 -0.20 5.38 1.51 0.93 -4.69 117.35 122.91 1de3 s TYR 25 Ca 0.42 -0.47 -0.19 0.00 -1.01 0.00 0.00 57.07 55.82 1de3 s TYR 25 Cb -0.19 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.47 1de3 s TYR 25 CO 0.21 -0.14 0.56 1.21 -1.11 0.00 0.00 175.55 176.27 1de3 s ASN 26 N -0.07 6.60 0.44 2.29 2.47 -1.26 -0.06 114.94 125.36 1de3 s ASN 26 Ca -0.02 0.73 0.13 0.00 0.42 0.00 0.00 52.86 54.12 1de3 s ASN 26 Cb -0.11 -2.31 1.03 0.00 -1.45 0.00 0.00 41.25 38.41 1de3 s ASN 26 CO 0.02 -0.21 2.01 -0.61 -3.72 0.00 0.00 177.10 174.58 1de3 h GLN 27 N 7.47 0.38 0.13 0.43 -0.00 -1.61 -1.02 115.11 120.90 1de3 h GLN 27 Ca -0.33 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.31 1de3 h GLN 27 Cb 1.15 -0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.52 1de3 h GLN 27 CO 0.75 0.25 -0.20 -0.97 0.00 0.00 0.00 178.83 178.66 1de3 h ASN 28 N 0.39 -0.55 -0.02 -0.69 -0.73 -1.80 0.59 115.58 112.77 1de3 h ASN 28 Ca 0.24 0.06 0.01 0.00 1.87 0.00 0.00 56.30 58.47 1de3 h ASN 28 Cb 0.42 0.20 -0.00 0.00 0.27 0.00 0.00 38.32 39.22 1de3 h ASN 28 CO -0.06 -0.29 0.04 0.11 -0.37 0.00 0.00 177.43 176.86 1de3 h LYS 29 N -0.39 0.00 0.00 6.67 1.57 -1.59 0.46 116.57 123.29 1de3 h LYS 29 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1de3 h LYS 29 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1de3 h LYS 29 CO -0.10 0.00 -0.20 0.00 -0.57 0.00 0.00 179.45 178.59 1de3 h ALA 30 N 1.94 0.00 -0.45 3.86 0.00 -0.37 -0.51 119.26 123.74 1de3 h ALA 30 Ca 0.01 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.85 1de3 h ALA 30 Cb 0.09 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1de3 h ALA 30 CO -0.00 0.20 0.34 1.05 0.00 0.00 0.00 179.25 180.84 1de3 h GLU 31 N -1.00 0.00 0.00 0.00 -0.00 0.43 0.31 114.58 114.33 1de3 h GLU 31 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.31 1de3 h GLU 31 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.94 1de3 h GLU 31 CO 0.00 0.00 -0.27 1.03 -0.00 0.00 0.00 179.01 179.77 1de3 h SER 32 N 0.00 0.00 -0.84 3.06 0.87 -0.20 -2.12 113.55 114.32 1de3 h SER 32 Ca 0.21 -0.90 0.13 0.00 -1.23 0.00 0.00 61.79 60.01 1de3 h SER 32 Cb 0.90 -0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.77 1de3 h SER 32 CO -0.00 1.10 0.44 0.78 -0.53 0.00 0.00 176.83 178.62 1de3 h ASN 33 N -1.00 0.56 -0.33 6.23 2.35 -0.57 0.15 115.58 122.98 1de3 h ASN 33 Ca -0.07 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 1de3 h ASN 33 Cb 1.07 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1de3 h ASN 33 CO -0.04 0.27 0.06 0.77 -1.65 0.00 0.00 177.43 176.83 1de3 h SER 34 N 0.67 0.52 0.45 5.81 4.64 -1.07 0.13 113.55 124.70 1de3 h SER 34 Ca 0.44 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1de3 h SER 34 Cb 0.57 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1de3 h SER 34 CO -0.33 0.64 0.00 1.41 -0.87 0.00 0.00 176.83 177.68 1de3 n HIS 35 N -4.61 0.71 -0.10 4.77 8.25 -0.31 -2.25 115.22 121.69 1de3 n HIS 35 Ca -0.02 0.31 -0.23 0.00 -0.26 0.00 0.00 57.72 57.52 1de3 n HIS 35 Cb 0.21 -1.00 -0.12 0.00 1.12 0.00 0.00 29.99 30.20 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 -2.18 0.81 -1.79 4.41 -0.00 0.38 -4.94 115.22 111.91 1de3 n HIS 36 Ca 0.01 0.31 -0.40 0.00 -0.00 0.00 0.00 57.72 57.64 1de3 n HIS 36 Cb 0.15 -1.09 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 -2.43 3.23 0.50 -1.41 0.00 -0.00 -4.98 121.76 116.66 1de3 s ALA 37 Ca -0.30 1.47 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 1de3 s ALA 37 Cb 0.08 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 1de3 s ALA 37 CO 0.60 -1.21 1.11 -1.25 0.00 0.00 0.00 175.76 175.01 1de3 s PRO 38 N -2.47 3.63 -1.19 0.00 0.04 -1.26 -4.91 135.00 128.84 1de3 s PRO 38 Ca 0.61 1.60 -0.14 0.00 0.04 0.00 0.00 61.00 63.12 1de3 s PRO 38 Cb -0.44 -2.18 0.18 0.00 0.04 0.00 0.00 34.50 32.10 1de3 s PRO 38 CO 0.56 -0.62 1.39 -0.51 0.04 0.00 0.00 177.00 177.87 1de3 s LEU 39 N -3.42 5.15 -0.30 -3.56 1.43 -1.26 -4.45 118.68 112.28 1de3 s LEU 39 Ca 0.68 -3.00 -0.04 0.00 -1.03 0.00 0.00 54.13 50.74 1de3 s LEU 39 Cb -0.24 -2.39 0.18 0.00 0.03 0.00 0.00 46.19 43.78 1de3 s LEU 39 CO 0.28 -0.73 0.69 -0.94 0.23 0.00 0.00 176.35 175.88 1de3 s SER 40 N 2.75 -1.19 0.32 2.29 1.04 -1.26 -5.01 113.70 112.64 1de3 s SER 40 Ca 0.41 0.82 -0.29 0.00 0.48 0.00 0.00 55.95 57.37 1de3 s SER 40 Cb -0.03 2.03 -0.11 0.00 0.10 0.00 0.00 66.02 68.00 1de3 s SER 40 CO -0.01 -0.22 1.56 -0.62 0.98 0.00 0.00 173.24 174.93 1de3 s ASP 41 N 2.87 6.35 -1.02 7.02 2.15 -1.25 -3.74 116.67 129.06 1de3 s ASP 41 Ca 0.15 2.99 -0.25 0.00 0.43 0.00 0.00 52.55 55.87 1de3 s ASP 41 Cb -0.14 -2.65 0.03 0.00 -0.30 0.00 0.00 42.92 39.87 1de3 s ASP 41 CO -0.19 -0.91 0.60 0.61 -0.17 0.00 0.00 175.17 175.11 1de3 n GLY 42 N 1.58 -0.85 1.43 2.66 0.00 -1.15 -4.00 105.19 104.87 1de3 n GLY 42 Ca 0.06 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 -4.20 0.15 -4.18 1.61 4.81 -1.23 -4.80 118.16 110.32 1de3 n LYS 43 Ca -0.14 -1.66 -0.15 0.00 -0.87 0.00 0.00 58.31 55.48 1de3 n LYS 43 Cb 0.53 0.12 -0.08 0.00 0.02 0.00 0.00 35.03 35.63 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 -0.20 0.00 0.02 3.15 2.01 -1.26 -5.02 115.64 114.34 1de3 s THR 44 Ca 0.19 -1.85 -0.09 0.00 0.31 0.00 0.00 61.69 60.26 1de3 s THR 44 Cb 0.24 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1de3 s THR 44 CO -0.10 0.00 1.13 1.23 -0.69 0.00 0.00 174.62 176.20 1de3 h GLY 45 N 2.30 -0.79 0.74 4.40 0.00 -1.53 -2.06 103.07 106.13 1de3 h GLY 45 Ca -0.29 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1de3 h GLY 45 CO 0.42 -0.28 0.00 -1.14 0.00 0.00 0.00 176.54 175.54 1de3 n SER 46 N -3.02 0.00 0.00 0.19 3.41 0.94 -3.97 113.62 111.17 1de3 n SER 46 Ca -0.03 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 1de3 n SER 46 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.87 0.00 -4.77 4.04 2.88 -0.78 -4.98 113.62 109.14 1de3 n SER 47 Ca 0.13 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.28 1de3 n SER 47 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 -0.76 2.65 -0.11 0.66 2.02 -1.26 -2.92 117.35 117.63 1de3 s TYR 48 Ca 0.00 1.33 -0.30 0.00 -0.37 0.00 0.00 57.07 57.73 1de3 s TYR 48 Cb 0.00 -3.81 -0.02 0.00 -0.40 0.00 0.00 41.96 37.74 1de3 s TYR 48 CO 0.00 -2.52 1.14 -1.25 -1.57 0.00 0.00 175.55 171.36 1de3 s PRO 49 N -2.31 4.33 0.40 -1.71 0.04 -1.26 -4.63 135.00 129.87 1de3 s PRO 49 Ca 0.58 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 1de3 s PRO 49 Cb -0.41 -3.61 -0.05 0.00 0.04 0.00 0.00 34.50 30.47 1de3 s PRO 49 CO 0.53 -0.49 0.72 -3.38 0.04 0.00 0.00 177.00 174.43 1de3 s HIS 50 N 2.55 3.50 0.20 0.56 -3.43 -1.24 -3.62 115.29 113.80 1de3 s HIS 50 Ca 0.52 0.88 -0.31 0.00 -0.80 0.00 0.00 55.06 55.36 1de3 s HIS 50 Cb -0.21 -2.32 -0.10 0.00 -1.43 0.00 0.00 32.58 28.52 1de3 s HIS 50 CO 0.17 -0.09 1.48 -0.46 -2.00 0.00 0.00 174.74 173.84 1de3 s TRP 51 N -2.41 3.08 -0.79 0.38 -0.00 -1.26 -0.51 118.94 117.42 1de3 s TRP 51 Ca 0.48 0.87 -0.16 0.00 -0.00 0.00 0.00 56.10 57.30 1de3 s TRP 51 Cb -0.10 -3.83 0.18 0.00 -0.00 0.00 0.00 33.47 29.71 1de3 s TRP 51 CO 0.35 -2.89 0.80 0.12 -0.00 0.00 0.00 176.95 175.33 1de3 s PHE 52 N 0.60 3.51 0.41 5.86 5.36 0.16 -4.77 117.98 129.12 1de3 s PHE 52 Ca 0.64 -1.70 0.28 0.00 -0.96 0.00 0.00 56.93 55.18 1de3 s PHE 52 Cb -0.42 -3.93 1.43 0.00 -0.34 0.00 0.00 43.02 39.77 1de3 s PHE 52 CO 0.37 -1.12 1.58 1.79 -1.46 0.00 0.00 175.22 176.38 1de3 h THR 53 N 5.21 0.02 -3.11 0.12 1.35 -1.86 -3.41 112.91 111.23 1de3 h THR 53 Ca 0.04 -0.01 -0.23 0.00 -0.55 0.00 0.00 66.41 65.66 1de3 h THR 53 Cb 1.05 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.43 1de3 h THR 53 CO 0.88 0.00 -0.27 -3.20 -0.25 0.00 0.00 175.52 172.68 1de3 n ASN 54 N -4.93 -3.53 0.00 5.36 2.85 -1.26 -0.00 115.26 113.74 1de3 n ASN 54 Ca 0.39 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 55.10 1de3 n ASN 54 Cb 1.45 -3.11 0.00 0.00 1.24 0.00 0.00 39.78 39.36 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1de3 n GLY 55 N -0.60 2.97 3.45 8.20 0.00 -1.26 -3.85 105.19 114.10 1de3 n GLY 55 Ca -0.13 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.12 -0.02 1.61 4.01 0.99 -4.52 117.16 118.11 1de3 n TYR 56 Ca 0.00 0.26 0.01 0.00 -0.16 0.00 0.00 57.90 58.01 1de3 n TYR 56 Cb 0.00 -1.83 -0.13 0.00 -0.31 0.00 0.00 39.34 37.07 1de3 n TYR 56 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1de3 n ASP 57 N -1.47 0.29 0.00 7.72 8.00 -0.06 -4.75 116.55 126.28 1de3 n ASP 57 Ca 0.08 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1de3 n ASP 57 Cb 0.53 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.69 1de3 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de3 n GLY 58 N 1.46 -0.89 0.00 0.44 0.00 -1.26 -5.07 105.19 99.87 1de3 n GLY 58 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.55 1.61 9.92 -1.26 -2.73 116.55 123.54 1de3 n ASP 59 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.24 1de3 n ASP 59 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1de3 n GLY 60 N 2.84 0.66 3.35 0.44 0.00 -1.26 -1.64 105.19 109.57 1de3 n GLY 60 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 1.76 0.09 1.61 -0.14 -1.26 -4.92 119.74 116.88 1de3 s LYS 61 Ca 0.00 -1.14 0.06 0.00 -1.36 0.00 0.00 55.97 53.54 1de3 s LYS 61 Cb 0.00 -1.97 -0.03 0.00 -1.68 0.00 0.00 37.83 34.14 1de3 s LYS 61 CO 0.00 0.51 -0.16 -0.51 -0.76 0.00 0.00 175.35 174.42 1de3 s LEU 62 N -1.34 2.31 0.00 3.17 1.02 -1.26 -0.88 118.68 121.70 1de3 s LEU 62 Ca 0.12 -0.68 0.00 0.00 0.02 0.00 0.00 54.13 53.59 1de3 s LEU 62 Cb -0.10 -0.65 0.00 0.00 0.02 0.00 0.00 46.19 45.46 1de3 s LEU 62 CO 0.03 -0.05 0.00 -0.81 0.02 0.00 0.00 176.35 175.54 1de3 n PRO 63 N 1.04 -0.01 -2.29 1.29 -0.04 -1.26 -4.93 135.00 128.79 1de3 n PRO 63 Ca -0.19 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.84 1de3 n PRO 63 Cb 0.55 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.98 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 -1.71 3.67 0.00 0.54 2.47 -1.26 -3.87 119.74 119.57 1de3 s LYS 64 Ca 0.00 1.18 0.00 0.00 -1.56 0.00 0.00 55.97 55.59 1de3 s LYS 64 Cb 0.00 -4.01 0.00 0.00 -1.46 0.00 0.00 37.83 32.36 1de3 s LYS 64 CO 0.00 -1.44 0.00 0.41 0.16 0.00 0.00 175.35 174.48 1de3 n GLY 65 N 4.85 0.28 3.69 5.54 0.00 -1.26 -5.11 105.19 113.17 1de3 n GLY 65 Ca 0.17 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1de3 n GLY 65 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1de3 s ARG 66 N -2.42 2.50 -0.44 1.61 3.03 -1.25 -5.09 118.95 116.89 1de3 s ARG 66 Ca 0.00 -1.00 0.06 0.00 2.03 0.00 0.00 55.73 56.82 1de3 s ARG 66 Cb 0.00 -2.45 0.20 0.00 -1.03 0.00 0.00 34.95 31.68 1de3 s ARG 66 CO 0.00 0.48 0.54 -2.37 -1.13 0.00 0.00 175.30 172.83 1de3 n THR 67 N 0.07 -0.67 -2.17 4.99 5.66 -1.26 -5.09 114.28 115.80 1de3 n THR 67 Ca -0.10 -2.83 -0.40 0.00 -3.05 0.00 0.00 64.05 57.68 1de3 n THR 67 Cb 0.54 -0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 68.52 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 -0.02 2.92 -0.58 1.09 0.04 -1.25 -4.75 135.00 132.45 1de3 s PRO 68 Ca 0.33 0.57 -0.40 0.00 0.04 0.00 0.00 61.00 61.54 1de3 s PRO 68 Cb 0.09 -4.28 -0.18 0.00 0.04 0.00 0.00 34.50 30.17 1de3 s PRO 68 CO -0.15 -2.39 2.27 -0.89 0.04 0.00 0.00 177.00 175.88 1de3 n ILE 69 N 7.06 0.02 -2.93 0.56 5.41 -1.26 -4.88 119.36 123.35 1de3 n ILE 69 Ca 0.17 -0.06 -0.40 0.00 1.00 0.00 0.00 62.75 63.46 1de3 n ILE 69 Cb 0.50 -0.72 -0.04 0.00 -0.71 0.00 0.00 39.64 38.68 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 6.72 4.48 0.00 0.38 2.20 -1.26 -4.94 119.74 127.32 1de3 s LYS 70 Ca 1.21 1.08 0.22 0.00 -0.36 0.00 0.00 55.97 58.12 1de3 s LYS 70 Cb -1.33 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 31.52 1de3 s LYS 70 CO 0.59 0.04 1.04 1.19 -0.36 0.00 0.00 175.35 177.86 1de3 n PHE 71 N 3.74 0.00 -0.85 4.03 3.72 -1.26 -4.96 117.46 121.88 1de3 n PHE 71 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1de3 n PHE 71 Cb 0.51 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 1.49 0.52 3.05 1.37 0.00 -1.26 -5.04 105.19 105.32 1de3 n GLY 72 Ca 0.05 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.07 2.22 0.61 1.61 -0.14 -1.26 -4.98 119.74 116.72 1de3 s LYS 73 Ca 0.00 -1.23 0.27 0.00 -1.36 0.00 0.00 55.97 53.66 1de3 s LYS 73 Cb 0.00 -2.79 1.31 0.00 -1.68 0.00 0.00 37.83 34.67 1de3 s LYS 73 CO 0.00 -0.53 1.73 0.77 -0.76 0.00 0.00 175.35 176.56 1de3 h SER 74 N 7.82 0.00 0.43 2.83 0.02 -1.96 0.20 113.55 122.89 1de3 h SER 74 Ca -0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1de3 h SER 74 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1de3 h SER 74 CO 0.47 0.00 -0.21 0.44 -1.14 0.00 0.00 176.83 176.40 1de3 h ASP 75 N 0.00 -0.49 0.18 3.07 5.19 -1.96 0.13 116.42 122.55 1de3 h ASP 75 Ca 0.24 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 1de3 h ASP 75 Cb 1.55 0.13 -0.00 0.00 0.18 0.00 0.00 39.33 41.18 1de3 h ASP 75 CO -0.00 -0.06 -0.03 0.00 -3.12 0.00 0.00 179.24 176.03 1de3 h ASP 77 N 0.00 0.00 -3.24 0.00 3.58 -0.63 -3.48 116.42 112.65 1de3 h ASP 77 Ca -0.00 -0.07 -0.54 0.00 0.42 0.00 0.00 57.03 56.84 1de3 h ASP 77 Cb 0.13 0.00 0.22 0.00 1.72 0.00 0.00 39.33 41.39 1de3 h ASP 77 CO 0.00 0.04 -0.70 -2.11 -2.88 0.00 0.00 179.24 173.59 1de3 n ARG 78 N -2.48 -0.21 -2.07 0.28 1.85 0.44 -4.89 116.66 109.58 1de3 n ARG 78 Ca 0.03 -0.02 -0.43 0.00 -1.00 0.00 0.00 57.85 56.43 1de3 n ARG 78 Cb 0.48 -1.76 -0.03 0.00 -1.05 0.00 0.00 32.46 30.10 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 -3.38 3.72 -0.36 2.89 0.04 -1.26 -4.95 135.00 131.70 1de3 s PRO 79 Ca 0.56 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 1de3 s PRO 79 Cb -0.22 -4.07 -0.00 0.00 0.04 0.00 0.00 34.50 30.25 1de3 s PRO 79 CO 0.68 -1.39 1.48 -1.25 0.04 0.00 0.00 177.00 176.56 1de3 s PRO 80 N 4.86 3.62 -1.02 0.56 0.04 -0.65 -4.85 135.00 137.55 1de3 s PRO 80 Ca 0.74 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1de3 s PRO 80 Cb -0.25 -4.03 0.14 0.00 0.04 0.00 0.00 34.50 30.39 1de3 s PRO 80 CO 0.30 -1.51 1.24 0.21 0.04 0.00 0.00 177.00 177.29 1de3 s LYS 81 N 4.90 3.75 -0.07 4.56 2.20 -0.25 -4.03 119.74 130.80 1de3 s LYS 81 Ca 0.65 -1.97 0.03 0.00 -0.36 0.00 0.00 55.97 54.32 1de3 s LYS 81 Cb -0.17 -4.99 -0.02 0.00 -1.51 0.00 0.00 37.83 31.14 1de3 s LYS 81 CO 0.31 -1.80 -0.15 -1.58 -0.36 0.00 0.00 175.35 171.76 1de3 s HIS 82 N 2.52 2.71 0.00 4.03 5.65 -1.11 -2.32 115.29 126.78 1de3 s HIS 82 Ca 0.37 -0.36 0.00 0.00 0.25 0.00 0.00 55.06 55.31 1de3 s HIS 82 Cb -0.04 -1.69 0.00 0.00 -1.18 0.00 0.00 32.58 29.67 1de3 s HIS 82 CO -0.06 0.02 0.00 0.45 -0.65 0.00 0.00 174.74 174.50 1de3 n SER 83 N 2.74 0.00 0.00 9.88 2.88 -1.24 -4.63 113.62 123.25 1de3 n SER 83 Ca -0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1de3 n SER 83 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1de3 n SER 83 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1de3 n LYS 84 N 0.00 0.00 -0.61 -1.46 4.01 -1.26 -4.50 118.16 114.34 1de3 n LYS 84 Ca 0.00 0.16 0.06 0.00 -0.51 0.00 0.00 58.31 58.02 1de3 n LYS 84 Cb 0.00 -1.14 0.15 0.00 -0.51 0.00 0.00 35.03 33.53 1de3 n LYS 84 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1de3 n ASP 85 N -0.94 1.65 0.00 4.39 8.00 -1.26 -5.03 116.55 123.35 1de3 n ASP 85 Ca 0.00 -3.32 0.00 0.00 0.71 0.00 0.00 54.79 52.18 1de3 n ASP 85 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 -0.88 4.57 0.00 0.44 0.00 -1.26 -3.00 105.19 105.06 1de3 n GLY 86 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 0.00 0.00 0.00 1.61 6.94 -1.26 -3.66 115.26 118.89 1de3 n ASN 87 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1de3 n ASN 87 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.00 0.04 0.02 4.83 0.00 -1.26 -3.78 105.19 105.03 1de3 n GLY 88 Ca 0.00 -1.14 0.11 0.00 0.00 0.00 0.00 46.02 44.99 1de3 n GLY 88 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1de3 n LYS 89 N 0.00 0.24 -0.92 1.61 -0.00 -1.26 -4.31 118.16 113.51 1de3 n LYS 89 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1de3 n LYS 89 Cb 0.00 -1.54 -0.00 0.00 -0.00 0.00 0.00 35.03 33.48 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 -1.83 0.00 -3.12 0.58 -2.24 -1.26 -5.05 114.28 101.36 1de3 n THR 90 Ca 0.02 -0.34 -0.45 0.00 -2.27 0.00 0.00 64.05 61.01 1de3 n THR 90 Cb 0.42 0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 1de3 n THR 90 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1de3 s ASP 91 N -1.18 6.44 -1.28 3.42 1.11 -1.26 -4.96 116.67 118.96 1de3 s ASP 91 Ca 0.12 -1.90 -0.15 0.00 0.18 0.00 0.00 52.55 50.80 1de3 s ASP 91 Cb 0.13 -2.30 0.12 0.00 1.07 0.00 0.00 42.92 41.94 1de3 s ASP 91 CO -0.06 -0.97 1.70 0.00 1.18 0.00 0.00 175.17 177.02 1de3 n HIS 92 N 5.82 4.42 -3.48 4.23 1.44 -0.98 -4.71 115.22 121.95 1de3 n HIS 92 Ca 0.05 -3.05 -0.23 0.00 -2.01 0.00 0.00 57.72 52.48 1de3 n HIS 92 Cb 0.45 -2.36 -0.01 0.00 0.12 0.00 0.00 29.99 28.19 1de3 n HIS 92 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1de3 s TYR 93 N 2.56 3.42 -0.41 -1.40 1.13 -1.20 -1.09 117.35 120.36 1de3 s TYR 93 Ca 0.47 0.20 -0.19 0.00 -1.41 0.00 0.00 57.07 56.14 1de3 s TYR 93 Cb 0.03 -1.88 0.02 0.00 -1.10 0.00 0.00 41.96 39.03 1de3 s TYR 93 CO 0.02 0.13 0.53 -0.51 -2.51 0.00 0.00 175.55 173.21 1de3 s LEU 94 N -4.25 4.60 0.39 -3.49 1.43 -1.26 -3.46 118.68 112.64 1de3 s LEU 94 Ca 0.40 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 53.04 1de3 s LEU 94 Cb -0.09 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1de3 s LEU 94 CO 0.34 -0.63 0.70 -0.76 0.23 0.00 0.00 176.35 176.23 1de3 s LEU 95 N 2.45 3.84 -0.30 1.79 1.02 -0.79 0.39 118.68 127.08 1de3 s LEU 95 Ca 0.18 0.89 -0.02 0.00 0.02 0.00 0.00 54.13 55.20 1de3 s LEU 95 Cb -0.16 -3.78 0.10 0.00 0.02 0.00 0.00 46.19 42.38 1de3 s LEU 95 CO 0.16 -0.40 0.10 -0.70 0.02 0.00 0.00 176.35 175.53 1de3 s GLU 96 N -4.11 0.59 -0.05 1.70 2.12 0.33 -3.11 118.70 116.17 1de3 s GLU 96 Ca 0.47 -0.91 -0.16 0.00 0.36 0.00 0.00 54.97 54.73 1de3 s GLU 96 Cb -0.10 -1.80 -0.05 0.00 0.26 0.00 0.00 34.13 32.44 1de3 s GLU 96 CO 0.36 -0.98 0.42 0.12 -0.54 0.00 0.00 175.26 174.65 1de3 s PHE 97 N 1.74 3.63 -1.13 5.30 2.19 -0.64 -3.64 117.98 125.45 1de3 s PHE 97 Ca 0.09 0.93 -0.22 0.00 0.33 0.00 0.00 56.93 58.06 1de3 s PHE 97 Cb -0.17 -2.39 -0.02 0.00 -1.31 0.00 0.00 43.02 39.14 1de3 s PHE 97 CO -0.27 0.45 1.81 -1.25 1.83 0.00 0.00 175.22 177.78 1de3 s PRO 98 N -0.37 3.06 0.37 10.12 0.04 -1.26 -0.41 135.00 146.55 1de3 s PRO 98 Ca 0.24 -1.18 -0.27 0.00 0.04 0.00 0.00 61.00 59.83 1de3 s PRO 98 Cb -0.16 -5.30 -0.09 0.00 0.04 0.00 0.00 34.50 28.99 1de3 s PRO 98 CO 0.12 -3.13 1.31 -0.08 0.04 0.00 0.00 177.00 175.25 1de3 s THR 99 N 8.12 2.66 0.02 1.26 -1.32 -1.01 -4.63 115.64 120.74 1de3 s THR 99 Ca 0.61 0.62 0.02 0.00 -1.21 0.00 0.00 61.69 61.73 1de3 s THR 99 Cb -0.01 -3.38 -0.04 0.00 -1.51 0.00 0.00 72.50 67.56 1de3 s THR 99 CO 0.05 0.12 0.03 -0.36 -2.21 0.00 0.00 174.62 172.25 1de3 s PHE 100 N -1.21 3.13 0.07 9.09 0.40 -1.26 -4.52 117.98 123.68 1de3 s PHE 100 Ca 0.53 0.10 -0.15 0.00 -0.60 0.00 0.00 56.93 56.81 1de3 s PHE 100 Cb -0.39 -1.66 -0.20 0.00 0.51 0.00 0.00 43.02 41.28 1de3 s PHE 100 CO 0.51 0.50 1.23 -1.00 0.70 0.00 0.00 175.22 177.15 1de3 h PRO 101 N 3.97 0.67 -1.31 0.24 0.13 -1.92 -3.06 132.00 130.73 1de3 h PRO 101 Ca -0.48 -0.63 0.38 0.00 -0.87 0.00 0.00 66.00 64.40 1de3 h PRO 101 Cb 1.17 0.16 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 1de3 h PRO 101 CO 0.60 1.23 0.91 -0.44 -0.23 0.00 0.00 178.00 180.08 1de3 h ASP 102 N 0.34 0.12 0.00 1.44 5.19 -1.97 -3.44 116.42 118.10 1de3 h ASP 102 Ca -0.08 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1de3 h ASP 102 Cb 1.46 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.99 1de3 h ASP 102 CO 0.16 -0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.88 1de3 n GLY 103 N -1.70 0.64 3.90 2.75 0.00 -1.16 -5.07 105.19 104.55 1de3 n GLY 103 Ca 0.30 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.09 1.61 -3.43 -1.26 -4.97 115.29 107.70 1de3 s HIS 104 Ca 0.00 0.83 -0.10 0.00 -0.80 0.00 0.00 55.06 54.99 1de3 s HIS 104 Cb 0.00 -2.31 0.27 0.00 -1.43 0.00 0.00 32.58 29.10 1de3 s HIS 104 CO 0.00 -0.26 1.10 0.16 -2.00 0.00 0.00 174.74 173.74 1de3 s ASP 105 N -4.01 7.25 0.15 7.38 1.47 -1.26 -4.46 116.67 123.20 1de3 s ASP 105 Ca 0.48 -3.47 -0.22 0.00 1.18 0.00 0.00 52.55 50.52 1de3 s ASP 105 Cb -0.10 -2.22 -0.14 0.00 -0.34 0.00 0.00 42.92 40.12 1de3 s ASP 105 CO 0.44 -0.35 0.43 0.00 0.68 0.00 0.00 175.17 176.36 1de3 n TYR 106 N 3.03 -0.36 -1.99 2.11 9.36 -1.26 -4.74 117.16 123.30 1de3 n TYR 106 Ca 0.24 0.77 -0.26 0.00 3.32 0.00 0.00 57.90 61.97 1de3 n TYR 106 Cb 0.40 -1.55 -0.07 0.00 -0.63 0.00 0.00 39.34 37.49 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 -0.76 2.29 0.32 2.98 -2.85 -1.26 -4.67 119.74 115.79 1de3 s LYS 107 Ca 0.51 -0.99 0.25 0.00 -1.00 0.00 0.00 55.97 54.74 1de3 s LYS 107 Cb -0.74 -5.19 0.66 0.00 -2.06 0.00 0.00 37.83 30.50 1de3 s LYS 107 CO 0.44 -4.18 1.72 0.27 0.10 0.00 0.00 175.35 173.70 1de3 h PHE 108 N 10.13 0.00 -0.00 1.78 -5.15 -1.90 -3.01 116.94 118.78 1de3 h PHE 108 Ca 0.18 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.95 1de3 h PHE 108 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.12 1de3 h PHE 108 CO 1.18 0.00 -0.31 -0.40 -2.00 0.00 0.00 178.31 176.78 1de3 n ASP 109 N -2.63 0.47 -4.45 -0.68 5.68 -1.26 -0.04 116.55 113.63 1de3 n ASP 109 Ca 0.05 -0.24 -0.43 0.00 -0.50 0.00 0.00 54.79 53.66 1de3 n ASP 109 Cb 0.45 0.04 -0.03 0.00 -1.14 0.00 0.00 41.12 40.43 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 -2.85 6.33 0.00 -1.12 0.15 -1.14 -3.30 113.70 111.77 1de3 s SER 110 Ca 0.16 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.45 1de3 s SER 110 Cb 0.18 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 1de3 s SER 110 CO 0.61 -1.31 0.90 1.17 1.20 0.00 0.00 173.24 175.80 1de3 n LYS 111 N 7.34 0.00 -4.14 5.44 4.81 -1.25 -3.16 118.16 127.19 1de3 n LYS 111 Ca 0.06 0.49 -0.27 0.00 -0.87 0.00 0.00 58.31 57.72 1de3 n LYS 111 Cb 0.47 -1.40 -0.17 0.00 0.02 0.00 0.00 35.03 33.95 1de3 n LYS 111 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1de3 s LYS 112 N -2.58 1.74 1.06 1.64 -2.85 -1.26 -3.69 119.74 113.80 1de3 s LYS 112 Ca 0.00 -0.36 -0.18 0.00 -1.00 0.00 0.00 55.97 54.43 1de3 s LYS 112 Cb 0.00 -1.64 0.24 0.00 -2.06 0.00 0.00 37.83 34.37 1de3 s LYS 112 CO 0.00 -0.17 1.28 -1.25 0.10 0.00 0.00 175.35 175.31 1de3 s PRO 113 N 1.35 -0.15 -0.29 1.78 0.04 -1.26 -5.18 135.00 131.29 1de3 s PRO 113 Ca -0.01 -0.39 0.01 0.00 0.04 0.00 0.00 61.00 60.65 1de3 s PRO 113 Cb -0.14 -1.75 0.18 0.00 0.04 0.00 0.00 34.50 32.83 1de3 s PRO 113 CO -0.05 -2.95 0.54 0.21 0.04 0.00 0.00 177.00 174.79 1de3 s LYS 114 N -5.80 0.52 0.52 4.56 2.20 -1.24 -4.76 119.74 115.73 1de3 s LYS 114 Ca 0.75 0.70 -0.22 0.00 -0.36 0.00 0.00 55.97 56.84 1de3 s LYS 114 Cb -0.04 0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 36.43 1de3 s LYS 114 CO 0.54 -0.80 1.25 -2.00 -0.36 0.00 0.00 175.35 173.98 1de3 s GLU 115 N 2.77 3.38 0.31 4.03 2.12 -1.26 -4.98 118.70 125.06 1de3 s GLU 115 Ca 0.15 1.96 -0.29 0.00 0.36 0.00 0.00 54.97 57.15 1de3 s GLU 115 Cb -0.13 -2.26 -0.13 0.00 0.26 0.00 0.00 34.13 31.87 1de3 s GLU 115 CO -0.23 -0.91 1.34 -1.71 -0.54 0.00 0.00 175.26 173.21 1de3 n ASN 116 N -0.89 2.79 -4.53 -1.70 2.85 -1.26 -4.98 115.26 107.54 1de3 n ASN 116 Ca 0.10 1.18 -0.29 0.00 -0.11 0.00 0.00 54.58 55.46 1de3 n ASN 116 Cb 0.47 -1.47 0.19 0.00 1.24 0.00 0.00 39.78 40.21 1de3 n ASN 116 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1de3 s PRO 117 N -1.35 0.16 0.68 1.20 0.04 -1.26 -5.07 135.00 129.40 1de3 s PRO 117 Ca 0.60 0.34 -0.10 0.00 0.04 0.00 0.00 61.00 61.88 1de3 s PRO 117 Cb -0.59 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.24 1de3 s PRO 117 CO 0.58 -2.87 1.04 0.20 0.04 0.00 0.00 177.00 175.99 1de3 s GLY 118 N -3.64 1.62 -0.01 0.56 0.00 -1.26 -5.03 107.32 99.56 1de3 s GLY 118 Ca 0.66 -0.48 -0.22 0.00 0.00 0.00 0.00 44.72 44.69 1de3 s GLY 118 CO 0.57 -0.12 1.17 -0.56 0.00 0.00 0.00 173.10 174.15 1de3 h PRO 119 N -0.54 0.27 -6.32 2.90 0.13 -1.85 -3.44 132.00 123.16 1de3 h PRO 119 Ca -0.45 -0.22 -0.55 0.00 -0.87 0.00 0.00 66.00 63.91 1de3 h PRO 119 Cb 1.26 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1de3 h PRO 119 CO 0.63 0.87 0.63 0.00 -0.23 0.00 0.00 178.00 179.89 1de3 s ALA 120 N -3.62 3.44 -0.04 -0.56 0.00 -1.26 -3.46 121.76 116.26 1de3 s ALA 120 Ca -0.15 0.57 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1de3 s ALA 120 Cb 0.03 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1de3 s ALA 120 CO 0.76 -0.65 -0.14 1.03 0.00 0.00 0.00 175.76 176.76 1de3 s ARG 121 N 1.95 1.45 0.28 0.00 0.52 0.15 -2.42 118.95 120.89 1de3 s ARG 121 Ca 0.54 -0.48 -0.26 0.00 -0.52 0.00 0.00 55.73 55.01 1de3 s ARG 121 Cb -0.23 -1.29 -0.09 0.00 0.52 0.00 0.00 34.95 33.86 1de3 s ARG 121 CO 0.22 0.19 0.90 0.54 0.02 0.00 0.00 175.30 177.17 1de3 s VAL 122 N 0.11 4.23 -0.02 3.52 0.11 0.45 -0.34 120.40 128.46 1de3 s VAL 122 Ca -0.04 1.81 0.05 0.00 -2.93 0.00 0.00 61.98 60.87 1de3 s VAL 122 Cb -0.10 -4.08 -0.01 0.00 -1.53 0.00 0.00 36.38 30.66 1de3 s VAL 122 CO 0.01 0.26 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.26 1de3 s ILE 123 N -1.47 1.28 -0.25 7.04 -1.09 0.02 -1.62 121.20 125.12 1de3 s ILE 123 Ca 0.46 -0.67 -0.27 0.00 -2.23 0.00 0.00 60.65 57.94 1de3 s ILE 123 Cb -0.20 -1.08 0.13 0.00 -1.58 0.00 0.00 42.46 39.73 1de3 s ILE 123 CO 0.25 0.37 1.09 -0.72 -1.23 0.00 0.00 174.94 174.70 1de3 s TYR 124 N -0.24 -0.37 0.00 3.97 1.13 -1.18 -0.02 117.35 120.63 1de3 s TYR 124 Ca 0.03 0.84 0.00 0.00 -1.41 0.00 0.00 57.07 56.53 1de3 s TYR 124 Cb -0.08 0.41 0.00 0.00 -1.10 0.00 0.00 41.96 41.19 1de3 s TYR 124 CO 0.00 -0.23 0.00 0.25 -2.51 0.00 0.00 175.55 173.06 1de3 n THR 125 N 1.66 0.00 -3.60 -3.49 -2.24 -1.22 -1.89 114.28 103.49 1de3 n THR 125 Ca -0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1de3 n THR 125 Cb 0.57 -1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 67.54 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 -0.32 -0.60 -1.46 4.78 5.04 -1.22 -2.43 117.35 121.14 1de3 s TYR 126 Ca 0.00 1.32 0.23 0.00 -2.44 0.00 0.00 57.07 56.18 1de3 s TYR 126 Cb 0.00 0.36 1.19 0.00 0.35 0.00 0.00 41.96 43.86 1de3 s TYR 126 CO 0.00 -0.37 1.77 -0.35 -1.34 0.00 0.00 175.55 175.25 1de3 n PRO 127 N 1.86 0.35 -0.26 4.97 -0.04 -1.26 -4.48 135.00 136.14 1de3 n PRO 127 Ca -0.14 0.06 0.01 0.00 -0.04 0.00 0.00 63.50 63.39 1de3 n PRO 127 Cb 0.56 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.81 -2.43 3.54 2.35 -2.00 -3.45 115.58 112.78 1de3 h ASN 128 Ca 0.00 0.23 -0.38 0.00 -0.55 0.00 0.00 56.30 55.61 1de3 h ASN 128 Cb 0.21 0.50 -0.04 0.00 0.05 0.00 0.00 38.32 39.04 1de3 h ASN 128 CO 0.00 -0.26 -0.46 0.29 -1.65 0.00 0.00 177.43 175.34 1de3 n LYS 129 N -5.49 -1.47 -1.73 0.81 5.02 -1.02 -4.88 118.16 109.39 1de3 n LYS 129 Ca 0.10 0.95 -0.25 0.00 -2.02 0.00 0.00 58.31 57.09 1de3 n LYS 129 Cb 0.39 -5.46 -0.05 0.00 -0.02 0.00 0.00 35.03 29.89 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 -2.90 3.15 -0.47 -0.18 1.01 -1.26 -4.60 120.40 115.14 1de3 s VAL 130 Ca 0.00 -0.06 -0.44 0.00 0.00 0.00 0.00 61.98 61.48 1de3 s VAL 130 Cb 0.00 -3.36 -0.19 0.00 0.00 0.00 0.00 36.38 32.84 1de3 s VAL 130 CO 0.00 -0.34 1.61 0.33 0.00 0.00 0.00 175.10 176.70 1de3 n PHE 131 N 16.27 1.54 -0.08 5.22 7.35 -1.26 -3.45 117.46 143.05 1de3 n PHE 131 Ca 0.40 1.01 -0.09 0.00 -0.76 0.00 0.00 57.45 58.01 1de3 n PHE 131 Cb 0.48 -2.11 -0.04 0.00 0.35 0.00 0.00 39.48 38.16 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 1.58 0.39 2.93 0.00 0.00 -1.14 -4.92 105.19 104.03 1de3 n GLY 133 Ca -0.13 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.03 1.15 -0.09 -0.61 1.09 -1.26 -0.80 121.20 118.65 1de3 s ILE 134 Ca 0.06 -0.36 0.01 0.00 -1.10 0.00 0.00 60.65 59.26 1de3 s ILE 134 Cb -0.00 -1.14 -0.02 0.00 -1.06 0.00 0.00 42.46 40.24 1de3 s ILE 134 CO -0.00 0.39 -0.11 0.27 -0.10 0.00 0.00 174.94 175.38 1de3 s ILE 135 N 1.65 3.27 0.06 2.92 -4.36 0.54 -0.38 121.20 124.90 1de3 s ILE 135 Ca 0.05 -0.62 0.04 0.00 -0.26 0.00 0.00 60.65 59.86 1de3 s ILE 135 Cb -0.13 -2.34 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 1de3 s ILE 135 CO -0.09 0.56 -0.12 0.00 0.24 0.00 0.00 174.94 175.54 1de3 s ALA 136 N -0.30 0.94 -0.08 2.27 0.00 -0.26 0.35 121.76 124.68 1de3 s ALA 136 Ca 0.03 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1de3 s ALA 136 Cb -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 1de3 s ALA 136 CO 0.03 0.10 1.13 -1.01 0.00 0.00 0.00 175.76 176.01 1de3 s HIS 137 N -1.30 3.29 -0.04 0.00 3.76 -1.22 0.29 115.29 120.07 1de3 s HIS 137 Ca -0.05 1.34 -0.01 0.00 -0.15 0.00 0.00 55.06 56.19 1de3 s HIS 137 Cb -0.10 -3.34 -0.02 0.00 1.11 0.00 0.00 32.58 30.23 1de3 s HIS 137 CO 0.02 -0.94 2.26 0.25 -0.85 0.00 0.00 174.74 175.48 1de3 n THR 138 N 4.66 2.25 -2.66 1.30 -2.24 -1.25 -3.98 114.28 112.36 1de3 n THR 138 Ca 0.10 -0.80 -0.03 0.00 -2.27 0.00 0.00 64.05 61.05 1de3 n THR 138 Cb 0.47 -1.56 0.04 0.00 -2.10 0.00 0.00 70.33 67.18 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 1.54 0.05 0.00 -0.78 4.81 -1.24 -4.10 118.16 118.44 1de3 n LYS 139 Ca 0.10 -0.64 0.00 0.00 -0.87 0.00 0.00 58.31 56.90 1de3 n LYS 139 Cb 0.57 0.30 0.00 0.00 0.02 0.00 0.00 35.03 35.92 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 2.49 0.00 -0.70 1.64 -0.58 0.48 -0.91 120.64 123.06 1de3 n GLU 140 Ca 0.10 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.84 1de3 n GLU 140 Cb 0.66 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.52 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 3.26 -0.04 -4.07 1.62 4.13 -1.26 -4.62 115.26 114.28 1de3 n ASN 141 Ca 0.00 -1.59 -0.07 0.00 1.68 0.00 0.00 54.58 54.60 1de3 n ASN 141 Cb 0.00 -0.05 -0.10 0.00 -1.54 0.00 0.00 39.78 38.09 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 0.00 0.60 0.00 3.52 -0.44 -0.09 -4.92 119.66 118.33 1de3 s GLN 142 Ca 0.04 -1.17 0.00 0.00 -2.50 0.00 0.00 55.36 51.73 1de3 s GLN 142 Cb 0.05 0.21 0.00 0.00 -1.64 0.00 0.00 33.01 31.62 1de3 s GLN 142 CO -0.02 -0.11 0.00 0.41 0.50 0.00 0.00 175.29 176.07 1de3 n GLY 143 N 0.21 -0.01 3.69 2.59 0.00 -1.26 -3.59 105.19 106.83 1de3 n GLY 143 Ca -0.15 -1.72 -0.64 0.00 0.00 0.00 0.00 46.02 43.51 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 0.13 0.19 -2.10 1.61 4.71 -1.26 -4.58 120.64 119.34 1de3 n GLU 144 Ca 0.00 0.07 -0.42 0.00 -0.01 0.00 0.00 57.16 56.80 1de3 n GLU 144 Cb 0.00 -1.60 -0.03 0.00 -1.01 0.00 0.00 31.44 28.80 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 2.43 4.32 -0.32 -4.62 1.02 -1.26 -3.82 118.68 116.43 1de3 s LEU 145 Ca 1.01 2.20 -0.18 0.00 0.02 0.00 0.00 54.13 57.17 1de3 s LEU 145 Cb -1.38 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 41.27 1de3 s LEU 145 CO 0.74 -0.84 0.54 -0.75 0.02 0.00 0.00 176.35 176.06 1de3 s LYS 146 N 3.19 3.81 -0.73 1.70 2.36 0.14 -4.78 119.74 125.43 1de3 s LYS 146 Ca 0.69 0.07 -0.25 0.00 -2.55 0.00 0.00 55.97 53.93 1de3 s LYS 146 Cb -0.33 -3.75 -0.15 0.00 -1.05 0.00 0.00 37.83 32.55 1de3 s LYS 146 CO 0.28 -0.55 2.44 -0.11 1.55 0.00 0.00 175.35 178.96 1de3 n LEU 147 N 5.72 1.34 -4.44 5.43 7.94 -1.26 -1.10 117.00 130.62 1de3 n LEU 147 Ca -0.04 -0.66 -0.38 0.00 -1.11 0.00 0.00 56.01 53.82 1de3 n LEU 147 Cb 0.49 -1.36 0.03 0.00 0.53 0.00 0.00 43.42 43.12 1de3 n LEU 147 CO 0.44 -1.70 -0.02 0.00 -1.11 0.00 0.00 177.39 175.00 1de3 s SER 149 N -1.16 0.51 0.00 0.00 0.01 -0.81 -4.70 113.70 107.55 1de3 s SER 149 Ca 0.67 -0.07 0.28 0.00 1.31 0.00 0.00 55.95 58.14 1de3 s SER 149 Cb -0.45 -0.13 1.03 0.00 0.21 0.00 0.00 66.02 66.68 1de3 s SER 149 CO 0.56 0.01 1.74 0.00 0.41 0.00 0.00 173.24 175.95