#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 1.84 -3.76 0.00 0.31 -1.26 -4.69 118.33 110.77 1de3 n VAL 2 Ca 0.00 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.48 1de3 n VAL 2 Cb 0.00 -0.52 -0.10 0.00 -0.91 0.00 0.00 33.84 32.30 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 -1.24 3.52 -0.54 2.52 2.01 -1.26 -0.00 115.64 120.65 1de3 s THR 3 Ca 0.62 -3.03 -0.27 0.00 0.31 0.00 0.00 61.69 59.32 1de3 s THR 3 Cb -0.71 -3.31 0.03 0.00 0.01 0.00 0.00 72.50 68.51 1de3 s THR 3 CO 0.58 -0.86 1.10 0.26 -0.69 0.00 0.00 174.62 175.01 1de3 s TRP 4 N -0.11 2.72 -0.11 4.92 0.52 0.53 -3.91 118.94 123.50 1de3 s TRP 4 Ca 0.17 0.39 -0.01 0.00 0.02 0.00 0.00 56.10 56.67 1de3 s TRP 4 Cb -0.21 -4.35 -0.03 0.00 -1.15 0.00 0.00 33.47 27.74 1de3 s TRP 4 CO -0.03 -1.42 -0.08 0.99 0.02 0.00 0.00 176.95 176.44 1de3 s THR 5 N 4.51 3.58 0.21 2.01 2.01 0.12 0.05 115.64 128.13 1de3 s THR 5 Ca 0.41 -0.50 0.10 0.00 0.31 0.00 0.00 61.69 62.01 1de3 s THR 5 Cb -0.09 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1de3 s THR 5 CO 0.26 0.55 -0.20 0.00 -0.69 0.00 0.00 174.62 174.54 1de3 s LEU 7 N -3.01 4.50 -0.08 0.00 1.43 -1.26 -0.01 118.68 120.24 1de3 s LEU 7 Ca 0.22 -3.26 -0.11 0.00 -1.03 0.00 0.00 54.13 49.95 1de3 s LEU 7 Cb -0.05 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.47 1de3 s LEU 7 CO 0.10 -0.19 0.26 0.20 0.23 0.00 0.00 176.35 176.95 1de3 s ASN 8 N -0.61 6.55 0.33 2.29 0.02 -1.14 -4.63 114.94 117.74 1de3 s ASN 8 Ca 0.19 0.65 -0.27 0.00 -1.02 0.00 0.00 52.86 52.42 1de3 s ASN 8 Cb -0.20 -2.15 -0.09 0.00 0.02 0.00 0.00 41.25 38.83 1de3 s ASN 8 CO -0.05 0.33 1.04 -0.62 0.02 0.00 0.00 177.10 177.83 1de3 s ASP 9 N -0.83 7.13 -0.15 -1.22 2.15 -1.24 -1.80 116.67 120.71 1de3 s ASP 9 Ca 0.18 2.09 -0.03 0.00 0.43 0.00 0.00 52.55 55.22 1de3 s ASP 9 Cb -0.14 -2.60 0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1de3 s ASP 9 CO 0.07 -0.23 0.06 -1.10 -0.17 0.00 0.00 175.17 173.80 1de3 s GLN 10 N -1.89 0.31 -1.05 4.34 -0.21 0.18 0.36 119.66 121.70 1de3 s GLN 10 Ca 0.50 -0.10 -0.21 0.00 0.02 0.00 0.00 55.36 55.56 1de3 s GLN 10 Cb -0.26 -1.62 0.07 0.00 1.00 0.00 0.00 33.01 32.20 1de3 s GLN 10 CO 0.33 -0.56 1.44 0.21 -2.12 0.00 0.00 175.29 174.58 1de3 s LYS 11 N 2.03 3.66 0.11 2.91 2.20 -1.26 -0.70 119.74 128.69 1de3 s LYS 11 Ca 0.02 -1.38 -0.31 0.00 -0.36 0.00 0.00 55.97 53.94 1de3 s LYS 11 Cb -0.15 -5.31 -0.10 0.00 -1.51 0.00 0.00 37.83 30.76 1de3 s LYS 11 CO -0.07 -2.14 1.79 1.21 -0.36 0.00 0.00 175.35 175.77 1de3 s ASN 12 N 4.61 6.46 0.38 1.43 2.47 -0.03 -4.87 114.94 125.40 1de3 s ASN 12 Ca 0.45 2.70 0.19 0.00 0.42 0.00 0.00 52.86 56.61 1de3 s ASN 12 Cb -0.00 -2.57 0.71 0.00 -1.45 0.00 0.00 41.25 37.94 1de3 s ASN 12 CO -0.07 -0.98 1.75 1.55 -3.72 0.00 0.00 177.10 175.63 1de3 h PRO 13 N 8.50 0.00 0.59 0.43 0.13 -1.94 0.24 132.00 139.95 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 0.94 0.37 -0.28 -0.22 -0.23 0.00 0.00 178.00 178.58 1de3 h LYS 14 N 0.00 -0.76 0.00 0.86 1.63 -1.96 -3.27 116.57 113.06 1de3 h LYS 14 Ca -0.00 0.05 -0.23 0.00 -0.85 0.00 0.00 60.65 59.62 1de3 h LYS 14 Cb 0.86 0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 32.63 1de3 h LYS 14 CO 0.05 -0.47 -1.22 1.79 -3.45 0.00 0.00 179.45 176.15 1de3 h THR 15 N -0.87 1.39 -0.43 1.00 1.35 -1.97 -3.48 112.91 109.91 1de3 h THR 15 Ca -0.08 -3.13 -0.17 0.00 -0.55 0.00 0.00 66.41 62.48 1de3 h THR 15 Cb 0.63 2.68 -0.07 0.00 -1.73 0.00 0.00 68.15 69.67 1de3 h THR 15 CO 0.13 0.79 -0.16 -3.20 -0.25 0.00 0.00 175.52 172.83 1de3 n ASN 16 N -3.24 -3.99 -4.57 5.36 5.15 0.83 -5.02 115.26 109.77 1de3 n ASN 16 Ca -0.05 0.20 -0.25 0.00 -0.60 0.00 0.00 54.58 53.87 1de3 n ASN 16 Cb 0.97 -2.27 -0.10 0.00 -0.53 0.00 0.00 39.78 37.85 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 -2.77 1.91 -0.17 1.20 1.02 -1.18 -4.88 119.74 114.86 1de3 s LYS 17 Ca 0.00 -1.87 -0.09 0.00 0.02 0.00 0.00 55.97 54.03 1de3 s LYS 17 Cb 0.00 -1.79 -0.05 0.00 -0.52 0.00 0.00 37.83 35.48 1de3 s LYS 17 CO 0.00 0.14 0.15 0.71 -0.92 0.00 0.00 175.35 175.43 1de3 s TYR 18 N -2.58 3.47 0.08 3.18 2.02 -1.26 -0.85 117.35 121.42 1de3 s TYR 18 Ca 0.33 0.41 0.06 0.00 -0.37 0.00 0.00 57.07 57.50 1de3 s TYR 18 Cb 0.01 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1de3 s TYR 18 CO 0.17 0.42 -0.16 -1.21 -1.57 0.00 0.00 175.55 173.21 1de3 s GLU 19 N -0.06 0.91 -0.92 -0.62 2.02 0.12 -4.88 118.70 115.27 1de3 s GLU 19 Ca 0.11 -1.03 -0.09 0.00 0.02 0.00 0.00 54.97 53.98 1de3 s GLU 19 Cb -0.11 -0.98 0.24 0.00 0.10 0.00 0.00 34.13 33.37 1de3 s GLU 19 CO 0.00 0.22 0.86 0.99 0.02 0.00 0.00 175.26 177.36 1de3 s THR 20 N -1.29 5.35 1.09 3.63 2.01 -1.26 0.48 115.64 125.65 1de3 s THR 20 Ca 0.01 -3.11 -0.13 0.00 0.31 0.00 0.00 61.69 58.76 1de3 s THR 20 Cb -0.10 -4.28 0.24 0.00 0.01 0.00 0.00 72.50 68.37 1de3 s THR 20 CO 0.03 -1.08 1.06 -0.54 -0.69 0.00 0.00 174.62 173.40 1de3 s LYS 21 N -0.65 -0.32 -0.44 4.92 -0.14 -0.74 -4.83 119.74 117.54 1de3 s LYS 21 Ca 0.24 0.58 0.03 0.00 -1.36 0.00 0.00 55.97 55.47 1de3 s LYS 21 Cb -0.11 -1.64 0.12 0.00 -1.68 0.00 0.00 37.83 34.52 1de3 s LYS 21 CO -0.09 -3.26 0.18 1.03 -0.76 0.00 0.00 175.35 172.46 1de3 s ARG 22 N -4.78 1.63 -0.89 1.68 0.52 -1.26 -2.90 118.95 112.95 1de3 s ARG 22 Ca 0.67 -2.20 -0.23 0.00 -0.52 0.00 0.00 55.73 53.45 1de3 s ARG 22 Cb -0.21 -3.04 0.06 0.00 0.52 0.00 0.00 34.95 32.28 1de3 s ARG 22 CO 0.60 -1.06 1.30 -0.51 0.02 0.00 0.00 175.30 175.66 1de3 s LEU 23 N 0.30 3.73 -0.12 2.53 1.02 0.98 -4.88 118.68 122.24 1de3 s LEU 23 Ca 0.15 -1.22 -0.27 0.00 0.02 0.00 0.00 54.13 52.81 1de3 s LEU 23 Cb -0.23 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.44 1de3 s LEU 23 CO -0.04 -1.53 0.89 -0.22 0.02 0.00 0.00 176.35 175.47 1de3 s LEU 24 N 4.75 4.23 0.05 1.79 1.98 -1.26 -0.39 118.68 129.83 1de3 s LEU 24 Ca 0.38 1.34 0.08 0.00 -2.89 0.00 0.00 54.13 53.04 1de3 s LEU 24 Cb -0.05 -3.36 -0.03 0.00 0.66 0.00 0.00 46.19 43.41 1de3 s LEU 24 CO -0.01 -0.37 -0.19 -0.31 -1.89 0.00 0.00 176.35 173.58 1de3 s TYR 25 N 1.87 2.53 -0.35 5.38 1.51 0.11 -4.72 117.35 123.68 1de3 s TYR 25 Ca 0.43 -0.27 -0.14 0.00 -1.01 0.00 0.00 57.07 56.08 1de3 s TYR 25 Cb -0.18 -1.44 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1de3 s TYR 25 CO 0.16 0.26 0.28 1.21 -1.11 0.00 0.00 175.55 176.35 1de3 s ASN 26 N -1.53 6.09 0.50 2.29 2.47 -1.26 -0.35 114.94 123.15 1de3 s ASN 26 Ca 0.15 -0.41 0.26 0.00 0.42 0.00 0.00 52.86 53.29 1de3 s ASN 26 Cb -0.10 -2.15 1.35 0.00 -1.45 0.00 0.00 41.25 38.89 1de3 s ASN 26 CO 0.06 -0.28 1.90 -0.61 -3.72 0.00 0.00 177.10 174.45 1de3 h GLN 27 N 8.49 0.11 -0.02 0.43 -0.00 -0.70 0.61 115.11 124.03 1de3 h GLN 27 Ca -0.31 -0.01 0.03 0.00 -0.00 0.00 0.00 58.65 58.36 1de3 h GLN 27 Cb 1.15 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.57 1de3 h GLN 27 CO 0.66 0.08 -0.15 -0.97 0.00 0.00 0.00 178.83 178.44 1de3 h ASN 28 N 0.12 -0.44 0.41 -0.69 -1.24 -1.88 0.61 115.58 112.46 1de3 h ASN 28 Ca 0.41 0.07 -0.08 0.00 0.71 0.00 0.00 56.30 57.41 1de3 h ASN 28 Cb 1.43 0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.66 1de3 h ASN 28 CO -0.05 -0.21 -0.37 0.11 -1.29 0.00 0.00 177.43 175.62 1de3 h LYS 29 N -0.24 0.00 0.32 6.67 6.56 -1.36 0.03 116.57 128.55 1de3 h LYS 29 Ca 0.06 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1de3 h LYS 29 Cb 0.31 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.98 1de3 h LYS 29 CO -0.16 0.37 -0.15 0.00 -2.06 0.00 0.00 179.45 177.45 1de3 h ALA 30 N 1.63 -0.43 -0.04 3.86 0.00 0.32 0.81 119.26 125.41 1de3 h ALA 30 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1de3 h ALA 30 Cb 0.68 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1de3 h ALA 30 CO 0.05 -0.49 0.03 1.05 0.00 0.00 0.00 179.25 179.90 1de3 h GLU 31 N -0.94 0.00 0.11 0.00 -0.00 0.17 -0.50 114.58 113.42 1de3 h GLU 31 Ca -0.04 0.00 -0.21 0.00 -0.00 0.00 0.00 59.36 59.11 1de3 h GLU 31 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 28.75 29.27 1de3 h GLU 31 CO 0.07 0.00 -1.02 1.03 -0.00 0.00 0.00 179.01 179.09 1de3 h SER 32 N 0.00 0.36 -0.46 3.06 0.87 -0.84 -3.06 113.55 113.48 1de3 h SER 32 Ca 0.02 -0.89 0.05 0.00 -1.23 0.00 0.00 61.79 59.75 1de3 h SER 32 Cb 0.09 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 1de3 h SER 32 CO -0.00 1.46 0.18 0.78 -0.53 0.00 0.00 176.83 178.72 1de3 h ASN 33 N -0.44 0.21 -0.81 6.23 2.35 0.12 0.28 115.58 123.52 1de3 h ASN 33 Ca -0.21 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1de3 h ASN 33 Cb 1.61 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.96 1de3 h ASN 33 CO 0.07 0.16 0.50 0.77 -1.65 0.00 0.00 177.43 177.28 1de3 h SER 34 N 0.37 0.97 1.02 5.81 4.64 -1.27 -0.17 113.55 124.92 1de3 h SER 34 Ca 0.21 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1de3 h SER 34 Cb 0.19 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1de3 h SER 34 CO -0.20 0.74 0.00 1.41 -0.87 0.00 0.00 176.83 177.91 1de3 n HIS 35 N -4.47 0.84 1.01 4.77 8.25 -0.42 -1.13 115.22 124.08 1de3 n HIS 35 Ca 0.08 0.29 0.11 0.00 -0.26 0.00 0.00 57.72 57.94 1de3 n HIS 35 Cb 0.05 -0.97 -0.02 0.00 1.12 0.00 0.00 29.99 30.17 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 -2.23 0.00 -3.82 4.41 -0.00 0.85 -4.93 115.22 109.49 1de3 n HIS 36 Ca 0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.42 1de3 n HIS 36 Cb 0.31 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.99 30.21 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 -2.83 3.90 0.34 1.57 0.00 -0.17 -5.05 121.76 119.52 1de3 s ALA 37 Ca 0.12 -0.67 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 1de3 s ALA 37 Cb 0.17 -1.98 -0.09 0.00 0.00 0.00 0.00 23.12 21.22 1de3 s ALA 37 CO 0.75 0.70 1.06 -1.25 0.00 0.00 0.00 175.76 177.02 1de3 s PRO 38 N -1.93 4.39 -1.27 0.00 0.04 -1.26 -4.93 135.00 130.04 1de3 s PRO 38 Ca 0.29 1.62 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1de3 s PRO 38 Cb -0.13 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.73 1de3 s PRO 38 CO 0.18 0.03 1.69 1.28 0.04 0.00 0.00 177.00 180.23 1de3 n LEU 39 N 0.50 5.75 -3.63 -3.56 4.77 -1.26 -4.37 117.00 115.21 1de3 n LEU 39 Ca 0.02 -4.40 0.00 0.00 -0.03 0.00 0.00 56.01 51.61 1de3 n LEU 39 Cb 0.48 -1.60 -0.06 0.00 -2.33 0.00 0.00 43.42 39.90 1de3 n LEU 39 CO 0.49 0.86 0.86 -0.94 -1.33 0.00 0.00 177.39 177.33 1de3 s SER 40 N 2.50 -0.26 0.27 -1.43 1.04 -1.26 -5.03 113.70 109.52 1de3 s SER 40 Ca 0.44 0.41 -0.29 0.00 0.48 0.00 0.00 55.95 57.00 1de3 s SER 40 Cb 0.04 1.12 -0.09 0.00 0.10 0.00 0.00 66.02 67.18 1de3 s SER 40 CO 0.01 -0.06 0.94 -1.81 0.98 0.00 0.00 173.24 173.30 1de3 s ASP 41 N 1.24 7.54 -0.73 7.02 1.01 -1.24 -3.77 116.67 127.73 1de3 s ASP 41 Ca -0.08 1.92 -0.05 0.00 0.71 0.00 0.00 52.55 55.05 1de3 s ASP 41 Cb -0.03 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.35 1de3 s ASP 41 CO -0.12 0.08 0.18 0.61 0.21 0.00 0.00 175.17 176.12 1de3 n GLY 42 N 1.18 -0.48 1.72 0.21 0.00 -0.74 -4.58 105.19 102.50 1de3 n GLY 42 Ca -0.01 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.02 2.43 -4.02 1.61 4.81 -1.25 -4.95 118.16 113.77 1de3 n LYS 43 Ca -0.02 -3.63 -0.11 0.00 -0.87 0.00 0.00 58.31 53.68 1de3 n LYS 43 Cb 0.52 -1.78 -0.04 0.00 0.02 0.00 0.00 35.03 33.75 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 -3.68 0.00 0.00 3.15 2.01 -1.26 -4.98 115.64 110.88 1de3 s THR 44 Ca 0.42 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.95 1de3 s THR 44 Cb 0.38 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 70.46 1de3 s THR 44 CO -0.02 0.00 0.86 0.61 -0.69 0.00 0.00 174.62 175.37 1de3 n GLY 45 N -0.45 -2.76 0.00 4.40 0.00 -1.19 -2.03 105.19 103.15 1de3 n GLY 45 Ca -0.01 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1de3 n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1de3 n SER 46 N -1.77 0.00 0.00 1.61 3.41 0.87 -3.88 113.62 113.85 1de3 n SER 46 Ca 0.00 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 1de3 n SER 46 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.31 0.00 -4.83 4.04 2.88 -0.86 -5.03 113.62 108.51 1de3 n SER 47 Ca 0.03 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.22 1de3 n SER 47 Cb 0.06 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 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 -3.22 3.58 0.11 0.66 2.02 -1.26 -1.79 117.35 117.45 1de3 s TYR 48 Ca 0.00 1.30 -0.30 0.00 -0.37 0.00 0.00 57.07 57.70 1de3 s TYR 48 Cb 0.00 -2.56 -0.06 0.00 -0.40 0.00 0.00 41.96 38.93 1de3 s TYR 48 CO 0.00 0.30 1.13 -1.25 -1.57 0.00 0.00 175.55 174.15 1de3 s PRO 49 N -2.20 4.52 0.56 -1.71 0.04 -1.26 -4.63 135.00 130.32 1de3 s PRO 49 Ca 0.45 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 1de3 s PRO 49 Cb -0.15 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.08 1de3 s PRO 49 CO 0.20 -0.08 0.83 -3.38 0.04 0.00 0.00 177.00 174.62 1de3 s HIS 50 N 0.43 3.12 0.26 0.56 -3.43 -1.24 -3.71 115.29 111.29 1de3 s HIS 50 Ca 0.54 0.38 -0.29 0.00 -0.80 0.00 0.00 55.06 54.88 1de3 s HIS 50 Cb -0.29 -2.70 -0.09 0.00 -1.43 0.00 0.00 32.58 28.07 1de3 s HIS 50 CO 0.32 -0.80 1.25 -0.46 -2.00 0.00 0.00 174.74 173.05 1de3 s TRP 51 N -2.87 3.28 -0.54 0.38 -0.00 -1.26 -2.06 118.94 115.86 1de3 s TRP 51 Ca 0.54 1.42 -0.03 0.00 -0.00 0.00 0.00 56.10 58.03 1de3 s TRP 51 Cb -0.10 -3.54 0.14 0.00 -0.00 0.00 0.00 33.47 29.97 1de3 s TRP 51 CO 0.42 -1.50 0.35 0.12 -0.00 0.00 0.00 176.95 176.34 1de3 s PHE 52 N -0.62 3.46 0.28 5.86 5.36 -0.00 -4.77 117.98 127.55 1de3 s PHE 52 Ca 0.51 -2.63 0.07 0.00 -0.96 0.00 0.00 56.93 53.92 1de3 s PHE 52 Cb -0.36 -3.19 0.80 0.00 -0.34 0.00 0.00 43.02 39.93 1de3 s PHE 52 CO 0.44 -0.88 1.31 0.25 -1.46 0.00 0.00 175.22 174.88 1de3 n THR 53 N 3.86 -0.35 -3.16 0.12 -2.24 -1.26 -4.49 114.28 106.75 1de3 n THR 53 Ca 0.04 1.79 -0.23 0.00 -2.27 0.00 0.00 64.05 63.39 1de3 n THR 53 Cb 0.39 -2.71 0.02 0.00 -2.10 0.00 0.00 70.33 65.92 1de3 n THR 53 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1de3 n ASN 54 N -5.10 -5.02 0.00 3.42 5.15 -1.26 -0.70 115.26 111.75 1de3 n ASN 54 Ca 0.24 -0.32 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 1de3 n ASN 54 Cb 0.79 -4.09 0.00 0.00 -0.53 0.00 0.00 39.78 35.95 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 -1.36 2.44 3.83 8.20 0.00 -1.26 -4.02 105.19 113.03 1de3 n GLY 55 Ca -0.07 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1de3 n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1de3 s TYR 56 N -0.98 3.35 0.00 1.61 2.02 0.13 -4.23 117.35 119.25 1de3 s TYR 56 Ca 0.00 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.19 1de3 s TYR 56 Cb 0.00 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.80 1de3 s TYR 56 CO 0.00 -0.11 0.00 -3.47 -1.57 0.00 0.00 175.55 170.40 1de3 n ASP 57 N -0.75 0.00 -1.16 2.29 -0.08 0.15 -4.47 116.55 112.54 1de3 n ASP 57 Ca 0.06 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1de3 n ASP 57 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 1de3 n ASP 57 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1de3 n GLY 58 N 5.00 2.18 2.12 0.27 0.00 -1.26 -3.82 105.19 109.69 1de3 n GLY 58 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.75 -2.26 0.00 1.61 -0.08 -1.18 -3.98 116.55 111.41 1de3 n ASP 59 Ca 0.01 0.54 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 1de3 n ASP 59 Cb 0.51 2.27 0.00 0.00 2.34 0.00 0.00 41.12 46.24 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 -0.90 0.00 3.15 0.27 0.00 -1.24 -3.93 105.19 102.53 1de3 n GLY 60 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.95 0.08 1.61 -0.14 -1.26 -4.83 119.74 116.15 1de3 s LYS 61 Ca 0.00 -0.77 0.08 0.00 -1.36 0.00 0.00 55.97 53.92 1de3 s LYS 61 Cb 0.00 -0.96 -0.04 0.00 -1.68 0.00 0.00 37.83 35.16 1de3 s LYS 61 CO 0.00 0.24 -0.19 -0.51 -0.76 0.00 0.00 175.35 174.13 1de3 s LEU 62 N -1.17 2.61 0.00 3.17 1.02 -1.26 0.35 118.68 123.41 1de3 s LEU 62 Ca 0.02 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.66 1de3 s LEU 62 Cb -0.08 -1.50 0.00 0.00 0.02 0.00 0.00 46.19 44.63 1de3 s LEU 62 CO 0.01 0.22 0.00 -0.81 0.02 0.00 0.00 176.35 175.79 1de3 n PRO 63 N 1.19 -0.11 -2.74 1.29 -0.04 -1.26 -4.94 135.00 128.38 1de3 n PRO 63 Ca -0.16 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 1de3 n PRO 63 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.76 3.22 0.00 0.54 2.20 -1.26 -4.00 119.74 118.68 1de3 s LYS 64 Ca 0.00 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1de3 s LYS 64 Cb 0.00 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.95 1de3 s LYS 64 CO 0.00 -1.95 0.00 0.41 -0.36 0.00 0.00 175.35 173.45 1de3 n GLY 65 N 5.49 0.86 3.49 5.54 0.00 -1.26 -5.14 105.19 114.17 1de3 n GLY 65 Ca 0.04 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.98 1.71 -0.33 1.61 6.06 -1.26 -5.13 118.95 119.64 1de3 s ARG 66 Ca 0.00 -1.84 0.00 0.00 -2.50 0.00 0.00 55.73 51.39 1de3 s ARG 66 Cb 0.00 -1.65 0.14 0.00 0.06 0.00 0.00 34.95 33.50 1de3 s ARG 66 CO 0.00 0.21 0.27 -0.08 -2.50 0.00 0.00 175.30 173.20 1de3 s THR 67 N -2.63 -0.19 -0.53 4.11 -1.32 -1.26 -5.07 115.64 108.75 1de3 s THR 67 Ca 0.31 -0.99 -0.28 0.00 -1.21 0.00 0.00 61.69 59.52 1de3 s THR 67 Cb -0.00 -0.92 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1de3 s THR 67 CO 0.15 -0.68 1.46 -2.16 -2.21 0.00 0.00 174.62 171.19 1de3 s PRO 68 N 1.72 3.30 -0.55 7.08 0.04 -1.26 -4.52 135.00 140.81 1de3 s PRO 68 Ca 0.14 0.59 -0.34 0.00 0.04 0.00 0.00 61.00 61.43 1de3 s PRO 68 Cb -0.17 -4.13 -0.14 0.00 0.04 0.00 0.00 34.50 30.10 1de3 s PRO 68 CO -0.16 -1.93 2.34 -0.89 0.04 0.00 0.00 177.00 176.40 1de3 n ILE 69 N 6.95 0.07 -3.37 0.56 5.41 -1.26 -4.91 119.36 122.81 1de3 n ILE 69 Ca 0.14 -0.25 -0.35 0.00 1.00 0.00 0.00 62.75 63.30 1de3 n ILE 69 Cb 0.49 -1.38 -0.06 0.00 -0.71 0.00 0.00 39.64 37.98 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 7.19 3.94 -0.02 0.38 2.20 -1.26 -4.79 119.74 127.38 1de3 s LYS 70 Ca 1.16 0.45 0.04 0.00 -0.36 0.00 0.00 55.97 57.25 1de3 s LYS 70 Cb -0.94 -2.88 0.08 0.00 -1.51 0.00 0.00 37.83 32.58 1de3 s LYS 70 CO 0.48 0.45 1.06 1.19 -0.36 0.00 0.00 175.35 178.17 1de3 n PHE 71 N 0.63 0.07 -0.91 4.03 3.01 -1.26 -4.96 117.46 118.07 1de3 n PHE 71 Ca -0.04 -0.58 0.00 0.00 1.01 0.00 0.00 57.45 57.84 1de3 n PHE 71 Cb 0.52 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1de3 n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1de3 n GLY 72 N -0.52 0.64 3.44 1.37 0.00 -1.26 -4.99 105.19 103.88 1de3 n GLY 72 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.32 3.56 0.22 1.61 1.02 -1.26 -4.96 119.74 119.61 1de3 s LYS 73 Ca 0.00 -0.55 0.17 0.00 0.02 0.00 0.00 55.97 55.61 1de3 s LYS 73 Cb 0.00 -3.38 0.84 0.00 -0.52 0.00 0.00 37.83 34.77 1de3 s LYS 73 CO 0.00 -0.25 1.51 0.45 -0.92 0.00 0.00 175.35 176.13 1de3 n SER 74 N 4.93 0.42 -0.08 2.83 2.88 -1.26 -0.51 113.62 122.83 1de3 n SER 74 Ca -0.16 0.67 -0.12 0.00 -1.33 0.00 0.00 58.87 57.93 1de3 n SER 74 Cb 0.51 -0.73 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 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 0.00 0.17 -3.46 5.19 -1.94 -1.86 116.42 114.52 1de3 h ASP 75 Ca 0.00 -0.38 -0.02 0.00 -0.62 0.00 0.00 57.03 56.01 1de3 h ASP 75 Cb 0.07 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 1de3 h ASP 75 CO 0.00 1.04 -0.11 0.00 -3.12 0.00 0.00 179.24 177.04 1de3 h ASP 77 N 0.00 0.00 -2.74 0.00 3.58 -0.96 -3.47 116.42 112.83 1de3 h ASP 77 Ca -0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 1de3 h ASP 77 Cb 0.23 0.00 0.23 0.00 1.72 0.00 0.00 39.33 41.51 1de3 h ASP 77 CO 0.01 0.29 -1.09 -2.11 -2.88 0.00 0.00 179.24 173.47 1de3 n ARG 78 N -3.03 -0.49 -2.02 0.28 1.85 -0.45 -4.89 116.66 107.92 1de3 n ARG 78 Ca -0.00 -0.12 -0.43 0.00 -1.00 0.00 0.00 57.85 56.30 1de3 n ARG 78 Cb 0.67 -1.60 -0.03 0.00 -1.05 0.00 0.00 32.46 30.46 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 -3.16 3.54 0.18 2.89 0.04 -1.26 -4.97 135.00 132.25 1de3 s PRO 79 Ca 0.52 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.84 1de3 s PRO 79 Cb -0.16 -4.14 -0.08 0.00 0.04 0.00 0.00 34.50 30.16 1de3 s PRO 79 CO 0.70 -1.61 1.17 -1.25 0.04 0.00 0.00 177.00 176.05 1de3 s PRO 80 N 5.25 4.52 -1.00 0.56 0.04 -1.25 -4.80 135.00 138.31 1de3 s PRO 80 Ca 0.78 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 63.54 1de3 s PRO 80 Cb -0.24 -3.25 0.25 0.00 0.04 0.00 0.00 34.50 31.30 1de3 s PRO 80 CO 0.32 -0.04 0.97 0.21 0.04 0.00 0.00 177.00 178.51 1de3 s LYS 81 N -0.25 3.93 -0.12 4.56 2.47 -0.85 -3.12 119.74 126.36 1de3 s LYS 81 Ca 0.52 -2.99 -0.25 0.00 -1.56 0.00 0.00 55.97 51.69 1de3 s LYS 81 Cb -0.31 -4.46 -0.02 0.00 -1.46 0.00 0.00 37.83 31.57 1de3 s LYS 81 CO 0.36 -1.26 0.80 -1.58 0.16 0.00 0.00 175.35 173.84 1de3 s HIS 82 N -0.83 3.49 0.00 4.03 5.65 -1.26 -3.40 115.29 122.98 1de3 s HIS 82 Ca 0.26 1.29 0.00 0.00 0.25 0.00 0.00 55.06 56.86 1de3 s HIS 82 Cb -0.10 -2.96 0.00 0.00 -1.18 0.00 0.00 32.58 28.34 1de3 s HIS 82 CO -0.08 -0.12 0.00 0.45 -0.65 0.00 0.00 174.74 174.34 1de3 n SER 83 N 4.67 0.00 0.03 9.88 2.88 -1.23 -4.52 113.62 125.33 1de3 n SER 83 Ca 0.03 -0.73 -0.01 0.00 -1.33 0.00 0.00 58.87 56.83 1de3 n SER 83 Cb 0.50 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 1de3 n SER 83 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1de3 h LYS 84 N 0.00 -0.08 -0.35 -1.46 1.63 -1.97 -2.54 116.57 111.80 1de3 h LYS 84 Ca 0.00 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1de3 h LYS 84 Cb 0.00 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.63 1de3 h LYS 84 CO 0.00 -0.05 0.12 -0.44 -3.45 0.00 0.00 179.45 175.63 1de3 h ASP 85 N -0.08 0.44 0.00 4.20 3.32 -1.96 -3.45 116.42 118.88 1de3 h ASP 85 Ca -0.01 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1de3 h ASP 85 Cb 0.07 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1de3 h ASP 85 CO -0.00 0.42 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 1de3 n GLY 86 N -1.19 0.82 0.00 2.75 0.00 -0.96 -4.28 105.19 102.34 1de3 n GLY 86 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.48 115.26 119.07 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 0.53 1.36 0.00 4.83 0.00 -1.26 -3.99 105.19 106.67 1de3 n GLY 88 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.00 0.00 -2.93 1.61 4.81 -1.26 -4.94 118.16 115.46 1de3 n LYS 89 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 1de3 n LYS 89 Cb 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.03 1de3 n LYS 89 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1de3 n THR 90 N -0.77 1.18 -2.62 3.15 5.66 -1.26 -5.10 114.28 114.53 1de3 n THR 90 Ca 0.00 -4.54 -0.36 0.00 -3.05 0.00 0.00 64.05 56.10 1de3 n THR 90 Cb 0.00 -0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 68.28 1de3 n THR 90 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1de3 s ASP 91 N -2.97 6.83 -0.72 1.09 1.11 -1.26 -5.01 116.67 115.74 1de3 s ASP 91 Ca 0.40 1.95 0.04 0.00 0.18 0.00 0.00 52.55 55.12 1de3 s ASP 91 Cb 0.36 -2.58 0.28 0.00 1.07 0.00 0.00 42.92 42.06 1de3 s ASP 91 CO -0.08 -0.44 0.97 0.00 1.18 0.00 0.00 175.17 176.79 1de3 n HIS 92 N -0.15 3.46 -3.62 4.23 1.44 -1.22 -4.45 115.22 114.91 1de3 n HIS 92 Ca 0.05 -3.78 -0.33 0.00 -2.01 0.00 0.00 57.72 51.65 1de3 n HIS 92 Cb 0.51 -0.69 -0.05 0.00 0.12 0.00 0.00 29.99 29.87 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 -2.83 3.50 -0.30 -1.40 1.13 -1.23 -2.00 117.35 114.23 1de3 s TYR 93 Ca 0.40 0.66 -0.24 0.00 -1.41 0.00 0.00 57.07 56.48 1de3 s TYR 93 Cb 0.16 -2.07 -0.00 0.00 -1.10 0.00 0.00 41.96 38.95 1de3 s TYR 93 CO -0.02 0.45 0.80 -0.51 -2.51 0.00 0.00 175.55 173.75 1de3 s LEU 94 N -2.43 4.08 0.23 -3.49 1.43 -1.26 -3.86 118.68 113.38 1de3 s LEU 94 Ca 0.39 0.72 0.08 0.00 -1.03 0.00 0.00 54.13 54.29 1de3 s LEU 94 Cb -0.13 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1de3 s LEU 94 CO 0.22 -0.60 0.05 -1.48 0.23 0.00 0.00 176.35 174.77 1de3 s LEU 95 N 2.95 3.40 -0.24 1.79 0.05 -1.19 -0.82 118.68 124.62 1de3 s LEU 95 Ca 0.33 -0.46 -0.01 0.00 0.05 0.00 0.00 54.13 54.04 1de3 s LEU 95 Cb -0.14 -1.96 0.07 0.00 -2.05 0.00 0.00 46.19 42.10 1de3 s LEU 95 CO 0.12 0.02 0.01 -1.83 -0.55 0.00 0.00 176.35 174.11 1de3 s GLU 96 N -3.50 1.13 0.15 1.48 -1.05 -0.88 -3.16 118.70 112.87 1de3 s GLU 96 Ca 0.31 -0.84 -0.25 0.00 -0.15 0.00 0.00 54.97 54.03 1de3 s GLU 96 Cb -0.08 -2.35 -0.08 0.00 -0.44 0.00 0.00 34.13 31.19 1de3 s GLU 96 CO 0.21 -0.69 0.78 0.12 0.95 0.00 0.00 175.26 176.63 1de3 s PHE 97 N 1.57 3.88 -1.07 4.83 5.36 -0.47 -3.77 117.98 128.32 1de3 s PHE 97 Ca -0.01 1.62 -0.23 0.00 -0.96 0.00 0.00 56.93 57.34 1de3 s PHE 97 Cb -0.18 -2.79 -0.06 0.00 -0.34 0.00 0.00 43.02 39.65 1de3 s PHE 97 CO -0.10 0.47 1.92 -1.25 -1.46 0.00 0.00 175.22 174.80 1de3 s PRO 98 N -0.94 2.60 0.19 10.12 0.04 -1.26 -1.01 135.00 144.74 1de3 s PRO 98 Ca 0.37 -0.83 -0.30 0.00 0.04 0.00 0.00 61.00 60.28 1de3 s PRO 98 Cb -0.23 -5.18 -0.08 0.00 0.04 0.00 0.00 34.50 29.05 1de3 s PRO 98 CO 0.26 -3.63 0.98 -0.08 0.04 0.00 0.00 177.00 174.57 1de3 s THR 99 N 10.25 4.16 0.02 1.26 -1.32 -1.05 -4.74 115.64 124.23 1de3 s THR 99 Ca 0.68 1.99 0.03 0.00 -1.21 0.00 0.00 61.69 63.18 1de3 s THR 99 Cb -0.03 -4.27 -0.04 0.00 -1.51 0.00 0.00 72.50 66.66 1de3 s THR 99 CO 0.07 0.40 -0.03 -0.36 -2.21 0.00 0.00 174.62 172.49 1de3 s PHE 100 N -0.66 2.98 0.11 9.09 0.40 -1.26 -4.49 117.98 124.15 1de3 s PHE 100 Ca 0.44 0.01 -0.11 0.00 -0.60 0.00 0.00 56.93 56.67 1de3 s PHE 100 Cb -0.26 -1.61 -0.13 0.00 0.51 0.00 0.00 43.02 41.53 1de3 s PHE 100 CO 0.32 0.43 1.31 -1.00 0.70 0.00 0.00 175.22 176.99 1de3 h PRO 101 N 4.17 0.72 -1.08 0.24 0.13 -1.92 -3.05 132.00 131.21 1de3 h PRO 101 Ca -0.48 -0.61 0.31 0.00 -0.87 0.00 0.00 66.00 64.35 1de3 h PRO 101 Cb 1.17 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1de3 h PRO 101 CO 0.56 1.22 0.78 0.22 -0.23 0.00 0.00 178.00 180.55 1de3 h ASP 102 N 0.48 0.00 0.00 1.44 1.82 -1.97 -3.44 116.42 114.76 1de3 h ASP 102 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1de3 h ASP 102 Cb 1.43 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.44 1de3 h ASP 102 CO 0.16 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.40 1de3 n GLY 103 N -1.75 0.70 3.73 -0.78 0.00 -1.15 -5.04 105.19 100.90 1de3 n GLY 103 Ca 0.23 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 3.71 -0.93 1.61 -3.43 -1.26 -4.97 115.29 108.03 1de3 s HIS 104 Ca 0.00 1.53 -0.24 0.00 -0.80 0.00 0.00 55.06 55.55 1de3 s HIS 104 Cb 0.00 -2.91 -0.05 0.00 -1.43 0.00 0.00 32.58 28.20 1de3 s HIS 104 CO 0.00 0.19 1.93 0.34 -2.00 0.00 0.00 174.74 175.20 1de3 s ASP 105 N 0.26 5.17 0.41 7.38 2.15 -1.26 -4.54 116.67 126.23 1de3 s ASP 105 Ca 0.42 -0.77 -0.18 0.00 0.43 0.00 0.00 52.55 52.44 1de3 s ASP 105 Cb -0.21 -2.56 -0.14 0.00 -0.30 0.00 0.00 42.92 39.71 1de3 s ASP 105 CO 0.24 -2.74 -0.00 0.00 -0.17 0.00 0.00 175.17 172.50 1de3 n TYR 106 N 13.88 -2.24 -1.12 -5.34 9.36 -1.26 -4.73 117.16 125.71 1de3 n TYR 106 Ca 0.40 0.51 -0.40 0.00 3.32 0.00 0.00 57.90 61.73 1de3 n TYR 106 Cb 0.47 -1.59 -0.08 0.00 -0.63 0.00 0.00 39.34 37.51 1de3 n TYR 106 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1de3 n LYS 107 N 1.29 1.02 0.09 2.98 0.00 -1.26 -4.54 118.16 117.73 1de3 n LYS 107 Ca 0.09 -1.69 -0.02 0.00 -0.00 0.00 0.00 58.31 56.69 1de3 n LYS 107 Cb 0.39 -2.98 -0.05 0.00 -0.00 0.00 0.00 35.03 32.40 1de3 n LYS 107 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1de3 h PHE 108 N 8.95 0.00 -0.01 5.58 -5.15 -1.93 -3.23 116.94 121.16 1de3 h PHE 108 Ca 0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.09 1de3 h PHE 108 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.90 1de3 h PHE 108 CO 1.16 0.70 -0.15 -0.40 -2.00 0.00 0.00 178.31 177.62 1de3 n ASP 109 N -3.20 0.88 -4.35 -0.68 5.68 -1.26 -0.09 116.55 113.53 1de3 n ASP 109 Ca -0.02 -0.89 -0.46 0.00 -0.50 0.00 0.00 54.79 52.93 1de3 n ASP 109 Cb 0.84 0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.81 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 -2.39 6.31 0.03 -1.12 0.15 -1.22 -3.25 113.70 112.22 1de3 s SER 110 Ca 0.29 -1.82 -0.21 0.00 0.70 0.00 0.00 55.95 54.91 1de3 s SER 110 Cb 0.20 -2.26 -0.12 0.00 -1.71 0.00 0.00 66.02 62.14 1de3 s SER 110 CO 0.47 -0.92 1.30 0.50 1.20 0.00 0.00 173.24 175.78 1de3 h LYS 111 N 8.81 -0.73 -3.86 5.44 3.64 -1.87 -3.06 116.57 124.95 1de3 h LYS 111 Ca -0.20 0.05 -0.46 0.00 -1.27 0.00 0.00 60.65 58.76 1de3 h LYS 111 Cb 1.08 0.17 -0.38 0.00 -0.41 0.00 0.00 32.23 32.69 1de3 h LYS 111 CO 1.02 -0.48 -0.78 0.21 -2.27 0.00 0.00 179.45 177.15 1de3 s LYS 112 N -4.62 0.88 1.01 1.90 2.47 -1.26 -3.74 119.74 116.38 1de3 s LYS 112 Ca -0.11 -0.00 -0.17 0.00 -1.56 0.00 0.00 55.97 54.13 1de3 s LYS 112 Cb 0.01 -1.17 0.22 0.00 -1.46 0.00 0.00 37.83 35.43 1de3 s LYS 112 CO 0.33 -0.30 1.29 -1.25 0.16 0.00 0.00 175.35 175.58 1de3 s PRO 113 N 1.89 0.30 -0.28 4.03 0.04 -1.26 -5.18 135.00 134.55 1de3 s PRO 113 Ca 0.05 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1de3 s PRO 113 Cb -0.12 -1.80 0.16 0.00 0.04 0.00 0.00 34.50 32.78 1de3 s PRO 113 CO -0.06 -2.65 0.46 0.21 0.04 0.00 0.00 177.00 175.00 1de3 s LYS 114 N -5.81 0.44 0.64 4.56 2.20 -1.25 -4.70 119.74 115.82 1de3 s LYS 114 Ca 0.73 0.51 -0.18 0.00 -0.36 0.00 0.00 55.97 56.68 1de3 s LYS 114 Cb -0.05 -0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.15 1de3 s LYS 114 CO 0.54 -0.81 1.26 -2.00 -0.36 0.00 0.00 175.35 173.98 1de3 s GLU 115 N 2.65 2.65 0.26 4.03 2.12 -1.26 -4.96 118.70 124.19 1de3 s GLU 115 Ca 0.13 1.98 -0.30 0.00 0.36 0.00 0.00 54.97 57.15 1de3 s GLU 115 Cb -0.14 -1.87 -0.14 0.00 0.26 0.00 0.00 34.13 32.24 1de3 s GLU 115 CO -0.23 -1.50 1.15 -1.71 -0.54 0.00 0.00 175.26 172.43 1de3 n ASN 116 N -1.85 1.75 -2.93 -1.70 5.15 -1.26 -5.00 115.26 109.43 1de3 n ASN 116 Ca 0.15 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.30 1de3 n ASN 116 Cb 0.49 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.41 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 1.13 -0.04 -4.05 1.20 -0.04 -1.26 -5.08 135.00 126.86 1de3 n PRO 117 Ca 0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.33 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 -1.82 1.47 0.09 0.55 0.00 -1.26 -5.05 107.32 101.30 1de3 s GLY 118 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 44.72 43.30 1de3 s GLY 118 CO 0.00 -1.30 1.34 -0.56 0.00 0.00 0.00 173.10 172.58 1de3 h PRO 119 N 1.71 0.72 -6.17 2.90 0.13 -1.86 -3.44 132.00 125.99 1de3 h PRO 119 Ca -0.49 -0.49 -0.57 0.00 -0.87 0.00 0.00 66.00 63.57 1de3 h PRO 119 Cb 1.22 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1de3 h PRO 119 CO 0.62 1.11 -0.05 0.00 -0.23 0.00 0.00 178.00 179.46 1de3 s ALA 120 N -4.01 3.57 -0.05 -0.56 0.00 -1.26 -2.95 121.76 116.50 1de3 s ALA 120 Ca -0.12 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.87 1de3 s ALA 120 Cb 0.08 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.57 1de3 s ALA 120 CO 0.86 0.34 -0.10 1.03 0.00 0.00 0.00 175.76 177.89 1de3 s ARG 121 N -0.85 1.31 -0.15 0.00 0.52 0.12 -2.51 118.95 117.39 1de3 s ARG 121 Ca 0.29 -0.32 -0.28 0.00 -0.52 0.00 0.00 55.73 54.90 1de3 s ARG 121 Cb -0.19 -1.15 -0.01 0.00 0.52 0.00 0.00 34.95 34.12 1de3 s ARG 121 CO 0.18 0.03 0.94 0.54 0.02 0.00 0.00 175.30 177.01 1de3 s VAL 122 N 0.57 4.81 -0.08 3.52 0.11 -0.18 -0.76 120.40 128.39 1de3 s VAL 122 Ca -0.11 1.87 -0.02 0.00 -2.93 0.00 0.00 61.98 60.79 1de3 s VAL 122 Cb -0.14 -4.24 -0.03 0.00 -1.53 0.00 0.00 36.38 30.44 1de3 s VAL 122 CO 0.02 -0.01 0.02 -0.63 -3.33 0.00 0.00 175.10 171.17 1de3 s ILE 123 N 2.24 4.45 -0.29 7.04 1.09 0.06 -1.37 121.20 134.42 1de3 s ILE 123 Ca 0.43 -0.22 -0.22 0.00 -1.10 0.00 0.00 60.65 59.55 1de3 s ILE 123 Cb -0.17 -2.89 0.15 0.00 -1.06 0.00 0.00 42.46 38.49 1de3 s ILE 123 CO 0.14 0.59 1.13 -0.72 -0.10 0.00 0.00 174.94 175.98 1de3 s TYR 124 N -0.92 -0.37 0.00 3.97 1.13 -1.19 -0.51 117.35 119.46 1de3 s TYR 124 Ca 0.14 0.83 0.00 0.00 -1.41 0.00 0.00 57.07 56.63 1de3 s TYR 124 Cb -0.11 0.36 0.00 0.00 -1.10 0.00 0.00 41.96 41.11 1de3 s TYR 124 CO 0.03 -0.18 0.00 0.25 -2.51 0.00 0.00 175.55 173.14 1de3 n THR 125 N 2.48 0.00 -3.61 -3.49 -2.24 -1.21 -3.17 114.28 103.04 1de3 n THR 125 Ca -0.14 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1de3 n THR 125 Cb 0.57 -0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.86 -0.61 -1.86 4.78 5.04 -1.25 -2.22 117.35 120.36 1de3 s TYR 126 Ca 0.00 1.40 0.26 0.00 -2.44 0.00 0.00 57.07 56.29 1de3 s TYR 126 Cb 0.00 0.34 1.50 0.00 0.35 0.00 0.00 41.96 44.15 1de3 s TYR 126 CO 0.00 -0.36 1.90 -0.35 -1.34 0.00 0.00 175.55 175.41 1de3 n PRO 127 N 2.05 0.71 -0.29 4.97 -0.04 -1.26 -4.30 135.00 136.83 1de3 n PRO 127 Ca -0.14 0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.42 1de3 n PRO 127 Cb 0.56 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.37 -3.81 3.54 4.21 -1.97 -3.45 115.58 113.73 1de3 h ASN 128 Ca 0.00 0.22 -0.38 0.00 1.21 0.00 0.00 56.30 57.35 1de3 h ASN 128 Cb 0.06 0.38 0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1de3 h ASN 128 CO 0.00 -0.23 -0.52 0.29 -1.29 0.00 0.00 177.43 175.69 1de3 n LYS 129 N -5.38 -2.89 -1.93 0.81 5.02 -0.94 -4.85 118.16 108.00 1de3 n LYS 129 Ca 0.17 0.86 -0.24 0.00 -2.02 0.00 0.00 58.31 57.08 1de3 n LYS 129 Cb 0.56 -5.58 -0.05 0.00 -0.02 0.00 0.00 35.03 29.94 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 -2.99 3.34 -0.64 -0.18 1.01 -1.26 -4.66 120.40 115.02 1de3 s VAL 130 Ca 0.12 -0.28 -0.33 0.00 0.00 0.00 0.00 61.98 61.49 1de3 s VAL 130 Cb -0.06 -3.77 -0.18 0.00 0.00 0.00 0.00 36.38 32.37 1de3 s VAL 130 CO 0.15 -0.72 2.10 0.33 0.00 0.00 0.00 175.10 176.96 1de3 n PHE 131 N 15.11 0.78 -0.06 5.22 7.35 -1.26 -3.30 117.46 141.29 1de3 n PHE 131 Ca 0.42 0.52 -0.06 0.00 -0.76 0.00 0.00 57.45 57.56 1de3 n PHE 131 Cb 0.46 -2.04 -0.05 0.00 0.35 0.00 0.00 39.48 38.20 1de3 n PHE 131 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1de3 n GLY 133 N 1.69 -0.66 2.84 0.00 0.00 -1.05 -4.91 105.19 103.10 1de3 n GLY 133 Ca -0.06 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.50 0.42 -0.03 -0.61 1.09 -1.26 -0.76 121.20 116.55 1de3 s ILE 134 Ca 0.00 -0.01 0.05 0.00 -1.10 0.00 0.00 60.65 59.59 1de3 s ILE 134 Cb 0.00 -0.50 -0.01 0.00 -1.06 0.00 0.00 42.46 40.89 1de3 s ILE 134 CO 0.00 0.22 -0.20 0.27 -0.10 0.00 0.00 174.94 175.13 1de3 s ILE 135 N 1.23 1.59 0.19 2.92 -4.36 0.06 -0.88 121.20 121.95 1de3 s ILE 135 Ca -0.06 -0.83 0.04 0.00 -0.26 0.00 0.00 60.65 59.54 1de3 s ILE 135 Cb -0.14 -1.34 -0.05 0.00 1.25 0.00 0.00 42.46 42.19 1de3 s ILE 135 CO -0.02 0.45 -0.06 0.00 0.24 0.00 0.00 174.94 175.55 1de3 s ALA 136 N -0.24 1.64 -0.15 2.27 0.00 -0.90 0.16 121.76 124.55 1de3 s ALA 136 Ca 0.02 -1.62 -0.27 0.00 0.00 0.00 0.00 51.96 50.09 1de3 s ALA 136 Cb -0.10 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 1de3 s ALA 136 CO 0.01 -0.16 0.92 -1.01 0.00 0.00 0.00 175.76 175.52 1de3 s HIS 137 N -3.35 3.45 -0.03 0.00 3.76 -1.15 -0.40 115.29 117.57 1de3 s HIS 137 Ca 0.22 1.42 -0.01 0.00 -0.15 0.00 0.00 55.06 56.54 1de3 s HIS 137 Cb 0.04 -3.11 -0.00 0.00 1.11 0.00 0.00 32.58 30.62 1de3 s HIS 137 CO 0.04 -0.25 2.13 0.25 -0.85 0.00 0.00 174.74 176.07 1de3 n THR 138 N 4.70 2.15 -2.67 1.30 -2.24 -1.23 -3.90 114.28 112.38 1de3 n THR 138 Ca 0.07 -0.68 -0.04 0.00 -2.27 0.00 0.00 64.05 61.12 1de3 n THR 138 Cb 0.49 -1.53 0.06 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.49 0.13 0.00 -0.78 4.81 -1.20 -3.73 118.16 118.87 1de3 n LYS 139 Ca 0.06 -0.74 0.00 0.00 -0.87 0.00 0.00 58.31 56.76 1de3 n LYS 139 Cb 0.54 -0.15 0.00 0.00 0.02 0.00 0.00 35.03 35.44 1de3 n LYS 139 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1de3 n GLU 140 N 1.83 0.00 -1.03 1.64 -0.58 0.16 -1.14 120.64 121.51 1de3 n GLU 140 Ca 0.04 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.76 1de3 n GLU 140 Cb 0.69 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.53 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 2.68 -0.21 -3.83 1.62 4.13 -1.26 -4.66 115.26 113.73 1de3 n ASN 141 Ca 0.00 -1.86 -0.09 0.00 1.68 0.00 0.00 54.58 54.31 1de3 n ASN 141 Cb 0.00 0.05 -0.07 0.00 -1.54 0.00 0.00 39.78 38.22 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 0.95 0.00 3.52 0.74 -0.29 -4.97 119.66 119.61 1de3 s GLN 142 Ca 0.10 -0.94 0.00 0.00 0.05 0.00 0.00 55.36 54.57 1de3 s GLN 142 Cb 0.11 0.38 0.00 0.00 1.10 0.00 0.00 33.01 34.60 1de3 s GLN 142 CO -0.05 -0.33 0.00 0.41 -0.55 0.00 0.00 175.29 174.77 1de3 n GLY 143 N -0.12 -0.49 3.52 2.59 0.00 -1.26 -3.25 105.19 106.17 1de3 n GLY 143 Ca -0.14 -1.66 -0.55 0.00 0.00 0.00 0.00 46.02 43.67 1de3 n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1de3 n GLU 144 N -0.31 0.43 -2.71 1.61 4.07 -1.26 -4.50 120.64 117.96 1de3 n GLU 144 Ca 0.00 0.15 -0.42 0.00 -0.06 0.00 0.00 57.16 56.83 1de3 n GLU 144 Cb 0.00 -1.63 -0.03 0.00 -0.06 0.00 0.00 31.44 29.72 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1de3 s LEU 145 N 0.54 4.39 -0.14 4.31 1.02 -1.26 -3.57 118.68 123.95 1de3 s LEU 145 Ca 0.84 1.68 -0.07 0.00 0.02 0.00 0.00 54.13 56.60 1de3 s LEU 145 Cb -1.10 -3.57 -0.04 0.00 0.02 0.00 0.00 46.19 41.50 1de3 s LEU 145 CO 0.54 -0.24 0.10 -0.75 0.02 0.00 0.00 176.35 176.02 1de3 s LYS 146 N 0.88 3.63 -0.38 1.70 2.20 0.46 -4.85 119.74 123.38 1de3 s LYS 146 Ca 0.51 -0.23 -0.27 0.00 -0.36 0.00 0.00 55.97 55.62 1de3 s LYS 146 Cb -0.21 -3.19 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1de3 s LYS 146 CO 0.28 0.57 2.15 -1.17 -0.36 0.00 0.00 175.35 176.83 1de3 s LEU 147 N -0.45 3.42 1.17 5.43 2.96 -1.26 -2.11 118.68 127.83 1de3 s LEU 147 Ca 0.11 1.32 -0.16 0.00 -0.22 0.00 0.00 54.13 55.18 1de3 s LEU 147 Cb -0.12 -3.07 0.20 0.00 0.50 0.00 0.00 46.19 43.71 1de3 s LEU 147 CO 0.02 -2.26 0.45 0.00 -1.32 0.00 0.00 176.35 173.24 1de3 s SER 149 N -2.09 1.54 0.00 0.00 1.04 -0.70 -4.83 113.70 108.65 1de3 s SER 149 Ca 0.61 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1de3 s SER 149 Cb -0.18 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 65.94 1de3 s SER 149 CO 0.65 -0.25 0.29 0.00 0.98 0.00 0.00 173.24 174.92