#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 0.00-10.22 -2.51 0.00 0.31 -1.26 -1.97 118.33 102.69 1de3 n VAL 2 Ca 0.00 1.80 -0.40 0.00 -0.01 0.00 0.00 64.34 65.73 1de3 n VAL 2 Cb 0.00 -6.02 -0.03 0.00 -0.91 0.00 0.00 33.84 26.88 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 -1.20 3.82 -0.64 2.52 2.01 -1.26 -1.98 115.64 118.91 1de3 s THR 3 Ca -0.08 -0.44 -0.27 0.00 0.31 0.00 0.00 61.69 61.21 1de3 s THR 3 Cb 0.01 -4.92 0.03 0.00 0.01 0.00 0.00 72.50 67.63 1de3 s THR 3 CO 0.63 -1.82 1.20 0.26 -0.69 0.00 0.00 174.62 174.20 1de3 s TRP 4 N 5.64 2.50 -0.31 4.92 0.52 0.10 -3.88 118.94 128.43 1de3 s TRP 4 Ca 0.46 0.17 -0.08 0.00 0.02 0.00 0.00 56.10 56.67 1de3 s TRP 4 Cb -0.03 -4.52 0.01 0.00 -1.15 0.00 0.00 33.47 27.78 1de3 s TRP 4 CO -0.03 -1.76 0.11 0.99 0.02 0.00 0.00 176.95 176.29 1de3 s THR 5 N 5.15 4.16 -0.13 2.01 2.01 -0.66 0.31 115.64 128.50 1de3 s THR 5 Ca 0.38 -0.70 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 1de3 s THR 5 Cb -0.08 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 1de3 s THR 5 CO 0.20 0.01 0.18 0.00 -0.69 0.00 0.00 174.62 174.33 1de3 s LEU 7 N -0.48 6.13 0.32 0.00 1.43 -1.26 0.72 118.68 125.55 1de3 s LEU 7 Ca 0.14 -3.20 -0.13 0.00 -1.03 0.00 0.00 54.13 49.91 1de3 s LEU 7 Cb -0.12 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 1de3 s LEU 7 CO 0.03 -0.37 0.71 0.20 0.23 0.00 0.00 176.35 177.15 1de3 s ASN 8 N 1.18 6.69 0.18 2.29 -0.87 -1.15 -4.58 114.94 118.69 1de3 s ASN 8 Ca 0.24 1.18 -0.09 0.00 -1.57 0.00 0.00 52.86 52.61 1de3 s ASN 8 Cb -0.11 -2.33 -0.07 0.00 -0.02 0.00 0.00 41.25 38.72 1de3 s ASN 8 CO -0.08 -0.22 0.49 -0.62 -2.57 0.00 0.00 177.10 174.10 1de3 s ASP 9 N -2.47 6.61 -0.11 -1.22 -1.08 -1.24 -0.98 116.67 116.18 1de3 s ASP 9 Ca 0.52 0.84 -0.05 0.00 -0.52 0.00 0.00 52.55 53.35 1de3 s ASP 9 Cb -0.10 -2.19 0.06 0.00 -1.46 0.00 0.00 42.92 39.22 1de3 s ASP 9 CO 0.21 0.00 0.24 -1.10 0.52 0.00 0.00 175.17 175.04 1de3 s GLN 10 N -2.59 0.13 -0.77 4.34 -0.21 0.11 -0.26 119.66 120.42 1de3 s GLN 10 Ca 0.43 0.66 -0.25 0.00 0.02 0.00 0.00 55.36 56.22 1de3 s GLN 10 Cb -0.12 -0.10 0.04 0.00 1.00 0.00 0.00 33.01 33.83 1de3 s GLN 10 CO 0.21 -0.26 1.24 0.21 -2.12 0.00 0.00 175.29 174.57 1de3 s LYS 11 N 2.14 3.24 0.19 2.91 2.20 -1.26 0.08 119.74 129.24 1de3 s LYS 11 Ca -0.01 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 54.80 1de3 s LYS 11 Cb -0.12 -4.36 -0.08 0.00 -1.51 0.00 0.00 37.83 31.76 1de3 s LYS 11 CO -0.08 -2.09 1.23 1.21 -0.36 0.00 0.00 175.35 175.26 1de3 s ASN 12 N 3.89 7.04 0.32 1.43 2.47 0.05 -4.90 114.94 125.22 1de3 s ASN 12 Ca 0.34 2.28 0.16 0.00 0.42 0.00 0.00 52.86 56.06 1de3 s ASN 12 Cb -0.08 -2.61 0.42 0.00 -1.45 0.00 0.00 41.25 37.52 1de3 s ASN 12 CO 0.10 -0.41 1.61 1.55 -3.72 0.00 0.00 177.10 176.23 1de3 h PRO 13 N 5.28 0.00 0.68 0.43 0.13 -1.94 0.26 132.00 136.84 1de3 h PRO 13 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1de3 h PRO 13 Cb 1.21 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 1de3 h PRO 13 CO 0.75 0.48 -0.32 -0.22 -0.23 0.00 0.00 178.00 178.46 1de3 h LYS 14 N 0.00 -0.87 0.00 0.86 3.11 -1.95 -3.21 116.57 114.51 1de3 h LYS 14 Ca -0.00 0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1de3 h LYS 14 Cb 1.12 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1de3 h LYS 14 CO 0.06 -0.56 -0.08 1.79 -2.81 0.00 0.00 179.45 177.86 1de3 h THR 15 N -1.18 0.00 -0.48 1.00 1.35 -1.98 -3.47 112.91 108.15 1de3 h THR 15 Ca -0.09 -0.87 -0.21 0.00 -0.55 0.00 0.00 66.41 64.69 1de3 h THR 15 Cb 0.72 1.83 -0.08 0.00 -1.73 0.00 0.00 68.15 68.89 1de3 h THR 15 CO 0.15 0.00 -0.19 -3.20 -0.25 0.00 0.00 175.52 172.03 1de3 n ASN 16 N -2.87 -5.60 -4.47 5.36 5.15 0.91 -4.94 115.26 108.80 1de3 n ASN 16 Ca 0.04 0.25 -0.24 0.00 -0.60 0.00 0.00 54.58 54.03 1de3 n ASN 16 Cb 0.51 -3.99 -0.10 0.00 -0.53 0.00 0.00 39.78 35.67 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 -2.80 1.68 0.01 1.20 2.20 -1.15 -4.86 119.74 116.02 1de3 s LYS 17 Ca 0.00 -1.75 -0.27 0.00 -0.36 0.00 0.00 55.97 53.60 1de3 s LYS 17 Cb 0.00 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.49 1de3 s LYS 17 CO 0.00 0.33 0.83 0.71 -0.36 0.00 0.00 175.35 176.87 1de3 s TYR 18 N -2.46 3.68 0.10 4.03 2.02 -1.26 -0.77 117.35 122.69 1de3 s TYR 18 Ca 0.30 1.51 0.08 0.00 -0.37 0.00 0.00 57.07 58.59 1de3 s TYR 18 Cb -0.05 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.55 1de3 s TYR 18 CO 0.15 0.14 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.85 1de3 s GLU 19 N 0.48 1.10 -0.79 -0.62 2.02 0.11 -4.88 118.70 116.13 1de3 s GLU 19 Ca 0.43 -1.15 -0.11 0.00 0.02 0.00 0.00 54.97 54.16 1de3 s GLU 19 Cb -0.20 -1.33 0.21 0.00 0.10 0.00 0.00 34.13 32.90 1de3 s GLU 19 CO 0.24 0.31 0.70 0.99 0.02 0.00 0.00 175.26 177.51 1de3 s THR 20 N -1.21 5.11 0.96 3.63 2.01 -1.26 0.07 115.64 124.96 1de3 s THR 20 Ca 0.06 -2.67 -0.12 0.00 0.31 0.00 0.00 61.69 59.27 1de3 s THR 20 Cb -0.10 -4.19 0.17 0.00 0.01 0.00 0.00 72.50 68.39 1de3 s THR 20 CO 0.04 -1.00 1.09 -0.54 -0.69 0.00 0.00 174.62 173.53 1de3 s LYS 21 N 0.01 0.71 -0.47 4.92 -0.14 -0.16 -4.86 119.74 119.75 1de3 s LYS 21 Ca 0.18 0.60 -0.01 0.00 -1.36 0.00 0.00 55.97 55.39 1de3 s LYS 21 Cb -0.13 -1.76 0.12 0.00 -1.68 0.00 0.00 37.83 34.39 1de3 s LYS 21 CO -0.08 -2.56 0.25 1.03 -0.76 0.00 0.00 175.35 173.23 1de3 s ARG 22 N -4.97 2.06 -0.95 1.68 0.52 -1.26 -2.91 118.95 113.12 1de3 s ARG 22 Ca 0.65 -2.12 -0.21 0.00 -0.52 0.00 0.00 55.73 53.53 1de3 s ARG 22 Cb -0.18 -3.53 0.09 0.00 0.52 0.00 0.00 34.95 31.85 1de3 s ARG 22 CO 0.57 -1.08 1.26 -0.51 0.02 0.00 0.00 175.30 175.56 1de3 s LEU 23 N 0.61 4.34 -0.11 2.53 1.02 0.22 -4.89 118.68 122.39 1de3 s LEU 23 Ca 0.12 -1.71 -0.30 0.00 0.02 0.00 0.00 54.13 52.26 1de3 s LEU 23 Cb -0.22 -2.47 -0.02 0.00 0.02 0.00 0.00 46.19 43.50 1de3 s LEU 23 CO -0.04 -1.28 1.18 -0.22 0.02 0.00 0.00 176.35 176.00 1de3 s LEU 24 N 3.77 4.22 -0.06 1.79 1.98 -1.26 0.23 118.68 129.35 1de3 s LEU 24 Ca 0.38 1.69 0.05 0.00 -2.89 0.00 0.00 54.13 53.36 1de3 s LEU 24 Cb -0.03 -3.55 -0.01 0.00 0.66 0.00 0.00 46.19 43.26 1de3 s LEU 24 CO -0.08 -0.63 -0.22 -0.31 -1.89 0.00 0.00 176.35 173.21 1de3 s TYR 25 N 2.70 2.22 -0.29 5.38 1.51 0.15 -4.78 117.35 124.23 1de3 s TYR 25 Ca 0.53 -0.71 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 1de3 s TYR 25 Cb -0.22 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1de3 s TYR 25 CO 0.17 -0.24 0.61 1.21 -1.11 0.00 0.00 175.55 176.18 1de3 s ASN 26 N 0.02 6.49 0.41 2.29 3.04 -1.26 0.01 114.94 125.95 1de3 s ASN 26 Ca -0.07 0.48 0.10 0.00 0.04 0.00 0.00 52.86 53.41 1de3 s ASN 26 Cb -0.14 -2.32 0.92 0.00 -1.54 0.00 0.00 41.25 38.16 1de3 s ASN 26 CO 0.04 -0.43 2.01 -0.61 -3.04 0.00 0.00 177.10 175.08 1de3 h GLN 27 N 8.11 0.51 -0.63 0.43 -0.00 -0.74 -0.57 115.11 122.21 1de3 h GLN 27 Ca -0.27 -0.03 0.18 0.00 -0.00 0.00 0.00 58.65 58.53 1de3 h GLN 27 Cb 1.12 -0.11 -0.03 0.00 0.00 0.00 0.00 27.48 28.46 1de3 h GLN 27 CO 0.78 0.34 0.65 -0.97 0.00 0.00 0.00 178.83 179.63 1de3 h ASN 28 N 0.52 0.00 0.23 -0.69 -0.73 -1.78 0.82 115.58 113.96 1de3 h ASN 28 Ca 0.23 0.00 -0.34 0.00 1.87 0.00 0.00 56.30 58.06 1de3 h ASN 28 Cb 0.25 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.81 1de3 h ASN 28 CO -0.06 0.00 -1.93 0.29 -0.37 0.00 0.00 177.43 175.35 1de3 n LYS 29 N -3.66 0.71 -0.04 6.67 4.01 -0.25 -3.25 118.16 122.35 1de3 n LYS 29 Ca 0.13 0.26 -0.13 0.00 -0.51 0.00 0.00 58.31 58.06 1de3 n LYS 29 Cb 0.88 -1.73 -0.08 0.00 -0.51 0.00 0.00 35.03 33.60 1de3 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1de3 h ALA 30 N 0.38 0.13 -0.77 7.82 0.00 -0.21 1.04 119.26 127.67 1de3 h ALA 30 Ca -0.39 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.39 1de3 h ALA 30 Cb 2.03 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 1de3 h ALA 30 CO 0.08 -0.10 0.50 1.05 0.00 0.00 0.00 179.25 180.78 1de3 h GLU 31 N -0.16 0.59 0.11 0.00 -0.00 0.29 0.17 114.58 115.58 1de3 h GLU 31 Ca 0.02 -0.04 -0.31 0.00 -0.00 0.00 0.00 59.36 59.03 1de3 h GLU 31 Cb 0.49 -0.13 -0.01 0.00 -0.00 0.00 0.00 28.75 29.09 1de3 h GLU 31 CO 0.01 0.39 -1.66 1.03 -0.00 0.00 0.00 179.01 178.78 1de3 h SER 32 N 0.61 0.36 -0.84 3.06 0.87 -1.45 -1.81 113.55 114.34 1de3 h SER 32 Ca 0.36 -0.85 0.15 0.00 -1.23 0.00 0.00 61.79 60.23 1de3 h SER 32 Cb 0.58 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.36 1de3 h SER 32 CO -0.13 1.72 0.55 0.78 -0.53 0.00 0.00 176.83 179.21 1de3 h ASN 33 N -0.22 0.53 0.03 6.23 2.35 0.15 0.44 115.58 125.08 1de3 h ASN 33 Ca -0.36 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.35 1de3 h ASN 33 Cb 1.83 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 40.14 1de3 h ASN 33 CO 0.04 0.26 -0.30 0.77 -1.65 0.00 0.00 177.43 176.56 1de3 h SER 34 N 0.56 0.21 0.36 5.81 4.64 -0.72 -1.66 113.55 122.75 1de3 h SER 34 Ca 0.42 -0.88 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1de3 h SER 34 Cb 0.82 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1de3 h SER 34 CO -0.17 1.07 0.00 1.41 -0.87 0.00 0.00 176.83 178.27 1de3 n HIS 35 N -4.46 0.28 -0.03 4.77 8.25 -0.19 -2.75 115.22 121.09 1de3 n HIS 35 Ca -0.11 0.12 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1de3 n HIS 35 Cb 0.57 -0.69 -0.01 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.76 0.22 -1.43 4.41 -0.00 0.14 -4.97 115.22 111.82 1de3 n HIS 36 Ca 0.02 0.10 -0.45 0.00 -0.00 0.00 0.00 57.72 57.38 1de3 n HIS 36 Cb 0.12 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.99 29.75 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 -2.99 -2.15 -1.92 1.57 0.00 -0.63 -4.87 120.51 109.53 1de3 n ALA 37 Ca -0.04 0.33 -0.41 0.00 0.00 0.00 0.00 53.44 53.32 1de3 n ALA 37 Cb 0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 17.87 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 -1.21 4.43 -1.20 0.00 0.04 -1.26 -4.91 135.00 130.89 1de3 s PRO 38 Ca 0.62 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 63.49 1de3 s PRO 38 Cb -0.78 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 30.63 1de3 s PRO 38 CO 0.58 -0.15 1.70 -0.51 0.04 0.00 0.00 177.00 178.66 1de3 s LEU 39 N -0.72 3.63 0.09 -3.56 1.43 -1.26 -4.27 118.68 114.01 1de3 s LEU 39 Ca 0.53 -2.02 -0.26 0.00 -1.03 0.00 0.00 54.13 51.35 1de3 s LEU 39 Cb -0.36 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.36 1de3 s LEU 39 CO 0.42 -1.55 0.77 -0.94 0.23 0.00 0.00 176.35 175.28 1de3 s SER 40 N 4.86 -0.42 -0.13 2.29 1.04 -1.26 -5.00 113.70 115.08 1de3 s SER 40 Ca 0.54 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 1de3 s SER 40 Cb 0.02 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1de3 s SER 40 CO 0.04 -0.82 0.03 -0.62 0.98 0.00 0.00 173.24 172.84 1de3 s ASP 41 N -2.65 5.40 -1.24 7.02 2.15 -0.96 -3.89 116.67 122.50 1de3 s ASP 41 Ca 0.04 0.11 -0.12 0.00 0.43 0.00 0.00 52.55 53.02 1de3 s ASP 41 Cb -0.01 -1.73 0.02 0.00 -0.30 0.00 0.00 42.92 40.89 1de3 s ASP 41 CO -0.09 0.29 0.23 0.61 -0.17 0.00 0.00 175.17 176.04 1de3 n GLY 42 N 2.77 -0.35 1.97 2.66 0.00 -1.17 -4.32 105.19 106.75 1de3 n GLY 42 Ca -0.18 0.21 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.32 1.20 -4.04 1.61 4.81 -1.26 -4.99 118.16 111.18 1de3 n LYS 43 Ca -0.21 -2.94 -0.10 0.00 -0.87 0.00 0.00 58.31 54.19 1de3 n LYS 43 Cb 0.56 -1.02 -0.06 0.00 0.02 0.00 0.00 35.03 34.53 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 -2.28 0.00 0.01 3.15 2.01 -1.26 -5.00 115.64 112.28 1de3 s THR 44 Ca 0.33 -1.52 -0.06 0.00 0.31 0.00 0.00 61.69 60.75 1de3 s THR 44 Cb 0.36 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.56 1de3 s THR 44 CO -0.09 0.00 1.09 1.23 -0.69 0.00 0.00 174.62 176.16 1de3 h GLY 45 N 2.31 -0.99 2.00 4.40 0.00 -1.49 -1.35 103.07 107.95 1de3 h GLY 45 Ca -0.28 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1de3 h GLY 45 CO 0.39 -0.35 0.00 -1.14 0.00 0.00 0.00 176.54 175.43 1de3 n SER 46 N -2.85 0.19 0.00 0.19 3.41 0.70 -3.96 113.62 111.29 1de3 n SER 46 Ca -0.02 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 1de3 n SER 46 Cb 0.07 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 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 -1.74 -2.16 -4.51 4.04 2.88 -0.51 -5.05 113.62 106.57 1de3 n SER 47 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.24 1de3 n SER 47 Cb 0.06 -0.40 -0.12 0.00 -0.75 0.00 0.00 64.21 63.01 1de3 n SER 47 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1de3 s TYR 48 N -2.00 2.66 0.18 0.66 2.02 -1.26 -3.41 117.35 116.20 1de3 s TYR 48 Ca 0.00 -0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 1de3 s TYR 48 Cb 0.00 -1.48 -0.08 0.00 -0.40 0.00 0.00 41.96 40.00 1de3 s TYR 48 CO 0.00 0.32 0.93 -1.25 -1.57 0.00 0.00 175.55 173.98 1de3 s PRO 49 N -1.63 4.76 0.25 -1.71 0.04 -1.25 -4.54 135.00 130.92 1de3 s PRO 49 Ca 0.17 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 1de3 s PRO 49 Cb -0.11 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1de3 s PRO 49 CO 0.08 0.40 0.46 -3.38 0.04 0.00 0.00 177.00 174.59 1de3 s HIS 50 N -0.68 3.48 0.06 0.56 -3.43 -1.15 -3.04 115.29 111.09 1de3 s HIS 50 Ca 0.43 0.39 -0.31 0.00 -0.80 0.00 0.00 55.06 54.77 1de3 s HIS 50 Cb -0.24 -1.90 -0.07 0.00 -1.43 0.00 0.00 32.58 28.94 1de3 s HIS 50 CO 0.30 0.29 1.38 -0.46 -2.00 0.00 0.00 174.74 174.25 1de3 s TRP 51 N -2.01 3.07 -0.74 0.38 -0.00 -1.26 -1.49 118.94 116.90 1de3 s TRP 51 Ca 0.40 0.91 -0.15 0.00 -0.00 0.00 0.00 56.10 57.26 1de3 s TRP 51 Cb -0.11 -3.66 0.19 0.00 -0.00 0.00 0.00 33.47 29.90 1de3 s TRP 51 CO 0.30 -2.35 0.69 0.12 -0.00 0.00 0.00 176.95 175.72 1de3 s PHE 52 N 1.69 3.58 0.50 5.86 5.36 0.09 -4.84 117.98 130.22 1de3 s PHE 52 Ca 0.64 -1.74 0.40 0.00 -0.96 0.00 0.00 56.93 55.26 1de3 s PHE 52 Cb -0.34 -3.83 1.59 0.00 -0.34 0.00 0.00 43.02 40.10 1de3 s PHE 52 CO 0.29 -1.02 1.60 1.79 -1.46 0.00 0.00 175.22 176.42 1de3 h THR 53 N 5.16 0.06 -3.45 0.12 1.35 -1.87 -3.41 112.91 110.87 1de3 h THR 53 Ca -0.02 -0.01 -0.38 0.00 -0.55 0.00 0.00 66.41 65.45 1de3 h THR 53 Cb 1.06 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.50 1de3 h THR 53 CO 0.86 0.00 -0.50 -3.20 -0.25 0.00 0.00 175.52 172.43 1de3 n ASN 54 N -4.35 -5.43 0.00 5.36 2.85 -1.26 -0.21 115.26 112.22 1de3 n ASN 54 Ca 0.40 -0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 1de3 n ASN 54 Cb 1.71 -4.52 0.00 0.00 1.24 0.00 0.00 39.78 38.21 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 -1.04 2.88 3.30 8.20 0.00 -1.26 -3.97 105.19 113.30 1de3 n GLY 55 Ca -0.20 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1de3 n GLY 55 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1de3 n TYR 56 N 0.00 -1.41 0.01 1.61 4.01 0.70 -3.99 117.16 118.10 1de3 n TYR 56 Ca 0.00 0.13 0.08 0.00 -0.16 0.00 0.00 57.90 57.95 1de3 n TYR 56 Cb 0.00 -1.58 -0.12 0.00 -0.31 0.00 0.00 39.34 37.32 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 -1.83 1.35 0.00 7.72 9.92 0.23 -4.79 116.55 129.15 1de3 n ASP 57 Ca 0.01 -0.02 0.00 0.00 -0.53 0.00 0.00 54.79 54.25 1de3 n ASP 57 Cb 0.61 1.71 0.00 0.00 -0.64 0.00 0.00 41.12 42.80 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 1.59 0.70 0.00 0.44 0.00 -1.26 -5.05 105.19 101.61 1de3 n GLY 58 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1de3 n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1de3 n ASP 59 N 0.00 0.00 -0.98 1.61 5.68 -1.26 -2.85 116.55 118.75 1de3 n ASP 59 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 54.79 54.26 1de3 n ASP 59 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de3 n GLY 60 N 2.79 0.70 3.47 6.12 0.00 -1.26 -2.94 105.19 114.07 1de3 n GLY 60 Ca 0.00 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 2.82 0.18 1.61 -0.14 -1.26 -4.97 119.74 117.97 1de3 s LYS 61 Ca 0.07 -0.66 0.08 0.00 -1.36 0.00 0.00 55.97 54.10 1de3 s LYS 61 Cb 0.09 -2.50 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 1de3 s LYS 61 CO -0.04 0.51 -0.04 -0.51 -0.76 0.00 0.00 175.35 174.51 1de3 s LEU 62 N -0.42 3.16 0.00 3.17 1.02 -1.26 0.78 118.68 125.13 1de3 s LEU 62 Ca 0.05 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.73 1de3 s LEU 62 Cb -0.12 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.26 1de3 s LEU 62 CO 0.02 0.10 0.00 -0.81 0.02 0.00 0.00 176.35 175.68 1de3 n PRO 63 N -0.04 0.75 -1.19 1.29 -0.04 -1.26 -4.82 135.00 129.70 1de3 n PRO 63 Ca -0.10 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.01 1de3 n PRO 63 Cb 0.55 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 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 -0.19 2.69 0.00 0.54 4.81 -1.26 -3.62 118.16 121.13 1de3 n LYS 64 Ca 0.00 -1.99 0.00 0.00 -0.87 0.00 0.00 58.31 55.45 1de3 n LYS 64 Cb 0.00 -2.80 0.00 0.00 0.02 0.00 0.00 35.03 32.25 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 3.89 -1.58 3.59 3.14 0.00 -1.26 -5.12 105.19 107.85 1de3 n GLY 65 Ca 0.58 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 46.71 1de3 n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1de3 s ARG 66 N 0.00 3.20 -0.37 1.61 3.00 -1.24 -4.87 118.95 120.27 1de3 s ARG 66 Ca 0.00 1.51 0.12 0.00 0.00 0.00 0.00 55.73 57.37 1de3 s ARG 66 Cb 0.00 -4.26 0.37 0.00 0.00 0.00 0.00 34.95 31.05 1de3 s ARG 66 CO 0.00 -2.02 0.83 -2.37 0.00 0.00 0.00 175.30 171.74 1de3 n THR 67 N 7.51 0.04 -2.30 0.02 5.66 -1.26 -5.10 114.28 118.85 1de3 n THR 67 Ca 0.25 -3.88 -0.43 0.00 -3.05 0.00 0.00 64.05 56.94 1de3 n THR 67 Cb 0.47 0.14 -0.02 0.00 -1.55 0.00 0.00 70.33 69.36 1de3 n THR 67 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1de3 s PRO 68 N -2.14 3.54 -0.47 1.09 0.04 -1.25 -4.75 135.00 131.05 1de3 s PRO 68 Ca 0.35 1.02 -0.43 0.00 0.04 0.00 0.00 61.00 61.98 1de3 s PRO 68 Cb 0.36 -4.05 -0.18 0.00 0.04 0.00 0.00 34.50 30.67 1de3 s PRO 68 CO -0.06 -1.61 1.77 -0.89 0.04 0.00 0.00 177.00 176.26 1de3 n ILE 69 N 7.12 0.00 -2.83 0.56 5.41 -1.26 -4.84 119.36 123.52 1de3 n ILE 69 Ca 0.17 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.50 1de3 n ILE 69 Cb 0.48 -0.47 -0.04 0.00 -0.71 0.00 0.00 39.64 38.90 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 4.29 3.70 0.26 0.38 2.20 -1.26 -4.88 119.74 124.42 1de3 s LYS 70 Ca 1.06 0.36 0.22 0.00 -0.36 0.00 0.00 55.97 57.26 1de3 s LYS 70 Cb -1.41 -3.86 0.08 0.00 -1.51 0.00 0.00 37.83 31.13 1de3 s LYS 70 CO 0.69 -1.05 1.19 0.74 -0.36 0.00 0.00 175.35 176.56 1de3 h PHE 71 N 8.73 0.00 0.00 4.03 0.04 -1.94 -3.48 116.94 124.32 1de3 h PHE 71 Ca -0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1de3 h PHE 71 Cb 1.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.23 1de3 h PHE 71 CO 0.84 0.03 0.00 0.41 -0.60 0.00 0.00 178.31 178.99 1de3 n GLY 72 N 1.17 0.73 0.00 -1.45 0.00 -1.26 -5.04 105.19 99.35 1de3 n GLY 72 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.41 1.96 0.00 1.61 4.76 -1.26 -5.09 118.16 118.73 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 0.28 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.47 1de3 n LYS 73 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1de3 n SER 74 N -1.61 3.44 0.02 4.39 2.88 -1.26 -4.47 113.62 117.01 1de3 n SER 74 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1de3 n SER 74 Cb 0.00 0.02 -0.13 0.00 -0.75 0.00 0.00 64.21 63.35 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 0.01 -0.09 -3.46 5.19 -1.98 -0.62 116.42 115.47 1de3 h ASP 75 Ca 0.00 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.27 1de3 h ASP 75 Cb 0.85 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.35 1de3 h ASP 75 CO 0.00 1.02 -0.33 0.00 -3.12 0.00 0.00 179.24 176.80 1de3 h ASP 77 N 0.49 0.00 -3.12 0.00 1.82 -1.78 -3.48 116.42 110.35 1de3 h ASP 77 Ca 0.06 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.17 1de3 h ASP 77 Cb 0.81 0.00 0.22 0.00 0.68 0.00 0.00 39.33 41.04 1de3 h ASP 77 CO 0.07 0.70 -0.78 -2.11 -1.61 0.00 0.00 179.24 175.50 1de3 n ARG 78 N -3.15 -0.40 -2.34 0.28 -4.01 -0.24 -4.91 116.66 101.90 1de3 n ARG 78 Ca -0.03 -0.08 -0.43 0.00 -1.04 0.00 0.00 57.85 56.27 1de3 n ARG 78 Cb 0.85 -1.74 -0.02 0.00 -3.04 0.00 0.00 32.46 28.50 1de3 n ARG 78 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 1de3 s PRO 79 N -3.43 3.66 0.39 2.89 0.04 -1.26 -4.98 135.00 132.30 1de3 s PRO 79 Ca 0.55 1.08 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 1de3 s PRO 79 Cb -0.19 -4.00 -0.09 0.00 0.04 0.00 0.00 34.50 30.26 1de3 s PRO 79 CO 0.69 -1.46 1.09 -1.25 0.04 0.00 0.00 177.00 176.11 1de3 s PRO 80 N 4.77 4.16 -0.93 0.56 0.04 -1.15 -4.89 135.00 137.56 1de3 s PRO 80 Ca 0.62 1.64 -0.08 0.00 0.04 0.00 0.00 61.00 63.22 1de3 s PRO 80 Cb -0.15 -2.64 0.24 0.00 0.04 0.00 0.00 34.50 31.98 1de3 s PRO 80 CO 0.30 -0.17 0.87 0.21 0.04 0.00 0.00 177.00 178.25 1de3 s LYS 81 N -2.34 3.64 0.37 4.56 2.47 -1.26 -4.12 119.74 123.07 1de3 s LYS 81 Ca 0.57 -2.97 -0.24 0.00 -1.56 0.00 0.00 55.97 51.76 1de3 s LYS 81 Cb -0.26 -4.28 -0.10 0.00 -1.46 0.00 0.00 37.83 31.73 1de3 s LYS 81 CO 0.32 -1.25 0.97 -1.58 0.16 0.00 0.00 175.35 173.97 1de3 s HIS 82 N -0.80 3.49 0.17 4.03 5.65 -1.13 -3.92 115.29 122.77 1de3 s HIS 82 Ca 0.25 1.70 0.01 0.00 0.25 0.00 0.00 55.06 57.27 1de3 s HIS 82 Cb -0.10 -2.95 -0.00 0.00 -1.18 0.00 0.00 32.58 28.35 1de3 s HIS 82 CO -0.09 -0.06 0.02 0.43 -0.65 0.00 0.00 174.74 174.39 1de3 n SER 83 N 0.08 1.91 0.00 9.88 7.64 -1.26 -4.90 113.62 126.96 1de3 n SER 83 Ca 0.04 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1de3 n SER 83 Cb 0.51 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1de3 n SER 83 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1de3 n LYS 84 N -0.41 0.00 -0.75 1.43 3.00 -1.26 -0.80 118.16 119.36 1de3 n LYS 84 Ca -0.05 0.69 -0.05 0.00 -0.00 0.00 0.00 58.31 58.89 1de3 n LYS 84 Cb 0.23 -1.29 0.22 0.00 0.00 0.00 0.00 35.03 34.19 1de3 n LYS 84 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1de3 n ASP 85 N -2.00 4.01 -3.82 3.14 5.68 -1.26 -4.92 116.55 117.37 1de3 n ASP 85 Ca 0.00 -2.89 -0.26 0.00 -0.50 0.00 0.00 54.79 51.14 1de3 n ASP 85 Cb 0.00 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.30 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1de3 n GLY 86 N -0.07 -1.29 1.75 6.12 0.00 0.02 -3.18 105.19 108.55 1de3 n GLY 86 Ca 0.30 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.92 1de3 n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1de3 n ASN 87 N -2.62 0.00 0.00 1.61 5.15 -1.26 -2.27 115.26 115.87 1de3 n ASN 87 Ca -0.32 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 1de3 n ASN 87 Cb 0.69 0.17 0.00 0.00 -0.53 0.00 0.00 39.78 40.11 1de3 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1de3 n GLY 88 N 0.34 1.51 0.06 8.20 0.00 -1.26 -1.85 105.19 112.20 1de3 n GLY 88 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 13.35 0.92 -2.68 1.61 0.00 -1.26 -4.70 118.16 125.40 1de3 n LYS 89 Ca 0.00 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.31 58.23 1de3 n LYS 89 Cb 0.00 -1.46 0.11 0.00 -0.00 0.00 0.00 35.03 33.68 1de3 n LYS 89 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1de3 n THR 90 N -2.51 0.30 -1.27 0.58 5.66 -1.24 -5.14 114.28 110.65 1de3 n THR 90 Ca -0.21 -1.44 -0.39 0.00 -3.05 0.00 0.00 64.05 58.96 1de3 n THR 90 Cb 0.90 1.07 0.01 0.00 -1.55 0.00 0.00 70.33 70.76 1de3 n THR 90 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1de3 n ASP 91 N -1.30 -3.40 -2.69 1.09 9.92 -0.77 -4.94 116.55 114.46 1de3 n ASP 91 Ca -0.12 0.67 -0.07 0.00 -0.53 0.00 0.00 54.79 54.73 1de3 n ASP 91 Cb 0.86 -0.88 0.11 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.52 -1.91 -3.28 1.24 1.44 -1.25 -4.34 115.22 105.60 1de3 n HIS 92 Ca 0.08 -2.05 -0.24 0.00 -2.01 0.00 0.00 57.72 53.50 1de3 n HIS 92 Cb 0.47 1.30 -0.01 0.00 0.12 0.00 0.00 29.99 31.87 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 -0.32 3.48 -0.62 -1.40 -0.85 -1.26 -4.13 117.35 112.24 1de3 s TYR 93 Ca 0.23 0.37 -0.28 0.00 -0.52 0.00 0.00 57.07 56.87 1de3 s TYR 93 Cb 0.41 -1.97 0.02 0.00 0.38 0.00 0.00 41.96 40.80 1de3 s TYR 93 CO -0.07 0.04 1.35 -0.51 -1.52 0.00 0.00 175.55 174.84 1de3 s LEU 94 N -4.38 3.33 0.23 -3.49 1.43 -1.26 -3.82 118.68 110.73 1de3 s LEU 94 Ca 0.41 0.02 -0.08 0.00 -1.03 0.00 0.00 54.13 53.45 1de3 s LEU 94 Cb -0.10 -2.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.17 1de3 s LEU 94 CO 0.37 -1.74 0.53 -1.48 0.23 0.00 0.00 176.35 174.25 1de3 s LEU 95 N 5.91 4.16 -0.07 1.79 0.05 -0.92 -0.73 118.68 128.86 1de3 s LEU 95 Ca 0.46 0.83 0.03 0.00 0.05 0.00 0.00 54.13 55.51 1de3 s LEU 95 Cb -0.09 -3.60 0.00 0.00 -2.05 0.00 0.00 46.19 40.45 1de3 s LEU 95 CO 0.22 -0.08 -0.17 -1.83 -0.55 0.00 0.00 176.35 173.94 1de3 s GLU 96 N -2.94 2.09 0.01 1.48 -1.05 -0.55 -2.67 118.70 115.07 1de3 s GLU 96 Ca 0.46 -0.60 0.04 0.00 -0.15 0.00 0.00 54.97 54.72 1de3 s GLU 96 Cb -0.11 -1.69 -0.03 0.00 -0.44 0.00 0.00 34.13 31.85 1de3 s GLU 96 CO 0.23 0.13 -0.09 0.12 0.95 0.00 0.00 175.26 176.61 1de3 s PHE 97 N 0.39 2.83 -1.14 4.83 2.19 -0.47 -2.93 117.98 123.68 1de3 s PHE 97 Ca -0.13 -0.08 -0.22 0.00 0.33 0.00 0.00 56.93 56.84 1de3 s PHE 97 Cb -0.15 -1.59 -0.02 0.00 -1.31 0.00 0.00 43.02 39.95 1de3 s PHE 97 CO 0.05 0.35 1.82 -1.25 1.83 0.00 0.00 175.22 178.02 1de3 s PRO 98 N -1.41 3.06 0.16 10.12 0.04 -1.26 -0.57 135.00 145.14 1de3 s PRO 98 Ca 0.17 -1.22 -0.30 0.00 0.04 0.00 0.00 61.00 59.69 1de3 s PRO 98 Cb -0.11 -5.31 -0.08 0.00 0.04 0.00 0.00 34.50 29.05 1de3 s PRO 98 CO 0.07 -3.16 1.17 -0.08 0.04 0.00 0.00 177.00 175.04 1de3 s THR 99 N 8.19 3.71 0.04 1.26 -1.32 -1.16 -4.81 115.64 121.55 1de3 s THR 99 Ca 0.62 1.42 -0.00 0.00 -1.21 0.00 0.00 61.69 62.51 1de3 s THR 99 Cb -0.00 -3.91 -0.04 0.00 -1.51 0.00 0.00 72.50 67.04 1de3 s THR 99 CO 0.06 0.21 0.18 -0.36 -2.21 0.00 0.00 174.62 172.50 1de3 s PHE 100 N 0.06 3.47 0.03 9.09 0.40 -1.26 -4.57 117.98 125.19 1de3 s PHE 100 Ca 0.53 0.26 -0.17 0.00 -0.60 0.00 0.00 56.93 56.94 1de3 s PHE 100 Cb -0.31 -1.76 -0.27 0.00 0.51 0.00 0.00 43.02 41.19 1de3 s PHE 100 CO 0.35 0.60 1.09 -1.00 0.70 0.00 0.00 175.22 176.95 1de3 h PRO 101 N 3.39 0.53 -1.44 0.24 0.13 -1.91 -3.16 132.00 129.78 1de3 h PRO 101 Ca -0.47 -0.66 0.43 0.00 -0.87 0.00 0.00 66.00 64.44 1de3 h PRO 101 Cb 1.17 0.21 -0.09 0.00 0.13 0.00 0.00 31.00 32.42 1de3 h PRO 101 CO 0.72 1.27 0.99 -0.44 -0.23 0.00 0.00 178.00 180.31 1de3 h ASP 102 N 0.09 0.14 0.00 1.44 3.32 -1.96 -3.43 116.42 116.01 1de3 h ASP 102 Ca -0.14 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1de3 h ASP 102 Cb 1.66 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.25 1de3 h ASP 102 CO 0.18 -0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.26 1de3 n GLY 103 N -1.69 0.79 3.82 2.75 0.00 -1.20 -5.06 105.19 104.60 1de3 n GLY 103 Ca 0.35 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 3.64 -1.22 1.61 -3.43 -1.26 -4.98 115.29 107.64 1de3 s HIS 104 Ca 0.00 1.28 -0.19 0.00 -0.80 0.00 0.00 55.06 55.36 1de3 s HIS 104 Cb 0.00 -2.54 0.08 0.00 -1.43 0.00 0.00 32.58 28.69 1de3 s HIS 104 CO 0.00 0.38 1.63 0.16 -2.00 0.00 0.00 174.74 174.91 1de3 s ASP 105 N -1.64 6.79 0.17 7.38 1.47 -1.26 -4.47 116.67 125.10 1de3 s ASP 105 Ca 0.41 -2.28 -0.22 0.00 1.18 0.00 0.00 52.55 51.63 1de3 s ASP 105 Cb -0.16 -2.56 -0.13 0.00 -0.34 0.00 0.00 42.92 39.73 1de3 s ASP 105 CO 0.20 -1.20 0.39 0.00 0.68 0.00 0.00 175.17 175.25 1de3 n TYR 106 N 8.19 -0.45 -1.41 2.11 9.36 -1.26 -4.66 117.16 129.03 1de3 n TYR 106 Ca 0.44 0.75 -0.34 0.00 3.32 0.00 0.00 57.90 62.08 1de3 n TYR 106 Cb 0.47 -1.54 -0.08 0.00 -0.63 0.00 0.00 39.34 37.56 1de3 n TYR 106 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1de3 n LYS 107 N 0.80 1.02 0.00 2.98 2.85 -1.26 -4.62 118.16 119.94 1de3 n LYS 107 Ca 0.14 -1.88 0.10 0.00 -1.05 0.00 0.00 58.31 55.62 1de3 n LYS 107 Cb 0.20 -3.29 0.45 0.00 -0.65 0.00 0.00 35.03 31.74 1de3 n LYS 107 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1de3 n PHE 108 N 12.24 0.04 0.92 5.58 1.16 -1.26 -1.94 117.46 134.19 1de3 n PHE 108 Ca 0.46 0.01 0.11 0.00 -1.87 0.00 0.00 57.45 56.16 1de3 n PHE 108 Cb 0.44 -0.52 -0.02 0.00 -1.61 0.00 0.00 39.48 37.77 1de3 n PHE 108 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1de3 n ASP 109 N -1.53 0.81 -4.48 5.98 5.75 -1.26 -0.22 116.55 121.60 1de3 n ASP 109 Ca 0.05 -0.71 -0.43 0.00 -0.01 0.00 0.00 54.79 53.69 1de3 n ASP 109 Cb 0.25 0.84 -0.03 0.00 -1.03 0.00 0.00 41.12 41.15 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1de3 s SER 110 N -3.14 6.44 0.03 -1.12 0.15 -0.82 -3.20 113.70 112.04 1de3 s SER 110 Ca 0.08 -1.54 -0.18 0.00 0.70 0.00 0.00 55.95 55.00 1de3 s SER 110 Cb 0.16 -2.44 -0.10 0.00 -1.71 0.00 0.00 66.02 61.93 1de3 s SER 110 CO 0.82 -1.29 1.27 0.50 1.20 0.00 0.00 173.24 175.74 1de3 h LYS 111 N 9.28 -0.61 -4.08 5.44 3.64 -1.87 -3.22 116.57 125.16 1de3 h LYS 111 Ca 0.01 0.04 -0.47 0.00 -1.27 0.00 0.00 60.65 58.96 1de3 h LYS 111 Cb 1.04 0.14 -0.36 0.00 -0.41 0.00 0.00 32.23 32.64 1de3 h LYS 111 CO 1.19 -0.41 -0.79 -1.59 -2.27 0.00 0.00 179.45 175.59 1de3 s LYS 112 N -4.43 1.13 0.80 1.90 0.00 -1.26 -3.75 119.74 114.12 1de3 s LYS 112 Ca -0.09 -0.14 -0.14 0.00 0.00 0.00 0.00 55.97 55.60 1de3 s LYS 112 Cb 0.01 -1.20 0.19 0.00 0.00 0.00 0.00 37.83 36.83 1de3 s LYS 112 CO 0.29 -0.19 0.92 -0.35 0.00 0.00 0.00 175.35 176.02 1de3 n PRO 113 N 4.61 -1.62 -3.26 1.78 -0.04 -1.26 -5.18 135.00 130.02 1de3 n PRO 113 Ca -0.16 -1.43 0.03 0.00 -0.04 0.00 0.00 63.50 61.90 1de3 n PRO 113 Cb 0.50 -1.10 -0.02 0.00 -0.04 0.00 0.00 33.50 32.85 1de3 n PRO 113 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1de3 s LYS 114 N -5.03 0.54 0.71 0.54 2.20 -1.25 -4.75 119.74 112.71 1de3 s LYS 114 Ca 0.55 1.06 -0.15 0.00 -0.36 0.00 0.00 55.97 57.07 1de3 s LYS 114 Cb -0.03 0.60 0.03 0.00 -1.51 0.00 0.00 37.83 36.92 1de3 s LYS 114 CO 0.40 -0.49 1.16 -2.00 -0.36 0.00 0.00 175.35 174.05 1de3 s GLU 115 N 2.86 2.37 0.31 4.03 2.12 -1.26 -4.97 118.70 124.17 1de3 s GLU 115 Ca 0.13 1.57 -0.28 0.00 0.36 0.00 0.00 54.97 56.75 1de3 s GLU 115 Cb -0.14 -1.88 -0.13 0.00 0.26 0.00 0.00 34.13 32.24 1de3 s GLU 115 CO -0.20 -1.61 1.08 -1.71 -0.54 0.00 0.00 175.26 172.27 1de3 n ASN 116 N -2.69 1.65 -2.96 -1.70 5.15 -1.26 -5.00 115.26 108.45 1de3 n ASN 116 Ca 0.12 1.18 0.00 0.00 -0.60 0.00 0.00 54.58 55.27 1de3 n ASN 116 Cb 0.51 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1de3 n ASN 116 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1de3 n PRO 117 N 0.64 0.02 -4.30 1.20 -0.04 -1.26 -5.10 135.00 126.16 1de3 n PRO 117 Ca 0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.30 1de3 n PRO 117 Cb 0.33 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.72 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 -1.77 1.69 -0.04 0.55 0.00 -1.26 -5.07 107.32 101.42 1de3 s GLY 118 Ca 0.00 -1.62 -0.25 0.00 0.00 0.00 0.00 44.72 42.85 1de3 s GLY 118 CO 0.00 -1.68 1.09 -0.56 0.00 0.00 0.00 173.10 171.95 1de3 h PRO 119 N 2.17 0.13 -6.54 2.90 0.13 -1.89 -3.44 132.00 125.46 1de3 h PRO 119 Ca -0.44 -0.12 -0.52 0.00 -0.87 0.00 0.00 66.00 64.04 1de3 h PRO 119 Cb 1.24 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1de3 h PRO 119 CO 0.59 0.81 0.40 0.00 -0.23 0.00 0.00 178.00 179.57 1de3 s ALA 120 N -3.42 3.26 -0.00 -0.56 0.00 -1.26 -3.25 121.76 116.53 1de3 s ALA 120 Ca -0.16 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.45 1de3 s ALA 120 Cb 0.01 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 1de3 s ALA 120 CO 0.72 -0.14 -0.07 1.03 0.00 0.00 0.00 175.76 177.30 1de3 s ARG 121 N 0.26 0.53 0.02 0.00 0.52 0.23 -3.00 118.95 117.51 1de3 s ARG 121 Ca 0.50 -0.26 -0.29 0.00 -0.52 0.00 0.00 55.73 55.16 1de3 s ARG 121 Cb -0.24 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 1de3 s ARG 121 CO 0.30 0.14 0.94 0.54 0.02 0.00 0.00 175.30 177.24 1de3 s VAL 122 N -0.20 4.80 -0.06 3.52 0.11 0.27 -0.22 120.40 128.62 1de3 s VAL 122 Ca 0.02 1.99 0.04 0.00 -2.93 0.00 0.00 61.98 61.10 1de3 s VAL 122 Cb -0.03 -4.29 -0.02 0.00 -1.53 0.00 0.00 36.38 30.51 1de3 s VAL 122 CO -0.00 0.21 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.18 1de3 s ILE 123 N 0.73 2.80 -0.29 7.04 -1.09 -0.23 -1.37 121.20 128.79 1de3 s ILE 123 Ca 0.49 -0.81 -0.24 0.00 -2.23 0.00 0.00 60.65 57.87 1de3 s ILE 123 Cb -0.21 -2.09 0.18 0.00 -1.58 0.00 0.00 42.46 38.76 1de3 s ILE 123 CO 0.27 0.58 1.31 -0.72 -1.23 0.00 0.00 174.94 175.15 1de3 s TYR 124 N -0.48 -0.17 0.00 3.97 1.13 -1.09 -1.84 117.35 118.86 1de3 s TYR 124 Ca 0.06 0.41 0.00 0.00 -1.41 0.00 0.00 57.07 56.13 1de3 s TYR 124 Cb -0.12 0.40 0.00 0.00 -1.10 0.00 0.00 41.96 41.14 1de3 s TYR 124 CO 0.01 -0.08 0.00 0.25 -2.51 0.00 0.00 175.55 173.22 1de3 n THR 125 N 2.00 0.00 -3.60 -3.49 -2.24 -1.25 -2.17 114.28 103.53 1de3 n THR 125 Ca -0.12 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1de3 n THR 125 Cb 0.57 -0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.36 -0.45 -1.71 4.78 5.04 -1.25 -2.27 117.35 121.14 1de3 s TYR 126 Ca 0.00 0.94 0.23 0.00 -2.44 0.00 0.00 57.07 55.81 1de3 s TYR 126 Cb 0.00 0.40 1.28 0.00 0.35 0.00 0.00 41.96 44.00 1de3 s TYR 126 CO 0.00 -0.31 1.77 -0.35 -1.34 0.00 0.00 175.55 175.32 1de3 n PRO 127 N 1.47 0.53 -0.26 4.97 -0.04 -1.26 -4.17 135.00 136.24 1de3 n PRO 127 Ca -0.12 0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1de3 n PRO 127 Cb 0.57 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.47 -3.67 3.54 2.35 -1.96 -3.44 115.58 111.93 1de3 h ASN 128 Ca 0.00 0.21 -0.40 0.00 -0.55 0.00 0.00 56.30 55.55 1de3 h ASN 128 Cb 0.11 0.39 0.01 0.00 0.05 0.00 0.00 38.32 38.88 1de3 h ASN 128 CO 0.00 -0.21 -0.55 0.29 -1.65 0.00 0.00 177.43 175.31 1de3 n LYS 129 N -5.40 -2.98 -1.88 0.81 5.02 -0.96 -4.85 118.16 107.91 1de3 n LYS 129 Ca 0.13 0.94 -0.22 0.00 -2.02 0.00 0.00 58.31 57.14 1de3 n LYS 129 Cb 0.45 -5.69 -0.06 0.00 -0.02 0.00 0.00 35.03 29.72 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 -3.07 3.30 -0.60 -0.18 1.01 -1.26 -4.70 120.40 114.89 1de3 s VAL 130 Ca 0.13 -0.26 -0.34 0.00 0.00 0.00 0.00 61.98 61.51 1de3 s VAL 130 Cb -0.06 -3.68 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1de3 s VAL 130 CO 0.15 -0.62 2.38 0.33 0.00 0.00 0.00 175.10 177.34 1de3 n PHE 131 N 15.68 1.18 0.07 5.22 7.35 -1.26 -3.85 117.46 141.85 1de3 n PHE 131 Ca 0.43 0.37 -0.14 0.00 -0.76 0.00 0.00 57.45 57.34 1de3 n PHE 131 Cb 0.46 -2.46 -0.14 0.00 0.35 0.00 0.00 39.48 37.69 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 1.55 -0.21 3.14 0.00 0.00 -1.18 -5.01 105.19 103.48 1de3 n GLY 133 Ca -0.10 -1.19 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 1de3 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1de3 s ILE 134 N -3.25 1.28 0.01 -0.61 1.09 -1.26 -1.07 121.20 117.39 1de3 s ILE 134 Ca 0.00 -0.69 0.07 0.00 -1.10 0.00 0.00 60.65 58.93 1de3 s ILE 134 Cb 0.00 -1.08 -0.02 0.00 -1.06 0.00 0.00 42.46 40.30 1de3 s ILE 134 CO 0.00 0.37 -0.20 0.27 -0.10 0.00 0.00 174.94 175.27 1de3 s ILE 135 N -0.31 1.63 -0.00 2.92 -4.36 0.70 -0.35 121.20 121.42 1de3 s ILE 135 Ca 0.05 -1.03 -0.02 0.00 -0.26 0.00 0.00 60.65 59.39 1de3 s ILE 135 Cb -0.07 -1.38 -0.00 0.00 1.25 0.00 0.00 42.46 42.25 1de3 s ILE 135 CO -0.00 0.33 0.03 0.00 0.24 0.00 0.00 174.94 175.54 1de3 s ALA 136 N -0.64 -0.06 0.37 2.27 0.00 -0.13 0.76 121.76 124.34 1de3 s ALA 136 Ca 0.08 -0.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.61 1de3 s ALA 136 Cb -0.08 0.03 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 1de3 s ALA 136 CO 0.00 -0.09 1.37 -1.01 0.00 0.00 0.00 175.76 176.03 1de3 s HIS 137 N -0.66 2.81 -0.55 0.00 3.76 -1.20 -0.04 115.29 119.41 1de3 s HIS 137 Ca -0.07 1.33 0.01 0.00 -0.15 0.00 0.00 55.06 56.18 1de3 s HIS 137 Cb -0.05 -3.79 0.55 0.00 1.11 0.00 0.00 32.58 30.40 1de3 s HIS 137 CO -0.00 -2.32 1.97 0.25 -0.85 0.00 0.00 174.74 173.79 1de3 n THR 138 N 0.45 3.39 -2.72 1.30 -2.24 -0.65 -4.32 114.28 109.49 1de3 n THR 138 Ca 0.02 -2.40 -0.03 0.00 -2.27 0.00 0.00 64.05 59.37 1de3 n THR 138 Cb 0.42 -0.83 0.02 0.00 -2.10 0.00 0.00 70.33 67.84 1de3 n THR 138 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1de3 s LYS 139 N -3.50 0.53 1.57 -0.78 2.47 -1.26 -3.62 119.74 115.15 1de3 s LYS 139 Ca 0.60 -0.51 0.00 0.00 -1.56 0.00 0.00 55.97 54.50 1de3 s LYS 139 Cb 0.49 -0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.83 1de3 s LYS 139 CO 0.05 -0.66 0.00 0.39 0.16 0.00 0.00 175.35 175.29 1de3 n GLU 140 N 2.78 0.00 -1.93 4.03 1.02 0.64 -1.90 120.64 125.28 1de3 n GLU 140 Ca 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1de3 n GLU 140 Cb 0.62 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.07 1de3 n GLU 140 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1de3 n ASN 141 N 3.72 -0.49 0.00 1.62 4.13 -1.26 -4.70 115.26 118.28 1de3 n ASN 141 Ca 0.00 -2.08 0.00 0.00 1.68 0.00 0.00 54.58 54.18 1de3 n ASN 141 Cb 0.00 0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.47 1de3 n ASN 141 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1de3 n GLN 142 N -0.56 0.00 -1.21 3.52 6.02 -0.80 -5.01 117.38 119.35 1de3 n GLN 142 Ca -0.14 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.48 1de3 n GLN 142 Cb 0.84 -0.24 0.05 0.00 1.02 0.00 0.00 30.24 31.91 1de3 n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1de3 n GLY 143 N 0.46 -2.60 3.48 1.08 0.00 -0.91 -4.66 105.19 102.03 1de3 n GLY 143 Ca 0.00 -0.40 -0.61 0.00 0.00 0.00 0.00 46.02 45.01 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 0.52 0.00 -1.75 1.61 4.71 -1.26 -3.25 120.64 121.21 1de3 n GLU 144 Ca 0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.82 1de3 n GLU 144 Cb 0.50 -1.44 -0.03 0.00 -1.01 0.00 0.00 31.44 29.46 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 1.52 3.42 -0.16 -4.62 1.43 -1.26 -1.64 118.68 117.37 1de3 s LEU 145 Ca 0.94 1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 55.14 1de3 s LEU 145 Cb -1.33 -3.06 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 1de3 s LEU 145 CO 0.67 -2.25 0.46 -0.75 0.23 0.00 0.00 176.35 174.71 1de3 s LYS 146 N 6.88 4.26 -0.49 1.70 2.20 0.95 -4.83 119.74 130.41 1de3 s LYS 146 Ca 0.90 0.36 -0.27 0.00 -0.36 0.00 0.00 55.97 56.60 1de3 s LYS 146 Cb -0.23 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1de3 s LYS 146 CO 0.30 0.05 2.10 -1.17 -0.36 0.00 0.00 175.35 176.27 1de3 s LEU 147 N 1.01 3.38 0.94 5.43 2.96 -1.26 -0.96 118.68 130.18 1de3 s LEU 147 Ca 0.23 0.91 -0.13 0.00 -0.22 0.00 0.00 54.13 54.92 1de3 s LEU 147 Cb -0.15 -2.75 0.02 0.00 0.50 0.00 0.00 46.19 43.82 1de3 s LEU 147 CO 0.09 -2.45 0.36 0.00 -1.32 0.00 0.00 176.35 173.04 1de3 s SER 149 N -1.95 0.67 0.00 0.00 0.01 -1.22 -4.68 113.70 106.52 1de3 s SER 149 Ca 0.57 -0.37 0.12 0.00 1.31 0.00 0.00 55.95 57.57 1de3 s SER 149 Cb -0.22 0.01 0.09 0.00 0.21 0.00 0.00 66.02 66.11 1de3 s SER 149 CO 0.68 -0.12 0.87 0.00 0.41 0.00 0.00 173.24 175.08