#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d31 s GLN 2 N 0.00 1.98 -0.09 9.51 -1.52 -1.26 -4.33 119.66 123.95 2d31 s GLN 2 Ca 0.00 -1.22 0.01 0.00 -1.95 0.00 0.00 55.36 52.20 2d31 s GLN 2 Cb 0.00 -2.77 0.02 0.00 -0.22 0.00 0.00 33.01 30.04 2d31 s GLN 2 CO 0.00 -0.59 -0.08 1.03 -0.25 0.00 0.00 175.29 175.40 2d31 s ARG 3 N 1.21 1.44 0.17 2.91 0.52 -0.39 -4.98 118.95 119.85 2d31 s ARG 3 Ca -0.07 -0.27 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 2d31 s ARG 3 Cb -0.20 -1.39 -0.08 0.00 0.52 0.00 0.00 34.95 33.80 2d31 s ARG 3 CO -0.06 -0.14 1.23 0.99 0.02 0.00 0.00 175.30 177.34 2d31 s THR 4 N 1.26 3.52 0.30 0.02 2.01 -1.26 -1.35 115.64 120.13 2d31 s THR 4 Ca -0.04 1.24 -0.30 0.00 0.31 0.00 0.00 61.69 62.90 2d31 s THR 4 Cb -0.14 -3.79 -0.11 0.00 0.01 0.00 0.00 72.50 68.47 2d31 s THR 4 CO -0.03 0.18 1.55 -2.16 -0.69 0.00 0.00 174.62 173.47 2d31 s PRO 5 N -0.02 4.14 -0.33 4.92 0.04 -1.26 -4.48 135.00 138.01 2d31 s PRO 5 Ca 0.55 2.54 -0.12 0.00 0.04 0.00 0.00 61.00 64.00 2d31 s PRO 5 Cb -0.33 -3.03 -0.02 0.00 0.04 0.00 0.00 34.50 31.16 2d31 s PRO 5 CO 0.36 -0.58 0.22 0.15 0.04 0.00 0.00 177.00 177.19 2d31 s LYS 6 N -0.77 3.47 -0.11 4.56 1.02 0.85 -4.89 119.74 123.86 2d31 s LYS 6 Ca 0.61 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 55.90 2d31 s LYS 6 Cb -0.47 -3.75 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 2d31 s LYS 6 CO 0.50 -0.43 0.07 0.42 -0.92 0.00 0.00 175.35 174.98 2d31 s ILE 7 N 1.70 4.89 -0.11 2.17 1.09 -1.26 -1.24 121.20 128.45 2d31 s ILE 7 Ca 0.06 -0.02 -0.03 0.00 -1.10 0.00 0.00 60.65 59.56 2d31 s ILE 7 Cb -0.17 -3.11 0.04 0.00 -1.06 0.00 0.00 42.46 38.16 2d31 s ILE 7 CO 0.10 0.60 0.04 -1.10 -0.10 0.00 0.00 174.94 174.48 2d31 s GLN 8 N -0.83 0.33 -0.18 2.79 -0.21 -0.10 -4.96 119.66 116.49 2d31 s GLN 8 Ca 0.13 0.03 -0.04 0.00 0.02 0.00 0.00 55.36 55.50 2d31 s GLN 8 Cb -0.12 -1.26 -0.02 0.00 1.00 0.00 0.00 33.01 32.61 2d31 s GLN 8 CO 0.03 -0.45 -0.02 0.08 -2.12 0.00 0.00 175.29 172.81 2d31 s VAL 9 N 2.04 3.91 -0.12 1.09 1.01 -1.26 -1.04 120.40 126.02 2d31 s VAL 9 Ca 0.03 -0.34 -0.32 0.00 0.00 0.00 0.00 61.98 61.35 2d31 s VAL 9 Cb -0.14 -2.75 0.13 0.00 0.00 0.00 0.00 36.38 33.62 2d31 s VAL 9 CO -0.06 0.45 1.08 -0.72 0.00 0.00 0.00 175.10 175.86 2d31 s TYR 10 N 0.75 -0.22 0.45 5.22 -0.85 -0.77 -4.43 117.35 117.50 2d31 s TYR 10 Ca -0.01 0.17 -0.03 0.00 -0.52 0.00 0.00 57.07 56.68 2d31 s TYR 10 Cb -0.14 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.69 2d31 s TYR 10 CO 0.02 -0.33 0.72 -1.54 -1.52 0.00 0.00 175.55 172.89 2d31 s SER 11 N -2.17 6.09 0.12 -0.18 1.04 -1.26 -0.02 113.70 117.31 2d31 s SER 11 Ca 0.07 0.64 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 2d31 s SER 11 Cb -0.01 -1.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 2d31 s SER 11 CO -0.06 -0.60 1.61 0.03 0.98 0.00 0.00 173.24 175.20 2d31 h ARG 12 N 0.34 0.56 -5.88 4.02 3.08 -0.47 -3.45 114.38 112.58 2d31 h ARG 12 Ca -0.47 -0.14 -0.51 0.00 0.07 0.00 0.00 59.98 58.93 2d31 h ARG 12 Cb 1.23 -0.07 -0.20 0.00 0.08 0.00 0.00 29.97 31.01 2d31 h ARG 12 CO 0.60 0.62 -0.80 -1.01 -1.07 0.00 0.00 179.97 178.32 2d31 s HIS 13 N -5.27 1.68 -0.44 3.04 3.76 -1.26 -5.00 115.29 111.79 2d31 s HIS 13 Ca -0.13 -0.46 -0.40 0.00 -0.15 0.00 0.00 55.06 53.92 2d31 s HIS 13 Cb 0.09 -0.89 -0.17 0.00 1.11 0.00 0.00 32.58 32.72 2d31 s HIS 13 CO 0.76 0.23 1.74 -2.30 -0.85 0.00 0.00 174.74 174.31 2d31 n PRO 14 N 0.73 0.00 -1.67 8.40 -0.02 -1.26 -4.78 135.00 136.39 2d31 n PRO 14 Ca -0.17 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 60.85 2d31 n PRO 14 Cb 0.55 -1.33 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 2d31 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2d31 n ALA 15 N 5.60 1.36 -3.77 3.55 0.00 -1.26 -5.00 120.51 120.99 2d31 n ALA 15 Ca 0.42 0.41 -0.24 0.00 0.00 0.00 0.00 53.44 54.03 2d31 n ALA 15 Cb -0.04 -2.39 -0.17 0.00 0.00 0.00 0.00 19.45 16.84 2d31 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2d31 s GLU 16 N 1.55 1.06 0.15 0.00 2.12 -1.26 -5.10 118.70 117.22 2d31 s GLU 16 Ca 0.81 -0.09 -0.34 0.00 0.36 0.00 0.00 54.97 55.71 2d31 s GLU 16 Cb -0.67 -1.20 -0.16 0.00 0.26 0.00 0.00 34.13 32.36 2d31 s GLU 16 CO 0.40 -0.23 1.22 0.09 -0.54 0.00 0.00 175.26 176.20 2d31 n ASN 17 N 4.80 1.49 0.00 -1.70 5.03 -1.25 -2.12 115.26 121.51 2d31 n ASN 17 Ca -0.13 1.14 0.00 0.00 0.87 0.00 0.00 54.58 56.46 2d31 n ASN 17 Cb 0.50 -1.22 0.00 0.00 -1.02 0.00 0.00 39.78 38.04 2d31 n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2d31 n GLY 18 N 2.17 0.40 3.27 7.41 0.00 0.26 -4.97 105.19 113.73 2d31 n GLY 18 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2d31 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d31 s LYS 19 N -0.60 2.32 0.41 1.61 2.20 -0.90 -5.00 119.74 119.78 2d31 s LYS 19 Ca 0.00 -0.89 -0.26 0.00 -0.36 0.00 0.00 55.97 54.46 2d31 s LYS 19 Cb 0.00 -2.07 -0.10 0.00 -1.51 0.00 0.00 37.83 34.15 2d31 s LYS 19 CO 0.00 0.44 1.29 0.45 -0.36 0.00 0.00 175.35 177.17 2d31 n SER 20 N 2.76 2.65 -3.15 1.43 2.88 -1.26 -4.08 113.62 114.86 2d31 n SER 20 Ca -0.17 1.12 -0.08 0.00 -1.33 0.00 0.00 58.87 58.42 2d31 n SER 20 Cb 0.52 -1.51 0.02 0.00 -0.75 0.00 0.00 64.21 62.48 2d31 n SER 20 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2d31 s ASN 21 N -0.49 -0.04 0.00 -3.46 3.04 -0.16 -4.99 114.94 108.84 2d31 s ASN 21 Ca 0.60 -0.98 0.06 0.00 0.04 0.00 0.00 52.86 52.58 2d31 s ASN 21 Cb -0.51 0.77 -0.02 0.00 -1.54 0.00 0.00 41.25 39.96 2d31 s ASN 21 CO 0.59 -1.52 -0.19 -0.36 -3.04 0.00 0.00 177.10 172.57 2d31 s PHE 22 N -2.56 1.70 -0.13 0.43 0.40 -1.26 -1.09 117.98 115.46 2d31 s PHE 22 Ca 0.15 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 2d31 s PHE 22 Cb -0.05 -1.07 -0.05 0.00 0.51 0.00 0.00 43.02 42.37 2d31 s PHE 22 CO 0.10 0.00 0.22 -1.17 0.70 0.00 0.00 175.22 175.07 2d31 s LEU 23 N -0.66 4.33 -0.10 -0.37 0.20 -0.77 0.34 118.68 121.65 2d31 s LEU 23 Ca 0.07 0.51 0.03 0.00 0.69 0.00 0.00 54.13 55.42 2d31 s LEU 23 Cb -0.08 -2.23 0.01 0.00 -0.43 0.00 0.00 46.19 43.46 2d31 s LEU 23 CO -0.00 0.27 -0.18 0.20 -0.29 0.00 0.00 176.35 176.35 2d31 s ASN 24 N -0.38 2.56 -0.25 3.68 0.01 0.97 -2.92 114.94 118.62 2d31 s ASN 24 Ca 0.15 -0.46 -0.07 0.00 -0.71 0.00 0.00 52.86 51.77 2d31 s ASN 24 Cb -0.13 -1.16 -0.03 0.00 0.41 0.00 0.00 41.25 40.34 2d31 s ASN 24 CO 0.04 0.07 0.06 0.00 -1.51 0.00 0.00 177.10 175.76 2d31 s TYR 26 N 1.58 3.38 -0.26 0.00 5.04 -0.21 -1.90 117.35 124.98 2d31 s TYR 26 Ca 0.06 -1.82 -0.09 0.00 -2.44 0.00 0.00 57.07 52.78 2d31 s TYR 26 Cb -0.15 -2.73 -0.04 0.00 0.35 0.00 0.00 41.96 39.39 2d31 s TYR 26 CO 0.03 -0.85 0.13 0.08 -1.34 0.00 0.00 175.55 173.60 2d31 s VAL 27 N 1.31 4.84 0.13 3.14 1.01 -0.78 -0.92 120.40 129.12 2d31 s VAL 27 Ca 0.02 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 2d31 s VAL 27 Cb -0.22 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2d31 s VAL 27 CO -0.00 0.30 0.19 -0.94 0.00 0.00 0.00 175.10 174.65 2d31 s SER 28 N 1.63 0.15 -1.16 3.32 1.04 -0.37 -0.48 113.70 117.82 2d31 s SER 28 Ca 0.07 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2d31 s SER 28 Cb -0.15 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2d31 s SER 28 CO 0.07 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2d31 n GLY 29 N -0.13 -0.17 3.63 7.32 0.00 0.65 -0.11 105.19 116.38 2d31 n GLY 29 Ca -0.09 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2d31 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2d31 s PHE 30 N -2.68 2.95 -0.18 1.61 -0.71 -0.99 -4.48 117.98 113.51 2d31 s PHE 30 Ca 0.00 -0.01 -0.10 0.00 -1.04 0.00 0.00 56.93 55.79 2d31 s PHE 30 Cb 0.00 -1.62 0.06 0.00 -1.21 0.00 0.00 43.02 40.26 2d31 s PHE 30 CO 0.00 0.41 0.43 -1.58 -1.34 0.00 0.00 175.22 173.14 2d31 s HIS 31 N -1.05 -0.65 0.00 3.49 2.46 -0.46 -0.95 115.29 118.12 2d31 s HIS 31 Ca 0.19 1.37 0.00 0.00 0.47 0.00 0.00 55.06 57.09 2d31 s HIS 31 Cb -0.11 0.30 0.00 0.00 -0.13 0.00 0.00 32.58 32.64 2d31 s HIS 31 CO 0.09 -0.37 0.00 -0.35 -2.47 0.00 0.00 174.74 171.65 2d31 n PRO 32 N 4.34 -0.14 0.00 2.88 -0.04 -1.26 -1.26 135.00 139.52 2d31 n PRO 32 Ca -0.22 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.36 2d31 n PRO 32 Cb 0.55 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.30 2d31 n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2d31 n SER 33 N -1.67 1.48 -4.74 3.54 3.41 -1.26 -4.88 113.62 109.50 2d31 n SER 33 Ca 0.00 -1.21 -0.39 0.00 -0.26 0.00 0.00 58.87 57.01 2d31 n SER 33 Cb 0.00 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 2d31 n SER 33 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2d31 s ASP 34 N -2.38 6.91 -0.28 4.04 -1.08 -1.26 -5.02 116.67 117.60 2d31 s ASP 34 Ca 0.25 1.09 -0.20 0.00 -0.52 0.00 0.00 52.55 53.18 2d31 s ASP 34 Cb 0.19 -2.36 0.11 0.00 -1.46 0.00 0.00 42.92 39.39 2d31 s ASP 34 CO 0.49 -0.00 0.86 -0.51 0.52 0.00 0.00 175.17 176.53 2d31 s ILE 35 N 0.36 0.00 -0.15 4.11 2.07 -1.26 -4.49 121.20 121.84 2d31 s ILE 35 Ca 0.32 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.54 2d31 s ILE 35 Cb -0.17 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.40 2d31 s ILE 35 CO 0.16 0.00 -0.08 -0.70 -1.91 0.00 0.00 174.94 172.41 2d31 s GLU 36 N 0.95 3.51 -0.06 3.50 2.12 -0.28 -4.98 118.70 123.45 2d31 s GLU 36 Ca -0.04 -0.61 0.02 0.00 0.36 0.00 0.00 54.97 54.70 2d31 s GLU 36 Cb -0.05 -2.79 0.01 0.00 0.26 0.00 0.00 34.13 31.57 2d31 s GLU 36 CO -0.11 0.18 -0.10 0.08 -0.54 0.00 0.00 175.26 174.77 2d31 s VAL 37 N 0.48 0.98 -0.01 3.70 1.01 -1.26 0.41 120.40 125.71 2d31 s VAL 37 Ca -0.06 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2d31 s VAL 37 Cb -0.15 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2d31 s VAL 37 CO 0.04 0.32 -0.14 -1.81 0.00 0.00 0.00 175.10 173.50 2d31 s ASP 38 N 0.66 1.68 -0.07 3.32 1.11 0.37 -4.98 116.67 118.76 2d31 s ASP 38 Ca -0.13 -0.26 -0.02 0.00 0.18 0.00 0.00 52.55 52.32 2d31 s ASP 38 Cb -0.15 -0.22 -0.03 0.00 1.07 0.00 0.00 42.92 43.59 2d31 s ASP 38 CO 0.03 0.17 0.03 -0.76 1.18 0.00 0.00 175.17 175.82 2d31 s LEU 39 N -0.29 3.72 -0.07 1.23 2.01 -1.26 0.12 118.68 124.15 2d31 s LEU 39 Ca 0.05 0.17 0.03 0.00 0.01 0.00 0.00 54.13 54.39 2d31 s LEU 39 Cb -0.06 -1.93 0.01 0.00 0.01 0.00 0.00 46.19 44.22 2d31 s LEU 39 CO -0.00 0.36 -0.16 -0.76 1.01 0.00 0.00 176.35 176.80 2d31 s LEU 40 N -1.08 1.80 -0.41 1.79 1.02 -0.18 -2.19 118.68 119.43 2d31 s LEU 40 Ca 0.15 -0.37 -0.06 0.00 0.02 0.00 0.00 54.13 53.88 2d31 s LEU 40 Cb -0.12 -0.98 0.10 0.00 0.02 0.00 0.00 46.19 45.21 2d31 s LEU 40 CO 0.05 0.09 0.23 -0.75 0.02 0.00 0.00 176.35 175.98 2d31 s LYS 41 N 0.45 2.29 -1.32 1.70 2.20 -0.92 -0.50 119.74 123.63 2d31 s LYS 41 Ca -0.13 -1.67 -0.00 0.00 -0.36 0.00 0.00 55.97 53.81 2d31 s LYS 41 Cb -0.15 -3.66 -0.00 0.00 -1.51 0.00 0.00 37.83 32.50 2d31 s LYS 41 CO 0.04 -1.02 0.64 0.09 -0.36 0.00 0.00 175.35 174.74 2d31 n ASN 42 N 4.74 -1.07 0.00 1.43 4.13 0.30 -3.51 115.26 121.28 2d31 n ASN 42 Ca -0.06 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.34 2d31 n ASN 42 Cb 0.42 -3.85 0.00 0.00 -1.54 0.00 0.00 39.78 34.81 2d31 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d31 n GLY 43 N -1.66 3.09 3.83 7.41 0.00 -1.26 -5.04 105.19 111.56 2d31 n GLY 43 Ca -0.30 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 2d31 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d31 s GLU 44 N 0.00 4.10 0.24 1.61 2.02 -1.23 -4.98 118.70 120.47 2d31 s GLU 44 Ca 0.00 0.64 -0.31 0.00 0.02 0.00 0.00 54.97 55.32 2d31 s GLU 44 Cb 0.00 -3.05 -0.12 0.00 0.10 0.00 0.00 34.13 31.06 2d31 s GLU 44 CO 0.00 0.53 1.61 0.54 0.02 0.00 0.00 175.26 177.96 2d31 n ARG 45 N 1.15 2.58 -3.30 1.61 1.74 -1.26 -2.16 116.66 117.02 2d31 n ARG 45 Ca -0.07 0.92 -0.38 0.00 -0.77 0.00 0.00 57.85 57.55 2d31 n ARG 45 Cb 0.51 -2.71 -0.06 0.00 -1.02 0.00 0.00 32.46 29.19 2d31 n ARG 45 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2d31 s ILE 46 N 0.46 5.12 -0.06 0.55 2.07 -0.93 -4.91 121.20 123.50 2d31 s ILE 46 Ca 0.70 1.01 -0.14 0.00 -1.41 0.00 0.00 60.65 60.81 2d31 s ILE 46 Cb -0.54 -3.84 -0.09 0.00 0.13 0.00 0.00 42.46 38.12 2d31 s ILE 46 CO 0.42 0.36 0.57 -0.08 -1.91 0.00 0.00 174.94 174.30 2d31 h GLU 47 N 6.34 -0.30 -5.46 3.50 4.57 -1.94 -3.42 114.58 117.86 2d31 h GLU 47 Ca -0.43 0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 57.65 2d31 h GLU 47 Cb 1.19 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 2d31 h GLU 47 CO 0.73 -0.06 0.33 0.15 -1.18 0.00 0.00 179.01 178.98 2d31 s LYS 48 N -2.92 1.94 -0.23 1.92 3.01 -1.26 -4.83 119.74 117.38 2d31 s LYS 48 Ca -0.08 0.05 -0.08 0.00 -1.01 0.00 0.00 55.97 54.84 2d31 s LYS 48 Cb 0.00 -4.92 0.10 0.00 -1.01 0.00 0.00 37.83 32.00 2d31 s LYS 48 CO 0.27 -4.14 0.50 0.54 0.51 0.00 0.00 175.35 173.03 2d31 s VAL 49 N 13.14 -0.66 0.02 3.17 0.11 -1.26 -4.79 120.40 130.13 2d31 s VAL 49 Ca 0.82 0.10 0.02 0.00 -2.93 0.00 0.00 61.98 60.00 2d31 s VAL 49 Cb -0.09 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2d31 s VAL 49 CO 0.06 0.04 0.02 -1.83 -3.33 0.00 0.00 175.10 170.07 2d31 s GLU 50 N 2.54 2.81 0.12 1.54 1.03 -1.22 -4.98 118.70 120.53 2d31 s GLU 50 Ca -0.04 -0.63 -0.00 0.00 0.03 0.00 0.00 54.97 54.32 2d31 s GLU 50 Cb -0.11 -2.69 0.02 0.00 -0.80 0.00 0.00 34.13 30.55 2d31 s GLU 50 CO -0.15 0.61 0.16 -2.39 -1.33 0.00 0.00 175.26 172.16 2d31 n HIS 51 N 1.12 -3.36 0.00 4.83 1.44 -1.26 -1.54 115.22 116.45 2d31 n HIS 51 Ca -0.13 -0.27 0.00 0.00 -2.01 0.00 0.00 57.72 55.31 2d31 n HIS 51 Cb 0.52 -0.12 0.00 0.00 0.12 0.00 0.00 29.99 30.51 2d31 n HIS 51 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2d31 n SER 52 N -3.00 0.00 -3.54 4.39 2.88 0.18 -4.89 113.62 109.64 2d31 n SER 52 Ca 0.03 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 2d31 n SER 52 Cb 0.09 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 2d31 n SER 52 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2d31 s ASP 53 N -1.22 -0.35 0.13 -3.46 -0.00 -1.26 -5.01 116.67 105.49 2d31 s ASP 53 Ca 0.00 0.18 -0.31 0.00 -0.00 0.00 0.00 52.55 52.42 2d31 s ASP 53 Cb 0.00 0.33 -0.08 0.00 -0.00 0.00 0.00 42.92 43.18 2d31 s ASP 53 CO 0.00 -0.48 1.34 -0.22 -0.00 0.00 0.00 175.17 175.82 2d31 s LEU 54 N -1.87 4.38 0.32 1.23 2.96 -1.26 -4.79 118.68 119.64 2d31 s LEU 54 Ca 0.02 2.30 -0.05 0.00 -0.22 0.00 0.00 54.13 56.18 2d31 s LEU 54 Cb -0.01 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2d31 s LEU 54 CO -0.04 -0.60 0.46 -0.55 -1.32 0.00 0.00 176.35 174.31 2d31 s SER 55 N 0.91 0.62 0.14 3.68 0.15 -1.13 -5.04 113.70 113.02 2d31 s SER 55 Ca 0.62 -1.35 -0.07 0.00 0.70 0.00 0.00 55.95 55.85 2d31 s SER 55 Cb -0.36 0.64 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 2d31 s SER 55 CO 0.32 -1.25 0.20 0.72 1.20 0.00 0.00 173.24 174.43 2d31 s PHE 56 N -3.30 0.46 0.00 3.44 -0.71 -1.26 -0.32 117.98 116.28 2d31 s PHE 56 Ca 0.29 -0.84 0.00 0.00 -1.04 0.00 0.00 56.93 55.33 2d31 s PHE 56 Cb -0.00 -0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 2d31 s PHE 56 CO 0.17 -0.63 0.00 -1.13 -1.34 0.00 0.00 175.22 172.29 2d31 n SER 57 N -0.14 1.10 0.35 1.98 3.41 -0.35 -4.97 113.62 114.99 2d31 n SER 57 Ca -0.09 -0.16 -0.17 0.00 -0.26 0.00 0.00 58.87 58.19 2d31 n SER 57 Cb 0.63 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 2d31 n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2d31 h LYS 58 N 0.00 -0.85 -6.98 4.33 1.79 -2.03 -3.38 116.57 109.45 2d31 h LYS 58 Ca 0.00 0.06 -0.51 0.00 -2.18 0.00 0.00 60.65 58.01 2d31 h LYS 58 Cb 0.00 0.19 0.07 0.00 -1.58 0.00 0.00 32.23 30.91 2d31 h LYS 58 CO 0.00 -0.53 0.52 0.16 -1.08 0.00 0.00 179.45 178.52 2d31 s ASP 59 N -4.49 6.19 0.00 0.86 3.84 -1.26 -4.82 116.67 117.00 2d31 s ASP 59 Ca -0.17 2.41 0.00 0.00 -0.00 0.00 0.00 52.55 54.80 2d31 s ASP 59 Cb 0.03 -2.61 0.00 0.00 -1.38 0.00 0.00 42.92 38.95 2d31 s ASP 59 CO 0.56 -0.91 0.91 0.79 -0.00 0.00 0.00 175.17 176.52 2d31 n TRP 60 N -0.31 0.00 -3.89 2.11 7.02 -1.26 -4.82 117.44 116.29 2d31 n TRP 60 Ca 0.06 -0.45 -0.29 0.00 -1.02 0.00 0.00 57.50 55.80 2d31 n TRP 60 Cb 0.47 -0.29 -0.04 0.00 -2.42 0.00 0.00 31.31 29.03 2d31 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2d31 s SER 61 N 1.45 6.36 0.61 -0.99 1.04 -1.26 -4.86 113.70 116.05 2d31 s SER 61 Ca 0.00 0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.67 2d31 s SER 61 Cb 0.00 -1.95 0.04 0.00 0.10 0.00 0.00 66.02 64.21 2d31 s SER 61 CO 0.00 0.09 0.88 -0.36 0.98 0.00 0.00 173.24 174.82 2d31 s PHE 62 N -1.66 2.92 -0.06 5.02 0.40 -0.13 -1.22 117.98 123.26 2d31 s PHE 62 Ca 0.36 0.22 -0.30 0.00 -0.60 0.00 0.00 56.93 56.61 2d31 s PHE 62 Cb -0.12 -2.91 0.09 0.00 0.51 0.00 0.00 43.02 40.59 2d31 s PHE 62 CO 0.28 -1.07 0.81 1.52 0.70 0.00 0.00 175.22 177.46 2d31 s TYR 63 N -2.96 -0.51 0.11 0.36 -0.85 0.56 -0.25 117.35 113.80 2d31 s TYR 63 Ca 0.58 0.77 -0.09 0.00 -0.52 0.00 0.00 57.07 57.81 2d31 s TYR 63 Cb -0.10 0.45 -0.00 0.00 0.38 0.00 0.00 41.96 42.69 2d31 s TYR 63 CO 0.41 -0.53 0.23 -0.51 -1.52 0.00 0.00 175.55 173.63 2d31 s LEU 64 N -1.46 1.24 -0.13 -3.49 1.43 0.36 -2.84 118.68 113.79 2d31 s LEU 64 Ca -0.05 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 2d31 s LEU 64 Cb -0.00 1.13 0.05 0.00 0.03 0.00 0.00 46.19 47.39 2d31 s LEU 64 CO 0.03 -0.78 0.03 -0.22 0.23 0.00 0.00 176.35 175.64 2d31 s LEU 65 N -2.88 0.78 0.13 1.79 2.96 -1.26 -1.87 118.68 118.33 2d31 s LEU 65 Ca 0.08 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2d31 s LEU 65 Cb 0.04 -0.46 -0.05 0.00 0.50 0.00 0.00 46.19 46.22 2d31 s LEU 65 CO -0.08 -0.26 0.32 -0.31 -1.32 0.00 0.00 176.35 174.69 2d31 s TYR 66 N 1.96 3.49 0.10 5.38 1.51 -0.80 0.48 117.35 129.47 2d31 s TYR 66 Ca 0.02 0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 56.20 2d31 s TYR 66 Cb -0.15 -1.86 0.08 0.00 -0.11 0.00 0.00 41.96 39.92 2d31 s TYR 66 CO -0.07 0.47 0.68 1.52 -1.11 0.00 0.00 175.55 177.04 2d31 s TYR 67 N -1.68 -0.50 0.04 2.71 -0.85 -0.59 -1.85 117.35 114.63 2d31 s TYR 67 Ca 0.38 0.36 -0.00 0.00 -0.52 0.00 0.00 57.07 57.28 2d31 s TYR 67 Cb -0.12 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 2d31 s TYR 67 CO 0.27 -0.76 -0.04 0.99 -1.52 0.00 0.00 175.55 174.50 2d31 s THR 68 N -3.41 0.24 0.08 -3.49 2.01 -1.15 -3.41 115.64 106.51 2d31 s THR 68 Ca 0.01 -1.42 -0.25 0.00 0.31 0.00 0.00 61.69 60.34 2d31 s THR 68 Cb -0.01 -0.98 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 2d31 s THR 68 CO -0.10 -0.75 0.77 -0.70 -0.69 0.00 0.00 174.62 173.15 2d31 s GLU 69 N -2.79 4.52 0.01 4.92 2.12 -1.26 -1.84 118.70 124.37 2d31 s GLU 69 Ca -0.03 1.10 -0.28 0.00 0.36 0.00 0.00 54.97 56.12 2d31 s GLU 69 Cb -0.00 -3.34 0.08 0.00 0.26 0.00 0.00 34.13 31.13 2d31 s GLU 69 CO -0.05 0.36 0.69 -0.59 -0.54 0.00 0.00 175.26 175.13 2d31 s PHE 70 N -0.36 -0.58 -0.24 5.30 -0.71 -0.25 -4.95 117.98 116.19 2d31 s PHE 70 Ca 0.38 0.79 0.02 0.00 -1.04 0.00 0.00 56.93 57.08 2d31 s PHE 70 Cb -0.21 0.47 0.05 0.00 -1.21 0.00 0.00 43.02 42.12 2d31 s PHE 70 CO 0.24 -0.66 -0.12 -0.08 -1.34 0.00 0.00 175.22 173.26 2d31 s THR 71 N -2.08 2.06 0.15 -4.49 -1.32 -1.26 -0.99 115.64 107.71 2d31 s THR 71 Ca -0.06 -1.42 -0.33 0.00 -1.21 0.00 0.00 61.69 58.67 2d31 s THR 71 Cb -0.00 -2.12 -0.13 0.00 -1.51 0.00 0.00 72.50 68.74 2d31 s THR 71 CO 0.01 0.09 1.65 -0.81 -2.21 0.00 0.00 174.62 173.36 2d31 n PRO 72 N 4.51 2.35 -4.03 7.08 -0.04 -1.26 -4.72 135.00 138.89 2d31 n PRO 72 Ca -0.15 0.85 -0.12 0.00 -0.04 0.00 0.00 63.50 64.04 2d31 n PRO 72 Cb 0.44 -2.65 -0.12 0.00 -0.04 0.00 0.00 33.50 31.13 2d31 n PRO 72 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2d31 s THR 73 N 1.33 0.34 0.19 0.52 -1.32 -1.26 0.93 115.64 116.37 2d31 s THR 73 Ca 0.79 -0.89 0.32 0.00 -1.21 0.00 0.00 61.69 60.70 2d31 s THR 73 Cb -0.62 -0.42 0.32 0.00 -1.51 0.00 0.00 72.50 70.26 2d31 s THR 73 CO 0.37 -0.36 1.97 -0.08 -2.21 0.00 0.00 174.62 174.31 2d31 h GLU 74 N 4.77 0.00 0.00 7.08 4.57 -1.98 -2.28 114.58 126.74 2d31 h GLU 74 Ca -0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 2d31 h GLU 74 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2d31 h GLU 74 CO 0.42 0.00 -1.75 1.17 -1.18 0.00 0.00 179.01 177.67 2d31 n LYS 75 N -2.62 0.60 -2.88 1.92 4.81 -1.26 -4.97 118.16 113.77 2d31 n LYS 75 Ca -0.02 -0.15 -0.41 0.00 -0.87 0.00 0.00 58.31 56.86 2d31 n LYS 75 Cb 0.06 -1.43 -0.04 0.00 0.02 0.00 0.00 35.03 33.63 2d31 n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2d31 s ASP 76 N -3.99 7.28 -0.14 3.14 -0.00 -0.86 -5.05 116.67 117.05 2d31 s ASP 76 Ca -0.06 1.54 -0.06 0.00 -0.00 0.00 0.00 52.55 53.97 2d31 s ASP 76 Cb 0.12 -2.51 -0.04 0.00 -0.00 0.00 0.00 42.92 40.49 2d31 s ASP 76 CO 0.76 -0.07 0.07 -1.61 -0.00 0.00 0.00 175.17 174.32 2d31 s GLU 77 N 0.25 3.60 0.04 8.23 0.41 -1.26 -4.81 118.70 125.16 2d31 s GLU 77 Ca 0.43 -0.31 0.05 0.00 -0.41 0.00 0.00 54.97 54.73 2d31 s GLU 77 Cb -0.21 -3.10 -0.02 0.00 -1.78 0.00 0.00 34.13 29.02 2d31 s GLU 77 CO 0.25 0.51 -0.15 0.71 -0.49 0.00 0.00 175.26 176.08 2d31 s TYR 78 N -0.29 1.33 0.23 1.61 2.02 -1.26 0.11 117.35 121.10 2d31 s TYR 78 Ca 0.09 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.31 2d31 s TYR 78 Cb -0.12 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.65 2d31 s TYR 78 CO 0.02 0.05 0.43 0.00 -1.57 0.00 0.00 175.55 174.47 2d31 s ALA 79 N -0.86 -0.10 -0.10 3.71 0.00 0.34 -0.60 121.76 124.15 2d31 s ALA 79 Ca 0.02 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2d31 s ALA 79 Cb -0.08 1.08 0.00 0.00 0.00 0.00 0.00 23.12 24.12 2d31 s ALA 79 CO 0.01 -0.81 -0.21 0.00 0.00 0.00 0.00 175.76 174.76 2d31 s ARG 81 N 0.50 2.29 -0.06 0.00 3.52 0.33 -0.84 118.95 124.69 2d31 s ARG 81 Ca -0.16 -1.33 0.04 0.00 -0.13 0.00 0.00 55.73 54.15 2d31 s ARG 81 Cb -0.17 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 2d31 s ARG 81 CO 0.06 -0.59 -0.17 0.54 -0.81 0.00 0.00 175.30 174.33 2d31 s VAL 82 N 1.14 2.80 -0.03 7.11 0.11 -0.92 0.14 120.40 130.76 2d31 s VAL 82 Ca -0.08 -0.81 0.06 0.00 -2.93 0.00 0.00 61.98 58.23 2d31 s VAL 82 Cb -0.20 -2.09 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 2d31 s VAL 82 CO -0.04 0.57 -0.22 0.21 -3.33 0.00 0.00 175.10 172.30 2d31 s ASN 83 N -0.44 2.62 0.17 3.54 2.47 0.17 -2.00 114.94 121.47 2d31 s ASN 83 Ca 0.05 -0.41 -0.01 0.00 0.42 0.00 0.00 52.86 52.91 2d31 s ASN 83 Cb -0.12 -0.40 -0.04 0.00 -1.45 0.00 0.00 41.25 39.24 2d31 s ASN 83 CO 0.02 0.26 0.08 -2.28 -3.72 0.00 0.00 177.10 171.46 2d31 s HIS 84 N -0.41 1.06 0.25 0.43 5.65 -1.26 -1.13 115.29 119.88 2d31 s HIS 84 Ca 0.06 -1.27 0.28 0.00 0.25 0.00 0.00 55.06 54.38 2d31 s HIS 84 Cb -0.10 -0.56 1.27 0.00 -1.18 0.00 0.00 32.58 32.01 2d31 s HIS 84 CO 0.00 -0.53 1.97 -0.24 -0.65 0.00 0.00 174.74 175.29 2d31 h VAL 85 N 2.72 0.42 -0.00 0.89 3.04 -1.97 -3.20 116.25 118.14 2d31 h VAL 85 Ca -0.36 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 64.58 2d31 h VAL 85 Cb 1.22 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 2d31 h VAL 85 CO 0.57 0.13 0.00 0.41 -1.01 0.00 0.00 177.57 177.67 2d31 n THR 86 N -3.39 0.01 -3.72 3.17 -1.04 -1.26 -4.77 114.28 103.27 2d31 n THR 86 Ca -0.01 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.85 2d31 n THR 86 Cb 0.32 -0.36 -0.14 0.00 -1.82 0.00 0.00 70.33 68.33 2d31 n THR 86 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2d31 s LEU 87 N -1.83 0.42 0.25 -4.42 2.34 -1.21 -5.00 118.68 109.24 2d31 s LEU 87 Ca 0.39 0.37 -0.02 0.00 0.06 0.00 0.00 54.13 54.93 2d31 s LEU 87 Cb 0.18 0.43 0.51 0.00 -0.56 0.00 0.00 46.19 46.76 2d31 s LEU 87 CO 0.31 -0.18 1.72 0.28 -1.06 0.00 0.00 176.35 177.42 2d31 h SER 88 N 7.55 0.28 -4.11 1.48 0.02 -1.87 -3.42 113.55 113.48 2d31 h SER 88 Ca -0.34 0.12 -0.69 0.00 -0.84 0.00 0.00 61.79 60.04 2d31 h SER 88 Cb 1.14 0.10 -0.24 0.00 0.14 0.00 0.00 62.40 63.54 2d31 h SER 88 CO 0.33 0.08 -0.81 0.00 -1.14 0.00 0.00 176.83 175.29 2d31 s GLN 89 N -5.99 2.20 0.00 3.45 0.00 -1.26 -5.09 119.66 112.97 2d31 s GLN 89 Ca -0.12 -0.89 -0.30 0.00 -0.00 0.00 0.00 55.36 54.05 2d31 s GLN 89 Cb 0.22 -2.21 -0.07 0.00 0.00 0.00 0.00 33.01 30.94 2d31 s GLN 89 CO 0.77 0.57 1.70 -2.14 0.00 0.00 0.00 175.29 176.18 2d31 s PRO 90 N -1.07 4.18 -0.11 9.60 0.02 -1.26 -4.93 135.00 141.44 2d31 s PRO 90 Ca 0.13 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 63.15 2d31 s PRO 90 Cb -0.10 -3.87 -0.03 0.00 0.02 0.00 0.00 34.50 30.51 2d31 s PRO 90 CO 0.03 -0.82 1.33 0.15 -0.33 0.00 0.00 177.00 177.35 2d31 s LYS 91 N 3.59 4.25 -0.44 5.54 -0.14 -0.85 -4.89 119.74 126.81 2d31 s LYS 91 Ca 0.76 1.78 -0.03 0.00 -1.36 0.00 0.00 55.97 57.11 2d31 s LYS 91 Cb -0.37 -3.74 0.12 0.00 -1.68 0.00 0.00 37.83 32.16 2d31 s LYS 91 CO 0.32 -0.67 0.24 0.42 -0.76 0.00 0.00 175.35 174.91 2d31 s ILE 92 N 3.24 3.42 -0.26 2.17 1.01 -1.26 -2.17 121.20 127.35 2d31 s ILE 92 Ca 0.59 -2.14 -0.10 0.00 0.00 0.00 0.00 60.65 59.00 2d31 s ILE 92 Cb -0.25 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 2d31 s ILE 92 CO 0.19 -0.72 0.15 0.54 0.00 0.00 0.00 174.94 175.10 2d31 s VAL 93 N 1.02 5.09 0.41 2.92 0.11 -0.02 -4.92 120.40 125.02 2d31 s VAL 93 Ca 0.09 0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 59.03 2d31 s VAL 93 Cb -0.23 -3.40 -0.11 0.00 -1.53 0.00 0.00 36.38 31.12 2d31 s VAL 93 CO -0.04 0.31 0.92 -0.54 -3.33 0.00 0.00 175.10 172.42 2d31 s LYS 94 N 1.46 4.21 -0.45 1.54 1.02 -1.26 -0.25 119.74 126.01 2d31 s LYS 94 Ca 0.07 1.06 -0.26 0.00 0.02 0.00 0.00 55.97 56.86 2d31 s LYS 94 Cb -0.15 -2.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2d31 s LYS 94 CO 0.07 0.01 0.96 -0.46 -0.92 0.00 0.00 175.35 175.01 2d31 s TRP 95 N -2.13 2.93 -0.06 3.18 -0.00 0.23 -4.91 118.94 118.18 2d31 s TRP 95 Ca 0.60 0.50 -0.24 0.00 -0.00 0.00 0.00 56.10 56.97 2d31 s TRP 95 Cb -0.09 -3.99 -0.04 0.00 -0.00 0.00 0.00 33.47 29.35 2d31 s TRP 95 CO 0.14 -1.08 0.72 0.34 -0.00 0.00 0.00 176.95 177.07 2d31 s ASP 96 N 2.23 7.01 0.27 5.86 -1.08 -1.26 -4.79 116.67 124.91 2d31 s ASP 96 Ca 0.39 1.22 0.11 0.00 -0.52 0.00 0.00 52.55 53.75 2d31 s ASP 96 Cb -0.10 -2.42 0.35 0.00 -1.46 0.00 0.00 42.92 39.29 2d31 s ASP 96 CO 0.26 -0.13 1.61 -0.09 0.52 0.00 0.00 175.17 177.34 2d31 h ARG 97 N 6.77 0.00 -0.65 4.34 2.43 -1.95 -2.41 114.38 122.91 2d31 h ARG 97 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2d31 h ARG 97 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 2d31 h ARG 97 CO 0.75 0.62 0.00 -0.25 -1.51 0.00 0.00 179.97 179.58 2d31 n ASP 98 N -3.79 4.84 0.00 -3.80 10.43 -1.26 -4.65 116.55 118.32 2d31 n ASP 98 Ca -0.01 -2.50 0.00 0.00 2.57 0.00 0.00 54.79 54.85 2d31 n ASP 98 Cb 0.62 -0.59 0.00 0.00 1.84 0.00 0.00 41.12 42.99 2d31 n ASP 98 CO 0.00 0.00 0.00 0.80 -1.07 0.00 0.00 177.20 176.93