#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1y s GLN 2 N 0.00 1.56 -0.04 6.28 -0.21 -1.26 -4.52 119.66 121.47 1t1y s GLN 2 Ca 0.00 -1.25 -0.01 0.00 0.02 0.00 0.00 55.36 54.12 1t1y s GLN 2 Cb 0.00 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 32.12 1t1y s GLN 2 CO 0.00 0.47 0.08 1.03 -2.12 0.00 0.00 175.29 174.75 1t1y s ARG 3 N -1.73 0.02 0.28 2.91 0.52 0.03 -4.91 118.95 116.07 1t1y s ARG 3 Ca 0.13 0.26 -0.28 0.00 -0.52 0.00 0.00 55.73 55.32 1t1y s ARG 3 Cb -0.10 -0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.07 1t1y s ARG 3 CO 0.04 -0.16 0.94 -0.08 0.02 0.00 0.00 175.30 176.07 1t1y s THR 4 N 1.06 4.14 0.36 0.02 -1.32 -1.26 -1.77 115.64 116.86 1t1y s THR 4 Ca -0.09 1.96 -0.27 0.00 -1.21 0.00 0.00 61.69 62.09 1t1y s THR 4 Cb -0.12 -4.17 -0.09 0.00 -1.51 0.00 0.00 72.50 66.61 1t1y s THR 4 CO -0.04 0.33 1.20 -2.16 -2.21 0.00 0.00 174.62 171.74 1t1y s PRO 5 N -1.61 4.25 0.20 7.08 0.04 -1.26 -4.30 135.00 139.41 1t1y s PRO 5 Ca 0.45 1.95 -0.07 0.00 0.04 0.00 0.00 61.00 63.38 1t1y s PRO 5 Cb -0.22 -2.89 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 1t1y s PRO 5 CO 0.28 -0.18 0.47 0.15 0.04 0.00 0.00 177.00 177.76 1t1y s LYS 6 N -1.98 3.70 -0.02 4.56 1.02 0.57 -4.92 119.74 122.67 1t1y s LYS 6 Ca 0.52 0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.61 1t1y s LYS 6 Cb -0.34 -2.74 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 1t1y s LYS 6 CO 0.44 0.37 -0.03 0.42 -0.92 0.00 0.00 175.35 175.63 1t1y s ILE 7 N -1.77 0.32 -0.04 2.17 -1.09 -1.26 -2.19 121.20 117.35 1t1y s ILE 7 Ca 0.44 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.78 1t1y s ILE 7 Cb -0.12 -0.33 0.02 0.00 -1.58 0.00 0.00 42.46 40.45 1t1y s ILE 7 CO 0.23 0.13 -0.04 -1.10 -1.23 0.00 0.00 174.94 172.94 1t1y s GLN 8 N 0.42 0.70 -0.14 2.79 -0.21 -0.70 -5.00 119.66 117.52 1t1y s GLN 8 Ca -0.04 -0.08 0.01 0.00 0.02 0.00 0.00 55.36 55.26 1t1y s GLN 8 Cb -0.08 -0.73 -0.01 0.00 1.00 0.00 0.00 33.01 33.20 1t1y s GLN 8 CO -0.01 -0.07 -0.15 0.08 -2.12 0.00 0.00 175.29 173.02 1t1y s VAL 9 N 0.82 2.73 0.22 1.09 1.01 -1.26 -1.19 120.40 123.83 1t1y s VAL 9 Ca -0.10 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1t1y s VAL 9 Cb -0.13 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.15 1t1y s VAL 9 CO -0.00 0.52 0.85 -0.72 0.00 0.00 0.00 175.10 175.75 1t1y s TYR 10 N 0.60 -0.13 0.13 5.22 1.13 -0.81 -4.52 117.35 118.97 1t1y s TYR 10 Ca -0.09 -0.28 0.03 0.00 -1.41 0.00 0.00 57.07 55.32 1t1y s TYR 10 Cb -0.16 0.69 -0.04 0.00 -1.10 0.00 0.00 41.96 41.35 1t1y s TYR 10 CO 0.03 -1.06 0.19 -1.54 -2.51 0.00 0.00 175.55 170.67 1t1y s SER 11 N -2.97 5.96 0.18 -0.18 1.04 -1.26 -0.03 113.70 116.44 1t1y s SER 11 Ca 0.12 0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.52 1t1y s SER 11 Cb -0.04 -1.70 0.08 0.00 0.10 0.00 0.00 66.02 64.46 1t1y s SER 11 CO 0.05 0.10 1.67 -0.09 0.98 0.00 0.00 173.24 175.95 1t1y h ARG 12 N 2.57 1.03 -6.15 4.02 2.43 -1.30 -3.45 114.38 113.53 1t1y h ARG 12 Ca -0.47 -0.27 -0.61 0.00 -0.81 0.00 0.00 59.98 57.82 1t1y h ARG 12 Cb 1.19 -0.12 -0.13 0.00 -0.42 0.00 0.00 29.97 30.48 1t1y h ARG 12 CO 0.68 0.96 -0.73 -1.01 -1.51 0.00 0.00 179.97 178.36 1t1y s HIS 13 N -5.21 2.36 0.14 2.20 3.76 -1.26 -5.04 115.29 112.23 1t1y s HIS 13 Ca -0.12 -0.36 -0.34 0.00 -0.15 0.00 0.00 55.06 54.08 1t1y s HIS 13 Cb 0.13 -1.11 -0.16 0.00 1.11 0.00 0.00 32.58 32.56 1t1y s HIS 13 CO 0.84 0.67 1.30 -2.30 -0.85 0.00 0.00 174.74 174.40 1t1y n PRO 14 N -0.69 1.33 -2.38 8.40 -0.02 -1.26 -4.85 135.00 135.52 1t1y n PRO 14 Ca -0.05 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 1t1y n PRO 14 Cb 0.61 -2.08 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1t1y n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t1y s ALA 15 N 0.22 3.43 -0.19 3.55 0.00 -1.26 -5.01 121.76 122.50 1t1y s ALA 15 Ca 0.78 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 53.60 1t1y s ALA 15 Cb -0.86 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 18.92 1t1y s ALA 15 CO 0.48 -0.38 0.40 -1.21 0.00 0.00 0.00 175.76 175.05 1t1y s GLU 16 N 0.00 0.31 0.27 0.00 0.41 -1.26 -5.13 118.70 113.30 1t1y s GLU 16 Ca 0.54 0.99 -0.29 0.00 -0.41 0.00 0.00 54.97 55.79 1t1y s GLU 16 Cb -0.32 0.27 -0.14 0.00 -1.78 0.00 0.00 34.13 32.15 1t1y s GLU 16 CO 0.35 -0.25 1.07 0.09 -0.49 0.00 0.00 175.26 176.04 1t1y n ASN 17 N 5.30 1.47 0.00 -0.19 3.02 -1.26 -1.60 115.26 122.00 1t1y n ASN 17 Ca -0.09 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.63 1t1y n ASN 17 Cb 0.50 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1t1y n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t1y n GLY 18 N 1.39 2.80 3.55 7.41 0.00 -0.59 -5.00 105.19 114.75 1t1y n GLY 18 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1t1y n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t1y s LYS 19 N -0.15 3.84 0.27 1.61 1.02 -0.63 -4.98 119.74 120.72 1t1y s LYS 19 Ca 0.00 -0.39 -0.28 0.00 0.02 0.00 0.00 55.97 55.32 1t1y s LYS 19 Cb 0.00 -3.37 -0.15 0.00 -0.52 0.00 0.00 37.83 33.79 1t1y s LYS 19 CO 0.00 -0.03 0.93 0.45 -0.92 0.00 0.00 175.35 175.78 1t1y n SER 20 N 4.48 0.83 -0.67 2.83 2.88 -1.26 -4.39 113.62 118.31 1t1y n SER 20 Ca -0.16 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1t1y n SER 20 Cb 0.52 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1t1y n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1t1y n ASN 21 N 1.41 0.00 -3.88 -3.46 2.85 0.10 -4.98 115.26 107.30 1t1y n ASN 21 Ca 0.11 -0.67 -0.18 0.00 -0.11 0.00 0.00 54.58 53.74 1t1y n ASN 21 Cb 0.30 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.16 1t1y n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1t1y s PHE 22 N -5.42 0.52 -0.25 1.20 0.40 -1.26 -1.44 117.98 111.72 1t1y s PHE 22 Ca 0.00 -0.10 -0.10 0.00 -0.60 0.00 0.00 56.93 56.13 1t1y s PHE 22 Cb 0.00 -0.49 -0.05 0.00 0.51 0.00 0.00 43.02 42.99 1t1y s PHE 22 CO 0.00 -0.13 0.16 -1.17 0.70 0.00 0.00 175.22 174.78 1t1y s LEU 23 N 0.73 4.01 0.08 -0.37 2.96 0.62 -0.70 118.68 126.02 1t1y s LEU 23 Ca -0.09 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.92 1t1y s LEU 23 Cb -0.12 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1t1y s LEU 23 CO -0.01 0.02 -0.06 0.20 -1.32 0.00 0.00 176.35 175.19 1t1y s ASN 24 N 1.31 4.65 -0.22 3.68 0.01 0.95 -1.73 114.94 123.59 1t1y s ASN 24 Ca 0.07 -0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 51.92 1t1y s ASN 24 Cb -0.14 -1.00 0.07 0.00 0.41 0.00 0.00 41.25 40.59 1t1y s ASN 24 CO 0.06 0.19 0.06 0.00 -1.51 0.00 0.00 177.10 175.91 1t1y s TYR 26 N 1.86 3.20 -0.09 0.00 5.04 -0.33 -0.80 117.35 126.22 1t1y s TYR 26 Ca 0.02 -0.22 0.01 0.00 -2.44 0.00 0.00 57.07 54.44 1t1y s TYR 26 Cb -0.17 -2.39 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 1t1y s TYR 26 CO -0.14 -0.32 -0.12 0.14 -1.34 0.00 0.00 175.55 173.77 1t1y s VAL 27 N 1.70 3.21 0.28 3.14 -7.23 -0.46 -1.72 120.40 119.31 1t1y s VAL 27 Ca 0.06 -0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 59.49 1t1y s VAL 27 Cb -0.17 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.46 1t1y s VAL 27 CO 0.09 0.56 0.50 -0.94 -0.31 0.00 0.00 175.10 175.00 1t1y s SER 28 N -0.20 0.13 -0.41 4.85 1.04 -0.93 -0.89 113.70 117.29 1t1y s SER 28 Ca 0.01 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.37 1t1y s SER 28 Cb -0.13 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1t1y s SER 28 CO 0.03 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1t1y n GLY 29 N -0.43 0.62 3.91 7.32 0.00 -0.57 -0.32 105.19 115.72 1t1y n GLY 29 Ca -0.02 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1t1y n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1t1y s PHE 30 N -1.89 3.10 -0.28 1.61 -0.71 -1.20 -4.24 117.98 114.36 1t1y s PHE 30 Ca 0.00 -0.19 -0.20 0.00 -1.04 0.00 0.00 56.93 55.50 1t1y s PHE 30 Cb 0.00 -1.73 0.12 0.00 -1.21 0.00 0.00 43.02 40.20 1t1y s PHE 30 CO 0.00 0.24 0.93 -1.58 -1.34 0.00 0.00 175.22 173.48 1t1y s HIS 31 N -2.18 -0.63 1.16 3.49 2.46 -0.73 -0.74 115.29 118.12 1t1y s HIS 31 Ca 0.39 1.36 -0.18 0.00 0.47 0.00 0.00 55.06 57.10 1t1y s HIS 31 Cb -0.08 0.39 0.27 0.00 -0.13 0.00 0.00 32.58 33.03 1t1y s HIS 31 CO 0.28 -0.31 1.13 -1.25 -2.47 0.00 0.00 174.74 172.12 1t1y s PRO 32 N 0.94 -0.88 0.45 2.88 0.04 -1.26 -0.79 135.00 136.39 1t1y s PRO 32 Ca -0.04 -0.06 0.25 0.00 0.04 0.00 0.00 61.00 61.19 1t1y s PRO 32 Cb -0.04 -1.64 0.93 0.00 0.04 0.00 0.00 34.50 33.79 1t1y s PRO 32 CO -0.12 -3.48 1.83 0.66 0.04 0.00 0.00 177.00 175.93 1t1y h SER 33 N -2.42 0.00 -2.82 6.66 4.64 -1.99 -3.45 113.55 114.18 1t1y h SER 33 Ca -0.46 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.34 1t1y h SER 33 Cb 1.29 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 63.42 1t1y h SER 33 CO 0.37 0.19 0.89 -1.81 -0.87 0.00 0.00 176.83 175.59 1t1y s ASP 34 N -6.12 6.60 -0.02 4.97 1.01 -1.26 -4.96 116.67 116.89 1t1y s ASP 34 Ca 0.01 2.59 -0.30 0.00 0.71 0.00 0.00 52.55 55.56 1t1y s ASP 34 Cb 0.10 -2.59 0.07 0.00 1.01 0.00 0.00 42.92 41.51 1t1y s ASP 34 CO 0.63 -0.82 0.67 -0.51 0.21 0.00 0.00 175.17 175.34 1t1y s ILE 35 N 1.31 0.00 -0.22 0.77 -1.16 -1.26 -4.69 121.20 115.95 1t1y s ILE 35 Ca 0.70 -0.00 -0.00 0.00 -0.51 0.00 0.00 60.65 60.84 1t1y s ILE 35 Cb -0.43 -1.00 0.02 0.00 0.61 0.00 0.00 42.46 41.67 1t1y s ILE 35 CO 0.31 -0.00 -0.12 -0.70 -2.81 0.00 0.00 174.94 171.62 1t1y s GLU 36 N -1.57 2.89 -0.10 3.50 2.12 -0.62 -5.01 118.70 119.91 1t1y s GLU 36 Ca -0.09 -0.92 0.02 0.00 0.36 0.00 0.00 54.97 54.33 1t1y s GLU 36 Cb -0.00 -2.82 0.01 0.00 0.26 0.00 0.00 34.13 31.59 1t1y s GLU 36 CO 0.07 -0.32 -0.15 0.08 -0.54 0.00 0.00 175.26 174.39 1t1y s VAL 37 N 1.30 1.46 0.02 3.70 1.01 -1.26 -1.18 120.40 125.45 1t1y s VAL 37 Ca 0.02 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1t1y s VAL 37 Cb -0.15 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1t1y s VAL 37 CO -0.08 0.43 -0.14 -1.81 0.00 0.00 0.00 175.10 173.51 1t1y s ASP 38 N 0.89 1.64 -0.16 3.32 1.01 -0.10 -4.98 116.67 118.29 1t1y s ASP 38 Ca -0.09 -0.37 -0.08 0.00 0.71 0.00 0.00 52.55 52.72 1t1y s ASP 38 Cb -0.15 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 1t1y s ASP 38 CO 0.00 0.09 0.12 -0.76 0.21 0.00 0.00 175.17 174.82 1t1y s LEU 39 N -0.81 4.18 0.09 1.23 1.43 -1.26 0.40 118.68 123.93 1t1y s LEU 39 Ca 0.03 0.29 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1t1y s LEU 39 Cb -0.07 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1t1y s LEU 39 CO 0.01 0.28 -0.14 -0.76 0.23 0.00 0.00 176.35 175.97 1t1y s LEU 40 N -0.26 2.86 -0.24 1.79 1.43 0.14 -1.54 118.68 122.85 1t1y s LEU 40 Ca 0.10 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1t1y s LEU 40 Cb -0.12 -1.68 0.06 0.00 0.03 0.00 0.00 46.19 44.49 1t1y s LEU 40 CO 0.01 0.20 -0.04 -0.75 0.23 0.00 0.00 176.35 176.00 1t1y s LYS 41 N -1.98 1.56 -1.34 1.70 2.20 0.14 -2.44 119.74 119.58 1t1y s LYS 41 Ca 0.19 -1.03 -0.01 0.00 -0.36 0.00 0.00 55.97 54.75 1t1y s LYS 41 Cb -0.11 -2.59 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 1t1y s LYS 41 CO 0.10 -0.64 0.69 0.09 -0.36 0.00 0.00 175.35 175.24 1t1y n ASN 42 N 4.66 -1.33 0.00 1.43 3.02 0.02 -1.76 115.26 121.30 1t1y n ASN 42 Ca -0.11 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1t1y n ASN 42 Cb 0.44 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.68 1t1y n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t1y n GLY 43 N -1.63 2.99 3.86 7.41 0.00 -1.26 -5.01 105.19 111.54 1t1y n GLY 43 Ca -0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1t1y n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t1y s GLU 44 N -0.17 3.37 0.30 1.61 2.12 -0.72 -5.01 118.70 120.20 1t1y s GLU 44 Ca 0.00 -0.23 -0.29 0.00 0.36 0.00 0.00 54.97 54.81 1t1y s GLU 44 Cb 0.00 -3.11 -0.10 0.00 0.26 0.00 0.00 34.13 31.18 1t1y s GLU 44 CO 0.00 0.74 1.32 0.50 -0.54 0.00 0.00 175.26 177.27 1t1y s ARG 45 N -1.30 4.36 -0.12 4.30 3.52 -1.26 0.29 118.95 128.74 1t1y s ARG 45 Ca 0.18 2.19 -0.14 0.00 -0.13 0.00 0.00 55.73 57.84 1t1y s ARG 45 Cb -0.12 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 1t1y s ARG 45 CO 0.08 -0.21 0.32 0.42 -0.81 0.00 0.00 175.30 175.11 1t1y s ILE 46 N -0.84 5.25 -0.01 4.11 1.01 -0.59 -4.85 121.20 125.28 1t1y s ILE 46 Ca 0.51 0.62 -0.18 0.00 0.00 0.00 0.00 60.65 61.60 1t1y s ILE 46 Cb -0.39 -3.64 -0.34 0.00 0.01 0.00 0.00 42.46 38.09 1t1y s ILE 46 CO 0.49 0.45 0.94 -0.33 0.00 0.00 0.00 174.94 176.49 1t1y h GLU 47 N 6.06 0.44 -2.59 2.79 4.39 -1.95 -3.39 114.58 120.33 1t1y h GLU 47 Ca -0.45 -0.75 -0.48 0.00 0.34 0.00 0.00 59.36 58.02 1t1y h GLU 47 Cb 1.19 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 30.10 1t1y h GLU 47 CO 0.71 1.36 2.12 1.63 -1.16 0.00 0.00 179.01 183.67 1t1y n LYS 48 N -3.87 3.04 -4.21 2.33 4.76 -1.26 -4.89 118.16 114.05 1t1y n LYS 48 Ca -0.16 -1.75 -0.35 0.00 -2.87 0.00 0.00 58.31 53.17 1t1y n LYS 48 Cb 1.00 -2.47 -0.09 0.00 -1.84 0.00 0.00 35.03 31.62 1t1y n LYS 48 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1t1y s VAL 49 N 1.59 4.58 0.44 -0.18 1.01 -1.26 -4.67 120.40 121.90 1t1y s VAL 49 Ca 0.68 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1t1y s VAL 49 Cb 0.24 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1t1y s VAL 49 CO -0.04 0.56 0.08 -1.61 0.00 0.00 0.00 175.10 174.09 1t1y s GLU 50 N -0.49 2.10 0.06 2.72 2.02 -0.57 -4.95 118.70 119.59 1t1y s GLU 50 Ca 0.09 -2.08 -0.13 0.00 0.02 0.00 0.00 54.97 52.87 1t1y s GLU 50 Cb -0.12 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.38 1t1y s GLU 50 CO 0.02 -0.16 0.30 -3.38 0.02 0.00 0.00 175.26 172.06 1t1y s HIS 51 N -2.71 -0.08 0.90 1.61 -3.43 -1.26 -0.87 115.29 109.45 1t1y s HIS 51 Ca 0.32 -0.13 -0.12 0.00 -0.80 0.00 0.00 55.06 54.32 1t1y s HIS 51 Cb 0.06 0.09 0.13 0.00 -1.43 0.00 0.00 32.58 31.43 1t1y s HIS 51 CO 0.17 -0.54 1.10 -1.54 -2.00 0.00 0.00 174.74 171.93 1t1y s SER 52 N -2.30 3.55 0.11 7.38 1.04 -0.23 -4.98 113.70 118.28 1t1y s SER 52 Ca -0.02 1.30 -0.30 0.00 0.48 0.00 0.00 55.95 57.41 1t1y s SER 52 Cb 0.00 -1.98 -0.06 0.00 0.10 0.00 0.00 66.02 64.08 1t1y s SER 52 CO -0.06 -2.57 1.11 -1.81 0.98 0.00 0.00 173.24 170.90 1t1y s ASP 53 N -3.64 7.22 -0.12 7.02 1.01 -1.26 -4.75 116.67 122.15 1t1y s ASP 53 Ca 0.63 2.00 -0.38 0.00 0.71 0.00 0.00 52.55 55.51 1t1y s ASP 53 Cb -0.17 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 41.02 1t1y s ASP 53 CO 0.56 -0.31 1.61 -0.11 0.21 0.00 0.00 175.17 177.14 1t1y n LEU 54 N 3.13 2.26 -4.27 1.23 7.94 -1.26 -4.96 117.00 121.06 1t1y n LEU 54 Ca 0.05 1.08 -0.18 0.00 -1.11 0.00 0.00 56.01 55.85 1t1y n LEU 54 Cb 0.47 -1.19 -0.08 0.00 0.53 0.00 0.00 43.42 43.15 1t1y n LEU 54 CO 0.54 -0.60 -0.13 -0.55 -1.11 0.00 0.00 177.39 175.54 1t1y s SER 55 N 2.45 1.47 0.14 1.96 0.15 -1.23 -5.05 113.70 113.59 1t1y s SER 55 Ca 0.92 -1.71 -0.13 0.00 0.70 0.00 0.00 55.95 55.74 1t1y s SER 55 Cb -0.98 0.53 0.01 0.00 -1.71 0.00 0.00 66.02 63.87 1t1y s SER 55 CO 0.57 -1.03 0.35 0.72 1.20 0.00 0.00 173.24 175.05 1t1y s PHE 56 N -3.55 0.05 0.74 3.44 -0.12 -1.26 -1.85 117.98 115.43 1t1y s PHE 56 Ca 0.41 -0.41 -0.01 0.00 -0.05 0.00 0.00 56.93 56.87 1t1y s PHE 56 Cb 0.03 0.14 0.14 0.00 -0.63 0.00 0.00 43.02 42.70 1t1y s PHE 56 CO 0.25 -0.72 1.01 -1.12 -0.05 0.00 0.00 175.22 174.60 1t1y s SER 57 N -2.87 4.24 0.33 1.98 0.01 0.07 -4.93 113.70 112.53 1t1y s SER 57 Ca 0.08 -0.45 0.09 0.00 1.31 0.00 0.00 55.95 56.98 1t1y s SER 57 Cb 0.02 0.13 0.82 0.00 0.21 0.00 0.00 66.02 67.20 1t1y s SER 57 CO -0.07 -1.94 1.79 0.50 0.41 0.00 0.00 173.24 173.93 1t1y h LYS 58 N -0.58 0.67 -0.33 12.44 1.63 -2.03 0.14 116.57 128.51 1t1y h LYS 58 Ca -0.35 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1t1y h LYS 58 Cb 1.26 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1t1y h LYS 58 CO 0.38 0.44 0.00 -0.40 -3.45 0.00 0.00 179.45 176.42 1t1y n ASP 59 N -4.71 0.94 0.00 4.20 5.75 -1.26 -4.89 116.55 116.58 1t1y n ASP 59 Ca 0.23 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1t1y n ASP 59 Cb 0.61 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1t1y n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1t1y n TRP 60 N -0.08 0.00 -2.38 2.11 7.02 0.47 -5.02 117.44 119.57 1t1y n TRP 60 Ca 0.04 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.15 1t1y n TRP 60 Cb 0.18 -0.23 -0.02 0.00 -2.42 0.00 0.00 31.31 28.81 1t1y n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1t1y s SER 61 N -3.31 6.49 0.50 -0.99 1.04 -1.26 -4.65 113.70 111.52 1t1y s SER 61 Ca 0.00 2.22 -0.10 0.00 0.48 0.00 0.00 55.95 58.54 1t1y s SER 61 Cb 0.00 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 1t1y s SER 61 CO 0.00 -0.69 0.88 -0.36 0.98 0.00 0.00 173.24 174.05 1t1y s PHE 62 N -1.55 3.53 -0.04 5.02 0.08 0.08 -0.75 117.98 124.34 1t1y s PHE 62 Ca 0.60 1.12 -0.07 0.00 0.12 0.00 0.00 56.93 58.70 1t1y s PHE 62 Cb -0.27 -2.54 0.01 0.00 -0.57 0.00 0.00 43.02 39.66 1t1y s PHE 62 CO 0.33 -0.34 0.17 1.52 -0.10 0.00 0.00 175.22 176.80 1t1y s TYR 63 N -2.71 -0.12 -0.05 0.36 1.13 -0.77 -1.51 117.35 113.68 1t1y s TYR 63 Ca 0.53 0.29 -0.08 0.00 -1.41 0.00 0.00 57.07 56.39 1t1y s TYR 63 Cb -0.10 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.80 1t1y s TYR 63 CO 0.40 -0.16 0.20 -0.51 -2.51 0.00 0.00 175.55 172.97 1t1y s LEU 64 N -0.38 1.26 -0.21 -3.49 1.43 -0.07 -3.51 118.68 113.70 1t1y s LEU 64 Ca -0.05 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.22 1t1y s LEU 64 Cb -0.03 0.77 -0.00 0.00 0.03 0.00 0.00 46.19 46.96 1t1y s LEU 64 CO 0.01 -0.21 -0.06 -0.22 0.23 0.00 0.00 176.35 176.10 1t1y s LEU 65 N -0.51 2.79 -0.11 1.79 2.96 -1.26 -1.35 118.68 122.99 1t1y s LEU 65 Ca -0.06 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1t1y s LEU 65 Cb -0.04 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1t1y s LEU 65 CO 0.01 -0.01 0.07 -0.31 -1.32 0.00 0.00 176.35 174.79 1t1y s TYR 66 N 1.42 3.37 0.06 5.38 1.51 0.02 -1.06 117.35 128.05 1t1y s TYR 66 Ca 0.05 0.33 -0.18 0.00 -1.01 0.00 0.00 57.07 56.26 1t1y s TYR 66 Cb -0.14 -1.89 0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1t1y s TYR 66 CO -0.04 0.55 0.42 1.52 -1.11 0.00 0.00 175.55 176.88 1t1y s TYR 67 N -0.79 -0.26 0.00 2.71 1.13 -0.05 -0.49 117.35 119.61 1t1y s TYR 67 Ca 0.13 0.17 -0.18 0.00 -1.41 0.00 0.00 57.07 55.78 1t1y s TYR 67 Cb -0.12 0.23 0.03 0.00 -1.10 0.00 0.00 41.96 41.01 1t1y s TYR 67 CO 0.03 -0.60 0.38 -0.08 -2.51 0.00 0.00 175.55 172.77 1t1y s THR 68 N -2.76 0.05 0.28 -3.49 -1.32 -0.71 -1.51 115.64 106.19 1t1y s THR 68 Ca -0.03 -0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 59.72 1t1y s THR 68 Cb -0.00 -0.79 -0.09 0.00 -1.51 0.00 0.00 72.50 70.11 1t1y s THR 68 CO -0.04 -0.24 1.03 -0.70 -2.21 0.00 0.00 174.62 172.46 1t1y s GLU 69 N -1.73 4.68 0.16 7.08 2.12 -1.26 -0.28 118.70 129.46 1t1y s GLU 69 Ca -0.10 1.66 -0.23 0.00 0.36 0.00 0.00 54.97 56.65 1t1y s GLU 69 Cb -0.03 -3.15 0.07 0.00 0.26 0.00 0.00 34.13 31.27 1t1y s GLU 69 CO 0.03 0.29 0.65 -0.59 -0.54 0.00 0.00 175.26 175.10 1t1y s PHE 70 N -1.23 -0.47 -0.26 5.30 -0.71 -0.52 -4.85 117.98 115.24 1t1y s PHE 70 Ca 0.45 0.24 0.01 0.00 -1.04 0.00 0.00 56.93 56.59 1t1y s PHE 70 Cb -0.29 0.58 0.07 0.00 -1.21 0.00 0.00 43.02 42.17 1t1y s PHE 70 CO 0.36 -0.86 -0.02 0.99 -1.34 0.00 0.00 175.22 174.34 1t1y s THR 71 N -3.70 1.62 0.60 -4.49 2.01 -1.26 0.02 115.64 110.44 1t1y s THR 71 Ca 0.03 -1.45 -0.19 0.00 0.31 0.00 0.00 61.69 60.39 1t1y s THR 71 Cb -0.02 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1t1y s THR 71 CO -0.10 -0.24 1.24 -2.16 -0.69 0.00 0.00 174.62 172.67 1t1y s PRO 72 N 1.32 2.91 0.24 4.92 0.04 -1.26 -4.78 135.00 138.39 1t1y s PRO 72 Ca -0.02 1.91 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1t1y s PRO 72 Cb -0.19 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1t1y s PRO 72 CO -0.09 -1.27 0.10 0.95 0.04 0.00 0.00 177.00 176.74 1t1y s THR 73 N -1.52 0.42 0.16 1.26 -4.23 -1.26 -1.54 115.64 108.92 1t1y s THR 73 Ca 0.78 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.51 1t1y s THR 73 Cb -0.33 -2.60 0.20 0.00 1.34 0.00 0.00 72.50 71.11 1t1y s THR 73 CO 0.36 -0.00 1.81 -0.08 -0.54 0.00 0.00 174.62 176.16 1t1y h GLU 74 N 2.44 0.00 0.00 3.99 4.81 -1.99 -3.37 114.58 120.47 1t1y h GLU 74 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1t1y h GLU 74 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1t1y h GLU 74 CO 0.59 0.27 -0.67 0.36 -0.73 0.00 0.00 179.01 178.83 1t1y n LYS 75 N -3.46 0.47 -1.49 1.92 2.85 -1.26 -4.98 118.16 112.21 1t1y n LYS 75 Ca -0.00 0.42 -0.48 0.00 -1.05 0.00 0.00 58.31 57.20 1t1y n LYS 75 Cb 0.44 -1.60 -0.03 0.00 -0.65 0.00 0.00 35.03 33.20 1t1y n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1t1y n ASP 76 N -4.55 0.01 -4.52 -5.58 8.00 -1.26 -4.98 116.55 103.68 1t1y n ASP 76 Ca -0.09 1.15 -0.33 0.00 0.71 0.00 0.00 54.79 56.23 1t1y n ASP 76 Cb 0.35 -1.09 -0.12 0.00 -0.02 0.00 0.00 41.12 40.23 1t1y n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1t1y s GLU 77 N -1.03 2.51 0.11 -1.24 0.41 -1.26 -4.72 118.70 113.47 1t1y s GLU 77 Ca 0.65 -0.71 0.07 0.00 -0.41 0.00 0.00 54.97 54.58 1t1y s GLU 77 Cb -0.87 -2.42 -0.04 0.00 -1.78 0.00 0.00 34.13 29.02 1t1y s GLU 77 CO 0.57 0.62 -0.18 0.71 -0.49 0.00 0.00 175.26 176.48 1t1y s TYR 78 N -0.84 1.66 0.25 1.61 2.02 -1.26 -0.80 117.35 119.99 1t1y s TYR 78 Ca 0.13 -0.45 -0.22 0.00 -0.37 0.00 0.00 57.07 56.16 1t1y s TYR 78 Cb -0.11 -0.89 0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1t1y s TYR 78 CO 0.03 0.20 0.77 0.00 -1.57 0.00 0.00 175.55 174.98 1t1y s ALA 79 N -1.48 -1.32 -0.10 3.71 0.00 -1.02 -0.25 121.76 121.30 1t1y s ALA 79 Ca 0.07 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1t1y s ALA 79 Cb -0.08 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1t1y s ALA 79 CO 0.04 -1.03 -0.19 0.00 0.00 0.00 0.00 175.76 174.58 1t1y s ARG 81 N 0.63 3.61 -0.06 0.00 3.52 0.16 -1.32 118.95 125.49 1t1y s ARG 81 Ca -0.13 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 1t1y s ARG 81 Cb -0.16 -3.14 -0.00 0.00 -1.56 0.00 0.00 34.95 30.08 1t1y s ARG 81 CO 0.04 -0.05 -0.21 0.08 -0.81 0.00 0.00 175.30 174.35 1t1y s VAL 82 N 1.19 1.72 -0.02 7.11 1.01 0.42 -0.92 120.40 130.91 1t1y s VAL 82 Ca 0.03 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1t1y s VAL 82 Cb -0.14 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1t1y s VAL 82 CO 0.02 0.49 -0.13 0.21 0.00 0.00 0.00 175.10 175.68 1t1y s ASN 83 N 0.04 1.60 0.09 3.32 2.47 -0.33 0.35 114.94 122.48 1t1y s ASN 83 Ca -0.06 -0.25 -0.15 0.00 0.42 0.00 0.00 52.86 52.81 1t1y s ASN 83 Cb -0.13 -0.28 0.03 0.00 -1.45 0.00 0.00 41.25 39.41 1t1y s ASN 83 CO 0.04 0.14 0.36 -2.28 -3.72 0.00 0.00 177.10 171.64 1t1y s HIS 84 N -0.13 -0.16 0.52 0.43 5.65 -1.26 -1.58 115.29 118.75 1t1y s HIS 84 Ca 0.02 -0.07 0.24 0.00 0.25 0.00 0.00 55.06 55.50 1t1y s HIS 84 Cb -0.07 0.18 1.35 0.00 -1.18 0.00 0.00 32.58 32.86 1t1y s HIS 84 CO 0.00 -0.61 1.98 -0.24 -0.65 0.00 0.00 174.74 175.21 1t1y h VAL 85 N 2.72 0.73 0.00 0.89 3.04 -1.95 0.29 116.25 121.97 1t1y h VAL 85 Ca -0.33 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1t1y h VAL 85 Cb 1.23 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1t1y h VAL 85 CO 0.47 0.01 0.00 0.35 -1.01 0.00 0.00 177.57 177.39 1t1y n THR 86 N -4.39 0.42 -3.98 3.17 -2.24 -1.26 -4.76 114.28 101.24 1t1y n THR 86 Ca 0.11 0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.65 1t1y n THR 86 Cb 0.62 -0.72 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1t1y n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1t1y s LEU 87 N -2.91 3.68 0.28 3.22 1.43 0.10 -4.98 118.68 119.51 1t1y s LEU 87 Ca 0.13 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1t1y s LEU 87 Cb 0.15 -1.94 0.38 0.00 0.03 0.00 0.00 46.19 44.80 1t1y s LEU 87 CO 0.40 0.12 1.93 0.28 0.23 0.00 0.00 176.35 179.31 1t1y h SER 88 N 7.10 0.99 -5.19 2.29 0.02 -1.86 -3.43 113.55 113.47 1t1y h SER 88 Ca -0.36 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.43 1t1y h SER 88 Cb 1.17 -0.25 -0.15 0.00 0.14 0.00 0.00 62.40 63.31 1t1y h SER 88 CO 0.66 0.75 -0.55 0.00 -1.14 0.00 0.00 176.83 176.55 1t1y s GLN 89 N -5.88 0.70 0.33 3.45 -2.07 -1.26 -5.13 119.66 109.80 1t1y s GLN 89 Ca -0.12 -1.08 -0.28 0.00 -1.82 0.00 0.00 55.36 52.06 1t1y s GLN 89 Cb 0.17 0.26 -0.12 0.00 -1.09 0.00 0.00 33.01 32.23 1t1y s GLN 89 CO 0.80 -0.17 1.28 -2.30 -1.32 0.00 0.00 175.29 173.58 1t1y n PRO 90 N 0.10 2.09 -3.74 9.60 -0.02 -1.26 -4.91 135.00 136.87 1t1y n PRO 90 Ca -0.15 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 1t1y n PRO 90 Cb 0.61 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 1t1y n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1t1y s LYS 91 N -1.80 4.14 -0.17 -0.52 2.20 0.16 -4.89 119.74 118.86 1t1y s LYS 91 Ca 0.56 -0.21 -0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1t1y s LYS 91 Cb -0.58 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.32 1t1y s LYS 91 CO 0.62 0.33 -0.06 0.42 -0.36 0.00 0.00 175.35 176.29 1t1y s ILE 92 N 0.27 3.56 -0.17 5.43 -1.09 -1.26 -0.44 121.20 127.50 1t1y s ILE 92 Ca 0.09 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.05 1t1y s ILE 92 Cb -0.11 -2.56 0.03 0.00 -1.58 0.00 0.00 42.46 38.24 1t1y s ILE 92 CO -0.02 0.48 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.35 1t1y s VAL 93 N 0.64 1.70 0.36 2.92 1.01 -0.44 -4.97 120.40 121.63 1t1y s VAL 93 Ca -0.04 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 60.85 1t1y s VAL 93 Cb -0.15 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.48 1t1y s VAL 93 CO 0.02 0.36 0.96 -0.54 0.00 0.00 0.00 175.10 175.90 1t1y s LYS 94 N 1.41 4.46 0.07 2.72 1.02 -1.26 -0.71 119.74 127.45 1t1y s LYS 94 Ca 0.02 1.30 -0.30 0.00 0.02 0.00 0.00 55.97 57.01 1t1y s LYS 94 Cb -0.14 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1t1y s LYS 94 CO -0.10 0.17 1.12 -0.46 -0.92 0.00 0.00 175.35 175.16 1t1y s TRP 95 N -1.75 3.53 -0.18 3.18 -0.00 0.66 -4.88 118.94 119.49 1t1y s TRP 95 Ca 0.54 1.46 0.01 0.00 -0.00 0.00 0.00 56.10 58.11 1t1y s TRP 95 Cb -0.17 -3.31 0.02 0.00 -0.00 0.00 0.00 33.47 30.01 1t1y s TRP 95 CO 0.22 -0.81 -0.19 0.34 -0.00 0.00 0.00 176.95 176.50 1t1y s ASP 96 N 0.81 3.20 0.44 5.86 -1.08 -1.26 -4.77 116.67 119.87 1t1y s ASP 96 Ca 0.55 -0.66 0.18 0.00 -0.52 0.00 0.00 52.55 52.10 1t1y s ASP 96 Cb -0.27 -1.49 1.12 0.00 -1.46 0.00 0.00 42.92 40.82 1t1y s ASP 96 CO 0.30 -0.01 1.91 0.03 0.52 0.00 0.00 175.17 177.93 1t1y h ARG 97 N 7.94 0.33 -0.40 4.34 3.08 -1.95 -1.71 114.38 126.02 1t1y h ARG 97 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1t1y h ARG 97 Cb 1.14 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1t1y h ARG 97 CO 0.63 0.22 0.00 -0.25 -1.07 0.00 0.00 179.97 179.50 1t1y n ASP 98 N -4.46 1.71 0.00 7.04 8.00 -1.26 -4.81 116.55 122.77 1t1y n ASP 98 Ca 0.15 -2.08 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1t1y n ASP 98 Cb 0.60 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1t1y n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04