#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 -4.86 118.33 108.75 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 -2.00 3.41 -0.45 2.52 2.01 -1.26 0.05 115.64 119.92 1de3 s THR 3 Ca 0.00 -2.76 -0.26 0.00 0.31 0.00 0.00 61.69 58.97 1de3 s THR 3 Cb 0.00 -3.27 0.03 0.00 0.01 0.00 0.00 72.50 69.26 1de3 s THR 3 CO 0.00 -0.81 0.98 0.26 -0.69 0.00 0.00 174.62 174.36 1de3 s TRP 4 N 0.24 2.92 -0.20 4.92 0.52 -0.29 -3.97 118.94 123.07 1de3 s TRP 4 Ca 0.15 0.53 -0.03 0.00 0.02 0.00 0.00 56.10 56.77 1de3 s TRP 4 Cb -0.22 -4.04 -0.01 0.00 -1.15 0.00 0.00 33.47 28.06 1de3 s TRP 4 CO -0.03 -1.10 -0.05 0.99 0.02 0.00 0.00 176.95 176.77 1de3 s THR 5 N 3.89 3.38 -0.09 2.01 2.01 0.14 0.38 115.64 127.35 1de3 s THR 5 Ca 0.40 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1de3 s THR 5 Cb -0.10 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1de3 s THR 5 CO 0.26 0.44 -0.13 0.00 -0.69 0.00 0.00 174.62 174.51 1de3 n LEU 7 N 2.91 5.34 -4.87 0.00 4.77 -1.26 0.49 117.00 124.39 1de3 n LEU 7 Ca -0.18 -5.07 -0.31 0.00 -0.03 0.00 0.00 56.01 50.43 1de3 n LEU 7 Cb 0.52 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.19 1de3 n LEU 7 CO 0.28 1.41 0.58 0.20 -1.33 0.00 0.00 177.39 178.52 1de3 s ASN 8 N 0.89 6.47 0.00 -1.43 -0.87 -1.09 -4.70 114.94 114.22 1de3 s ASN 8 Ca 0.31 1.31 -0.04 0.00 -1.57 0.00 0.00 52.86 52.87 1de3 s ASN 8 Cb -0.09 -2.41 -0.04 0.00 -0.02 0.00 0.00 41.25 38.69 1de3 s ASN 8 CO -0.08 -0.57 0.22 -0.62 -2.57 0.00 0.00 177.10 173.48 1de3 s ASP 9 N -3.43 6.42 -0.08 -1.22 -1.08 -1.26 -1.25 116.67 114.77 1de3 s ASP 9 Ca 0.54 0.43 -0.03 0.00 -0.52 0.00 0.00 52.55 52.97 1de3 s ASP 9 Cb -0.10 -2.04 0.04 0.00 -1.46 0.00 0.00 42.92 39.36 1de3 s ASP 9 CO 0.37 0.25 0.09 -1.10 0.52 0.00 0.00 175.17 175.30 1de3 s GLN 10 N -1.90 -0.02 -1.05 4.34 -0.21 0.92 -0.70 119.66 121.03 1de3 s GLN 10 Ca 0.28 0.32 -0.21 0.00 0.02 0.00 0.00 55.36 55.77 1de3 s GLN 10 Cb -0.13 -0.74 0.08 0.00 1.00 0.00 0.00 33.01 33.22 1de3 s GLN 10 CO 0.18 -0.40 1.42 0.21 -2.12 0.00 0.00 175.29 174.58 1de3 s LYS 11 N 2.19 3.68 0.08 2.91 2.47 -1.26 -0.46 119.74 129.36 1de3 s LYS 11 Ca 0.04 -1.49 -0.32 0.00 -1.56 0.00 0.00 55.97 52.64 1de3 s LYS 11 Cb -0.13 -5.27 -0.11 0.00 -1.46 0.00 0.00 37.83 30.86 1de3 s LYS 11 CO -0.05 -2.09 1.82 -1.71 0.16 0.00 0.00 175.35 173.47 1de3 n ASN 12 N 8.10 3.80 0.18 1.43 5.15 0.18 -4.84 115.26 129.26 1de3 n ASN 12 Ca 0.34 0.99 0.05 0.00 -0.60 0.00 0.00 54.58 55.36 1de3 n ASN 12 Cb 0.49 -1.49 0.33 0.00 -0.53 0.00 0.00 39.78 38.58 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 8.41 0.00 0.48 1.20 0.13 -1.94 0.25 132.00 140.53 1de3 h PRO 13 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1de3 h PRO 13 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1de3 h PRO 13 CO 0.94 0.40 -0.23 -0.22 -0.23 0.00 0.00 178.00 178.65 1de3 h LYS 14 N 0.00 -0.62 0.00 0.86 3.11 -1.96 -3.26 116.57 114.70 1de3 h LYS 14 Ca -0.00 0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.66 1de3 h LYS 14 Cb 0.89 0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 32.23 1de3 h LYS 14 CO 0.05 -0.35 -1.10 1.79 -2.81 0.00 0.00 179.45 177.03 1de3 h THR 15 N -0.81 1.48 -0.28 1.00 1.35 -1.97 -3.48 112.91 110.21 1de3 h THR 15 Ca -0.07 -3.19 -0.12 0.00 -0.55 0.00 0.00 66.41 62.48 1de3 h THR 15 Cb 0.57 2.73 -0.05 0.00 -1.73 0.00 0.00 68.15 69.67 1de3 h THR 15 CO 0.11 0.85 -0.11 -3.20 -0.25 0.00 0.00 175.52 172.91 1de3 n ASN 16 N -3.28 -3.81 -4.53 5.36 2.85 0.87 -5.03 115.26 107.70 1de3 n ASN 16 Ca -0.03 0.15 -0.25 0.00 -0.11 0.00 0.00 54.58 54.33 1de3 n ASN 16 Cb 0.94 -1.83 -0.11 0.00 1.24 0.00 0.00 39.78 40.03 1de3 n ASN 16 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1de3 s LYS 17 N -2.37 1.79 -0.18 1.20 1.02 -1.16 -4.88 119.74 115.16 1de3 s LYS 17 Ca 0.00 -1.93 -0.13 0.00 0.02 0.00 0.00 55.97 53.93 1de3 s LYS 17 Cb 0.00 -1.61 -0.05 0.00 -0.52 0.00 0.00 37.83 35.65 1de3 s LYS 17 CO 0.00 0.11 0.26 0.71 -0.92 0.00 0.00 175.35 175.51 1de3 s TYR 18 N -2.68 3.43 0.08 3.18 2.02 -1.26 -0.65 117.35 121.48 1de3 s TYR 18 Ca 0.32 0.52 0.08 0.00 -0.37 0.00 0.00 57.07 57.62 1de3 s TYR 18 Cb 0.03 -2.32 -0.03 0.00 -0.40 0.00 0.00 41.96 39.24 1de3 s TYR 18 CO 0.16 0.21 -0.22 -1.21 -1.57 0.00 0.00 175.55 172.92 1de3 s GLU 19 N 0.58 1.25 -1.02 -0.62 2.02 0.39 -4.89 118.70 116.41 1de3 s GLU 19 Ca 0.14 -1.11 -0.08 0.00 0.02 0.00 0.00 54.97 53.94 1de3 s GLU 19 Cb -0.13 -1.49 0.26 0.00 0.10 0.00 0.00 34.13 32.87 1de3 s GLU 19 CO 0.03 0.36 0.99 0.99 0.02 0.00 0.00 175.26 177.65 1de3 s THR 20 N -1.03 5.56 0.82 3.63 2.01 -1.26 -0.06 115.64 125.31 1de3 s THR 20 Ca 0.08 -3.40 -0.10 0.00 0.31 0.00 0.00 61.69 58.58 1de3 s THR 20 Cb -0.10 -4.37 0.09 0.00 0.01 0.00 0.00 72.50 68.13 1de3 s THR 20 CO 0.04 -1.14 1.11 -0.54 -0.69 0.00 0.00 174.62 173.40 1de3 s LYS 21 N -1.09 1.83 -0.56 4.92 -0.14 -0.38 -4.83 119.74 119.50 1de3 s LYS 21 Ca 0.28 1.32 -0.08 0.00 -1.36 0.00 0.00 55.97 56.12 1de3 s LYS 21 Cb -0.10 -1.84 0.14 0.00 -1.68 0.00 0.00 37.83 34.36 1de3 s LYS 21 CO -0.09 -1.98 0.43 1.03 -0.76 0.00 0.00 175.35 173.97 1de3 s ARG 22 N -4.78 2.66 -1.14 1.68 0.52 -1.26 -2.67 118.95 113.96 1de3 s ARG 22 Ca 0.63 -2.03 -0.20 0.00 -0.52 0.00 0.00 55.73 53.61 1de3 s ARG 22 Cb -0.19 -3.96 0.08 0.00 0.52 0.00 0.00 34.95 31.39 1de3 s ARG 22 CO 0.56 -1.20 1.53 -0.51 0.02 0.00 0.00 175.30 175.70 1de3 s LEU 23 N 0.88 3.92 -0.18 2.53 1.02 0.18 -4.88 118.68 122.14 1de3 s LEU 23 Ca 0.10 -2.03 -0.27 0.00 0.02 0.00 0.00 54.13 51.95 1de3 s LEU 23 Cb -0.22 -2.54 -0.01 0.00 0.02 0.00 0.00 46.19 43.44 1de3 s LEU 23 CO -0.03 -1.27 0.91 -0.22 0.02 0.00 0.00 176.35 175.77 1de3 s LEU 24 N 4.16 4.16 0.35 1.79 1.98 -1.26 0.03 118.68 129.89 1de3 s LEU 24 Ca 0.47 1.27 0.09 0.00 -2.89 0.00 0.00 54.13 53.08 1de3 s LEU 24 Cb 0.01 -3.36 -0.06 0.00 0.66 0.00 0.00 46.19 43.44 1de3 s LEU 24 CO -0.02 -0.49 0.01 -0.31 -1.89 0.00 0.00 176.35 173.65 1de3 s TYR 25 N 2.46 2.54 -0.18 5.38 1.51 0.16 -4.74 117.35 124.47 1de3 s TYR 25 Ca 0.41 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.99 1de3 s TYR 25 Cb -0.16 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.16 1de3 s TYR 25 CO 0.11 0.47 -0.09 1.21 -1.11 0.00 0.00 175.55 176.14 1de3 s ASN 26 N -3.72 4.05 0.40 2.29 2.47 -1.26 -1.14 114.94 118.03 1de3 s ASN 26 Ca 0.35 -0.40 0.10 0.00 0.42 0.00 0.00 52.86 53.33 1de3 s ASN 26 Cb 0.01 -1.66 0.89 0.00 -1.45 0.00 0.00 41.25 39.03 1de3 s ASN 26 CO 0.19 0.05 1.97 -0.61 -3.72 0.00 0.00 177.10 174.98 1de3 h GLN 27 N 7.58 0.56 -0.08 0.43 4.15 -0.72 -1.39 115.11 125.63 1de3 h GLN 27 Ca -0.37 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.06 1de3 h GLN 27 Cb 1.18 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.69 1de3 h GLN 27 CO 0.59 0.37 -0.22 -0.97 -1.93 0.00 0.00 178.83 176.67 1de3 h ASN 28 N 0.58 -0.68 -0.14 -0.69 -1.24 -1.89 0.62 115.58 112.13 1de3 h ASN 28 Ca 0.29 0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.36 1de3 h ASN 28 Cb 0.38 0.30 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 1de3 h ASN 28 CO -0.09 -0.28 -0.03 0.50 -1.29 0.00 0.00 177.43 176.24 1de3 h LYS 29 N -0.31 0.40 0.45 6.67 3.11 -1.75 0.36 116.57 125.50 1de3 h LYS 29 Ca 0.08 -0.08 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1de3 h LYS 29 Cb 0.43 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 1de3 h LYS 29 CO -0.26 0.45 -0.22 0.00 -2.81 0.00 0.00 179.45 176.62 1de3 h ALA 30 N 1.59 -0.69 -0.75 5.00 0.00 -0.14 0.48 119.26 124.74 1de3 h ALA 30 Ca 0.08 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1de3 h ALA 30 Cb 0.30 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1de3 h ALA 30 CO 0.01 -0.65 0.50 1.05 0.00 0.00 0.00 179.25 180.16 1de3 h GLU 31 N -1.01 0.58 -0.01 0.00 -0.00 0.30 0.18 114.58 114.62 1de3 h GLU 31 Ca -0.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.36 59.25 1de3 h GLU 31 Cb 0.47 -0.13 0.00 0.00 -0.00 0.00 0.00 28.75 29.09 1de3 h GLU 31 CO 0.10 0.38 -0.03 1.03 -0.00 0.00 0.00 179.01 180.49 1de3 h SER 32 N 0.60 0.05 -0.10 3.06 0.87 -0.21 -1.20 113.55 116.61 1de3 h SER 32 Ca 0.36 -0.59 0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1de3 h SER 32 Cb 0.57 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1de3 h SER 32 CO -0.13 0.63 -0.05 -1.13 -0.53 0.00 0.00 176.83 175.62 1de3 h ASN 33 N -0.53 -0.17 -0.62 6.23 -0.73 0.43 -0.52 115.58 119.66 1de3 h ASN 33 Ca -0.00 0.04 0.09 0.00 1.87 0.00 0.00 56.30 58.31 1de3 h ASN 33 Cb 0.63 0.10 -0.04 0.00 0.27 0.00 0.00 38.32 39.27 1de3 h ASN 33 CO 0.01 -0.07 0.42 0.77 -0.37 0.00 0.00 177.43 178.18 1de3 h SER 34 N -0.05 0.42 -0.04 1.15 4.64 -0.97 0.92 113.55 119.62 1de3 h SER 34 Ca 0.06 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1de3 h SER 34 Cb 0.13 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1de3 h SER 34 CO -0.13 0.25 0.00 1.41 -0.87 0.00 0.00 176.83 177.49 1de3 n HIS 35 N -4.47 0.06 -0.02 4.77 8.25 -0.29 -3.27 115.22 120.25 1de3 n HIS 35 Ca 0.10 -0.03 -0.06 0.00 -0.26 0.00 0.00 57.72 57.48 1de3 n HIS 35 Cb 0.35 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 1de3 n HIS 35 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1de3 n HIS 36 N -0.46 0.00 -1.68 4.41 -0.00 0.14 -5.03 115.22 112.60 1de3 n HIS 36 Ca 0.08 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.37 1de3 n HIS 36 Cb 0.08 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.99 29.85 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 -3.50 1.17 -1.77 1.57 0.00 -0.17 -4.95 120.51 112.86 1de3 n ALA 37 Ca -0.10 0.38 -0.36 0.00 0.00 0.00 0.00 53.44 53.37 1de3 n ALA 37 Cb 0.41 -2.25 -0.00 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.31 3.51 -1.11 0.00 0.04 -1.26 -4.93 135.00 129.94 1de3 s PRO 38 Ca 0.60 1.66 -0.18 0.00 0.04 0.00 0.00 61.00 63.11 1de3 s PRO 38 Cb -0.60 -2.14 0.11 0.00 0.04 0.00 0.00 34.50 31.90 1de3 s PRO 38 CO 0.57 -0.73 1.42 -0.51 0.04 0.00 0.00 177.00 177.80 1de3 s LEU 39 N -3.52 4.40 -0.29 -3.56 1.43 -1.26 -4.38 118.68 111.49 1de3 s LEU 39 Ca 0.69 -2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 51.42 1de3 s LEU 39 Cb -0.25 -2.48 0.12 0.00 0.03 0.00 0.00 46.19 43.61 1de3 s LEU 39 CO 0.29 -1.12 0.77 -0.94 0.23 0.00 0.00 176.35 175.58 1de3 s SER 40 N 3.89 -0.90 -0.22 2.29 1.04 -1.26 -5.01 113.70 113.54 1de3 s SER 40 Ca 0.43 1.32 -0.29 0.00 0.48 0.00 0.00 55.95 57.89 1de3 s SER 40 Cb -0.01 1.76 -0.01 0.00 0.10 0.00 0.00 66.02 67.86 1de3 s SER 40 CO -0.03 -0.19 1.26 -0.62 0.98 0.00 0.00 173.24 174.63 1de3 s ASP 41 N 2.21 6.86 -0.77 7.02 2.15 -1.21 -4.03 116.67 128.91 1de3 s ASP 41 Ca -0.07 1.50 -0.02 0.00 0.43 0.00 0.00 52.55 54.39 1de3 s ASP 41 Cb -0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1de3 s ASP 41 CO -0.18 -0.86 0.64 0.61 -0.17 0.00 0.00 175.17 175.21 1de3 n GLY 42 N 3.83 -1.24 1.26 2.66 0.00 -1.10 -4.45 105.19 106.15 1de3 n GLY 42 Ca 0.14 0.59 -0.02 0.00 0.00 0.00 0.00 46.02 46.73 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 -2.15 0.03 -4.21 1.61 0.00 -1.09 -5.03 118.16 107.31 1de3 n LYS 43 Ca -0.18 -1.48 -0.15 0.00 0.00 0.00 0.00 58.31 56.50 1de3 n LYS 43 Cb 0.61 0.25 -0.08 0.00 0.00 0.00 0.00 35.03 35.81 1de3 n LYS 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1de3 s THR 44 N -0.03 0.00 0.03 3.15 2.01 -1.24 -5.01 115.64 114.54 1de3 s THR 44 Ca 0.16 -1.92 -0.09 0.00 0.31 0.00 0.00 61.69 60.14 1de3 s THR 44 Cb 0.18 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1de3 s THR 44 CO -0.08 0.00 1.15 1.23 -0.69 0.00 0.00 174.62 176.23 1de3 h GLY 45 N 2.33 -1.17 0.96 4.40 0.00 -1.49 -1.30 103.07 106.80 1de3 h GLY 45 Ca -0.30 0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1de3 h GLY 45 CO 0.43 -0.40 0.00 -1.14 0.00 0.00 0.00 176.54 175.43 1de3 n SER 46 N -3.25 0.00 0.00 0.19 3.41 0.11 -3.96 113.62 110.13 1de3 n SER 46 Ca -0.02 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 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 -1.54 -0.16 0.00 0.00 175.04 173.34 1de3 n SER 47 N -0.98 0.00 -4.70 4.04 3.41 -0.49 -4.99 113.62 109.91 1de3 n SER 47 Ca 0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.32 1de3 n SER 47 Cb 0.06 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1de3 n SER 47 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1de3 n TYR 48 N 0.00 2.15 -2.67 7.33 4.01 -1.26 -2.69 117.16 124.04 1de3 n TYR 48 Ca 0.00 0.52 -0.43 0.00 -0.16 0.00 0.00 57.90 57.83 1de3 n TYR 48 Cb 0.00 -2.38 -0.02 0.00 -0.31 0.00 0.00 39.34 36.62 1de3 n TYR 48 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1de3 s PRO 49 N -2.10 4.39 -0.05 -0.72 0.04 -1.26 -4.47 135.00 130.83 1de3 s PRO 49 Ca 0.59 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.88 1de3 s PRO 49 Cb -0.53 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 1de3 s PRO 49 CO 0.59 -0.38 0.41 -3.38 0.04 0.00 0.00 177.00 174.28 1de3 s HIS 50 N 2.23 3.64 0.12 0.56 -3.43 -1.19 -2.72 115.29 114.50 1de3 s HIS 50 Ca 0.48 0.92 -0.35 0.00 -0.80 0.00 0.00 55.06 55.30 1de3 s HIS 50 Cb -0.18 -2.35 -0.16 0.00 -1.43 0.00 0.00 32.58 28.45 1de3 s HIS 50 CO 0.16 0.48 1.30 1.87 -2.00 0.00 0.00 174.74 176.56 1de3 n TRP 51 N 2.47 1.49 -3.30 0.38 -0.00 -1.26 -2.01 117.44 115.21 1de3 n TRP 51 Ca -0.12 0.63 -0.46 0.00 -0.00 0.00 0.00 57.50 57.55 1de3 n TRP 51 Cb 0.52 -2.33 -0.04 0.00 -0.00 0.00 0.00 31.31 29.47 1de3 n TRP 51 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1de3 s PHE 52 N 0.30 3.40 0.21 5.87 5.36 0.19 -4.83 117.98 128.49 1de3 s PHE 52 Ca 0.81 -1.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.29 1de3 s PHE 52 Cb -0.91 -3.83 0.52 0.00 -0.34 0.00 0.00 43.02 38.45 1de3 s PHE 52 CO 0.48 -1.04 1.03 0.25 -1.46 0.00 0.00 175.22 174.48 1de3 n THR 53 N 4.84 -0.28 -2.20 0.12 -2.24 -1.26 -4.44 114.28 108.82 1de3 n THR 53 Ca -0.04 1.44 -0.09 0.00 -2.27 0.00 0.00 64.05 63.09 1de3 n THR 53 Cb 0.43 -2.11 -0.01 0.00 -2.10 0.00 0.00 70.33 66.53 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 -4.86 -3.03 0.00 3.42 5.15 -1.26 -0.26 115.26 114.42 1de3 n ASN 54 Ca 0.16 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1de3 n ASN 54 Cb 0.52 -2.68 0.00 0.00 -0.53 0.00 0.00 39.78 37.09 1de3 n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1de3 n GLY 55 N -0.61 3.11 3.77 8.20 0.00 -1.26 -3.60 105.19 114.80 1de3 n GLY 55 Ca -0.11 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.37 2.86 -1.49 1.61 2.02 0.64 -3.86 117.35 118.76 1de3 s TYR 56 Ca 0.00 1.54 0.28 0.00 -0.37 0.00 0.00 57.07 58.52 1de3 s TYR 56 Cb 0.00 -3.35 1.03 0.00 -0.40 0.00 0.00 41.96 39.24 1de3 s TYR 56 CO 0.00 -1.48 1.74 -0.25 -1.57 0.00 0.00 175.55 173.99 1de3 n ASP 57 N -0.62 0.52 0.00 2.29 9.92 0.30 -4.39 116.55 124.57 1de3 n ASP 57 Ca 0.08 -0.46 0.00 0.00 -0.53 0.00 0.00 54.79 53.88 1de3 n ASP 57 Cb 0.49 -0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 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 1.35 1.17 0.07 0.44 0.00 -1.26 -4.90 105.19 102.06 1de3 n GLY 58 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1de3 n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1de3 n ASP 59 N 0.00 1.59 0.00 1.61 8.00 -1.26 -0.17 116.55 126.32 1de3 n ASP 59 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1de3 n ASP 59 Cb 0.00 0.78 0.00 0.00 -0.02 0.00 0.00 41.12 41.88 1de3 n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1de3 n GLY 60 N 2.16 0.57 3.71 0.44 0.00 -1.26 -4.85 105.19 105.96 1de3 n GLY 60 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1de3 n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1de3 n LYS 61 N 0.00 2.72 -4.52 1.61 5.02 -1.26 -4.63 118.16 117.10 1de3 n LYS 61 Ca 0.00 0.98 -0.25 0.00 -2.02 0.00 0.00 58.31 57.02 1de3 n LYS 61 Cb 0.00 -2.83 -0.10 0.00 -0.02 0.00 0.00 35.03 32.07 1de3 n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1de3 s LEU 62 N 1.50 2.69 0.00 -0.35 1.43 -1.26 0.11 118.68 122.80 1de3 s LEU 62 Ca 0.77 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1de3 s LEU 62 Cb -0.52 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 44.70 1de3 s LEU 62 CO 0.34 -0.16 0.11 -0.81 0.23 0.00 0.00 176.35 176.06 1de3 n PRO 63 N -0.75 0.00 -1.16 1.29 -0.04 -1.25 -4.25 135.00 128.84 1de3 n PRO 63 Ca -0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.07 1de3 n PRO 63 Cb 0.63 -0.49 -0.03 0.00 -0.04 0.00 0.00 33.50 33.57 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 -0.32 3.24 0.00 0.54 4.81 -1.26 -4.64 118.16 120.53 1de3 n LYS 64 Ca 0.00 -1.96 0.00 0.00 -0.87 0.00 0.00 58.31 55.48 1de3 n LYS 64 Cb 0.00 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.38 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 3.57 1.10 3.15 3.14 0.00 -1.26 -4.31 105.19 110.58 1de3 n GLY 65 Ca 0.69 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.76 1de3 n GLY 65 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1de3 s ARG 66 N 0.00 0.06 -0.39 1.61 3.52 -1.26 -4.19 118.95 118.30 1de3 s ARG 66 Ca 0.00 0.07 0.11 0.00 -0.13 0.00 0.00 55.73 55.79 1de3 s ARG 66 Cb 0.00 0.04 0.43 0.00 -1.56 0.00 0.00 34.95 33.86 1de3 s ARG 66 CO 0.00 -0.09 1.02 -2.37 -0.81 0.00 0.00 175.30 173.05 1de3 n THR 67 N 5.20 1.68 -2.39 4.11 5.66 -1.26 -5.05 114.28 122.22 1de3 n THR 67 Ca 0.04 -4.07 -0.41 0.00 -3.05 0.00 0.00 64.05 56.56 1de3 n THR 67 Cb 0.57 -0.34 -0.03 0.00 -1.55 0.00 0.00 70.33 68.98 1de3 n THR 67 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1de3 s PRO 68 N -3.31 4.48 -0.22 1.09 0.04 -1.25 -4.62 135.00 131.19 1de3 s PRO 68 Ca 0.38 1.84 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 1de3 s PRO 68 Cb 0.42 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1de3 s PRO 68 CO -0.08 -0.13 2.04 0.42 0.04 0.00 0.00 177.00 179.29 1de3 s ILE 69 N 0.26 3.18 0.11 0.56 1.01 -1.24 -4.95 121.20 120.14 1de3 s ILE 69 Ca 0.54 0.19 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 1de3 s ILE 69 Cb -0.32 -3.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 1de3 s ILE 69 CO 0.34 -0.13 0.79 -1.59 0.00 0.00 0.00 174.94 174.35 1de3 s LYS 70 N 5.87 4.55 -0.07 2.79 -2.85 -1.26 -4.81 119.74 123.96 1de3 s LYS 70 Ca 0.92 1.14 0.07 0.00 -1.00 0.00 0.00 55.97 57.10 1de3 s LYS 70 Cb -0.31 -3.32 -0.10 0.00 -2.06 0.00 0.00 37.83 32.05 1de3 s LYS 70 CO 0.35 0.42 0.05 1.19 0.10 0.00 0.00 175.35 177.45 1de3 n PHE 71 N 2.22 0.00 0.00 1.78 3.01 -1.26 -4.93 117.46 118.28 1de3 n PHE 71 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 1de3 n PHE 71 Cb 0.49 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 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 2.46 1.14 3.37 1.37 0.00 -1.26 -4.98 105.19 107.29 1de3 n GLY 72 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.11 3.34 0.64 1.61 -0.14 -1.26 -4.96 119.74 118.86 1de3 s LYS 73 Ca 0.00 -0.68 0.33 0.00 -1.36 0.00 0.00 55.97 54.26 1de3 s LYS 73 Cb 0.00 -3.28 1.83 0.00 -1.68 0.00 0.00 37.83 34.70 1de3 s LYS 73 CO 0.00 -0.31 2.08 1.03 -0.76 0.00 0.00 175.35 177.39 1de3 h SER 74 N 8.21 0.00 0.65 2.83 0.87 -1.99 0.18 113.55 124.31 1de3 h SER 74 Ca -0.36 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 59.93 1de3 h SER 74 Cb 1.15 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.08 1de3 h SER 74 CO 0.59 0.00 -1.42 0.44 -0.53 0.00 0.00 176.83 175.91 1de3 h ASP 75 N 0.00 0.11 0.90 6.23 3.32 -1.96 -2.27 116.42 122.75 1de3 h ASP 75 Ca 0.04 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 56.78 1de3 h ASP 75 Cb 0.49 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1de3 h ASP 75 CO -0.00 1.13 -0.73 0.00 -1.72 0.00 0.00 179.24 177.93 1de3 h ASP 77 N 0.00 0.00 -3.10 0.00 3.58 -0.94 -3.48 116.42 112.47 1de3 h ASP 77 Ca -0.01 -0.01 -0.54 0.00 0.42 0.00 0.00 57.03 56.90 1de3 h ASP 77 Cb 1.37 0.00 0.22 0.00 1.72 0.00 0.00 39.33 42.64 1de3 h ASP 77 CO 0.09 0.00 -0.81 -2.11 -2.88 0.00 0.00 179.24 173.54 1de3 n ARG 78 N -2.87 -0.17 -2.28 0.28 1.85 -0.85 -4.90 116.66 107.73 1de3 n ARG 78 Ca 0.04 -0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.45 1de3 n ARG 78 Cb 0.51 -1.68 -0.02 0.00 -1.05 0.00 0.00 32.46 30.21 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 -3.20 3.89 -0.39 2.89 0.04 -1.26 -4.96 135.00 132.01 1de3 s PRO 79 Ca 0.55 1.48 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 1de3 s PRO 79 Cb -0.22 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1de3 s PRO 79 CO 0.69 -1.16 1.40 -1.25 0.04 0.00 0.00 177.00 176.72 1de3 s PRO 80 N 4.34 3.64 -1.37 0.56 0.04 -1.26 -4.90 135.00 136.05 1de3 s PRO 80 Ca 0.63 1.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.54 1de3 s PRO 80 Cb -0.21 -4.00 0.08 0.00 0.04 0.00 0.00 34.50 30.41 1de3 s PRO 80 CO 0.25 -1.48 1.98 1.17 0.04 0.00 0.00 177.00 178.96 1de3 n LYS 81 N 7.93 3.13 -2.79 4.56 4.81 -1.20 -4.09 118.16 130.52 1de3 n LYS 81 Ca 0.16 -3.05 -0.41 0.00 -0.87 0.00 0.00 58.31 54.14 1de3 n LYS 81 Cb 0.48 -3.24 -0.03 0.00 0.02 0.00 0.00 35.03 32.25 1de3 n LYS 81 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1de3 s HIS 82 N 2.73 3.64 0.00 5.64 5.65 0.76 -3.73 115.29 129.97 1de3 s HIS 82 Ca 0.47 1.59 0.00 0.00 0.25 0.00 0.00 55.06 57.37 1de3 s HIS 82 Cb 0.09 -3.05 0.00 0.00 -1.18 0.00 0.00 32.58 28.45 1de3 s HIS 82 CO -0.02 0.01 0.00 0.45 -0.65 0.00 0.00 174.74 174.52 1de3 n SER 83 N 3.89 0.00 0.31 9.88 2.88 -1.26 -4.49 113.62 124.82 1de3 n SER 83 Ca 0.04 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.45 1de3 n SER 83 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 1de3 n SER 83 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1de3 h LYS 84 N 0.00 -0.79 -0.49 -1.46 1.79 -1.97 -3.32 116.57 110.34 1de3 h LYS 84 Ca 0.00 0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 1de3 h LYS 84 Cb 0.00 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 1de3 h LYS 84 CO 0.00 -0.50 0.06 -0.40 -1.08 0.00 0.00 179.45 177.53 1de3 n ASP 85 N -5.33 4.63 -4.12 0.86 5.75 -1.26 -4.93 116.55 112.15 1de3 n ASP 85 Ca -0.11 -3.10 -0.29 0.00 -0.01 0.00 0.00 54.79 51.28 1de3 n ASP 85 Cb 0.34 -0.65 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 1de3 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1de3 n GLY 86 N -0.11 -0.24 2.68 6.12 0.00 -1.25 -3.30 105.19 109.10 1de3 n GLY 86 Ca 0.29 0.15 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 1de3 n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1de3 n ASN 87 N -2.89 -2.74 0.00 1.61 6.94 -1.26 -3.80 115.26 113.13 1de3 n ASN 87 Ca -0.24 -3.02 0.00 0.00 -0.02 0.00 0.00 54.58 51.30 1de3 n ASN 87 Cb 0.65 1.44 0.00 0.00 -2.36 0.00 0.00 39.78 39.51 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 2.28 3.99 0.10 4.83 0.00 -1.26 -4.96 105.19 110.15 1de3 n GLY 88 Ca 0.15 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 1de3 n GLY 88 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1de3 h LYS 89 N 0.00 -0.20 -1.78 1.61 1.63 -2.00 -3.39 116.57 112.44 1de3 h LYS 89 Ca 0.00 0.01 -0.55 0.00 -0.85 0.00 0.00 60.65 59.26 1de3 h LYS 89 Cb 0.00 0.04 -0.42 0.00 -0.60 0.00 0.00 32.23 31.26 1de3 h LYS 89 CO 0.00 -0.13 -0.80 0.25 -3.45 0.00 0.00 179.45 175.32 1de3 n THR 90 N -3.43 2.20 -0.56 1.00 -2.24 -1.26 -4.96 114.28 105.03 1de3 n THR 90 Ca -0.03 -4.91 -0.21 0.00 -2.27 0.00 0.00 64.05 56.64 1de3 n THR 90 Cb 0.08 -0.98 -0.03 0.00 -2.10 0.00 0.00 70.33 67.30 1de3 n THR 90 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1de3 n ASP 91 N -0.27 2.78 -3.50 3.42 5.75 -1.26 -4.74 116.55 118.73 1de3 n ASP 91 Ca 0.31 -2.30 -0.40 0.00 -0.01 0.00 0.00 54.79 52.39 1de3 n ASP 91 Cb 0.58 -0.87 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 1de3 n ASP 91 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1de3 n HIS 92 N 5.33 2.76 -2.95 2.11 1.44 -1.24 -4.85 115.22 117.82 1de3 n HIS 92 Ca 0.32 -2.98 -0.24 0.00 -2.01 0.00 0.00 57.72 52.82 1de3 n HIS 92 Cb 0.16 -2.30 0.01 0.00 0.12 0.00 0.00 29.99 27.98 1de3 n HIS 92 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1de3 s TYR 93 N 1.45 3.27 -0.40 -1.40 1.13 -1.26 -3.21 117.35 116.93 1de3 s TYR 93 Ca 0.58 0.32 -0.20 0.00 -1.41 0.00 0.00 57.07 56.35 1de3 s TYR 93 Cb 0.16 -2.31 0.01 0.00 -1.10 0.00 0.00 41.96 38.72 1de3 s TYR 93 CO -0.07 -0.35 0.61 -0.51 -2.51 0.00 0.00 175.55 172.72 1de3 s LEU 94 N -4.58 4.42 0.31 -3.49 1.43 -1.26 -3.47 118.68 112.05 1de3 s LEU 94 Ca 0.48 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1de3 s LEU 94 Cb -0.10 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1de3 s LEU 94 CO 0.39 -0.67 0.49 -0.76 0.23 0.00 0.00 176.35 176.03 1de3 s LEU 95 N 2.68 4.10 0.12 1.79 1.02 -0.50 0.57 118.68 128.47 1de3 s LEU 95 Ca 0.22 0.29 0.02 0.00 0.02 0.00 0.00 54.13 54.68 1de3 s LEU 95 Cb -0.15 -3.13 -0.04 0.00 0.02 0.00 0.00 46.19 42.89 1de3 s LEU 95 CO 0.17 -0.24 -0.05 -1.83 0.02 0.00 0.00 176.35 174.42 1de3 s GLU 96 N -4.21 0.91 -0.14 1.70 -1.05 -0.85 -2.61 118.70 112.45 1de3 s GLU 96 Ca 0.38 -1.39 -0.13 0.00 -0.15 0.00 0.00 54.97 53.69 1de3 s GLU 96 Cb -0.09 -0.21 0.04 0.00 -0.44 0.00 0.00 34.13 33.43 1de3 s GLU 96 CO 0.34 -0.05 0.37 0.12 0.95 0.00 0.00 175.26 176.98 1de3 s PHE 97 N -3.64 -0.42 -0.96 4.83 2.19 -0.55 -3.16 117.98 116.27 1de3 s PHE 97 Ca 0.15 1.01 -0.24 0.00 0.33 0.00 0.00 56.93 58.18 1de3 s PHE 97 Cb 0.06 0.14 -0.07 0.00 -1.31 0.00 0.00 43.02 41.84 1de3 s PHE 97 CO -0.02 -0.20 2.00 -1.25 1.83 0.00 0.00 175.22 177.57 1de3 s PRO 98 N 0.27 2.39 -0.39 10.12 0.04 -1.26 -0.63 135.00 145.54 1de3 s PRO 98 Ca -0.01 -0.41 -0.28 0.00 0.04 0.00 0.00 61.00 60.34 1de3 s PRO 98 Cb -0.03 -5.07 0.02 0.00 0.04 0.00 0.00 34.50 29.46 1de3 s PRO 98 CO -0.00 -3.71 1.05 -0.08 0.04 0.00 0.00 177.00 174.30 1de3 s THR 99 N 11.05 4.43 0.31 1.26 -1.32 -1.13 -4.73 115.64 125.51 1de3 s THR 99 Ca 0.72 1.40 -0.15 0.00 -1.21 0.00 0.00 61.69 62.45 1de3 s THR 99 Cb -0.06 -4.46 -0.09 0.00 -1.51 0.00 0.00 72.50 66.39 1de3 s THR 99 CO 0.04 -0.68 0.71 -0.36 -2.21 0.00 0.00 174.62 172.12 1de3 s PHE 100 N 3.87 3.39 0.09 9.09 0.40 -1.26 -4.61 117.98 128.94 1de3 s PHE 100 Ca 0.44 1.19 -0.12 0.00 -0.60 0.00 0.00 56.93 57.84 1de3 s PHE 100 Cb -0.10 -2.51 -0.20 0.00 0.51 0.00 0.00 43.02 40.71 1de3 s PHE 100 CO 0.22 0.13 1.21 -1.00 0.70 0.00 0.00 175.22 176.48 1de3 h PRO 101 N 2.35 0.65 -1.44 0.24 0.13 -1.91 -3.17 132.00 128.85 1de3 h PRO 101 Ca -0.48 -0.70 0.44 0.00 -0.87 0.00 0.00 66.00 64.39 1de3 h PRO 101 Cb 1.17 0.20 -0.10 0.00 0.13 0.00 0.00 31.00 32.40 1de3 h PRO 101 CO 0.66 1.29 0.98 -0.44 -0.23 0.00 0.00 178.00 180.25 1de3 h ASP 102 N 0.36 0.16 0.00 1.44 5.19 -1.96 -3.45 116.42 118.17 1de3 h ASP 102 Ca -0.12 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 1de3 h ASP 102 Cb 1.68 0.06 0.00 0.00 0.18 0.00 0.00 39.33 41.25 1de3 h ASP 102 CO 0.20 -0.08 0.00 0.61 -3.12 0.00 0.00 179.24 176.85 1de3 n GLY 103 N -1.66 0.94 3.89 2.75 0.00 -1.20 -5.08 105.19 104.83 1de3 n GLY 103 Ca 0.36 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 3.45 -1.10 1.61 -3.43 -1.26 -5.01 115.29 107.54 1de3 s HIS 104 Ca 0.00 0.79 -0.10 0.00 -0.80 0.00 0.00 55.06 54.95 1de3 s HIS 104 Cb 0.00 -2.20 0.27 0.00 -1.43 0.00 0.00 32.58 29.21 1de3 s HIS 104 CO 0.00 0.21 1.12 0.16 -2.00 0.00 0.00 174.74 174.23 1de3 s ASP 105 N -2.74 7.27 0.10 7.38 1.47 -1.26 -4.32 116.67 124.57 1de3 s ASP 105 Ca 0.46 -3.49 -0.22 0.00 1.18 0.00 0.00 52.55 50.48 1de3 s ASP 105 Cb -0.11 -2.23 -0.13 0.00 -0.34 0.00 0.00 42.92 40.12 1de3 s ASP 105 CO 0.25 -0.35 0.48 0.00 0.68 0.00 0.00 175.17 176.24 1de3 n TYR 106 N 3.05 -0.13 -1.94 2.11 9.36 -1.26 -4.71 117.16 123.63 1de3 n TYR 106 Ca 0.24 0.71 -0.24 0.00 3.32 0.00 0.00 57.90 61.93 1de3 n TYR 106 Cb 0.40 -1.43 -0.07 0.00 -0.63 0.00 0.00 39.34 37.62 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 -0.52 2.23 0.16 2.98 0.00 -1.26 -4.69 119.74 118.64 1de3 s LYS 107 Ca 0.51 -0.57 0.26 0.00 0.00 0.00 0.00 55.97 56.17 1de3 s LYS 107 Cb -0.73 -5.09 0.92 0.00 0.00 0.00 0.00 37.83 32.93 1de3 s LYS 107 CO 0.40 -4.04 1.80 1.97 0.00 0.00 0.00 175.35 175.49 1de3 n PHE 108 N 15.47 0.68 0.97 1.78 -1.74 -1.26 -2.64 117.46 130.72 1de3 n PHE 108 Ca 0.43 0.20 0.12 0.00 -0.56 0.00 0.00 57.45 57.64 1de3 n PHE 108 Cb 0.46 -0.83 0.27 0.00 1.52 0.00 0.00 39.48 40.90 1de3 n PHE 108 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1de3 n ASP 109 N -2.06 0.48 -4.46 5.98 2.03 -1.26 0.09 116.55 117.34 1de3 n ASP 109 Ca 0.06 -0.17 -0.43 0.00 0.52 0.00 0.00 54.79 54.77 1de3 n ASP 109 Cb 0.39 0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.95 1de3 n ASP 109 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1de3 s SER 110 N -3.09 6.43 0.04 1.67 0.15 -1.08 -3.17 113.70 114.65 1de3 s SER 110 Ca 0.11 -1.57 -0.28 0.00 0.70 0.00 0.00 55.95 54.92 1de3 s SER 110 Cb 0.17 -2.42 -0.15 0.00 -1.71 0.00 0.00 66.02 61.91 1de3 s SER 110 CO 0.69 -1.26 1.42 0.50 1.20 0.00 0.00 173.24 175.79 1de3 h LYS 111 N 9.22 -0.95 -3.81 5.44 3.64 -1.88 -3.25 116.57 124.99 1de3 h LYS 111 Ca -0.02 0.06 -0.45 0.00 -1.27 0.00 0.00 60.65 58.98 1de3 h LYS 111 Cb 1.04 0.22 -0.38 0.00 -0.41 0.00 0.00 32.23 32.70 1de3 h LYS 111 CO 1.17 -0.63 -0.77 0.21 -2.27 0.00 0.00 179.45 177.15 1de3 s LYS 112 N -5.18 0.77 1.00 1.90 2.47 -1.26 -3.88 119.74 115.56 1de3 s LYS 112 Ca -0.15 0.04 -0.17 0.00 -1.56 0.00 0.00 55.97 54.13 1de3 s LYS 112 Cb 0.02 -1.06 0.23 0.00 -1.46 0.00 0.00 37.83 35.56 1de3 s LYS 112 CO 0.44 -0.28 1.31 -0.35 0.16 0.00 0.00 175.35 176.62 1de3 n PRO 113 N 5.04 -1.48 -3.24 4.03 -0.04 -1.26 -5.19 135.00 132.87 1de3 n PRO 113 Ca -0.09 -2.02 0.03 0.00 -0.04 0.00 0.00 63.50 61.38 1de3 n PRO 113 Cb 0.50 -1.39 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -5.86 0.55 0.57 0.54 2.20 -1.25 -4.72 119.74 111.77 1de3 s LYS 114 Ca 0.75 1.05 -0.20 0.00 -0.36 0.00 0.00 55.97 57.21 1de3 s LYS 114 Cb -0.02 0.59 -0.04 0.00 -1.51 0.00 0.00 37.83 36.85 1de3 s LYS 114 CO 0.53 -0.52 1.25 -2.00 -0.36 0.00 0.00 175.35 174.24 1de3 s GLU 115 N 2.87 3.05 0.32 4.03 2.12 -1.26 -4.98 118.70 124.85 1de3 s GLU 115 Ca 0.15 1.94 -0.28 0.00 0.36 0.00 0.00 54.97 57.13 1de3 s GLU 115 Cb -0.14 -2.04 -0.13 0.00 0.26 0.00 0.00 34.13 32.08 1de3 s GLU 115 CO -0.20 -1.17 1.23 -1.71 -0.54 0.00 0.00 175.26 172.87 1de3 n ASN 116 N -1.38 2.40 -3.19 -1.70 2.85 -1.26 -5.00 115.26 107.99 1de3 n ASN 116 Ca 0.12 1.20 -0.20 0.00 -0.11 0.00 0.00 54.58 55.59 1de3 n ASN 116 Cb 0.48 -1.43 0.16 0.00 1.24 0.00 0.00 39.78 40.24 1de3 n ASN 116 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1de3 n PRO 117 N 0.73 -2.42 -3.60 1.20 -0.04 -1.26 -5.09 135.00 124.52 1de3 n PRO 117 Ca 0.06 -1.14 -0.20 0.00 -0.04 0.00 0.00 63.50 62.19 1de3 n PRO 117 Cb 0.35 -1.07 -0.02 0.00 -0.04 0.00 0.00 33.50 32.72 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 -3.78 1.69 -0.00 0.55 0.00 -1.26 -5.06 107.32 99.46 1de3 s GLY 118 Ca 0.46 -1.55 -0.21 0.00 0.00 0.00 0.00 44.72 43.42 1de3 s GLY 118 CO 0.36 -1.47 1.15 -0.56 0.00 0.00 0.00 173.10 172.58 1de3 h PRO 119 N 1.03 0.31 -6.18 2.90 0.13 -1.91 -3.44 132.00 124.85 1de3 h PRO 119 Ca -0.45 -0.27 -0.55 0.00 -0.87 0.00 0.00 66.00 63.85 1de3 h PRO 119 Cb 1.26 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 1de3 h PRO 119 CO 0.55 0.93 0.12 0.00 -0.23 0.00 0.00 178.00 179.37 1de3 s ALA 120 N -3.52 3.36 -0.01 -0.56 0.00 -1.26 -3.29 121.76 116.48 1de3 s ALA 120 Ca -0.14 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1de3 s ALA 120 Cb 0.03 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 1de3 s ALA 120 CO 0.77 -0.00 -0.08 1.03 0.00 0.00 0.00 175.76 177.48 1de3 s ARG 121 N 0.30 0.73 0.15 0.00 0.52 0.16 -2.83 118.95 117.98 1de3 s ARG 121 Ca 0.38 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 55.02 1de3 s ARG 121 Cb -0.19 -0.70 -0.07 0.00 0.52 0.00 0.00 34.95 34.51 1de3 s ARG 121 CO 0.21 0.13 0.98 0.54 0.02 0.00 0.00 175.30 177.18 1de3 s VAL 122 N 0.00 4.30 0.09 3.52 0.11 0.20 -0.91 120.40 127.72 1de3 s VAL 122 Ca 0.00 2.01 0.10 0.00 -2.93 0.00 0.00 61.98 61.15 1de3 s VAL 122 Cb -0.05 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 1de3 s VAL 122 CO -0.00 0.35 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.25 1de3 s ILE 123 N -0.32 2.41 -0.29 7.04 -1.09 -0.23 -1.48 121.20 127.24 1de3 s ILE 123 Ca 0.46 -1.52 -0.26 0.00 -2.23 0.00 0.00 60.65 57.10 1de3 s ILE 123 Cb -0.25 -2.03 0.17 0.00 -1.58 0.00 0.00 42.46 38.77 1de3 s ILE 123 CO 0.31 0.21 1.29 -0.72 -1.23 0.00 0.00 174.94 174.80 1de3 s TYR 124 N -0.98 -0.20 0.00 3.97 1.13 -1.07 -1.48 117.35 118.72 1de3 s TYR 124 Ca 0.14 0.47 0.00 0.00 -1.41 0.00 0.00 57.07 56.27 1de3 s TYR 124 Cb -0.10 0.45 0.00 0.00 -1.10 0.00 0.00 41.96 41.20 1de3 s TYR 124 CO 0.05 -0.10 0.00 0.25 -2.51 0.00 0.00 175.55 173.24 1de3 n THR 125 N 1.66 0.00 -3.58 -3.49 -2.24 -1.25 -1.41 114.28 103.97 1de3 n THR 125 Ca -0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 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 -0.29 -0.52 -1.45 4.78 6.14 -1.23 -2.49 117.35 122.29 1de3 s TYR 126 Ca 0.00 1.04 0.23 0.00 0.64 0.00 0.00 57.07 58.98 1de3 s TYR 126 Cb 0.00 0.40 1.15 0.00 0.42 0.00 0.00 41.96 43.93 1de3 s TYR 126 CO 0.00 -0.39 1.74 -0.35 0.64 0.00 0.00 175.55 177.19 1de3 n PRO 127 N 1.36 0.34 -0.27 4.97 -0.04 -1.26 -4.44 135.00 135.65 1de3 n PRO 127 Ca -0.13 0.07 0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1de3 n PRO 127 Cb 0.57 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.76 -3.64 3.54 2.35 -2.00 -3.45 115.58 111.61 1de3 h ASN 128 Ca 0.00 0.24 -0.41 0.00 -0.55 0.00 0.00 56.30 55.58 1de3 h ASN 128 Cb 0.21 0.49 0.01 0.00 0.05 0.00 0.00 38.32 39.08 1de3 h ASN 128 CO 0.00 -0.26 -0.55 0.29 -1.65 0.00 0.00 177.43 175.25 1de3 n LYS 129 N -5.51 -2.94 -1.83 0.81 5.02 -1.04 -4.86 118.16 107.81 1de3 n LYS 129 Ca 0.11 0.95 -0.25 0.00 -2.02 0.00 0.00 58.31 57.09 1de3 n LYS 129 Cb 0.40 -5.69 -0.05 0.00 -0.02 0.00 0.00 35.03 29.67 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 3.24 -0.51 -0.18 1.01 -1.26 -4.64 120.40 114.98 1de3 s VAL 130 Ca 0.12 -0.12 -0.44 0.00 0.00 0.00 0.00 61.98 61.54 1de3 s VAL 130 Cb -0.05 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.58 1de3 s VAL 130 CO 0.15 -0.53 2.15 0.33 0.00 0.00 0.00 175.10 177.20 1de3 n PHE 131 N 15.59 1.14 -0.04 5.22 7.35 -1.26 -3.77 117.46 141.69 1de3 n PHE 131 Ca 0.39 0.76 -0.00 0.00 -0.76 0.00 0.00 57.45 57.83 1de3 n PHE 131 Cb 0.47 -2.29 -0.00 0.00 0.35 0.00 0.00 39.48 38.02 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 1.80 -0.70 2.84 0.00 0.00 -1.21 -4.89 105.19 103.03 1de3 n GLY 133 Ca -0.01 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.63 0.61 0.00 -0.61 1.09 -1.26 -1.07 121.20 116.34 1de3 s ILE 134 Ca 0.00 -0.05 0.03 0.00 -1.10 0.00 0.00 60.65 59.52 1de3 s ILE 134 Cb 0.00 -0.70 -0.03 0.00 -1.06 0.00 0.00 42.46 40.66 1de3 s ILE 134 CO 0.00 0.29 -0.06 0.27 -0.10 0.00 0.00 174.94 175.34 1de3 s ILE 135 N 1.68 3.73 0.09 2.92 -5.25 -0.08 -0.27 121.20 124.02 1de3 s ILE 135 Ca 0.02 -0.74 -0.01 0.00 -0.99 0.00 0.00 60.65 58.92 1de3 s ILE 135 Cb -0.13 -2.63 -0.04 0.00 2.95 0.00 0.00 42.46 42.62 1de3 s ILE 135 CO -0.05 0.40 0.02 0.00 -1.79 0.00 0.00 174.94 173.51 1de3 s ALA 136 N -1.01 0.61 -0.27 2.27 0.00 -1.12 0.36 121.76 122.60 1de3 s ALA 136 Ca 0.17 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.64 1de3 s ALA 136 Cb -0.11 0.53 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 1de3 s ALA 136 CO 0.08 -0.43 0.64 -1.01 0.00 0.00 0.00 175.76 175.04 1de3 s HIS 137 N -3.97 3.26 0.00 0.00 3.76 -1.21 0.15 115.29 117.28 1de3 s HIS 137 Ca 0.14 0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 55.78 1de3 s HIS 137 Cb 0.08 -2.91 -0.12 0.00 1.11 0.00 0.00 32.58 30.74 1de3 s HIS 137 CO -0.05 -0.38 2.64 0.25 -0.85 0.00 0.00 174.74 176.35 1de3 n THR 138 N 5.27 2.35 -2.65 1.30 -2.24 -1.26 -3.93 114.28 113.12 1de3 n THR 138 Ca -0.00 -0.92 -0.03 0.00 -2.27 0.00 0.00 64.05 60.82 1de3 n THR 138 Cb 0.49 -1.71 0.04 0.00 -2.10 0.00 0.00 70.33 67.05 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 1.99 0.01 0.00 -0.78 3.00 -1.24 -4.32 118.16 116.83 1de3 n LYS 139 Ca 0.19 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 57.98 1de3 n LYS 139 Cb 0.66 0.44 0.00 0.00 0.00 0.00 0.00 35.03 36.14 1de3 n LYS 139 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1de3 n GLU 140 N 2.46 0.00 -0.87 1.64 -0.58 0.13 -0.92 120.64 122.50 1de3 n GLU 140 Ca 0.10 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.82 1de3 n GLU 140 Cb 0.67 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.52 1de3 n GLU 140 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1de3 n ASN 141 N 3.08 -0.18 -4.12 1.62 2.85 -1.26 -4.64 115.26 112.61 1de3 n ASN 141 Ca 0.00 -1.70 -0.10 0.00 -0.11 0.00 0.00 54.58 52.67 1de3 n ASN 141 Cb 0.00 0.02 -0.09 0.00 1.24 0.00 0.00 39.78 40.95 1de3 n ASN 141 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1de3 s GLN 142 N 0.00 0.99 0.00 1.20 2.00 -0.10 -4.93 119.66 118.82 1de3 s GLN 142 Ca 0.06 -1.41 0.00 0.00 -2.00 0.00 0.00 55.36 52.01 1de3 s GLN 142 Cb 0.07 0.27 0.00 0.00 0.80 0.00 0.00 33.01 34.15 1de3 s GLN 142 CO -0.03 -0.30 0.00 0.41 -0.50 0.00 0.00 175.29 174.87 1de3 n GLY 143 N -0.13 -1.25 3.69 2.59 0.00 -1.26 -3.67 105.19 105.16 1de3 n GLY 143 Ca -0.05 -1.52 -0.66 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.69 0.01 -2.21 1.61 1.02 -1.26 -4.57 120.64 114.55 1de3 n GLU 144 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1de3 n GLU 144 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 1de3 n GLU 144 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1de3 s LEU 145 N 2.28 4.02 -0.21 -4.62 1.02 -1.26 -4.03 118.68 115.88 1de3 s LEU 145 Ca 1.02 2.36 0.02 0.00 0.02 0.00 0.00 54.13 57.54 1de3 s LEU 145 Cb -1.44 -4.22 0.04 0.00 0.02 0.00 0.00 46.19 40.58 1de3 s LEU 145 CO 0.76 -0.95 -0.16 -0.75 0.02 0.00 0.00 176.35 175.27 1de3 s LYS 146 N -2.67 2.62 -0.49 1.70 2.20 0.12 -4.88 119.74 118.34 1de3 s LYS 146 Ca 0.64 -0.98 -0.37 0.00 -0.36 0.00 0.00 55.97 54.89 1de3 s LYS 146 Cb -0.30 -2.63 -0.15 0.00 -1.51 0.00 0.00 37.83 33.23 1de3 s LYS 146 CO 0.36 -0.35 2.25 -0.11 -0.36 0.00 0.00 175.35 177.14 1de3 n LEU 147 N 4.57 1.43 -4.36 5.43 7.94 -1.26 -2.81 117.00 127.95 1de3 n LEU 147 Ca -0.18 0.42 -0.30 0.00 -1.11 0.00 0.00 56.01 54.84 1de3 n LEU 147 Cb 0.47 -1.11 0.22 0.00 0.53 0.00 0.00 43.42 43.53 1de3 n LEU 147 CO 0.24 -0.79 -0.02 0.00 -1.11 0.00 0.00 177.39 175.70 1de3 s SER 149 N -2.12 2.07 0.00 0.00 0.01 -0.93 -4.81 113.70 107.93 1de3 s SER 149 Ca 0.63 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1de3 s SER 149 Cb -0.19 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1de3 s SER 149 CO 0.66 -0.24 0.31 0.00 0.41 0.00 0.00 173.24 174.37