#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t21 s GLN 2 N 0.00 1.29 -0.06 6.28 -0.21 -1.26 -4.50 119.66 121.20 1t21 s GLN 2 Ca 0.00 -1.12 -0.03 0.00 0.02 0.00 0.00 55.36 54.23 1t21 s GLN 2 Cb 0.00 -1.54 0.03 0.00 1.00 0.00 0.00 33.01 32.50 1t21 s GLN 2 CO 0.00 0.37 0.13 1.03 -2.12 0.00 0.00 175.29 174.71 1t21 s ARG 3 N -1.66 0.10 0.29 2.91 0.52 0.54 -4.90 118.95 116.75 1t21 s ARG 3 Ca 0.08 0.32 -0.28 0.00 -0.52 0.00 0.00 55.73 55.33 1t21 s ARG 3 Cb -0.10 -0.13 -0.09 0.00 0.52 0.00 0.00 34.95 35.15 1t21 s ARG 3 CO 0.04 -0.13 0.99 -0.08 0.02 0.00 0.00 175.30 176.13 1t21 s THR 4 N 0.92 3.95 0.33 0.02 -1.32 -1.26 -1.55 115.64 116.73 1t21 s THR 4 Ca -0.07 1.80 -0.28 0.00 -1.21 0.00 0.00 61.69 61.93 1t21 s THR 4 Cb -0.09 -4.08 -0.10 0.00 -1.51 0.00 0.00 72.50 66.72 1t21 s THR 4 CO -0.04 0.31 1.20 -2.16 -2.21 0.00 0.00 174.62 171.71 1t21 s PRO 5 N -1.65 4.37 0.20 7.08 0.04 -1.26 -4.30 135.00 139.48 1t21 s PRO 5 Ca 0.46 1.97 -0.09 0.00 0.04 0.00 0.00 61.00 63.39 1t21 s PRO 5 Cb -0.25 -3.00 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 1t21 s PRO 5 CO 0.31 -0.09 0.50 0.15 0.04 0.00 0.00 177.00 177.91 1t21 s LYS 6 N -1.82 3.76 -0.03 4.56 1.02 0.49 -4.92 119.74 122.81 1t21 s LYS 6 Ca 0.50 0.19 0.03 0.00 0.02 0.00 0.00 55.97 56.70 1t21 s LYS 6 Cb -0.35 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 1t21 s LYS 6 CO 0.45 0.37 -0.11 0.42 -0.92 0.00 0.00 175.35 175.57 1t21 s ILE 7 N -1.74 0.91 -0.04 2.17 -1.09 -1.26 -2.09 121.20 118.06 1t21 s ILE 7 Ca 0.45 -0.44 0.01 0.00 -2.23 0.00 0.00 60.65 58.44 1t21 s ILE 7 Cb -0.12 -0.79 0.02 0.00 -1.58 0.00 0.00 42.46 39.99 1t21 s ILE 7 CO 0.22 0.27 -0.04 -1.10 -1.23 0.00 0.00 174.94 173.06 1t21 s GLN 8 N 0.09 0.71 -0.13 2.79 -0.21 -0.48 -4.99 119.66 117.45 1t21 s GLN 8 Ca -0.02 -0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.30 1t21 s GLN 8 Cb -0.08 -0.74 -0.00 0.00 1.00 0.00 0.00 33.01 33.19 1t21 s GLN 8 CO 0.01 -0.07 -0.20 0.08 -2.12 0.00 0.00 175.29 172.99 1t21 s VAL 9 N 0.83 2.38 0.04 1.09 1.01 -1.26 -0.30 120.40 124.19 1t21 s VAL 9 Ca -0.11 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 1t21 s VAL 9 Cb -0.13 -1.96 0.09 0.00 0.00 0.00 0.00 36.38 34.38 1t21 s VAL 9 CO -0.00 0.54 0.94 -0.72 0.00 0.00 0.00 175.10 175.86 1t21 s TYR 10 N 0.55 -0.25 0.17 5.22 1.13 -0.40 -4.55 117.35 119.22 1t21 s TYR 10 Ca -0.12 0.06 -0.01 0.00 -1.41 0.00 0.00 57.07 55.60 1t21 s TYR 10 Cb -0.17 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 1t21 s TYR 10 CO 0.04 -0.62 0.36 -1.54 -2.51 0.00 0.00 175.55 171.28 1t21 s SER 11 N -2.65 6.39 0.21 -0.18 1.04 -1.26 0.68 113.70 117.93 1t21 s SER 11 Ca 0.08 0.39 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 1t21 s SER 11 Cb -0.01 -2.01 0.16 0.00 0.10 0.00 0.00 66.02 64.26 1t21 s SER 11 CO -0.05 0.00 1.68 -0.09 0.98 0.00 0.00 173.24 175.77 1t21 h ARG 12 N 2.24 0.99 -6.24 4.02 2.43 -1.50 -3.45 114.38 112.87 1t21 h ARG 12 Ca -0.47 -0.30 -0.61 0.00 -0.81 0.00 0.00 59.98 57.79 1t21 h ARG 12 Cb 1.18 -0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.49 1t21 h ARG 12 CO 0.70 0.97 -0.77 -1.01 -1.51 0.00 0.00 179.97 178.35 1t21 s HIS 13 N -5.02 2.27 0.14 2.20 3.76 -1.26 -5.04 115.29 112.35 1t21 s HIS 13 Ca -0.11 -0.34 -0.34 0.00 -0.15 0.00 0.00 55.06 54.12 1t21 s HIS 13 Cb 0.14 -1.00 -0.16 0.00 1.11 0.00 0.00 32.58 32.66 1t21 s HIS 13 CO 0.84 0.68 1.13 -2.30 -0.85 0.00 0.00 174.74 174.24 1t21 n PRO 14 N -0.50 0.94 -2.08 8.40 -0.02 -1.26 -4.83 135.00 135.65 1t21 n PRO 14 Ca -0.06 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 1t21 n PRO 14 Cb 0.59 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 1t21 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t21 s ALA 15 N -0.15 3.66 -0.13 3.55 0.00 -1.26 -4.99 121.76 122.44 1t21 s ALA 15 Ca 0.76 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.88 1t21 s ALA 15 Cb -0.92 -3.58 0.06 0.00 0.00 0.00 0.00 23.12 18.68 1t21 s ALA 15 CO 0.52 -0.71 0.15 -1.21 0.00 0.00 0.00 175.76 174.51 1t21 s GLU 16 N 1.27 0.07 0.29 0.00 0.41 -1.26 -5.11 118.70 114.36 1t21 s GLU 16 Ca 0.67 0.30 -0.29 0.00 -0.41 0.00 0.00 54.97 55.23 1t21 s GLU 16 Cb -0.39 -0.92 -0.13 0.00 -1.78 0.00 0.00 34.13 30.91 1t21 s GLU 16 CO 0.30 -0.49 1.23 0.09 -0.49 0.00 0.00 175.26 175.91 1t21 n ASN 17 N 5.31 2.26 0.00 -0.19 3.02 -1.26 -0.72 115.26 123.68 1t21 n ASN 17 Ca -0.05 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.68 1t21 n ASN 17 Cb 0.50 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1t21 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t21 n GLY 18 N 1.34 2.45 3.57 7.41 0.00 -0.36 -4.99 105.19 114.61 1t21 n GLY 18 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1t21 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t21 s LYS 19 N -0.01 3.91 0.30 1.61 -0.14 0.10 -4.99 119.74 120.52 1t21 s LYS 19 Ca 0.00 -0.34 -0.27 0.00 -1.36 0.00 0.00 55.97 53.99 1t21 s LYS 19 Cb 0.00 -3.58 -0.14 0.00 -1.68 0.00 0.00 37.83 32.43 1t21 s LYS 19 CO 0.00 -0.14 0.94 0.45 -0.76 0.00 0.00 175.35 175.84 1t21 n SER 20 N 4.91 0.94 -0.60 2.83 2.88 -1.26 -4.38 113.62 118.93 1t21 n SER 20 Ca -0.15 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1t21 n SER 20 Cb 0.52 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1t21 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1t21 n ASN 21 N 1.23 0.00 -3.90 -3.46 2.85 0.65 -5.00 115.26 107.63 1t21 n ASN 21 Ca 0.10 -0.60 -0.18 0.00 -0.11 0.00 0.00 54.58 53.79 1t21 n ASN 21 Cb 0.32 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.19 1t21 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1t21 s PHE 22 N -5.16 0.57 -0.22 1.20 0.40 -1.26 -1.43 117.98 112.08 1t21 s PHE 22 Ca 0.00 -0.12 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 1t21 s PHE 22 Cb 0.00 -0.49 -0.04 0.00 0.51 0.00 0.00 43.02 43.00 1t21 s PHE 22 CO 0.00 -0.11 0.11 -1.17 0.70 0.00 0.00 175.22 174.75 1t21 s LEU 23 N 0.57 3.88 0.06 -0.37 2.96 0.20 -1.12 118.68 124.85 1t21 s LEU 23 Ca -0.07 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1t21 s LEU 23 Cb -0.10 -2.02 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1t21 s LEU 23 CO -0.00 0.08 -0.11 0.20 -1.32 0.00 0.00 176.35 175.20 1t21 s ASN 24 N 0.93 4.31 -0.21 3.68 0.01 0.21 -1.40 114.94 122.47 1t21 s ASN 24 Ca 0.06 -0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1t21 s ASN 24 Cb -0.13 -0.85 0.06 0.00 0.41 0.00 0.00 41.25 40.74 1t21 s ASN 24 CO 0.03 0.23 0.02 0.00 -1.51 0.00 0.00 177.10 175.87 1t21 s TYR 26 N 1.75 3.17 -0.13 0.00 5.04 0.59 -1.09 117.35 126.67 1t21 s TYR 26 Ca -0.01 -0.35 -0.00 0.00 -2.44 0.00 0.00 57.07 54.26 1t21 s TYR 26 Cb -0.17 -2.35 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 1t21 s TYR 26 CO -0.09 -0.36 -0.12 0.14 -1.34 0.00 0.00 175.55 173.78 1t21 s VAL 27 N 1.66 3.09 0.26 3.14 -7.23 -0.53 -1.39 120.40 119.41 1t21 s VAL 27 Ca 0.06 -0.64 -0.06 0.00 -1.81 0.00 0.00 61.98 59.52 1t21 s VAL 27 Cb -0.16 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.46 1t21 s VAL 27 CO 0.07 0.52 0.37 -0.94 -0.31 0.00 0.00 175.10 174.81 1t21 s SER 28 N 0.38 0.32 -1.19 4.85 1.04 -0.89 -0.60 113.70 117.61 1t21 s SER 28 Ca -0.10 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.08 1t21 s SER 28 Cb -0.16 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1t21 s SER 28 CO 0.05 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.79 1t21 n GLY 29 N -0.41 1.22 3.86 7.32 0.00 -0.65 -0.38 105.19 116.15 1t21 n GLY 29 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 46.02 45.45 1t21 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1t21 s PHE 30 N -2.33 3.00 -0.28 1.61 -0.71 -1.20 -4.30 117.98 113.77 1t21 s PHE 30 Ca 0.00 -0.23 -0.20 0.00 -1.04 0.00 0.00 56.93 55.46 1t21 s PHE 30 Cb 0.00 -1.68 0.11 0.00 -1.21 0.00 0.00 43.02 40.25 1t21 s PHE 30 CO 0.00 0.29 0.89 -1.58 -1.34 0.00 0.00 175.22 173.48 1t21 s HIS 31 N -2.23 -0.68 1.19 3.49 2.46 -0.59 -0.68 115.29 118.25 1t21 s HIS 31 Ca 0.38 1.48 -0.19 0.00 0.47 0.00 0.00 55.06 57.20 1t21 s HIS 31 Cb -0.07 0.40 0.29 0.00 -0.13 0.00 0.00 32.58 33.07 1t21 s HIS 31 CO 0.26 -0.33 1.14 -1.25 -2.47 0.00 0.00 174.74 172.09 1t21 s PRO 32 N 0.91 -1.17 0.45 2.88 0.04 -1.26 -0.33 135.00 136.51 1t21 s PRO 32 Ca -0.04 -0.16 0.25 0.00 0.04 0.00 0.00 61.00 61.09 1t21 s PRO 32 Cb -0.05 -1.61 0.87 0.00 0.04 0.00 0.00 34.50 33.75 1t21 s PRO 32 CO -0.11 -3.66 1.80 0.66 0.04 0.00 0.00 177.00 175.73 1t21 h SER 33 N -2.54 0.00 -2.68 6.66 4.64 -1.99 -3.44 113.55 114.19 1t21 h SER 33 Ca -0.44 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.35 1t21 h SER 33 Cb 1.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.40 1t21 h SER 33 CO 0.32 0.18 1.00 -1.81 -0.87 0.00 0.00 176.83 175.65 1t21 s ASP 34 N -6.11 6.59 0.05 4.97 1.01 -1.26 -4.95 116.67 116.97 1t21 s ASP 34 Ca 0.02 2.51 -0.22 0.00 0.71 0.00 0.00 52.55 55.57 1t21 s ASP 34 Cb 0.09 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.51 1t21 s ASP 34 CO 0.63 -0.89 0.51 -0.51 0.21 0.00 0.00 175.17 175.12 1t21 s ILE 35 N 2.56 0.03 -0.16 0.77 2.07 -1.26 -4.66 121.20 120.56 1t21 s ILE 35 Ca 0.74 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.73 1t21 s ILE 35 Cb -0.40 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.22 1t21 s ILE 35 CO 0.32 -0.15 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.30 1t21 s GLU 36 N -2.53 3.02 -0.08 3.50 2.12 -0.61 -5.00 118.70 119.12 1t21 s GLU 36 Ca -0.05 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.45 1t21 s GLU 36 Cb -0.01 -2.52 0.02 0.00 0.26 0.00 0.00 34.13 31.88 1t21 s GLU 36 CO -0.02 -0.11 -0.06 0.08 -0.54 0.00 0.00 175.26 174.60 1t21 s VAL 37 N 1.06 0.78 0.01 3.70 1.01 -1.26 -0.93 120.40 124.77 1t21 s VAL 37 Ca -0.01 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1t21 s VAL 37 Cb -0.14 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 1t21 s VAL 37 CO -0.07 0.31 -0.17 -1.81 0.00 0.00 0.00 175.10 173.35 1t21 s ASP 38 N 1.37 2.05 -0.11 3.32 1.01 0.19 -4.97 116.67 119.53 1t21 s ASP 38 Ca -0.03 -0.39 -0.09 0.00 0.71 0.00 0.00 52.55 52.75 1t21 s ASP 38 Cb -0.14 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1t21 s ASP 38 CO -0.03 0.16 0.19 -0.76 0.21 0.00 0.00 175.17 174.93 1t21 s LEU 39 N -0.75 4.39 0.14 1.23 1.43 -1.26 0.07 118.68 123.93 1t21 s LEU 39 Ca 0.06 0.54 0.10 0.00 -1.03 0.00 0.00 54.13 53.80 1t21 s LEU 39 Cb -0.07 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1t21 s LEU 39 CO 0.00 0.38 -0.21 -0.76 0.23 0.00 0.00 176.35 175.99 1t21 s LEU 40 N -0.93 2.56 -0.18 1.79 1.43 0.13 -1.21 118.68 122.27 1t21 s LEU 40 Ca 0.16 -0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1t21 s LEU 40 Cb -0.13 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 44.76 1t21 s LEU 40 CO 0.05 0.16 -0.04 -0.75 0.23 0.00 0.00 176.35 176.00 1t21 s LYS 41 N -2.30 1.36 -1.33 1.70 2.20 0.14 -2.28 119.74 119.23 1t21 s LYS 41 Ca 0.18 -0.59 -0.04 0.00 -0.36 0.00 0.00 55.97 55.17 1t21 s LYS 41 Cb -0.10 -2.12 -0.00 0.00 -1.51 0.00 0.00 37.83 34.10 1t21 s LYS 41 CO 0.09 -0.49 0.57 0.09 -0.36 0.00 0.00 175.35 175.25 1t21 n ASN 42 N 4.86 -1.46 0.00 1.43 3.02 0.55 -1.24 115.26 122.42 1t21 n ASN 42 Ca -0.11 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1t21 n ASN 42 Cb 0.47 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.20 1t21 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t21 n GLY 43 N -1.80 2.39 3.88 7.41 0.00 -1.26 -4.99 105.19 110.81 1t21 n GLY 43 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1t21 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t21 s GLU 44 N 0.00 3.45 0.21 1.61 2.12 -0.37 -5.00 118.70 120.72 1t21 s GLU 44 Ca 0.00 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 1t21 s GLU 44 Cb 0.00 -3.17 -0.09 0.00 0.26 0.00 0.00 34.13 31.13 1t21 s GLU 44 CO 0.00 0.75 1.39 0.50 -0.54 0.00 0.00 175.26 177.36 1t21 s ARG 45 N -1.24 4.32 -0.11 4.30 3.52 -1.26 0.24 118.95 128.71 1t21 s ARG 45 Ca 0.18 2.18 -0.20 0.00 -0.13 0.00 0.00 55.73 57.76 1t21 s ARG 45 Cb -0.12 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1t21 s ARG 45 CO 0.07 -0.37 0.55 0.42 -0.81 0.00 0.00 175.30 175.17 1t21 s ILE 46 N 0.22 5.14 0.00 4.11 1.01 -0.35 -4.88 121.20 126.45 1t21 s ILE 46 Ca 0.59 1.10 -0.18 0.00 0.00 0.00 0.00 60.65 62.16 1t21 s ILE 46 Cb -0.39 -3.89 -0.31 0.00 0.01 0.00 0.00 42.46 37.88 1t21 s ILE 46 CO 0.39 0.29 1.00 -0.33 0.00 0.00 0.00 174.94 176.29 1t21 h GLU 47 N 6.81 0.46 -3.12 2.79 4.39 -1.95 -3.38 114.58 120.58 1t21 h GLU 47 Ca -0.40 -0.70 -0.60 0.00 0.34 0.00 0.00 59.36 58.00 1t21 h GLU 47 Cb 1.18 0.25 0.03 0.00 -0.10 0.00 0.00 28.75 30.10 1t21 h GLU 47 CO 0.76 1.32 3.56 1.63 -1.16 0.00 0.00 179.01 185.11 1t21 n LYS 48 N -3.95 3.31 -4.70 2.33 4.76 -1.26 -4.89 118.16 113.77 1t21 n LYS 48 Ca -0.14 -2.03 -0.33 0.00 -2.87 0.00 0.00 58.31 52.93 1t21 n LYS 48 Cb 0.92 -2.73 -0.13 0.00 -1.84 0.00 0.00 35.03 31.26 1t21 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t21 s VAL 49 N 2.48 3.37 0.41 -0.18 1.01 -1.26 -4.64 120.40 121.59 1t21 s VAL 49 Ca 0.63 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1t21 s VAL 49 Cb 0.16 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 1t21 s VAL 49 CO -0.05 0.56 0.01 -1.61 0.00 0.00 0.00 175.10 174.00 1t21 s GLU 50 N -0.22 1.95 0.06 2.72 2.02 -0.82 -4.96 118.70 119.44 1t21 s GLU 50 Ca 0.02 -2.11 -0.08 0.00 0.02 0.00 0.00 54.97 52.82 1t21 s GLU 50 Cb -0.13 -1.58 -0.00 0.00 0.10 0.00 0.00 34.13 32.52 1t21 s GLU 50 CO 0.03 -0.08 0.16 -3.38 0.02 0.00 0.00 175.26 172.01 1t21 s HIS 51 N -2.76 0.14 0.92 1.61 -3.43 -1.26 -1.16 115.29 109.35 1t21 s HIS 51 Ca 0.34 -0.47 -0.12 0.00 -0.80 0.00 0.00 55.06 54.01 1t21 s HIS 51 Cb 0.09 -0.08 0.14 0.00 -1.43 0.00 0.00 32.58 31.30 1t21 s HIS 51 CO 0.17 -0.45 1.10 -1.54 -2.00 0.00 0.00 174.74 172.02 1t21 s SER 52 N -2.39 3.34 0.19 7.38 1.04 -0.20 -4.98 113.70 118.07 1t21 s SER 52 Ca -0.01 1.27 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 1t21 s SER 52 Cb 0.01 -1.94 -0.08 0.00 0.10 0.00 0.00 66.02 64.12 1t21 s SER 52 CO -0.07 -2.69 1.05 -1.81 0.98 0.00 0.00 173.24 170.69 1t21 s ASP 53 N -3.61 7.38 -0.11 7.02 1.01 -1.26 -4.73 116.67 122.37 1t21 s ASP 53 Ca 0.64 2.03 -0.38 0.00 0.71 0.00 0.00 52.55 55.54 1t21 s ASP 53 Cb -0.17 -2.60 -0.16 0.00 1.01 0.00 0.00 42.92 40.99 1t21 s ASP 53 CO 0.56 -0.12 1.57 -0.11 0.21 0.00 0.00 175.17 177.28 1t21 n LEU 54 N 2.17 2.09 -4.23 1.23 7.94 -1.26 -4.96 117.00 119.99 1t21 n LEU 54 Ca 0.01 1.09 -0.15 0.00 -1.11 0.00 0.00 56.01 55.85 1t21 n LEU 54 Cb 0.47 -1.17 -0.09 0.00 0.53 0.00 0.00 43.42 43.16 1t21 n LEU 54 CO 0.53 -0.69 -0.15 -0.55 -1.11 0.00 0.00 177.39 175.41 1t21 s SER 55 N 2.17 0.88 0.11 1.96 0.15 -1.23 -5.04 113.70 112.69 1t21 s SER 55 Ca 0.92 -1.55 -0.09 0.00 0.70 0.00 0.00 55.95 55.93 1t21 s SER 55 Cb -1.01 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1t21 s SER 55 CO 0.57 -0.97 0.22 0.72 1.20 0.00 0.00 173.24 174.97 1t21 s PHE 56 N -3.77 0.22 0.75 3.44 -0.12 -1.26 -1.51 117.98 115.72 1t21 s PHE 56 Ca 0.39 -0.63 -0.03 0.00 -0.05 0.00 0.00 56.93 56.61 1t21 s PHE 56 Cb 0.04 -0.06 0.13 0.00 -0.63 0.00 0.00 43.02 42.51 1t21 s PHE 56 CO 0.19 -0.59 1.03 -1.12 -0.05 0.00 0.00 175.22 174.68 1t21 s SER 57 N -2.89 4.23 0.31 1.98 0.01 0.37 -4.91 113.70 112.80 1t21 s SER 57 Ca 0.08 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.19 1t21 s SER 57 Cb 0.04 -0.13 0.79 0.00 0.21 0.00 0.00 66.02 66.93 1t21 s SER 57 CO -0.08 -1.95 1.77 0.50 0.41 0.00 0.00 173.24 173.89 1t21 h LYS 58 N -0.67 0.68 -0.07 12.44 1.63 -2.03 0.31 116.57 128.87 1t21 h LYS 58 Ca -0.38 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1t21 h LYS 58 Cb 1.27 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1t21 h LYS 58 CO 0.41 0.45 0.00 -0.40 -3.45 0.00 0.00 179.45 176.46 1t21 n ASP 59 N -4.79 0.38 0.00 4.20 5.75 -1.26 -4.90 116.55 115.94 1t21 n ASP 59 Ca 0.24 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1t21 n ASP 59 Cb 0.63 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 1t21 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1t21 n TRP 60 N -0.32 0.00 -2.35 2.11 7.02 0.11 -5.02 117.44 118.98 1t21 n TRP 60 Ca 0.04 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.15 1t21 n TRP 60 Cb 0.07 -0.10 -0.02 0.00 -2.42 0.00 0.00 31.31 28.84 1t21 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1t21 s SER 61 N -3.59 6.50 0.48 -0.99 1.04 -1.26 -4.63 113.70 111.24 1t21 s SER 61 Ca 0.00 2.25 -0.10 0.00 0.48 0.00 0.00 55.95 58.58 1t21 s SER 61 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 1t21 s SER 61 CO 0.00 -0.69 0.85 -0.36 0.98 0.00 0.00 173.24 174.03 1t21 s PHE 62 N -1.51 3.52 -0.01 5.02 0.08 0.15 -0.48 117.98 124.75 1t21 s PHE 62 Ca 0.59 1.08 -0.03 0.00 0.12 0.00 0.00 56.93 58.69 1t21 s PHE 62 Cb -0.28 -2.50 -0.00 0.00 -0.57 0.00 0.00 43.02 39.67 1t21 s PHE 62 CO 0.34 -0.30 0.06 1.52 -0.10 0.00 0.00 175.22 176.75 1t21 s TYR 63 N -2.66 0.03 -0.08 0.36 1.13 -0.57 -1.64 117.35 113.93 1t21 s TYR 63 Ca 0.52 -0.05 -0.07 0.00 -1.41 0.00 0.00 57.07 56.05 1t21 s TYR 63 Cb -0.10 -0.04 0.02 0.00 -1.10 0.00 0.00 41.96 40.73 1t21 s TYR 63 CO 0.39 -0.12 0.21 -0.51 -2.51 0.00 0.00 175.55 173.01 1t21 s LEU 64 N -0.62 1.19 -0.24 -3.49 1.43 0.23 -3.52 118.68 113.66 1t21 s LEU 64 Ca -0.07 0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1t21 s LEU 64 Cb -0.04 0.73 -0.01 0.00 0.03 0.00 0.00 46.19 46.90 1t21 s LEU 64 CO 0.00 -0.08 0.01 -0.22 0.23 0.00 0.00 176.35 176.29 1t21 s LEU 65 N 0.06 3.22 -0.12 1.79 2.96 -1.26 -1.45 118.68 123.87 1t21 s LEU 65 Ca -0.00 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 1t21 s LEU 65 Cb -0.02 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1t21 s LEU 65 CO 0.00 -0.05 0.06 -0.31 -1.32 0.00 0.00 176.35 174.73 1t21 s TYR 66 N 1.52 3.32 0.08 5.38 1.51 -0.25 -1.03 117.35 127.87 1t21 s TYR 66 Ca 0.05 0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 56.25 1t21 s TYR 66 Cb -0.15 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1t21 s TYR 66 CO -0.00 0.47 0.30 1.52 -1.11 0.00 0.00 175.55 176.73 1t21 s TYR 67 N -0.62 -0.06 -0.05 2.71 1.13 -0.31 -0.68 117.35 119.48 1t21 s TYR 67 Ca 0.11 -0.20 -0.17 0.00 -1.41 0.00 0.00 57.07 55.41 1t21 s TYR 67 Cb -0.12 0.09 0.03 0.00 -1.10 0.00 0.00 41.96 40.87 1t21 s TYR 67 CO 0.02 -0.56 0.37 -0.08 -2.51 0.00 0.00 175.55 172.79 1t21 s THR 68 N -3.22 0.04 0.09 -3.49 -1.32 -0.49 -1.94 115.64 105.31 1t21 s THR 68 Ca -0.00 -0.32 -0.30 0.00 -1.21 0.00 0.00 61.69 59.86 1t21 s THR 68 Cb 0.01 -0.65 -0.06 0.00 -1.51 0.00 0.00 72.50 70.29 1t21 s THR 68 CO -0.08 -0.17 1.12 -0.70 -2.21 0.00 0.00 174.62 172.58 1t21 s GLU 69 N -0.99 4.52 0.22 7.08 2.12 -1.26 0.58 118.70 130.96 1t21 s GLU 69 Ca -0.10 1.68 -0.13 0.00 0.36 0.00 0.00 54.97 56.77 1t21 s GLU 69 Cb -0.04 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1t21 s GLU 69 CO 0.04 -0.09 0.44 -0.59 -0.54 0.00 0.00 175.26 174.53 1t21 s PHE 70 N 0.56 0.25 -0.30 5.30 -0.71 -0.51 -4.87 117.98 117.71 1t21 s PHE 70 Ca 0.54 -0.61 0.01 0.00 -1.04 0.00 0.00 56.93 55.82 1t21 s PHE 70 Cb -0.28 0.18 0.09 0.00 -1.21 0.00 0.00 43.02 41.81 1t21 s PHE 70 CO 0.31 -0.91 0.05 0.99 -1.34 0.00 0.00 175.22 174.32 1t21 s THR 71 N -3.97 1.34 0.57 -4.49 2.01 -1.26 -0.25 115.64 109.59 1t21 s THR 71 Ca 0.18 -1.56 -0.20 0.00 0.31 0.00 0.00 61.69 60.42 1t21 s THR 71 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1t21 s THR 71 CO 0.04 -0.52 1.27 -2.16 -0.69 0.00 0.00 174.62 172.55 1t21 s PRO 72 N 1.40 3.03 0.32 4.92 0.04 -1.26 -4.77 135.00 138.67 1t21 s PRO 72 Ca 0.07 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.15 1t21 s PRO 72 Cb -0.18 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1t21 s PRO 72 CO -0.16 -1.21 0.18 0.25 0.04 0.00 0.00 177.00 176.10 1t21 n THR 73 N -1.36 0.00 0.08 1.26 -2.24 -1.26 -1.22 114.28 109.54 1t21 n THR 73 Ca 0.12 -2.04 -0.10 0.00 -2.27 0.00 0.00 64.05 59.76 1t21 n THR 73 Cb 0.48 0.86 -0.12 0.00 -2.10 0.00 0.00 70.33 69.45 1t21 n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1t21 h GLU 74 N 0.00 0.09 0.00 -0.78 4.81 -1.99 -3.39 114.58 113.33 1t21 h GLU 74 Ca -0.24 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 58.67 1t21 h GLU 74 Cb 1.03 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 1t21 h GLU 74 CO 0.37 1.07 -0.96 1.57 -0.73 0.00 0.00 179.01 180.33 1t21 h LYS 75 N 0.03 0.00 -6.36 1.92 2.10 -2.02 -3.47 116.57 108.77 1t21 h LYS 75 Ca -0.05 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.95 1t21 h LYS 75 Cb 1.83 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 33.23 1t21 h LYS 75 CO 0.15 0.81 0.41 -0.25 -2.00 0.00 0.00 179.45 178.57 1t21 n ASP 76 N -4.49 1.75 -4.60 7.07 8.00 -1.26 -4.98 116.55 118.03 1t21 n ASP 76 Ca -0.25 1.13 -0.34 0.00 0.71 0.00 0.00 54.79 56.05 1t21 n ASP 76 Cb 0.57 -1.25 -0.11 0.00 -0.02 0.00 0.00 41.12 40.31 1t21 n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1t21 s GLU 77 N -0.01 2.74 0.10 -1.24 0.41 -1.26 -4.68 118.70 114.75 1t21 s GLU 77 Ca 0.77 -0.57 0.07 0.00 -0.41 0.00 0.00 54.97 54.83 1t21 s GLU 77 Cb -0.85 -2.60 -0.03 0.00 -1.78 0.00 0.00 34.13 28.87 1t21 s GLU 77 CO 0.49 0.66 -0.19 0.71 -0.49 0.00 0.00 175.26 176.44 1t21 s TYR 78 N -0.86 1.64 0.23 1.61 2.02 -1.26 -0.33 117.35 120.39 1t21 s TYR 78 Ca 0.14 -0.43 -0.21 0.00 -0.37 0.00 0.00 57.07 56.20 1t21 s TYR 78 Cb -0.11 -0.90 0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1t21 s TYR 78 CO 0.03 0.17 0.64 0.00 -1.57 0.00 0.00 175.55 174.82 1t21 s ALA 79 N -1.22 -1.24 -0.10 3.71 0.00 -0.96 0.12 121.76 122.07 1t21 s ALA 79 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1t21 s ALA 79 Cb -0.10 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1t21 s ALA 79 CO 0.04 -0.91 -0.19 0.00 0.00 0.00 0.00 175.76 174.70 1t21 s ARG 81 N 0.16 3.46 -0.06 0.00 3.52 0.11 -1.18 118.95 124.97 1t21 s ARG 81 Ca -0.11 -0.61 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 1t21 s ARG 81 Cb -0.16 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 1t21 s ARG 81 CO 0.06 0.06 -0.16 0.08 -0.81 0.00 0.00 175.30 174.53 1t21 s VAL 82 N 0.81 1.39 -0.03 7.11 1.01 0.70 -0.64 120.40 130.76 1t21 s VAL 82 Ca -0.02 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1t21 s VAL 82 Cb -0.15 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 1t21 s VAL 82 CO 0.01 0.41 -0.15 0.21 0.00 0.00 0.00 175.10 175.58 1t21 s ASN 83 N 0.32 1.85 0.10 3.32 2.47 -0.11 0.25 114.94 123.15 1t21 s ASN 83 Ca -0.10 -0.30 -0.12 0.00 0.42 0.00 0.00 52.86 52.76 1t21 s ASN 83 Cb -0.14 -0.42 0.02 0.00 -1.45 0.00 0.00 41.25 39.26 1t21 s ASN 83 CO 0.04 0.15 0.30 -2.28 -3.72 0.00 0.00 177.10 171.58 1t21 s HIS 84 N -0.05 -0.03 0.38 0.43 5.65 -1.26 -1.58 115.29 118.83 1t21 s HIS 84 Ca -0.01 -0.33 0.10 0.00 0.25 0.00 0.00 55.06 55.07 1t21 s HIS 84 Cb -0.09 0.10 0.86 0.00 -1.18 0.00 0.00 32.58 32.27 1t21 s HIS 84 CO 0.01 -0.62 1.93 -0.24 -0.65 0.00 0.00 174.74 175.17 1t21 h VAL 85 N 2.58 0.90 0.00 0.89 3.04 -1.95 -0.12 116.25 121.60 1t21 h VAL 85 Ca -0.34 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1t21 h VAL 85 Cb 1.23 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1t21 h VAL 85 CO 0.51 0.11 0.00 0.35 -1.01 0.00 0.00 177.57 177.54 1t21 n THR 86 N -4.50 0.76 -3.76 3.17 -2.24 -1.26 -4.74 114.28 101.71 1t21 n THR 86 Ca 0.13 0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.73 1t21 n THR 86 Cb 0.38 -0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 67.62 1t21 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1t21 s LEU 87 N -3.22 4.03 0.30 3.22 1.43 -0.06 -4.98 118.68 119.40 1t21 s LEU 87 Ca 0.08 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1t21 s LEU 87 Cb 0.12 -2.06 0.46 0.00 0.03 0.00 0.00 46.19 44.73 1t21 s LEU 87 CO 0.35 0.11 1.89 0.28 0.23 0.00 0.00 176.35 179.21 1t21 h SER 88 N 7.19 0.79 -5.10 2.29 0.02 -1.85 -3.44 113.55 113.46 1t21 h SER 88 Ca -0.38 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.35 1t21 h SER 88 Cb 1.17 -0.20 -0.17 0.00 0.14 0.00 0.00 62.40 63.33 1t21 h SER 88 CO 0.69 0.70 -0.52 0.00 -1.14 0.00 0.00 176.83 176.55 1t21 s GLN 89 N -5.44 0.61 0.20 3.45 -2.07 -1.26 -5.13 119.66 110.02 1t21 s GLN 89 Ca -0.10 -0.78 -0.32 0.00 -1.82 0.00 0.00 55.36 52.33 1t21 s GLN 89 Cb 0.16 0.24 -0.14 0.00 -1.09 0.00 0.00 33.01 32.18 1t21 s GLN 89 CO 0.79 -0.15 1.35 -2.30 -1.32 0.00 0.00 175.29 173.65 1t21 n PRO 90 N 0.69 1.73 -3.60 9.60 -0.02 -1.26 -4.92 135.00 137.21 1t21 n PRO 90 Ca -0.18 0.62 -0.35 0.00 -2.02 0.00 0.00 63.50 61.56 1t21 n PRO 90 Cb 0.59 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1t21 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1t21 s LYS 91 N -0.20 3.74 -0.08 -0.52 2.20 0.14 -4.89 119.74 120.12 1t21 s LYS 91 Ca 0.72 0.15 0.01 0.00 -0.36 0.00 0.00 55.97 56.48 1t21 s LYS 91 Cb -0.73 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1t21 s LYS 91 CO 0.49 0.59 -0.08 0.42 -0.36 0.00 0.00 175.35 176.41 1t21 s ILE 92 N -1.34 0.95 -0.22 5.43 1.01 -1.26 -0.22 121.20 125.54 1t21 s ILE 92 Ca 0.31 -0.30 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 1t21 s ILE 92 Cb -0.14 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.42 1t21 s ILE 92 CO 0.17 0.34 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1t21 s VAL 93 N 1.27 2.56 0.40 2.92 1.01 -0.32 -4.96 120.40 123.27 1t21 s VAL 93 Ca -0.04 -1.01 -0.24 0.00 0.00 0.00 0.00 61.98 60.69 1t21 s VAL 93 Cb -0.14 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 33.91 1t21 s VAL 93 CO -0.03 0.32 1.02 -1.59 0.00 0.00 0.00 175.10 174.82 1t21 s LYS 94 N 1.30 4.22 0.07 2.72 -2.85 -1.26 -0.76 119.74 123.18 1t21 s LYS 94 Ca 0.01 1.43 -0.30 0.00 -1.00 0.00 0.00 55.97 56.11 1t21 s LYS 94 Cb -0.15 -2.52 -0.05 0.00 -2.06 0.00 0.00 37.83 33.05 1t21 s LYS 94 CO -0.07 -0.08 1.12 -0.46 0.10 0.00 0.00 175.35 175.95 1t21 s TRP 95 N -1.73 3.54 -0.17 1.78 -0.00 0.12 -4.89 118.94 117.58 1t21 s TRP 95 Ca 0.58 1.48 0.01 0.00 -0.00 0.00 0.00 56.10 58.16 1t21 s TRP 95 Cb -0.20 -3.30 0.02 0.00 -0.00 0.00 0.00 33.47 29.99 1t21 s TRP 95 CO 0.25 -0.78 -0.18 0.34 -0.00 0.00 0.00 176.95 176.58 1t21 s ASP 96 N 0.75 2.99 0.53 5.86 -1.08 -1.26 -4.77 116.67 119.70 1t21 s ASP 96 Ca 0.55 -0.60 0.25 0.00 -0.52 0.00 0.00 52.55 52.23 1t21 s ASP 96 Cb -0.27 -1.38 1.40 0.00 -1.46 0.00 0.00 42.92 41.21 1t21 s ASP 96 CO 0.30 -0.02 2.00 0.03 0.52 0.00 0.00 175.17 178.00 1t21 h ARG 97 N 7.98 0.00 -0.65 4.34 3.08 -1.95 -1.70 114.38 125.48 1t21 h ARG 97 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1t21 h ARG 97 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1t21 h ARG 97 CO 0.60 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 179.25 1t21 n ASP 98 N -4.38 3.33 0.00 7.04 8.00 -1.26 -4.75 116.55 124.53 1t21 n ASP 98 Ca 0.10 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.23 1t21 n ASP 98 Cb 0.60 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1t21 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04