#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t20 s GLN 2 N 0.00 1.50 -0.03 6.28 -0.21 -1.26 -4.52 119.66 121.42 1t20 s GLN 2 Ca 0.00 -1.32 -0.01 0.00 0.02 0.00 0.00 55.36 54.05 1t20 s GLN 2 Cb 0.00 -1.95 0.03 0.00 1.00 0.00 0.00 33.01 32.09 1t20 s GLN 2 CO 0.00 0.45 0.06 1.03 -2.12 0.00 0.00 175.29 174.71 1t20 s ARG 3 N -2.12 0.00 0.30 2.91 0.52 0.84 -4.90 118.95 116.50 1t20 s ARG 3 Ca 0.15 0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 55.31 1t20 s ARG 3 Cb -0.10 -0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.07 1t20 s ARG 3 CO 0.07 -0.15 0.99 -0.08 0.02 0.00 0.00 175.30 176.15 1t20 s THR 4 N 1.01 3.93 0.26 0.02 -1.32 -1.26 -1.69 115.64 116.60 1t20 s THR 4 Ca -0.08 1.76 -0.30 0.00 -1.21 0.00 0.00 61.69 61.86 1t20 s THR 4 Cb -0.12 -4.05 -0.09 0.00 -1.51 0.00 0.00 72.50 66.73 1t20 s THR 4 CO -0.04 0.28 1.05 -2.16 -2.21 0.00 0.00 174.62 171.55 1t20 s PRO 5 N -1.71 4.70 0.25 7.08 0.04 -1.26 -4.36 135.00 139.74 1t20 s PRO 5 Ca 0.47 1.71 -0.10 0.00 0.04 0.00 0.00 61.00 63.12 1t20 s PRO 5 Cb -0.24 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.00 1t20 s PRO 5 CO 0.31 0.30 0.59 0.15 0.04 0.00 0.00 177.00 178.38 1t20 s LYS 6 N -1.33 3.83 -0.04 4.56 1.02 -0.13 -4.91 119.74 122.75 1t20 s LYS 6 Ca 0.44 0.34 0.01 0.00 0.02 0.00 0.00 55.97 56.77 1t20 s LYS 6 Cb -0.30 -2.60 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 1t20 s LYS 6 CO 0.38 0.28 -0.04 0.42 -0.92 0.00 0.00 175.35 175.47 1t20 s ILE 7 N -1.87 0.46 -0.05 2.17 1.01 -1.26 -2.12 121.20 119.54 1t20 s ILE 7 Ca 0.49 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 61.06 1t20 s ILE 7 Cb -0.11 -0.49 0.02 0.00 0.01 0.00 0.00 42.46 41.89 1t20 s ILE 7 CO 0.21 0.20 -0.08 -1.10 0.00 0.00 0.00 174.94 174.17 1t20 s GLN 8 N 0.82 1.20 -0.11 2.79 -0.21 -0.64 -4.99 119.66 118.52 1t20 s GLN 8 Ca -0.10 -0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.05 1t20 s GLN 8 Cb -0.13 -1.07 -0.01 0.00 1.00 0.00 0.00 33.01 32.79 1t20 s GLN 8 CO -0.00 -0.02 -0.18 0.08 -2.12 0.00 0.00 175.29 173.05 1t20 s VAL 9 N 0.75 2.63 0.11 1.09 1.01 -1.26 -0.08 120.40 124.65 1t20 s VAL 9 Ca -0.13 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1t20 s VAL 9 Cb -0.15 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.24 1t20 s VAL 9 CO 0.02 0.54 0.96 -0.72 0.00 0.00 0.00 175.10 175.90 1t20 s TYR 10 N 0.29 -0.17 0.14 5.22 1.13 -0.58 -4.59 117.35 118.78 1t20 s TYR 10 Ca -0.13 -0.09 0.02 0.00 -1.41 0.00 0.00 57.07 55.45 1t20 s TYR 10 Cb -0.16 0.61 -0.04 0.00 -1.10 0.00 0.00 41.96 41.27 1t20 s TYR 10 CO 0.07 -0.74 0.28 -1.54 -2.51 0.00 0.00 175.55 171.11 1t20 s SER 11 N -2.85 6.35 0.21 -0.18 1.04 -1.26 0.35 113.70 117.36 1t20 s SER 11 Ca 0.11 0.22 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 1t20 s SER 11 Cb -0.01 -1.93 0.16 0.00 0.10 0.00 0.00 66.02 64.34 1t20 s SER 11 CO -0.00 0.06 1.66 -0.09 0.98 0.00 0.00 173.24 175.85 1t20 h ARG 12 N 2.30 0.92 -5.79 4.02 2.43 -1.53 -3.45 114.38 113.30 1t20 h ARG 12 Ca -0.48 -0.31 -0.55 0.00 -0.81 0.00 0.00 59.98 57.83 1t20 h ARG 12 Cb 1.19 -0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 30.52 1t20 h ARG 12 CO 0.70 0.96 -0.70 -1.01 -1.51 0.00 0.00 179.97 178.41 1t20 s HIS 13 N -4.89 2.13 -0.07 2.20 3.76 -1.26 -5.04 115.29 112.12 1t20 s HIS 13 Ca -0.10 -0.55 -0.37 0.00 -0.15 0.00 0.00 55.06 53.89 1t20 s HIS 13 Cb 0.14 -1.14 -0.14 0.00 1.11 0.00 0.00 32.58 32.55 1t20 s HIS 13 CO 0.84 0.47 1.67 -2.30 -0.85 0.00 0.00 174.74 174.58 1t20 n PRO 14 N -0.63 1.64 -1.79 8.40 -0.02 -1.26 -4.86 135.00 136.47 1t20 n PRO 14 Ca -0.06 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1t20 n PRO 14 Cb 0.62 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.74 1t20 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t20 s ALA 15 N 2.60 3.82 -0.12 3.55 0.00 -1.26 -5.01 121.76 125.34 1t20 s ALA 15 Ca 0.90 1.54 -0.05 0.00 0.00 0.00 0.00 51.96 54.36 1t20 s ALA 15 Cb -0.86 -3.66 0.06 0.00 0.00 0.00 0.00 23.12 18.66 1t20 s ALA 15 CO 0.53 -0.92 0.25 -1.21 0.00 0.00 0.00 175.76 174.41 1t20 s GLU 16 N 0.40 0.13 0.22 0.00 0.41 -1.26 -5.12 118.70 113.48 1t20 s GLU 16 Ca 0.69 0.73 -0.32 0.00 -0.41 0.00 0.00 54.97 55.65 1t20 s GLU 16 Cb -0.48 -0.06 -0.14 0.00 -1.78 0.00 0.00 34.13 31.67 1t20 s GLU 16 CO 0.39 -0.29 1.39 0.09 -0.49 0.00 0.00 175.26 176.36 1t20 n ASN 17 N 5.33 2.58 0.00 -0.19 3.02 -1.26 -1.42 115.26 123.32 1t20 n ASN 17 Ca -0.06 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.62 1t20 n ASN 17 Cb 0.50 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 1t20 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t20 n GLY 18 N 2.26 1.86 3.33 7.41 0.00 -0.58 -5.00 105.19 114.46 1t20 n GLY 18 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1t20 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t20 s LYS 19 N -0.29 3.40 0.37 1.61 1.02 -0.51 -5.01 119.74 120.33 1t20 s LYS 19 Ca 0.00 -0.62 -0.24 0.00 0.02 0.00 0.00 55.97 55.13 1t20 s LYS 19 Cb 0.00 -2.99 -0.13 0.00 -0.52 0.00 0.00 37.83 34.19 1t20 s LYS 19 CO 0.00 -0.15 0.72 0.45 -0.92 0.00 0.00 175.35 175.46 1t20 n SER 20 N 4.65 -0.08 -0.30 2.83 2.88 -1.26 -4.40 113.62 117.94 1t20 n SER 20 Ca -0.18 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1t20 n SER 20 Cb 0.51 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1t20 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1t20 n ASN 21 N 1.20 0.00 -3.89 -3.46 2.85 0.76 -4.98 115.26 107.74 1t20 n ASN 21 Ca 0.11 -0.30 -0.15 0.00 -0.11 0.00 0.00 54.58 54.13 1t20 n ASN 21 Cb 0.36 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.23 1t20 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1t20 s PHE 22 N -4.21 0.31 -0.21 1.20 0.40 -1.26 -1.88 117.98 112.32 1t20 s PHE 22 Ca 0.00 -0.04 -0.07 0.00 -0.60 0.00 0.00 56.93 56.22 1t20 s PHE 22 Cb 0.00 -0.27 -0.04 0.00 0.51 0.00 0.00 43.02 43.23 1t20 s PHE 22 CO 0.00 -0.05 0.07 -1.17 0.70 0.00 0.00 175.22 174.77 1t20 s LEU 23 N 0.29 3.64 0.02 -0.37 2.96 0.44 -1.17 118.68 124.49 1t20 s LEU 23 Ca -0.03 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1t20 s LEU 23 Cb -0.05 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1t20 s LEU 23 CO -0.01 0.08 -0.21 0.20 -1.32 0.00 0.00 176.35 175.09 1t20 s ASN 24 N 0.95 3.56 -0.22 3.68 0.01 0.15 -1.75 114.94 121.32 1t20 s ASN 24 Ca 0.04 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.75 1t20 s ASN 24 Cb -0.14 -0.52 0.06 0.00 0.41 0.00 0.00 41.25 41.06 1t20 s ASN 24 CO 0.03 0.28 -0.06 0.00 -1.51 0.00 0.00 177.10 175.84 1t20 s TYR 26 N 1.42 3.19 -0.13 0.00 5.04 0.88 -1.40 117.35 126.35 1t20 s TYR 26 Ca -0.05 -0.58 -0.02 0.00 -2.44 0.00 0.00 57.07 53.97 1t20 s TYR 26 Cb -0.18 -2.38 -0.03 0.00 0.35 0.00 0.00 41.96 39.72 1t20 s TYR 26 CO -0.07 -0.47 -0.05 0.14 -1.34 0.00 0.00 175.55 173.77 1t20 s VAL 27 N 1.62 3.84 0.30 3.14 -7.23 -0.71 -1.63 120.40 119.73 1t20 s VAL 27 Ca 0.04 -0.39 -0.06 0.00 -1.81 0.00 0.00 61.98 59.77 1t20 s VAL 27 Cb -0.17 -2.65 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 1t20 s VAL 27 CO 0.07 0.53 0.44 -0.94 -0.31 0.00 0.00 175.10 174.88 1t20 s SER 28 N 0.03 0.49 -1.76 4.85 1.04 -0.90 -1.19 113.70 116.26 1t20 s SER 28 Ca 0.00 -1.29 0.00 0.00 0.48 0.00 0.00 55.95 55.14 1t20 s SER 28 Cb -0.13 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1t20 s SER 28 CO 0.03 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1t20 n GLY 29 N -0.47 0.85 3.87 7.32 0.00 -0.26 -0.95 105.19 115.55 1t20 n GLY 29 Ca 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 1t20 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1t20 s PHE 30 N -2.77 2.77 -0.29 1.61 -0.71 -1.17 -4.36 117.98 113.07 1t20 s PHE 30 Ca 0.00 -0.43 -0.20 0.00 -1.04 0.00 0.00 56.93 55.26 1t20 s PHE 30 Cb 0.00 -2.04 0.16 0.00 -1.21 0.00 0.00 43.02 39.92 1t20 s PHE 30 CO 0.00 -0.02 1.11 -1.58 -1.34 0.00 0.00 175.22 173.39 1t20 s HIS 31 N -2.42 -0.39 1.14 3.49 2.46 -0.68 -1.55 115.29 117.35 1t20 s HIS 31 Ca 0.46 0.83 -0.19 0.00 0.47 0.00 0.00 55.06 56.63 1t20 s HIS 31 Cb -0.04 0.33 0.28 0.00 -0.13 0.00 0.00 32.58 33.02 1t20 s HIS 31 CO 0.27 -0.19 1.01 -0.35 -2.47 0.00 0.00 174.74 173.01 1t20 n PRO 32 N 2.85 -3.02 0.18 2.88 -0.04 -1.26 -0.11 135.00 136.48 1t20 n PRO 32 Ca -0.15 -1.61 0.06 0.00 -0.04 0.00 0.00 63.50 61.75 1t20 n PRO 32 Cb 0.57 -1.52 0.28 0.00 -0.04 0.00 0.00 33.50 32.79 1t20 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1t20 h SER 33 N -2.61 0.00 -2.54 3.54 4.64 -1.99 -3.45 113.55 111.14 1t20 h SER 33 Ca -0.38 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.41 1t20 h SER 33 Cb 1.16 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1t20 h SER 33 CO 0.25 0.38 1.11 -1.81 -0.87 0.00 0.00 176.83 175.89 1t20 s ASP 34 N -6.39 6.51 0.01 4.97 1.01 -1.26 -4.96 116.67 116.56 1t20 s ASP 34 Ca 0.01 2.60 -0.20 0.00 0.71 0.00 0.00 52.55 55.67 1t20 s ASP 34 Cb 0.10 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.52 1t20 s ASP 34 CO 0.69 -0.98 0.46 -0.51 0.21 0.00 0.00 175.17 175.04 1t20 s ILE 35 N 3.37 0.04 -0.16 0.77 -1.16 -1.26 -4.69 121.20 118.10 1t20 s ILE 35 Ca 0.80 -0.34 0.01 0.00 -0.51 0.00 0.00 60.65 60.61 1t20 s ILE 35 Cb -0.42 -0.87 0.01 0.00 0.61 0.00 0.00 42.46 41.78 1t20 s ILE 35 CO 0.36 -0.19 -0.18 -0.70 -2.81 0.00 0.00 174.94 171.43 1t20 s GLU 36 N -1.91 3.11 -0.07 3.50 2.12 -0.71 -5.01 118.70 119.73 1t20 s GLU 36 Ca -0.09 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.46 1t20 s GLU 36 Cb -0.02 -2.58 0.02 0.00 0.26 0.00 0.00 34.13 31.81 1t20 s GLU 36 CO 0.02 -0.07 -0.07 0.08 -0.54 0.00 0.00 175.26 174.68 1t20 s VAL 37 N 1.00 0.79 0.02 3.70 1.01 -1.26 -1.24 120.40 124.41 1t20 s VAL 37 Ca -0.02 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1t20 s VAL 37 Cb -0.15 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1t20 s VAL 37 CO -0.04 0.30 -0.11 -1.81 0.00 0.00 0.00 175.10 173.44 1t20 s ASP 38 N 1.21 1.28 -0.06 3.32 1.01 -0.15 -4.99 116.67 118.29 1t20 s ASP 38 Ca -0.06 -0.35 -0.05 0.00 0.71 0.00 0.00 52.55 52.81 1t20 s ASP 38 Cb -0.14 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.66 1t20 s ASP 38 CO -0.02 0.03 0.16 -0.76 0.21 0.00 0.00 175.17 174.79 1t20 s LEU 39 N -0.81 4.38 0.07 1.23 1.43 -1.26 0.23 118.68 123.95 1t20 s LEU 39 Ca 0.01 0.41 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 1t20 s LEU 39 Cb -0.06 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 1t20 s LEU 39 CO 0.00 0.33 -0.22 -0.76 0.23 0.00 0.00 176.35 175.94 1t20 s LEU 40 N -1.51 2.23 -0.22 1.79 1.43 0.13 -1.84 118.68 120.69 1t20 s LEU 40 Ca 0.21 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 1t20 s LEU 40 Cb -0.12 -1.00 0.05 0.00 0.03 0.00 0.00 46.19 45.15 1t20 s LEU 40 CO 0.12 0.14 -0.09 -0.75 0.23 0.00 0.00 176.35 176.00 1t20 s LYS 41 N -1.51 1.94 -1.42 1.70 2.20 0.57 -2.09 119.74 121.13 1t20 s LYS 41 Ca 0.08 -0.94 -0.06 0.00 -0.36 0.00 0.00 55.97 54.69 1t20 s LYS 41 Cb -0.09 -2.52 0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1t20 s LYS 41 CO 0.03 -0.49 0.76 0.09 -0.36 0.00 0.00 175.35 175.38 1t20 n ASN 42 N 4.65 -2.42 0.00 1.43 3.02 0.65 -1.28 115.26 121.31 1t20 n ASN 42 Ca -0.14 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1t20 n ASN 42 Cb 0.45 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 1t20 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t20 n GLY 43 N -1.67 2.83 3.79 7.41 0.00 -1.26 -5.01 105.19 111.28 1t20 n GLY 43 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1t20 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t20 s GLU 44 N -0.00 3.21 0.27 1.61 2.12 -0.41 -5.03 118.70 120.47 1t20 s GLU 44 Ca 0.00 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 1t20 s GLU 44 Cb 0.00 -2.99 -0.10 0.00 0.26 0.00 0.00 34.13 31.31 1t20 s GLU 44 CO 0.00 0.72 1.36 0.50 -0.54 0.00 0.00 175.26 177.30 1t20 s ARG 45 N -1.15 4.33 -0.07 4.30 3.52 -1.26 -0.31 118.95 128.31 1t20 s ARG 45 Ca 0.16 2.20 -0.16 0.00 -0.13 0.00 0.00 55.73 57.81 1t20 s ARG 45 Cb -0.12 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 1t20 s ARG 45 CO 0.06 -0.29 0.42 0.42 -0.81 0.00 0.00 175.30 175.10 1t20 s ILE 46 N -0.39 5.12 -0.03 4.11 1.01 -0.77 -4.89 121.20 125.36 1t20 s ILE 46 Ca 0.55 0.85 -0.14 0.00 0.00 0.00 0.00 60.65 61.90 1t20 s ILE 46 Cb -0.40 -3.74 -0.32 0.00 0.01 0.00 0.00 42.46 38.01 1t20 s ILE 46 CO 0.45 0.46 0.76 -0.33 0.00 0.00 0.00 174.94 176.29 1t20 h GLU 47 N 5.73 0.41 -2.81 2.79 4.39 -1.95 -3.40 114.58 119.75 1t20 h GLU 47 Ca -0.46 -0.70 -0.59 0.00 0.34 0.00 0.00 59.36 57.95 1t20 h GLU 47 Cb 1.20 0.26 0.01 0.00 -0.10 0.00 0.00 28.75 30.11 1t20 h GLU 47 CO 0.69 1.33 3.06 1.63 -1.16 0.00 0.00 179.01 184.56 1t20 n LYS 48 N -3.73 3.44 -4.62 2.33 4.76 -1.26 -4.90 118.16 114.18 1t20 n LYS 48 Ca -0.22 -2.05 -0.34 0.00 -2.87 0.00 0.00 58.31 52.84 1t20 n LYS 48 Cb 1.04 -2.65 -0.12 0.00 -1.84 0.00 0.00 35.03 31.46 1t20 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t20 s VAL 49 N 1.80 3.61 0.40 -0.18 1.01 -1.26 -4.60 120.40 121.18 1t20 s VAL 49 Ca 0.69 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 62.22 1t20 s VAL 49 Cb 0.21 -2.50 -0.06 0.00 0.00 0.00 0.00 36.38 34.03 1t20 s VAL 49 CO -0.05 0.57 0.03 -1.61 0.00 0.00 0.00 175.10 174.04 1t20 s GLU 50 N -0.46 1.89 0.10 2.72 2.02 -0.51 -4.96 118.70 119.50 1t20 s GLU 50 Ca 0.07 -2.09 -0.11 0.00 0.02 0.00 0.00 54.97 52.86 1t20 s GLU 50 Cb -0.12 -1.28 0.01 0.00 0.10 0.00 0.00 34.13 32.84 1t20 s GLU 50 CO 0.02 -0.17 0.26 -3.38 0.02 0.00 0.00 175.26 172.00 1t20 s HIS 51 N -2.97 0.04 0.90 1.61 -3.43 -1.26 -0.76 115.29 109.42 1t20 s HIS 51 Ca 0.31 -0.42 -0.12 0.00 -0.80 0.00 0.00 55.06 54.02 1t20 s HIS 51 Cb 0.08 0.04 0.13 0.00 -1.43 0.00 0.00 32.58 31.40 1t20 s HIS 51 CO 0.15 -0.59 1.15 -1.54 -2.00 0.00 0.00 174.74 171.91 1t20 s SER 52 N -2.82 3.59 0.10 7.38 1.04 -0.55 -4.99 113.70 117.45 1t20 s SER 52 Ca 0.04 0.91 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 1t20 s SER 52 Cb 0.04 -1.46 -0.06 0.00 0.10 0.00 0.00 66.02 64.64 1t20 s SER 52 CO -0.11 -2.49 1.05 -1.81 0.98 0.00 0.00 173.24 170.85 1t20 s ASP 53 N -4.12 7.33 0.04 7.02 1.01 -1.26 -4.77 116.67 121.91 1t20 s ASP 53 Ca 0.64 1.90 -0.37 0.00 0.71 0.00 0.00 52.55 55.43 1t20 s ASP 53 Cb -0.14 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 41.04 1t20 s ASP 53 CO 0.53 -0.22 1.42 -0.11 0.21 0.00 0.00 175.17 177.00 1t20 n LEU 54 N 3.08 1.87 -4.10 1.23 7.94 -1.26 -4.95 117.00 120.80 1t20 n LEU 54 Ca 0.04 1.11 -0.12 0.00 -1.11 0.00 0.00 56.01 55.93 1t20 n LEU 54 Cb 0.48 -1.20 -0.07 0.00 0.53 0.00 0.00 43.42 43.16 1t20 n LEU 54 CO 0.53 -0.89 0.01 -0.55 -1.11 0.00 0.00 177.39 175.38 1t20 s SER 55 N 1.01 0.32 0.16 1.96 0.15 -1.24 -5.06 113.70 111.01 1t20 s SER 55 Ca 0.86 -1.26 -0.05 0.00 0.70 0.00 0.00 55.95 56.20 1t20 s SER 55 Cb -0.95 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.87 1t20 s SER 55 CO 0.49 -1.07 0.20 0.72 1.20 0.00 0.00 173.24 174.78 1t20 s PHE 56 N -3.82 0.67 0.54 3.44 -0.12 -1.26 -1.82 117.98 115.60 1t20 s PHE 56 Ca 0.31 -1.01 0.02 0.00 -0.05 0.00 0.00 56.93 56.19 1t20 s PHE 56 Cb 0.02 -0.26 0.10 0.00 -0.63 0.00 0.00 43.02 42.26 1t20 s PHE 56 CO 0.14 -0.66 0.74 0.43 -0.05 0.00 0.00 175.22 175.81 1t20 n SER 57 N -0.19 1.19 -0.19 1.98 7.64 0.44 -4.93 113.62 119.55 1t20 n SER 57 Ca -0.05 -1.95 0.11 0.00 1.01 0.00 0.00 58.87 57.98 1t20 n SER 57 Cb 0.64 -0.46 0.41 0.00 -1.01 0.00 0.00 64.21 63.79 1t20 n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1t20 h LYS 58 N 0.00 0.59 -0.14 1.43 1.63 -2.03 0.38 116.57 118.44 1t20 h LYS 58 Ca -0.24 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1t20 h LYS 58 Cb 0.95 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.45 1t20 h LYS 58 CO 0.28 0.39 0.00 -0.40 -3.45 0.00 0.00 179.45 176.27 1t20 n ASP 59 N -4.50 0.96 0.00 4.20 5.75 -1.26 -4.90 116.55 116.80 1t20 n ASP 59 Ca 0.13 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 1t20 n ASP 59 Cb 0.38 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1t20 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1t20 n TRP 60 N -0.07 0.00 -2.58 2.11 7.02 0.12 -5.03 117.44 119.01 1t20 n TRP 60 Ca 0.11 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.23 1t20 n TRP 60 Cb 0.19 -0.04 -0.04 0.00 -2.42 0.00 0.00 31.31 28.99 1t20 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1t20 s SER 61 N -3.14 6.82 0.52 -0.99 1.04 -1.26 -4.64 113.70 112.05 1t20 s SER 61 Ca 0.00 2.00 -0.08 0.00 0.48 0.00 0.00 55.95 58.36 1t20 s SER 61 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1t20 s SER 61 CO 0.00 -0.44 0.87 -0.36 0.98 0.00 0.00 173.24 174.28 1t20 s PHE 62 N -1.68 3.58 -0.08 5.02 0.08 -0.59 -0.42 117.98 123.89 1t20 s PHE 62 Ca 0.57 0.99 -0.12 0.00 0.12 0.00 0.00 56.93 58.50 1t20 s PHE 62 Cb -0.21 -2.46 0.03 0.00 -0.57 0.00 0.00 43.02 39.81 1t20 s PHE 62 CO 0.26 -0.41 0.30 1.52 -0.10 0.00 0.00 175.22 176.80 1t20 s TYR 63 N -2.86 -0.27 -0.03 0.36 1.13 -0.75 -1.10 117.35 113.82 1t20 s TYR 63 Ca 0.50 0.60 -0.08 0.00 -1.41 0.00 0.00 57.07 56.69 1t20 s TYR 63 Cb -0.11 0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.87 1t20 s TYR 63 CO 0.47 -0.23 0.19 -0.51 -2.51 0.00 0.00 175.55 172.95 1t20 s LEU 64 N -0.36 1.33 -0.20 -3.49 1.43 -0.33 -3.59 118.68 113.47 1t20 s LEU 64 Ca -0.05 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1t20 s LEU 64 Cb -0.03 0.76 0.00 0.00 0.03 0.00 0.00 46.19 46.94 1t20 s LEU 64 CO 0.02 -0.25 -0.11 -0.22 0.23 0.00 0.00 176.35 176.01 1t20 s LEU 65 N -0.74 2.58 -0.08 1.79 2.96 -1.26 -1.74 118.68 122.19 1t20 s LEU 65 Ca -0.08 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 1t20 s LEU 65 Cb -0.05 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1t20 s LEU 65 CO 0.01 -0.01 0.06 -0.31 -1.32 0.00 0.00 176.35 174.79 1t20 s TYR 66 N 1.36 3.32 0.14 5.38 1.51 -0.49 -1.49 117.35 127.08 1t20 s TYR 66 Ca 0.05 0.30 -0.16 0.00 -1.01 0.00 0.00 57.07 56.24 1t20 s TYR 66 Cb -0.14 -1.83 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1t20 s TYR 66 CO -0.07 0.57 0.43 1.52 -1.11 0.00 0.00 175.55 176.89 1t20 s TYR 67 N -0.98 -0.16 -0.05 2.71 1.13 0.06 -0.49 117.35 119.56 1t20 s TYR 67 Ca 0.16 -0.16 -0.26 0.00 -1.41 0.00 0.00 57.07 55.40 1t20 s TYR 67 Cb -0.12 0.28 0.06 0.00 -1.10 0.00 0.00 41.96 41.08 1t20 s TYR 67 CO 0.05 -0.76 0.56 -0.08 -2.51 0.00 0.00 175.55 172.82 1t20 s THR 68 N -3.83 0.02 0.26 -3.49 -1.32 -0.71 -1.43 115.64 105.14 1t20 s THR 68 Ca 0.05 -0.14 -0.29 0.00 -1.21 0.00 0.00 61.69 60.10 1t20 s THR 68 Cb 0.01 -0.87 -0.09 0.00 -1.51 0.00 0.00 72.50 70.03 1t20 s THR 68 CO -0.09 -0.08 1.00 -0.70 -2.21 0.00 0.00 174.62 172.54 1t20 s GLU 69 N -1.14 4.74 0.26 7.08 2.12 -1.26 -0.42 118.70 130.08 1t20 s GLU 69 Ca -0.11 1.58 -0.18 0.00 0.36 0.00 0.00 54.97 56.62 1t20 s GLU 69 Cb -0.02 -3.19 0.01 0.00 0.26 0.00 0.00 34.13 31.20 1t20 s GLU 69 CO 0.08 0.38 0.61 -0.59 -0.54 0.00 0.00 175.26 175.19 1t20 s PHE 70 N -1.22 0.01 -0.26 5.30 -0.71 -0.79 -4.88 117.98 115.43 1t20 s PHE 70 Ca 0.43 -0.42 -0.01 0.00 -1.04 0.00 0.00 56.93 55.90 1t20 s PHE 70 Cb -0.27 0.48 0.08 0.00 -1.21 0.00 0.00 43.02 42.10 1t20 s PHE 70 CO 0.34 -1.11 0.05 0.99 -1.34 0.00 0.00 175.22 174.15 1t20 s THR 71 N -3.95 0.94 0.48 -4.49 2.01 -1.26 -0.17 115.64 109.20 1t20 s THR 71 Ca 0.15 -1.16 -0.23 0.00 0.31 0.00 0.00 61.69 60.76 1t20 s THR 71 Cb -0.03 -1.54 -0.07 0.00 0.01 0.00 0.00 72.50 70.87 1t20 s THR 71 CO 0.06 -0.44 1.25 -2.16 -0.69 0.00 0.00 174.62 172.64 1t20 s PRO 72 N 1.62 3.61 0.31 4.92 0.04 -1.26 -4.81 135.00 139.42 1t20 s PRO 72 Ca 0.04 1.98 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1t20 s PRO 72 Cb -0.18 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 1t20 s PRO 72 CO -0.16 -0.73 0.10 0.95 0.04 0.00 0.00 177.00 177.19 1t20 s THR 73 N -1.42 0.74 -0.00 1.26 -4.23 -1.26 -1.53 115.64 109.19 1t20 s THR 73 Ca 0.65 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.42 1t20 s THR 73 Cb -0.34 -2.63 0.29 0.00 1.34 0.00 0.00 72.50 71.17 1t20 s THR 73 CO 0.41 0.00 1.81 -0.08 -0.54 0.00 0.00 174.62 176.22 1t20 h GLU 74 N 2.18 0.00 0.00 3.99 4.81 -1.98 -3.38 114.58 120.21 1t20 h GLU 74 Ca -0.38 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.82 1t20 h GLU 74 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1t20 h GLU 74 CO 0.62 0.13 -0.92 0.36 -0.73 0.00 0.00 179.01 178.47 1t20 n LYS 75 N -3.22 0.51 -1.50 1.92 2.85 -1.26 -4.99 118.16 112.46 1t20 n LYS 75 Ca 0.01 0.34 -0.52 0.00 -1.05 0.00 0.00 58.31 57.09 1t20 n LYS 75 Cb 0.43 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 33.22 1t20 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t20 n ASP 76 N -4.50 0.06 -4.68 -5.58 8.00 -1.26 -4.97 116.55 103.61 1t20 n ASP 76 Ca -0.14 1.15 -0.33 0.00 0.71 0.00 0.00 54.79 56.17 1t20 n ASP 76 Cb 0.45 -1.03 -0.09 0.00 -0.02 0.00 0.00 41.12 40.44 1t20 n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1t20 s GLU 77 N -0.43 2.82 0.11 -1.24 0.41 -1.26 -4.74 118.70 114.37 1t20 s GLU 77 Ca 0.77 -0.57 0.07 0.00 -0.41 0.00 0.00 54.97 54.83 1t20 s GLU 77 Cb -1.03 -2.69 -0.03 0.00 -1.78 0.00 0.00 34.13 28.59 1t20 s GLU 77 CO 0.55 0.64 -0.17 0.71 -0.49 0.00 0.00 175.26 176.50 1t20 s TYR 78 N -1.04 1.53 0.14 1.61 2.02 -1.26 -0.26 117.35 120.09 1t20 s TYR 78 Ca 0.18 -0.47 -0.25 0.00 -0.37 0.00 0.00 57.07 56.16 1t20 s TYR 78 Cb -0.11 -0.82 0.07 0.00 -0.40 0.00 0.00 41.96 40.69 1t20 s TYR 78 CO 0.08 0.16 0.80 0.00 -1.57 0.00 0.00 175.55 175.02 1t20 s ALA 79 N -1.54 -1.60 -0.10 3.71 0.00 -0.89 -0.66 121.76 120.69 1t20 s ALA 79 Ca 0.06 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1t20 s ALA 79 Cb -0.08 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1t20 s ALA 79 CO 0.04 -0.87 -0.18 0.00 0.00 0.00 0.00 175.76 174.74 1t20 s ARG 81 N 0.13 3.43 -0.08 0.00 3.52 0.14 -1.08 118.95 125.01 1t20 s ARG 81 Ca -0.09 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 1t20 s ARG 81 Cb -0.15 -2.99 -0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1t20 s ARG 81 CO 0.06 -0.11 -0.21 0.08 -0.81 0.00 0.00 175.30 174.31 1t20 s VAL 82 N 1.25 1.83 -0.04 7.11 1.01 0.70 -0.97 120.40 131.29 1t20 s VAL 82 Ca 0.03 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1t20 s VAL 82 Cb -0.14 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.66 1t20 s VAL 82 CO -0.01 0.51 -0.14 0.21 0.00 0.00 0.00 175.10 175.67 1t20 s ASN 83 N 0.24 1.83 0.10 3.32 2.47 -0.38 -0.33 114.94 122.19 1t20 s ASN 83 Ca -0.13 -0.30 -0.11 0.00 0.42 0.00 0.00 52.86 52.74 1t20 s ASN 83 Cb -0.16 -0.52 0.01 0.00 -1.45 0.00 0.00 41.25 39.13 1t20 s ASN 83 CO 0.06 0.12 0.26 -2.28 -3.72 0.00 0.00 177.10 171.54 1t20 s HIS 84 N 0.13 0.03 0.49 0.43 5.65 -1.26 -1.73 115.29 119.03 1t20 s HIS 84 Ca -0.04 -0.42 0.17 0.00 0.25 0.00 0.00 55.06 55.02 1t20 s HIS 84 Cb -0.11 0.05 1.21 0.00 -1.18 0.00 0.00 32.58 32.55 1t20 s HIS 84 CO 0.02 -0.59 2.06 -0.24 -0.65 0.00 0.00 174.74 175.33 1t20 h VAL 85 N 2.64 0.92 0.00 0.89 3.04 -1.95 0.67 116.25 122.46 1t20 h VAL 85 Ca -0.34 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1t20 h VAL 85 Cb 1.22 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1t20 h VAL 85 CO 0.53 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.47 1t20 n THR 86 N -4.47 0.03 -4.04 3.17 -2.24 -1.26 -4.77 114.28 100.71 1t20 n THR 86 Ca 0.04 0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.48 1t20 n THR 86 Cb 0.29 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 67.86 1t20 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1t20 s LEU 87 N -2.25 3.38 0.19 3.22 1.43 0.23 -4.98 118.68 119.89 1t20 s LEU 87 Ca 0.37 -0.15 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 1t20 s LEU 87 Cb 0.20 -1.86 0.11 0.00 0.03 0.00 0.00 46.19 44.67 1t20 s LEU 87 CO 0.38 0.07 1.84 0.28 0.23 0.00 0.00 176.35 179.15 1t20 h SER 88 N 7.43 0.76 -5.12 2.29 0.02 -1.86 -3.44 113.55 113.64 1t20 h SER 88 Ca -0.36 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.41 1t20 h SER 88 Cb 1.18 -0.19 -0.17 0.00 0.14 0.00 0.00 62.40 63.35 1t20 h SER 88 CO 0.62 0.58 -0.63 0.00 -1.14 0.00 0.00 176.83 176.26 1t20 s GLN 89 N -6.03 0.52 0.19 3.45 -2.07 -1.26 -5.12 119.66 109.35 1t20 s GLN 89 Ca -0.13 -0.90 -0.32 0.00 -1.82 0.00 0.00 55.36 52.19 1t20 s GLN 89 Cb 0.14 0.19 -0.15 0.00 -1.09 0.00 0.00 33.01 32.10 1t20 s GLN 89 CO 0.77 -0.11 1.17 -2.30 -1.32 0.00 0.00 175.29 173.50 1t20 n PRO 90 N 0.72 1.29 -3.95 9.60 -0.02 -1.26 -4.93 135.00 136.45 1t20 n PRO 90 Ca -0.18 0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 61.39 1t20 n PRO 90 Cb 0.59 -1.96 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 1t20 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1t20 s LYS 91 N -0.52 3.42 -0.12 -0.52 2.20 0.55 -4.92 119.74 119.83 1t20 s LYS 91 Ca 0.71 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 1t20 s LYS 91 Cb -0.81 -3.14 0.02 0.00 -1.51 0.00 0.00 37.83 32.38 1t20 s LYS 91 CO 0.53 0.73 -0.14 0.42 -0.36 0.00 0.00 175.35 176.53 1t20 s ILE 92 N -0.91 1.48 -0.22 5.43 1.01 -1.26 -0.21 121.20 126.51 1t20 s ILE 92 Ca 0.14 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 1t20 s ILE 92 Cb -0.12 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.99 1t20 s ILE 92 CO 0.03 0.44 -0.09 -0.69 0.00 0.00 0.00 174.94 174.63 1t20 s VAL 93 N 1.16 2.84 0.38 2.92 1.01 -0.24 -4.96 120.40 123.51 1t20 s VAL 93 Ca -0.03 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1t20 s VAL 93 Cb -0.14 -2.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.80 1t20 s VAL 93 CO -0.04 0.36 0.98 -0.75 0.00 0.00 0.00 175.10 175.64 1t20 s LYS 94 N 1.37 4.34 0.16 2.72 2.20 -1.26 -0.07 119.74 129.18 1t20 s LYS 94 Ca 0.03 1.32 -0.30 0.00 -0.36 0.00 0.00 55.97 56.66 1t20 s LYS 94 Cb -0.15 -2.52 -0.07 0.00 -1.51 0.00 0.00 37.83 33.58 1t20 s LYS 94 CO -0.06 0.05 1.07 -0.46 -0.36 0.00 0.00 175.35 175.59 1t20 s TRP 95 N -1.81 3.64 -0.15 4.03 -0.00 0.17 -4.91 118.94 119.91 1t20 s TRP 95 Ca 0.56 1.63 0.00 0.00 -0.00 0.00 0.00 56.10 58.29 1t20 s TRP 95 Cb -0.17 -3.23 0.03 0.00 -0.00 0.00 0.00 33.47 30.10 1t20 s TRP 95 CO 0.21 -0.45 -0.11 0.34 -0.00 0.00 0.00 176.95 176.94 1t20 s ASP 96 N -0.02 2.72 0.41 5.86 -1.08 -1.26 -4.83 116.67 118.48 1t20 s ASP 96 Ca 0.49 -0.54 0.18 0.00 -0.52 0.00 0.00 52.55 52.17 1t20 s ASP 96 Cb -0.28 -1.10 1.10 0.00 -1.46 0.00 0.00 42.92 41.19 1t20 s ASP 96 CO 0.33 -0.10 1.82 0.03 0.52 0.00 0.00 175.17 177.78 1t20 h ARG 97 N 8.07 0.38 -0.80 4.34 3.08 -1.96 -1.48 114.38 126.01 1t20 h ARG 97 Ca -0.33 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 1t20 h ARG 97 Cb 1.13 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1t20 h ARG 97 CO 0.48 0.25 0.05 -0.25 -1.07 0.00 0.00 179.97 179.44 1t20 n ASP 98 N -4.54 3.65 0.00 7.04 8.00 -1.26 -4.80 116.55 124.64 1t20 n ASP 98 Ca 0.22 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 53.14 1t20 n ASP 98 Cb 0.78 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1t20 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04