#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3di9 s GLU 2 N 0.00 4.72 0.76 1.64 2.12 -1.26 -5.04 118.70 121.64 3di9 s GLU 2 Ca 0.00 1.58 -0.11 0.00 0.36 0.00 0.00 54.97 56.81 3di9 s GLU 2 Cb 0.00 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 31.15 3di9 s GLU 2 CO 0.00 0.28 1.08 0.95 -0.54 0.00 0.00 175.26 177.03 3di9 s THR 3 N -0.62 3.44 0.19 -1.70 -4.23 -1.26 -4.84 115.64 106.62 3di9 s THR 3 Ca 0.45 0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 61.32 3di9 s THR 3 Cb -0.27 -3.03 0.12 0.00 1.34 0.00 0.00 72.50 70.66 3di9 s THR 3 CO 0.33 -0.61 1.85 0.00 -0.54 0.00 0.00 174.62 175.65 3di9 h ALA 4 N -1.06 0.82 -0.49 3.99 0.00 -1.96 -1.53 119.26 119.03 3di9 h ALA 4 Ca -0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3di9 h ALA 4 Cb 1.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3di9 h ALA 4 CO 0.53 0.18 0.29 0.00 0.00 0.00 0.00 179.25 180.25 3di9 h ALA 5 N 1.26 0.63 -0.18 0.00 0.00 -1.89 -1.46 119.26 117.62 3di9 h ALA 5 Ca 0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 3di9 h ALA 5 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3di9 h ALA 5 CO -0.08 0.13 -0.37 0.00 0.00 0.00 0.00 179.25 178.93 3di9 h ALA 6 N 1.13 1.03 -0.48 0.00 0.00 -1.85 -1.98 119.26 117.10 3di9 h ALA 6 Ca 0.18 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3di9 h ALA 6 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3di9 h ALA 6 CO -0.03 0.60 -0.18 -0.22 0.00 0.00 0.00 179.25 179.42 3di9 h LYS 7 N 0.33 0.97 -0.63 0.00 3.64 -1.05 -0.99 116.57 118.85 3di9 h LYS 7 Ca 0.04 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.99 3di9 h LYS 7 Cb 0.81 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 3di9 h LYS 7 CO 0.06 1.07 0.32 0.35 -2.27 0.00 0.00 179.45 178.98 3di9 h PHE 8 N 0.82 0.90 -0.07 1.91 3.04 -1.11 -0.71 116.94 121.73 3di9 h PHE 8 Ca 0.11 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.03 3di9 h PHE 8 Cb 0.75 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.98 3di9 h PHE 8 CO 0.05 0.67 0.04 0.93 -2.02 0.00 0.00 178.31 177.99 3di9 h GLU 9 N 0.87 0.09 -0.54 1.11 5.08 -1.11 -0.92 114.58 119.15 3di9 h GLU 9 Ca 0.22 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3di9 h GLU 9 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3di9 h GLU 9 CO -0.03 0.06 0.20 -0.09 -1.00 0.00 0.00 179.01 178.15 3di9 h ARG 10 N 0.09 0.81 -0.02 2.33 2.43 -0.98 -1.04 114.38 118.00 3di9 h ARG 10 Ca 0.03 -0.15 -0.19 0.00 -0.81 0.00 0.00 59.98 58.85 3di9 h ARG 10 Cb -0.01 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3di9 h ARG 10 CO -0.01 0.72 -0.82 1.96 -1.51 0.00 0.00 179.97 180.32 3di9 h GLN 11 N 0.73 0.26 0.00 0.20 4.20 -1.08 -3.41 115.11 116.01 3di9 h GLN 11 Ca 0.18 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3di9 h GLN 11 Cb 0.22 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3di9 h GLN 11 CO -0.01 0.94 0.00 0.72 -0.67 0.00 0.00 178.83 179.81 3di9 n HIS 12 N -3.73 0.00 -3.80 2.96 8.25 -0.36 -4.67 115.22 113.87 3di9 n HIS 12 Ca -0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.07 3di9 n HIS 12 Cb 0.76 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.79 3di9 n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3di9 s MET 13 N -0.72 4.01 -0.43 -0.41 -1.94 -0.40 -0.74 119.30 118.68 3di9 s MET 13 Ca 0.00 -0.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.80 3di9 s MET 13 Cb 0.00 -3.34 0.17 0.00 2.01 0.00 0.00 34.83 33.67 3di9 s MET 13 CO 0.00 0.39 0.42 0.34 -0.01 0.00 0.00 175.02 176.16 3di9 s ASP 14 N 0.09 0.85 0.00 3.03 2.15 -0.78 -4.87 116.67 117.14 3di9 s ASP 14 Ca 0.09 -2.56 0.24 0.00 0.43 0.00 0.00 52.55 50.75 3di9 s ASP 14 Cb -0.11 0.19 1.11 0.00 -0.30 0.00 0.00 42.92 43.80 3di9 s ASP 14 CO -0.01 -0.16 1.75 -1.20 -0.17 0.00 0.00 175.17 175.38 3di9 n SER 15 N 3.10 0.96 -0.06 -0.34 7.64 -1.26 -3.96 113.62 119.70 3di9 n SER 15 Ca 0.24 -1.47 0.13 0.00 1.01 0.00 0.00 58.87 58.78 3di9 n SER 15 Cb 0.49 -0.04 0.42 0.00 -1.01 0.00 0.00 64.21 64.07 3di9 n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3di9 n SER 16 N -0.20 0.45 -4.12 6.43 3.41 -1.26 -4.86 113.62 113.47 3di9 n SER 16 Ca 0.18 -0.23 -0.10 0.00 -0.26 0.00 0.00 58.87 58.45 3di9 n SER 16 Cb 0.24 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 3di9 n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3di9 s THR 17 N -2.83 0.54 -0.55 6.66 -4.23 -1.25 -5.04 115.64 108.94 3di9 s THR 17 Ca 0.17 -1.70 0.24 0.00 -1.18 0.00 0.00 61.69 59.22 3di9 s THR 17 Cb 0.19 -1.37 0.13 0.00 1.34 0.00 0.00 72.50 72.78 3di9 s THR 17 CO 0.59 -0.79 1.40 0.77 -0.54 0.00 0.00 174.62 176.06 3di9 h SER 18 N 3.38 0.00 -5.18 3.99 4.64 -1.90 -3.44 113.55 115.04 3di9 h SER 18 Ca -0.35 -0.10 0.37 0.00 -0.47 0.00 0.00 61.79 61.25 3di9 h SER 18 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 3di9 h SER 18 CO 0.59 0.05 0.99 0.00 -0.87 0.00 0.00 176.83 177.59 3di9 s ALA 19 N -3.20 -2.40 -0.15 5.18 0.00 -1.26 -4.84 121.76 115.10 3di9 s ALA 19 Ca 0.06 1.36 -0.32 0.00 0.00 0.00 0.00 51.96 53.07 3di9 s ALA 19 Cb 0.11 -0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.10 3di9 s ALA 19 CO 0.70 -0.85 2.06 0.00 0.00 0.00 0.00 175.76 177.68 3di9 n ALA 20 N -0.30 1.35 0.19 0.00 0.00 -1.26 -4.87 120.51 115.62 3di9 n ALA 20 Ca -0.04 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3di9 n ALA 20 Cb 0.61 -2.68 0.37 0.00 0.00 0.00 0.00 19.45 17.75 3di9 n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3di9 h SER 21 N 11.93 0.00 -5.07 0.00 0.87 -1.99 -3.47 113.55 115.81 3di9 h SER 21 Ca -0.43 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.10 3di9 h SER 21 Cb 1.26 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.20 3di9 h SER 21 CO 0.96 0.37 0.19 -0.94 -0.53 0.00 0.00 176.83 176.88 3di9 s SER 22 N -6.57 0.04 0.54 6.23 1.04 -1.26 -5.02 113.70 108.69 3di9 s SER 22 Ca -0.01 -1.05 0.35 0.00 0.48 0.00 0.00 55.95 55.72 3di9 s SER 22 Cb 0.12 0.79 1.64 0.00 0.10 0.00 0.00 66.02 68.67 3di9 s SER 22 CO 0.69 -1.53 2.05 0.77 0.98 0.00 0.00 173.24 176.20 3di9 h SER 23 N 2.03 0.00 -0.11 7.02 4.64 -1.92 -1.90 113.55 123.31 3di9 h SER 23 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3di9 h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3di9 h SER 23 CO 0.36 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.91 3di9 n ASN 24 N -2.92 1.94 -0.03 4.97 5.03 -1.26 -4.35 115.26 118.63 3di9 n ASN 24 Ca -0.00 -1.69 -0.10 0.00 0.87 0.00 0.00 54.58 53.66 3di9 n ASN 24 Cb 0.20 -0.06 -0.03 0.00 -1.02 0.00 0.00 39.78 38.87 3di9 n ASN 24 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 3di9 h TYR 25 N 2.80 -0.85 -0.82 3.10 5.03 -1.73 -2.04 116.97 122.47 3di9 h TYR 25 Ca 0.00 0.04 -0.04 0.00 2.58 0.00 0.00 58.73 61.31 3di9 h TYR 25 Cb 0.60 0.40 -0.04 0.00 1.55 0.00 0.00 36.73 39.25 3di9 h TYR 25 CO 0.06 -0.38 0.36 0.00 -1.32 0.00 0.00 178.16 176.89 3di9 h ASN 27 N 1.17 0.64 -0.19 0.00 2.35 -1.71 0.47 115.58 118.32 3di9 h ASN 27 Ca 0.28 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.98 3di9 h ASN 27 Cb 0.16 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 3di9 h ASN 27 CO -0.03 0.46 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.58 3di9 h GLN 28 N 0.77 0.35 -0.37 0.81 -0.00 -1.04 -2.90 115.11 112.72 3di9 h GLN 28 Ca 0.23 -0.12 -0.16 0.00 -0.00 0.00 0.00 58.65 58.61 3di9 h GLN 28 Cb -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.41 3di9 h GLN 28 CO -0.07 0.57 -0.38 0.52 0.00 0.00 0.00 178.83 179.47 3di9 h MET 29 N 0.09 0.90 -0.14 1.69 2.86 -0.74 -0.79 114.93 118.80 3di9 h MET 29 Ca 0.05 -0.47 -0.04 0.00 -2.06 0.00 0.00 59.70 57.19 3di9 h MET 29 Cb 0.43 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 3di9 h MET 29 CO 0.01 1.11 -0.09 0.52 1.06 0.00 0.00 176.91 179.53 3di9 h MET 30 N 0.74 0.21 0.02 1.72 2.86 -0.95 -0.62 114.93 118.90 3di9 h MET 30 Ca 0.06 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3di9 h MET 30 Cb 0.96 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.59 3di9 h MET 30 CO 0.09 0.31 -0.20 -0.22 1.06 0.00 0.00 176.91 177.95 3di9 h LYS 31 N 0.20 0.10 -0.28 1.72 3.64 -1.33 0.06 116.57 120.68 3di9 h LYS 31 Ca 0.04 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3di9 h LYS 31 Cb 0.29 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3di9 h LYS 31 CO 0.01 0.99 -0.04 0.66 -2.27 0.00 0.00 179.45 178.80 3di9 h SER 32 N -0.72 0.40 -0.22 4.20 4.64 -1.00 -1.42 113.55 119.42 3di9 h SER 32 Ca -0.03 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3di9 h SER 32 Cb 1.07 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 3di9 h SER 32 CO 0.04 0.50 0.00 0.54 -0.87 0.00 0.00 176.83 177.04 3di9 n ARG 33 N -4.28 1.62 -3.47 4.77 5.12 -0.25 -4.91 116.66 115.25 3di9 n ARG 33 Ca 0.01 -0.84 -0.24 0.00 -1.93 0.00 0.00 57.85 54.85 3di9 n ARG 33 Cb 0.25 -1.25 0.06 0.00 -1.16 0.00 0.00 32.46 30.36 3di9 n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3di9 n ASN 34 N 0.17 -6.23 -1.52 0.55 3.02 -0.54 -4.85 115.26 105.87 3di9 n ASN 34 Ca 0.08 -0.49 0.10 0.00 -0.03 0.00 0.00 54.58 54.25 3di9 n ASN 34 Cb 0.24 -4.93 0.35 0.00 -0.61 0.00 0.00 39.78 34.82 3di9 n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3di9 n LEU 35 N -4.73 4.48 -1.14 3.41 4.77 0.00 -4.15 117.00 119.64 3di9 n LEU 35 Ca -0.02 -2.25 0.04 0.00 -0.03 0.00 0.00 56.01 53.75 3di9 n LEU 35 Cb 0.57 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3di9 n LEU 35 CO 0.61 0.89 0.17 0.35 -1.33 0.00 0.00 177.39 178.07 3di9 n THR 36 N 1.37 0.55 0.12 -5.08 -2.24 -1.22 -2.11 114.28 105.68 3di9 n THR 36 Ca 0.26 -1.43 -0.05 0.00 -2.27 0.00 0.00 64.05 60.56 3di9 n THR 36 Cb 0.79 0.63 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 3di9 n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3di9 h LYS 37 N 0.85 -0.30 -0.01 -0.78 1.79 -1.91 -3.38 116.57 112.84 3di9 h LYS 37 Ca -0.15 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3di9 h LYS 37 Cb 1.61 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.33 3di9 h LYS 37 CO 0.06 -0.20 -0.37 -0.25 -1.08 0.00 0.00 179.45 177.61 3di9 n ASP 38 N -2.93 1.09 -3.49 0.86 8.00 -1.26 -5.01 116.55 113.81 3di9 n ASP 38 Ca -0.04 -1.05 -0.10 0.00 0.71 0.00 0.00 54.79 54.32 3di9 n ASP 38 Cb 0.12 0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 41.86 3di9 n ASP 38 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3di9 s ARG 39 N -1.79 1.16 -0.34 -1.24 3.52 -1.26 -5.09 118.95 113.91 3di9 s ARG 39 Ca 0.08 -0.46 -0.20 0.00 -0.13 0.00 0.00 55.73 55.03 3di9 s ARG 39 Cb 0.10 0.51 -0.00 0.00 -1.56 0.00 0.00 34.95 34.00 3di9 s ARG 39 CO 0.38 -0.51 0.61 0.00 -0.81 0.00 0.00 175.30 174.98 3di9 s LYS 41 N 2.63 4.18 0.22 0.00 2.20 -0.90 -4.89 119.74 123.17 3di9 s LYS 41 Ca 0.24 2.44 -0.03 0.00 -0.36 0.00 0.00 55.97 58.26 3di9 s LYS 41 Cb -0.15 -3.42 0.20 0.00 -1.51 0.00 0.00 37.83 32.95 3di9 s LYS 41 CO 0.14 -0.73 1.60 -1.00 -0.36 0.00 0.00 175.35 174.99 3di9 h PRO 42 N 7.82 0.63 -3.66 4.03 0.13 -1.94 -3.44 132.00 135.57 3di9 h PRO 42 Ca -0.43 -0.30 -0.27 0.00 -0.87 0.00 0.00 66.00 64.12 3di9 h PRO 42 Cb 1.21 -0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 3di9 h PRO 42 CO 0.93 0.90 -0.73 0.08 -0.23 0.00 0.00 178.00 178.95 3di9 s VAL 43 N -4.34 -0.00 -0.28 1.56 1.01 -1.26 -0.91 120.40 116.19 3di9 s VAL 43 Ca -0.08 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 3di9 s VAL 43 Cb 0.12 -0.06 0.08 0.00 0.00 0.00 0.00 36.38 36.53 3di9 s VAL 43 CO 0.83 0.05 0.74 0.21 0.00 0.00 0.00 175.10 176.93 3di9 s ASN 44 N 0.48 -0.81 -0.11 3.32 2.47 0.08 -4.99 114.94 115.37 3di9 s ASN 44 Ca -0.04 1.40 -0.03 0.00 0.42 0.00 0.00 52.86 54.61 3di9 s ASN 44 Cb -0.06 1.37 -0.03 0.00 -1.45 0.00 0.00 41.25 41.08 3di9 s ASN 44 CO -0.01 -0.23 -0.01 -0.89 -3.72 0.00 0.00 177.10 172.24 3di9 s THR 45 N 1.04 4.22 -0.14 -5.21 2.01 -1.26 0.13 115.64 116.42 3di9 s THR 45 Ca -0.05 -0.27 -0.02 0.00 0.31 0.00 0.00 61.69 61.67 3di9 s THR 45 Cb -0.05 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 3di9 s THR 45 CO -0.11 0.56 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.93 3di9 s PHE 46 N -0.44 2.90 -0.19 4.92 0.08 -0.19 -4.29 117.98 120.76 3di9 s PHE 46 Ca 0.08 -0.54 -0.11 0.00 0.12 0.00 0.00 56.93 56.48 3di9 s PHE 46 Cb -0.12 -1.90 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3di9 s PHE 46 CO 0.02 -0.17 0.18 0.08 -0.10 0.00 0.00 175.22 175.23 3di9 s VAL 47 N 0.41 5.38 -0.98 -0.44 1.01 0.08 0.20 120.40 126.05 3di9 s VAL 47 Ca -0.08 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 3di9 s VAL 47 Cb -0.15 -3.52 0.29 0.00 0.00 0.00 0.00 36.38 32.99 3di9 s VAL 47 CO 0.04 0.42 1.23 1.41 0.00 0.00 0.00 175.10 178.20 3di9 n HIS 48 N 3.59 3.09 -4.03 5.22 -0.00 0.10 -1.87 115.22 121.32 3di9 n HIS 48 Ca -0.15 -3.20 -0.10 0.00 -0.00 0.00 0.00 57.72 54.27 3di9 n HIS 48 Cb 0.52 -1.16 -0.07 0.00 -0.00 0.00 0.00 29.99 29.27 3di9 n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3di9 s GLU 49 N -2.42 1.26 0.67 -0.41 0.41 -1.26 -4.36 118.70 112.59 3di9 s GLU 49 Ca 0.32 -1.30 -0.16 0.00 -0.41 0.00 0.00 54.97 53.43 3di9 s GLU 49 Cb 0.04 0.37 0.00 0.00 -1.78 0.00 0.00 34.13 32.77 3di9 s GLU 49 CO 0.04 -0.47 1.15 -1.54 -0.49 0.00 0.00 175.26 173.95 3di9 s SER 50 N -3.02 4.86 0.22 -0.19 1.04 -1.26 -4.20 113.70 111.14 3di9 s SER 50 Ca 0.23 2.17 -0.08 0.00 0.48 0.00 0.00 55.95 58.75 3di9 s SER 50 Cb 0.03 -2.57 0.25 0.00 0.10 0.00 0.00 66.02 63.83 3di9 s SER 50 CO 0.05 -1.81 1.84 0.25 0.98 0.00 0.00 173.24 174.55 3di9 h LEU 51 N 0.10 0.71 -0.61 2.42 5.85 -1.97 -1.81 115.31 119.99 3di9 h LEU 51 Ca -0.48 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.32 3di9 h LEU 51 Cb 1.27 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.11 3di9 h LEU 51 CO 0.53 0.47 0.31 0.00 -0.34 0.00 0.00 178.44 179.41 3di9 h ALA 52 N 1.35 0.80 -0.81 1.25 0.00 -1.99 -0.45 119.26 119.41 3di9 h ALA 52 Ca 0.32 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3di9 h ALA 52 Cb 0.12 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3di9 h ALA 52 CO -0.15 -0.04 0.35 -0.44 0.00 0.00 0.00 179.25 178.96 3di9 h ASP 53 N 0.57 1.09 -0.30 0.00 3.32 -1.71 -0.77 116.42 118.63 3di9 h ASP 53 Ca 0.28 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3di9 h ASP 53 Cb 0.21 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 3di9 h ASP 53 CO -0.20 0.95 -0.32 0.58 -1.72 0.00 0.00 179.24 178.53 3di9 h VAL 54 N 1.17 1.30 -0.20 -1.35 2.07 -1.03 -3.01 116.25 115.20 3di9 h VAL 54 Ca 0.27 -1.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 3di9 h VAL 54 Cb 0.18 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 3di9 h VAL 54 CO -0.03 0.48 -0.19 1.56 0.02 0.00 0.00 177.57 179.42 3di9 h GLN 55 N 0.50 0.35 0.00 1.57 4.20 -0.85 -2.31 115.11 118.57 3di9 h GLN 55 Ca 0.04 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3di9 h GLN 55 Cb 0.90 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.65 3di9 h GLN 55 CO 0.08 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.78 3di9 h ALA 56 N 1.48 1.00 0.00 3.87 0.00 -1.00 -2.32 119.26 122.29 3di9 h ALA 56 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3di9 h ALA 56 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3di9 h ALA 56 CO 0.03 0.00 -0.15 0.28 0.00 0.00 0.00 179.25 179.42 3di9 h VAL 57 N 0.00 0.93 0.00 0.00 2.07 -1.41 -2.24 116.25 115.59 3di9 h VAL 57 Ca 0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3di9 h VAL 57 Cb 0.08 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3di9 h VAL 57 CO 0.00 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.74 3di9 n SER 59 N -1.47 2.53 0.00 0.00 7.64 -0.84 -5.01 113.62 116.47 3di9 n SER 59 Ca 0.01 -2.31 0.00 0.00 1.01 0.00 0.00 58.87 57.57 3di9 n SER 59 Cb 0.03 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 3di9 n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3di9 n GLN 60 N -0.40 1.21 -2.52 1.43 6.02 -0.10 -5.01 117.38 118.01 3di9 n GLN 60 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 3di9 n GLN 60 Cb 0.44 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.68 3di9 n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3di9 s LYS 61 N 4.33 3.92 -0.29 -1.09 2.47 -1.11 -4.88 119.74 123.08 3di9 s LYS 61 Ca 0.00 1.05 -0.29 0.00 -1.56 0.00 0.00 55.97 55.17 3di9 s LYS 61 Cb 0.00 -3.84 -0.00 0.00 -1.46 0.00 0.00 37.83 32.53 3di9 s LYS 61 CO 0.00 -1.11 1.31 1.21 0.16 0.00 0.00 175.35 176.91 3di9 s ASN 62 N 2.41 6.68 0.21 1.43 2.47 -1.26 -0.28 114.94 126.60 3di9 s ASN 62 Ca 0.51 1.24 0.07 0.00 0.42 0.00 0.00 52.86 55.10 3di9 s ASN 62 Cb -0.13 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.08 3di9 s ASN 62 CO 0.22 -1.07 -0.11 0.68 -3.72 0.00 0.00 177.10 173.11 3di9 s VAL 63 N 4.35 1.58 0.43 -5.21 -7.23 -0.75 -4.96 120.40 108.61 3di9 s VAL 63 Ca 0.56 -2.16 -0.23 0.00 -1.81 0.00 0.00 61.98 58.35 3di9 s VAL 63 Cb -0.17 -2.11 -0.09 0.00 0.56 0.00 0.00 36.38 34.58 3di9 s VAL 63 CO 0.23 -0.55 1.06 0.00 -0.31 0.00 0.00 175.10 175.53 3di9 s ALA 64 N -3.07 3.00 0.37 1.32 0.00 -1.26 -3.67 121.76 118.45 3di9 s ALA 64 Ca 0.23 0.69 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 3di9 s ALA 64 Cb 0.01 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 3di9 s ALA 64 CO 0.07 -0.28 0.80 0.00 0.00 0.00 0.00 175.76 176.34 3di9 h LYS 66 N 1.87 0.00 -0.09 0.00 1.57 -1.95 0.59 116.57 118.57 3di9 h LYS 66 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3di9 h LYS 66 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3di9 h LYS 66 CO 0.64 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.79 3di9 n ASN 67 N -3.02 1.82 0.00 0.86 0.23 -1.26 -4.94 115.26 108.95 3di9 n ASN 67 Ca -0.01 -1.65 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 3di9 n ASN 67 Cb 0.35 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 3di9 n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3di9 n GLY 68 N 1.20 2.23 3.70 4.83 0.00 0.21 -5.05 105.19 112.31 3di9 n GLY 68 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3di9 n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3di9 s GLN 69 N -0.50 1.46 -0.15 1.61 2.00 -1.26 -4.69 119.66 118.13 3di9 s GLN 69 Ca 0.00 1.46 0.16 0.00 -2.00 0.00 0.00 55.36 54.97 3di9 s GLN 69 Cb 0.00 -1.78 0.54 0.00 0.80 0.00 0.00 33.01 32.56 3di9 s GLN 69 CO 0.00 -2.29 1.44 0.25 -0.50 0.00 0.00 175.29 174.19 3di9 n THR 70 N -3.92 2.10 -1.31 -0.34 -2.24 -1.26 -2.00 114.28 105.31 3di9 n THR 70 Ca 0.11 -1.64 -0.18 0.00 -2.27 0.00 0.00 64.05 60.07 3di9 n THR 70 Cb 0.52 -0.11 0.18 0.00 -2.10 0.00 0.00 70.33 68.83 3di9 n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3di9 n ASN 71 N -0.12 3.45 -4.86 3.42 6.94 -1.26 -4.86 115.26 117.97 3di9 n ASN 71 Ca 0.21 -3.68 -0.31 0.00 -0.02 0.00 0.00 54.58 50.78 3di9 n ASN 71 Cb 0.85 -0.78 -0.05 0.00 -2.36 0.00 0.00 39.78 37.44 3di9 n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3di9 s TYR 73 N -1.43 0.02 -0.13 0.00 1.51 0.93 -1.81 117.35 116.44 3di9 s TYR 73 Ca 0.32 -0.00 -0.02 0.00 -1.01 0.00 0.00 57.07 56.35 3di9 s TYR 73 Cb -0.13 -0.02 -0.03 0.00 -0.11 0.00 0.00 41.96 41.68 3di9 s TYR 73 CO 0.24 -0.00 -0.05 -1.14 -1.11 0.00 0.00 175.55 173.49 3di9 s GLN 74 N 0.02 3.39 0.35 -0.62 0.74 0.62 -0.90 119.66 123.26 3di9 s GLN 74 Ca -0.00 -0.52 -0.28 0.00 0.05 0.00 0.00 55.36 54.60 3di9 s GLN 74 Cb -0.00 -2.82 -0.11 0.00 1.10 0.00 0.00 33.01 31.18 3di9 s GLN 74 CO -0.00 0.38 1.38 -1.54 -0.55 0.00 0.00 175.29 174.96 3di9 s SER 75 N -0.02 6.60 0.32 6.67 1.04 0.53 -2.73 113.70 126.11 3di9 s SER 75 Ca 0.01 2.83 0.08 0.00 0.48 0.00 0.00 55.95 59.35 3di9 s SER 75 Cb -0.13 -2.66 0.54 0.00 0.10 0.00 0.00 66.02 63.87 3di9 s SER 75 CO 0.03 -0.67 1.75 1.88 0.98 0.00 0.00 173.24 177.20 3di9 h TYR 76 N 3.28 0.23 -1.76 5.02 0.05 -1.95 -3.43 116.97 118.42 3di9 h TYR 76 Ca -0.50 -0.06 -0.52 0.00 0.05 0.00 0.00 58.73 57.71 3di9 h TYR 76 Cb 1.23 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.86 3di9 h TYR 76 CO 0.55 0.55 -0.47 -1.54 -1.05 0.00 0.00 178.16 176.20 3di9 s SER 77 N -6.88 4.95 0.43 3.88 1.04 -1.26 -5.07 113.70 110.78 3di9 s SER 77 Ca -0.04 -0.70 -0.19 0.00 0.48 0.00 0.00 55.95 55.49 3di9 s SER 77 Cb 0.14 -0.75 -0.10 0.00 0.10 0.00 0.00 66.02 65.40 3di9 s SER 77 CO 0.76 -0.42 0.93 0.42 0.98 0.00 0.00 173.24 175.90 3di9 s THR 78 N -2.41 4.45 0.06 2.02 -4.23 -1.26 -4.43 115.64 109.84 3di9 s THR 78 Ca 0.41 1.37 0.06 0.00 -1.18 0.00 0.00 61.69 62.35 3di9 s THR 78 Cb -0.03 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 3di9 s THR 78 CO 0.25 -0.36 -0.16 -0.04 -0.54 0.00 0.00 174.62 173.77 3di9 s MET 79 N -3.30 0.97 0.10 3.99 -1.94 0.21 -4.85 119.30 114.49 3di9 s MET 79 Ca 0.60 -0.89 -0.31 0.00 -1.71 0.00 0.00 55.69 53.38 3di9 s MET 79 Cb -0.09 -1.02 -0.08 0.00 2.01 0.00 0.00 34.83 35.65 3di9 s MET 79 CO 0.16 0.24 1.39 0.45 -0.01 0.00 0.00 175.02 177.26 3di9 s SER 80 N -1.43 6.83 0.06 3.03 0.15 -1.26 -1.54 113.70 119.53 3di9 s SER 80 Ca 0.02 2.30 -0.07 0.00 0.70 0.00 0.00 55.95 58.90 3di9 s SER 80 Cb -0.09 -2.58 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 3di9 s SER 80 CO 0.02 -0.66 0.14 0.00 1.20 0.00 0.00 173.24 173.94 3di9 s ALA 81 N 1.27 -0.15 -0.09 5.45 0.00 -0.09 0.00 121.76 128.14 3di9 s ALA 81 Ca 0.65 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3di9 s ALA 81 Cb -0.36 0.34 0.01 0.00 0.00 0.00 0.00 23.12 23.11 3di9 s ALA 81 CO 0.30 -0.40 -0.15 0.99 0.00 0.00 0.00 175.76 176.50 3di9 s THR 82 N -3.14 1.40 -0.15 0.00 2.01 0.13 -1.52 115.64 114.38 3di9 s THR 82 Ca -0.01 -0.60 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 3di9 s THR 82 Cb 0.02 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 3di9 s THR 82 CO -0.07 0.42 0.23 -1.81 -0.69 0.00 0.00 174.62 172.69 3di9 s ASP 83 N 0.84 6.39 -0.13 3.53 1.01 0.86 -1.02 116.67 128.15 3di9 s ASP 83 Ca -0.10 0.45 -0.01 0.00 0.71 0.00 0.00 52.55 53.60 3di9 s ASP 83 Cb -0.15 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.62 3di9 s ASP 83 CO 0.01 0.20 -0.10 0.00 0.21 0.00 0.00 175.17 175.48 3di9 s ARG 85 N 0.23 0.02 0.53 0.00 0.52 -1.05 -0.74 118.95 118.45 3di9 s ARG 85 Ca -0.07 0.07 -0.22 0.00 -0.52 0.00 0.00 55.73 55.00 3di9 s ARG 85 Cb -0.15 -0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.22 3di9 s ARG 85 CO 0.04 -0.04 1.22 0.39 0.02 0.00 0.00 175.30 176.93 3di9 n GLU 86 N 3.32 1.50 -2.79 3.54 1.02 -0.08 -0.97 120.64 126.18 3di9 n GLU 86 Ca -0.16 0.55 -0.20 0.00 -0.02 0.00 0.00 57.16 57.34 3di9 n GLU 86 Cb 0.58 -2.40 0.03 0.00 -0.02 0.00 0.00 31.44 29.63 3di9 n GLU 86 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3di9 s THR 87 N -1.33 2.75 0.33 2.62 -4.23 -0.79 -4.74 115.64 110.25 3di9 s THR 87 Ca 0.70 -0.80 0.35 0.00 -1.18 0.00 0.00 61.69 60.76 3di9 s THR 87 Cb -0.44 -2.95 0.38 0.00 1.34 0.00 0.00 72.50 70.82 3di9 s THR 87 CO 0.51 0.00 2.10 1.23 -0.54 0.00 0.00 174.62 177.92 3di9 h GLY 88 N 0.26 0.00 2.00 3.99 0.00 -1.95 -2.33 103.07 105.04 3di9 h GLY 88 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3di9 h GLY 88 CO 0.49 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.89 3di9 n SER 89 N -3.23 0.56 -4.77 0.19 3.41 -1.26 -4.85 113.62 103.66 3di9 n SER 89 Ca -0.01 0.58 -0.37 0.00 -0.26 0.00 0.00 58.87 58.81 3di9 n SER 89 Cb 0.24 -0.72 -0.01 0.00 -0.26 0.00 0.00 64.21 63.45 3di9 n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3di9 s SER 90 N -4.04 6.23 0.00 4.04 0.15 -0.88 -4.85 113.70 114.35 3di9 s SER 90 Ca 0.09 2.27 0.00 0.00 0.70 0.00 0.00 55.95 59.01 3di9 s SER 90 Cb 0.13 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 3di9 s SER 90 CO 0.50 -0.87 0.00 1.17 1.20 0.00 0.00 173.24 175.24 3di9 n LYS 91 N -0.46 0.00 0.00 5.44 4.81 -1.23 -4.93 118.16 121.79 3di9 n LYS 91 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3di9 n LYS 91 Cb 0.48 -0.16 0.00 0.00 0.02 0.00 0.00 35.03 35.38 3di9 n LYS 91 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 3di9 n TYR 92 N -0.61 0.00 1.10 5.64 9.36 -1.26 -4.81 117.16 126.59 3di9 n TYR 92 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3di9 n TYR 92 Cb 0.00 -0.76 0.00 0.00 -0.63 0.00 0.00 39.34 37.95 3di9 n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3di9 n PRO 93 N 0.15 0.58 -3.30 2.98 -0.04 -1.26 -4.94 135.00 129.17 3di9 n PRO 93 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 3di9 n PRO 93 Cb 0.00 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 3di9 n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3di9 n ASN 94 N -0.42 5.10 -4.77 3.54 4.13 -1.26 -5.05 115.26 116.53 3di9 n ASN 94 Ca 0.00 -3.32 -0.39 0.00 1.68 0.00 0.00 54.58 52.54 3di9 n ASN 94 Cb 0.02 -1.06 -0.00 0.00 -1.54 0.00 0.00 39.78 37.19 3di9 n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3di9 s ALA 96 N -1.29 0.36 0.03 0.00 0.00 -1.26 -4.95 121.76 114.65 3di9 s ALA 96 Ca 0.58 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.46 3di9 s ALA 96 Cb -0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3di9 s ALA 96 CO 0.47 0.05 -0.08 0.71 0.00 0.00 0.00 175.76 176.92 3di9 s TYR 97 N 0.19 0.65 0.03 0.00 2.02 -1.26 -1.89 117.35 117.10 3di9 s TYR 97 Ca -0.02 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.15 3di9 s TYR 97 Cb -0.05 -0.40 -0.06 0.00 -0.40 0.00 0.00 41.96 41.05 3di9 s TYR 97 CO -0.00 -0.05 0.52 0.21 -1.57 0.00 0.00 175.55 174.66 3di9 s LYS 98 N -1.06 4.15 -0.27 -0.62 2.20 -0.14 -4.59 119.74 119.40 3di9 s LYS 98 Ca -0.05 0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 56.14 3di9 s LYS 98 Cb -0.07 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 3di9 s LYS 98 CO 0.00 0.59 0.04 0.99 -0.36 0.00 0.00 175.35 176.61 3di9 s THR 99 N -0.88 3.71 -0.23 3.43 2.01 -1.26 -2.54 115.64 119.89 3di9 s THR 99 Ca 0.28 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.60 3di9 s THR 99 Cb -0.18 -2.87 0.05 0.00 0.01 0.00 0.00 72.50 69.50 3di9 s THR 99 CO 0.17 0.16 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.23 3di9 s THR 100 N 1.47 2.07 0.01 -0.82 2.01 -0.58 -4.95 115.64 114.86 3di9 s THR 100 Ca 0.03 -1.35 -0.06 0.00 0.31 0.00 0.00 61.69 60.62 3di9 s THR 100 Cb -0.17 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 3di9 s THR 100 CO 0.01 0.17 0.27 -1.58 -0.69 0.00 0.00 174.62 172.80 3di9 s GLN 101 N 1.19 3.58 0.06 4.92 2.00 -1.26 -0.10 119.66 130.06 3di9 s GLN 101 Ca -0.04 -0.07 -0.05 0.00 -2.00 0.00 0.00 55.36 53.19 3di9 s GLN 101 Cb -0.17 -3.07 0.02 0.00 0.80 0.00 0.00 33.01 30.58 3di9 s GLN 101 CO -0.08 0.64 0.27 0.00 -0.50 0.00 0.00 175.29 175.62 3di9 n ALA 102 N 1.08 -0.68 -3.79 1.58 0.00 -0.57 -4.99 120.51 113.14 3di9 n ALA 102 Ca -0.11 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.77 3di9 n ALA 102 Cb 0.53 0.18 -0.17 0.00 0.00 0.00 0.00 19.45 19.99 3di9 n ALA 102 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3di9 s ASN 103 N -1.64 2.72 0.15 0.00 -0.87 -1.26 -0.92 114.94 113.13 3di9 s ASN 103 Ca 0.06 -0.68 -0.03 0.00 -1.57 0.00 0.00 52.86 50.64 3di9 s ASN 103 Cb -0.01 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.25 40.51 3di9 s ASN 103 CO 0.02 -0.25 0.12 -1.59 -2.57 0.00 0.00 177.10 172.82 3di9 s LYS 104 N 1.80 1.04 0.23 -0.60 -2.85 -0.59 -4.76 119.74 114.01 3di9 s LYS 104 Ca 0.00 -1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 53.24 3di9 s LYS 104 Cb -0.16 0.28 -0.09 0.00 -2.06 0.00 0.00 37.83 35.80 3di9 s LYS 104 CO -0.07 -0.32 1.09 -1.01 0.10 0.00 0.00 175.35 175.13 3di9 s HIS 105 N -4.06 3.62 0.05 1.78 3.76 0.69 -0.62 115.29 120.51 3di9 s HIS 105 Ca 0.26 1.67 0.02 0.00 -0.15 0.00 0.00 55.06 56.86 3di9 s HIS 105 Cb 0.06 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.46 3di9 s HIS 105 CO 0.04 -0.50 0.08 0.96 -0.85 0.00 0.00 174.74 174.47 3di9 s ILE 106 N -0.75 4.61 -0.15 0.60 -4.36 -1.26 -2.26 121.20 117.63 3di9 s ILE 106 Ca 0.46 -0.65 0.01 0.00 -0.26 0.00 0.00 60.65 60.22 3di9 s ILE 106 Cb -0.30 -3.18 0.02 0.00 1.25 0.00 0.00 42.46 40.24 3di9 s ILE 106 CO 0.38 0.20 -0.18 -0.63 0.24 0.00 0.00 174.94 174.94 3di9 s ILE 107 N -1.33 1.81 0.14 8.37 1.01 -0.57 -0.34 121.20 130.29 3di9 s ILE 107 Ca 0.27 -0.80 0.06 0.00 0.00 0.00 0.00 60.65 60.19 3di9 s ILE 107 Cb -0.12 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3di9 s ILE 107 CO 0.20 0.50 -0.14 0.68 0.00 0.00 0.00 174.94 176.17 3di9 s VAL 108 N 1.19 1.45 -0.16 2.92 -7.23 -0.08 -0.79 120.40 117.71 3di9 s VAL 108 Ca 0.00 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 3di9 s VAL 108 Cb -0.14 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 3di9 s VAL 108 CO -0.08 -0.46 0.11 0.00 -0.31 0.00 0.00 175.10 174.36 3di9 s ALA 109 N -2.38 3.67 0.21 1.32 0.00 -0.21 -0.05 121.76 124.31 3di9 s ALA 109 Ca 0.13 -0.69 0.11 0.00 0.00 0.00 0.00 51.96 51.51 3di9 s ALA 109 Cb -0.04 -1.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 3di9 s ALA 109 CO 0.04 0.37 -0.22 0.00 0.00 0.00 0.00 175.76 175.95 3di9 s GLU 111 N -2.84 0.86 0.12 0.00 -1.05 -0.82 -4.87 118.70 110.11 3di9 s GLU 111 Ca 0.23 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 3di9 s GLU 111 Cb -0.07 0.37 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 3di9 s GLU 111 CO 0.11 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.35 3di9 n GLY 112 N -0.29 -2.85 2.68 -3.83 0.00 -1.26 -2.57 105.19 97.07 3di9 n GLY 112 Ca -0.08 -1.94 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 3di9 n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3di9 s ASN 113 N -2.22 1.93 0.87 1.61 2.47 -1.26 -2.77 114.94 115.58 3di9 s ASN 113 Ca 0.00 -0.49 -0.12 0.00 0.42 0.00 0.00 52.86 52.67 3di9 s ASN 113 Cb 0.00 0.09 0.09 0.00 -1.45 0.00 0.00 41.25 39.99 3di9 s ASN 113 CO 0.00 -0.35 1.00 -0.81 -3.72 0.00 0.00 177.10 173.22 3di9 n PRO 114 N 5.30 -0.16 -2.85 0.43 -0.04 -1.26 -5.08 135.00 131.33 3di9 n PRO 114 Ca -0.06 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 3di9 n PRO 114 Cb 0.49 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 3di9 n PRO 114 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3di9 s TYR 115 N -2.37 2.80 0.30 0.54 5.04 -1.11 -4.86 117.35 117.68 3di9 s TYR 115 Ca 0.67 -0.83 0.09 0.00 -2.44 0.00 0.00 57.07 54.56 3di9 s TYR 115 Cb -0.26 -4.33 -0.06 0.00 0.35 0.00 0.00 41.96 37.67 3di9 s TYR 115 CO 0.57 -1.63 -0.10 0.14 -1.34 0.00 0.00 175.55 173.19 3di9 s VAL 116 N 3.73 2.03 0.28 3.14 -7.23 -1.06 -4.82 120.40 116.46 3di9 s VAL 116 Ca 0.28 -2.21 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 3di9 s VAL 116 Cb -0.12 -2.48 -0.11 0.00 0.56 0.00 0.00 36.38 34.24 3di9 s VAL 116 CO 0.02 -0.30 1.48 -2.84 -0.31 0.00 0.00 175.10 173.15 3di9 s PRO 117 N -3.64 4.22 0.00 4.82 0.02 -1.26 -1.95 135.00 137.21 3di9 s PRO 117 Ca 0.30 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.72 3di9 s PRO 117 Cb 0.02 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.47 3di9 s PRO 117 CO 0.14 -0.47 0.00 1.33 -0.33 0.00 0.00 177.00 177.67 3di9 n VAL 118 N 1.99 0.00 -3.78 3.83 0.24 0.27 -4.50 118.33 116.39 3di9 n VAL 118 Ca 0.06 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 3di9 n VAL 118 Cb 0.39 0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 33.45 3di9 n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3di9 s HIS 119 N -0.88 -0.22 -0.41 6.34 3.76 -1.13 -4.64 115.29 118.12 3di9 s HIS 119 Ca 0.00 0.45 -0.13 0.00 -0.15 0.00 0.00 55.06 55.23 3di9 s HIS 119 Cb 0.00 0.09 0.04 0.00 1.11 0.00 0.00 32.58 33.82 3di9 s HIS 119 CO 0.00 -0.28 0.28 0.12 -0.85 0.00 0.00 174.74 174.00 3di9 s PHE 120 N -0.71 3.26 0.03 1.40 2.19 -1.26 -1.04 117.98 121.84 3di9 s PHE 120 Ca -0.08 -0.96 -0.17 0.00 0.33 0.00 0.00 56.93 56.05 3di9 s PHE 120 Cb -0.04 -2.70 -0.27 0.00 -1.31 0.00 0.00 43.02 38.69 3di9 s PHE 120 CO 0.02 -0.70 1.08 0.22 1.83 0.00 0.00 175.22 177.68 3di9 h ASP 121 N 8.54 0.75 0.00 6.13 3.58 -1.30 -3.49 116.42 130.63 3di9 h ASP 121 Ca -0.26 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.37 3di9 h ASP 121 Cb 1.11 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.92 3di9 h ASP 121 CO 0.74 1.48 0.00 0.00 -2.88 0.00 0.00 179.24 178.58 3di9 n ALA 122 N -2.65 0.00 -1.85 -0.78 0.00 -1.18 -5.00 120.51 109.04 3di9 n ALA 122 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3di9 n ALA 122 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.33 3di9 n ALA 122 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3di9 n SER 123 N 0.76 0.00 0.00 0.00 7.64 -1.26 -1.52 113.62 119.24 3di9 n SER 123 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3di9 n SER 123 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3di9 n SER 123 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55