#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c9n s GLN 2 N 0.00 2.47 -0.03 6.28 -0.21 -1.26 -4.43 119.66 122.47 3c9n s GLN 2 Ca 0.00 -0.88 0.04 0.00 0.02 0.00 0.00 55.36 54.53 3c9n s GLN 2 Cb 0.00 -2.10 -0.00 0.00 1.00 0.00 0.00 33.01 31.91 3c9n s GLN 2 CO 0.00 0.38 -0.14 1.03 -2.12 0.00 0.00 175.29 174.44 3c9n s ARG 3 N -0.16 1.39 0.18 2.91 0.52 0.36 -4.92 118.95 119.23 3c9n s ARG 3 Ca -0.03 -0.48 -0.22 0.00 -0.52 0.00 0.00 55.73 54.48 3c9n s ARG 3 Cb -0.13 -1.25 -0.08 0.00 0.52 0.00 0.00 34.95 34.01 3c9n s ARG 3 CO 0.03 0.20 0.73 -0.08 0.02 0.00 0.00 175.30 176.20 3c9n s THR 4 N 0.07 4.49 0.29 0.02 -1.32 -1.26 -1.55 115.64 116.38 3c9n s THR 4 Ca -0.03 1.47 -0.29 0.00 -1.21 0.00 0.00 61.69 61.63 3c9n s THR 4 Cb -0.10 -3.99 -0.10 0.00 -1.51 0.00 0.00 72.50 66.80 3c9n s THR 4 CO 0.01 0.40 1.42 -2.16 -2.21 0.00 0.00 174.62 172.08 3c9n s PRO 5 N -1.49 4.26 0.37 7.08 0.04 -1.26 -4.37 135.00 139.63 3c9n s PRO 5 Ca 0.38 2.33 -0.15 0.00 0.04 0.00 0.00 61.00 63.60 3c9n s PRO 5 Cb -0.20 -3.08 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 3c9n s PRO 5 CO 0.23 -0.39 0.80 0.15 0.04 0.00 0.00 177.00 177.83 3c9n s LYS 6 N -0.94 4.00 -0.02 4.56 1.02 0.14 -4.91 119.74 123.58 3c9n s LYS 6 Ca 0.56 0.73 0.00 0.00 0.02 0.00 0.00 55.97 57.29 3c9n s LYS 6 Cb -0.42 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 3c9n s LYS 6 CO 0.48 0.06 0.01 0.42 -0.92 0.00 0.00 175.35 175.40 3c9n s ILE 7 N -2.14 0.08 -0.04 2.17 1.01 -1.26 -1.20 121.20 119.83 3c9n s ILE 7 Ca 0.55 0.12 0.02 0.00 0.00 0.00 0.00 60.65 61.34 3c9n s ILE 7 Cb -0.10 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.20 3c9n s ILE 7 CO 0.20 0.11 -0.09 -1.10 0.00 0.00 0.00 174.94 174.06 3c9n s GLN 8 N 0.90 1.14 -0.12 2.79 -0.21 -0.67 -5.00 119.66 118.49 3c9n s GLN 8 Ca -0.08 -0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.02 3c9n s GLN 8 Cb -0.12 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.86 3c9n s GLN 8 CO -0.02 0.06 -0.21 0.08 -2.12 0.00 0.00 175.29 173.09 3c9n s VAL 9 N 0.43 2.28 0.09 1.09 1.01 -1.26 -0.75 120.40 123.30 3c9n s VAL 9 Ca -0.08 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 3c9n s VAL 9 Cb -0.12 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.44 3c9n s VAL 9 CO 0.01 0.54 1.03 -0.72 0.00 0.00 0.00 175.10 175.97 3c9n s TYR 10 N 0.56 -0.14 0.19 5.22 1.13 -0.70 -4.53 117.35 119.08 3c9n s TYR 10 Ca -0.12 -0.10 0.04 0.00 -1.41 0.00 0.00 57.07 55.48 3c9n s TYR 10 Cb -0.17 0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 3c9n s TYR 10 CO 0.04 -0.66 0.27 -1.54 -2.51 0.00 0.00 175.55 171.15 3c9n s SER 11 N -2.87 6.12 0.11 -0.18 1.04 -1.26 -0.22 113.70 116.43 3c9n s SER 11 Ca 0.12 0.05 -0.19 0.00 0.48 0.00 0.00 55.95 56.41 3c9n s SER 11 Cb 0.00 -1.77 -0.06 0.00 0.10 0.00 0.00 66.02 64.29 3c9n s SER 11 CO -0.01 0.01 1.65 -0.09 0.98 0.00 0.00 173.24 175.79 3c9n h ARG 12 N 1.86 0.38 -6.17 4.02 2.43 -1.60 -3.44 114.38 111.87 3c9n h ARG 12 Ca -0.49 -0.07 -0.57 0.00 -0.81 0.00 0.00 59.98 58.04 3c9n h ARG 12 Cb 1.21 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 30.59 3c9n h ARG 12 CO 0.65 0.41 -0.65 -1.01 -1.51 0.00 0.00 179.97 177.86 3c9n s HIS 13 N -5.58 2.61 0.50 2.20 3.76 -1.26 -5.03 115.29 112.48 3c9n s HIS 13 Ca -0.13 -0.28 -0.23 0.00 -0.15 0.00 0.00 55.06 54.26 3c9n s HIS 13 Cb 0.08 -1.23 -0.06 0.00 1.11 0.00 0.00 32.58 32.48 3c9n s HIS 13 CO 0.72 0.60 1.39 -1.25 -0.85 0.00 0.00 174.74 175.36 3c9n s PRO 14 N -3.66 3.40 0.05 8.40 0.04 -1.26 -4.88 135.00 137.08 3c9n s PRO 14 Ca 0.32 2.33 -0.30 0.00 0.04 0.00 0.00 61.00 63.38 3c9n s PRO 14 Cb -0.05 -2.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 3c9n s PRO 14 CO 0.19 -1.02 1.19 0.00 0.04 0.00 0.00 177.00 177.41 3c9n s ALA 15 N -1.25 3.39 -0.30 8.56 0.00 -1.26 -5.01 121.76 125.89 3c9n s ALA 15 Ca 0.66 0.82 0.02 0.00 0.00 0.00 0.00 51.96 53.46 3c9n s ALA 15 Cb -0.42 -3.45 0.09 0.00 0.00 0.00 0.00 23.12 19.34 3c9n s ALA 15 CO 0.52 -0.46 0.03 -1.21 0.00 0.00 0.00 175.76 174.63 3c9n s GLU 16 N 1.19 1.37 -0.11 0.00 0.41 -1.26 -5.11 118.70 115.18 3c9n s GLU 16 Ca 0.58 -1.45 -0.33 0.00 -0.41 0.00 0.00 54.97 53.37 3c9n s GLU 16 Cb -0.29 -2.74 -0.16 0.00 -1.78 0.00 0.00 34.13 29.17 3c9n s GLU 16 CO 0.28 -0.85 0.95 0.09 -0.49 0.00 0.00 175.26 175.25 3c9n n ASN 17 N 4.51 0.26 0.00 -0.19 3.02 -1.26 -0.33 115.26 121.27 3c9n n ASN 17 Ca -0.02 0.91 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 3c9n n ASN 17 Cb 0.42 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 3c9n n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c9n n GLY 18 N 1.73 2.09 3.62 7.41 0.00 0.18 -4.96 105.19 115.27 3c9n n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3c9n n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c9n s LYS 19 N -0.12 3.61 0.30 1.61 -0.14 0.55 -4.97 119.74 120.57 3c9n s LYS 19 Ca 0.00 -0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 53.92 3c9n s LYS 19 Cb 0.00 -3.02 -0.12 0.00 -1.68 0.00 0.00 37.83 33.01 3c9n s LYS 19 CO 0.00 0.41 1.41 0.45 -0.76 0.00 0.00 175.35 176.86 3c9n n SER 20 N 3.08 3.07 -1.21 2.83 2.88 -1.26 -4.16 113.62 118.84 3c9n n SER 20 Ca -0.17 1.17 -0.02 0.00 -1.33 0.00 0.00 58.87 58.52 3c9n n SER 20 Cb 0.53 -1.50 -0.00 0.00 -0.75 0.00 0.00 64.21 62.49 3c9n n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3c9n n ASN 21 N 1.50 -0.15 -4.13 -3.46 2.85 0.15 -4.98 115.26 107.03 3c9n n ASN 21 Ca 0.08 -1.20 -0.26 0.00 -0.11 0.00 0.00 54.58 53.08 3c9n n ASN 21 Cb 0.35 0.28 -0.16 0.00 1.24 0.00 0.00 39.78 41.48 3c9n n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3c9n s PHE 22 N -4.99 1.77 -0.20 1.20 0.40 -1.26 -1.21 117.98 113.69 3c9n s PHE 22 Ca 0.03 -0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 55.67 3c9n s PHE 22 Cb -0.00 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 3c9n s PHE 22 CO 0.02 -0.20 0.33 -1.17 0.70 0.00 0.00 175.22 174.90 3c9n s LEU 23 N 0.15 4.16 -0.01 -0.37 2.96 0.25 -1.36 118.68 124.45 3c9n s LEU 23 Ca -0.07 0.43 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 3c9n s LEU 23 Cb -0.13 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 3c9n s LEU 23 CO 0.03 -0.02 -0.16 0.20 -1.32 0.00 0.00 176.35 175.08 3c9n s ASN 24 N 0.95 3.92 -0.18 3.68 0.01 0.69 -1.98 114.94 122.04 3c9n s ASN 24 Ca 0.16 -0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 52.02 3c9n s ASN 24 Cb -0.14 -0.75 0.05 0.00 0.41 0.00 0.00 41.25 40.82 3c9n s ASN 24 CO 0.07 0.31 -0.05 0.00 -1.51 0.00 0.00 177.10 175.91 3c9n s TYR 26 N 1.59 3.14 -0.11 0.00 5.04 0.08 -1.39 117.35 125.71 3c9n s TYR 26 Ca -0.01 -0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 54.10 3c9n s TYR 26 Cb -0.16 -2.30 -0.03 0.00 0.35 0.00 0.00 41.96 39.82 3c9n s TYR 26 CO -0.08 -0.42 -0.07 0.14 -1.34 0.00 0.00 175.55 173.79 3c9n s VAL 27 N 1.61 3.63 0.26 3.14 -7.23 -0.27 -1.67 120.40 119.88 3c9n s VAL 27 Ca 0.05 -0.48 -0.12 0.00 -1.81 0.00 0.00 61.98 59.63 3c9n s VAL 27 Cb -0.16 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.25 3c9n s VAL 27 CO 0.05 0.55 0.49 -0.94 -0.31 0.00 0.00 175.10 174.94 3c9n s SER 28 N -0.19 0.03 -0.65 4.85 1.04 -0.34 -1.53 113.70 116.91 3c9n s SER 28 Ca 0.02 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.45 3c9n s SER 28 Cb -0.13 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.60 3c9n s SER 28 CO 0.03 -1.18 0.00 0.61 0.98 0.00 0.00 173.24 173.68 3c9n n GLY 29 N -0.41 0.85 3.73 7.32 0.00 -0.78 0.29 105.19 116.18 3c9n n GLY 29 Ca -0.02 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 3c9n n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3c9n s PHE 30 N -2.19 2.94 -0.28 1.61 -0.71 -1.19 -4.29 117.98 113.87 3c9n s PHE 30 Ca 0.00 -0.13 -0.19 0.00 -1.04 0.00 0.00 56.93 55.57 3c9n s PHE 30 Cb 0.00 -1.37 0.09 0.00 -1.21 0.00 0.00 43.02 40.54 3c9n s PHE 30 CO 0.00 0.54 0.78 -1.58 -1.34 0.00 0.00 175.22 173.63 3c9n s HIS 31 N -1.99 -0.85 0.38 3.49 2.46 -0.60 -1.07 115.29 117.11 3c9n s HIS 31 Ca 0.31 1.81 -0.06 0.00 0.47 0.00 0.00 55.06 57.59 3c9n s HIS 31 Cb -0.08 0.47 0.09 0.00 -0.13 0.00 0.00 32.58 32.93 3c9n s HIS 31 CO 0.22 -0.42 0.40 -0.35 -2.47 0.00 0.00 174.74 172.11 3c9n n PRO 32 N 3.61 -1.19 0.17 2.88 -0.04 -1.26 -0.48 135.00 138.68 3c9n n PRO 32 Ca -0.18 -0.63 0.12 0.00 -0.04 0.00 0.00 63.50 62.78 3c9n n PRO 32 Cb 0.57 -0.51 0.14 0.00 -0.04 0.00 0.00 33.50 33.67 3c9n n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3c9n h SER 33 N -1.17 0.00 -2.98 3.54 4.64 -2.00 -3.45 113.55 112.14 3c9n h SER 33 Ca -0.14 -0.01 -0.53 0.00 -0.47 0.00 0.00 61.79 60.64 3c9n h SER 33 Cb 0.41 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3c9n h SER 33 CO 0.09 0.00 0.75 -1.81 -0.87 0.00 0.00 176.83 175.00 3c9n s ASP 34 N -5.77 6.84 -0.10 4.97 1.01 -1.26 -4.99 116.67 117.37 3c9n s ASP 34 Ca 0.05 2.26 -0.21 0.00 0.71 0.00 0.00 52.55 55.36 3c9n s ASP 34 Cb 0.07 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.47 3c9n s ASP 34 CO 0.70 -0.67 0.51 -0.51 0.21 0.00 0.00 175.17 175.41 3c9n s ILE 35 N 1.50 0.02 -0.25 0.77 2.07 -1.26 -4.63 121.20 119.41 3c9n s ILE 35 Ca 0.64 -0.15 -0.05 0.00 -1.41 0.00 0.00 60.65 59.69 3c9n s ILE 35 Cb -0.35 -0.78 -0.00 0.00 0.13 0.00 0.00 42.46 41.46 3c9n s ILE 35 CO 0.29 -0.08 0.01 -1.61 -1.91 0.00 0.00 174.94 171.65 3c9n s GLU 36 N -0.66 3.25 -0.15 3.50 2.02 0.28 -4.99 118.70 121.94 3c9n s GLU 36 Ca -0.08 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3c9n s GLU 36 Cb -0.03 -3.18 0.02 0.00 0.10 0.00 0.00 34.13 31.05 3c9n s GLU 36 CO 0.05 -0.31 -0.13 0.08 0.02 0.00 0.00 175.26 174.97 3c9n s VAL 37 N 1.48 1.47 0.01 2.63 1.01 -1.26 0.11 120.40 125.86 3c9n s VAL 37 Ca 0.04 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.51 3c9n s VAL 37 Cb -0.16 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3c9n s VAL 37 CO -0.00 0.42 -0.26 -1.81 0.00 0.00 0.00 175.10 173.44 3c9n s ASP 38 N 1.52 3.08 -0.14 3.32 1.01 0.13 -4.96 116.67 120.64 3c9n s ASP 38 Ca 0.05 -0.53 -0.18 0.00 0.71 0.00 0.00 52.55 52.60 3c9n s ASP 38 Cb -0.13 -0.31 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 3c9n s ASP 38 CO -0.10 0.29 0.46 -0.76 0.21 0.00 0.00 175.17 175.27 3c9n s LEU 39 N -0.92 4.25 -0.07 1.23 1.43 -1.26 0.19 118.68 123.53 3c9n s LEU 39 Ca 0.11 0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 53.95 3c9n s LEU 39 Cb -0.10 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3c9n s LEU 39 CO 0.01 -0.02 0.01 -0.76 0.23 0.00 0.00 176.35 175.82 3c9n s LEU 40 N 0.79 3.62 -0.33 1.79 1.43 0.18 -1.06 118.68 125.10 3c9n s LEU 40 Ca 0.25 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 3c9n s LEU 40 Cb -0.15 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.27 3c9n s LEU 40 CO 0.10 0.36 0.03 -0.75 0.23 0.00 0.00 176.35 176.31 3c9n s LYS 41 N -1.07 1.49 -1.07 1.70 2.20 0.20 -1.62 119.74 121.58 3c9n s LYS 41 Ca 0.15 -1.72 -0.05 0.00 -0.36 0.00 0.00 55.97 53.99 3c9n s LYS 41 Cb -0.11 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 33.17 3c9n s LYS 41 CO 0.05 -0.90 0.92 0.09 -0.36 0.00 0.00 175.35 175.15 3c9n n ASN 42 N 4.34 -4.43 0.00 1.43 3.02 -0.16 -2.93 115.26 116.52 3c9n n ASN 42 Ca 0.01 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 3c9n n ASN 42 Cb 0.42 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 3c9n n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3c9n n GLY 43 N -1.53 2.50 3.69 7.41 0.00 -1.26 -5.02 105.19 110.97 3c9n n GLY 43 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3c9n n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3c9n s GLU 44 N -0.21 3.07 0.02 1.61 2.02 -1.15 -5.00 118.70 119.06 3c9n s GLU 44 Ca 0.00 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.30 3c9n s GLU 44 Cb 0.00 -2.84 -0.07 0.00 0.10 0.00 0.00 34.13 31.31 3c9n s GLU 44 CO 0.00 0.69 1.70 0.50 0.02 0.00 0.00 175.26 178.16 3c9n s ARG 45 N -0.83 4.18 0.37 1.61 3.52 -1.26 -0.63 118.95 125.92 3c9n s ARG 45 Ca 0.13 2.32 -0.24 0.00 -0.13 0.00 0.00 55.73 57.81 3c9n s ARG 45 Cb -0.11 -3.81 -0.10 0.00 -1.56 0.00 0.00 34.95 29.37 3c9n s ARG 45 CO 0.02 -0.80 0.95 -1.50 -0.81 0.00 0.00 175.30 173.17 3c9n s ILE 46 N 3.36 4.24 -0.22 4.11 1.10 -0.22 -4.90 121.20 128.67 3c9n s ILE 46 Ca 0.76 1.66 -0.19 0.00 -0.51 0.00 0.00 60.65 62.37 3c9n s ILE 46 Cb -0.38 -3.83 -0.16 0.00 0.15 0.00 0.00 42.46 38.25 3c9n s ILE 46 CO 0.33 -0.05 0.02 -0.62 -2.11 0.00 0.00 174.94 172.52 3c9n n GLU 47 N 0.05 0.56 -2.18 3.50 1.02 -1.26 -4.59 120.64 117.74 3c9n n GLU 47 Ca 0.04 0.49 -0.39 0.00 -0.02 0.00 0.00 57.16 57.28 3c9n n GLU 47 Cb 0.52 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.27 3c9n n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3c9n n LYS 48 N -4.41 4.29 -3.18 3.49 4.81 -1.26 -4.97 118.16 116.94 3c9n n LYS 48 Ca -0.35 -3.82 -0.39 0.00 -0.87 0.00 0.00 58.31 52.88 3c9n n LYS 48 Cb 0.69 -2.43 -0.05 0.00 0.02 0.00 0.00 35.03 33.26 3c9n n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3c9n s VAL 49 N -3.39 5.00 0.38 3.15 1.01 -1.26 -4.90 120.40 120.39 3c9n s VAL 49 Ca 0.48 1.25 0.07 0.00 0.00 0.00 0.00 61.98 63.78 3c9n s VAL 49 Cb 0.26 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3c9n s VAL 49 CO -0.19 0.35 0.47 -1.61 0.00 0.00 0.00 175.10 174.13 3c9n s GLU 50 N 0.24 2.85 0.10 2.72 8.01 -0.79 -4.94 118.70 126.89 3c9n s GLU 50 Ca 0.32 -1.23 -0.09 0.00 0.01 0.00 0.00 54.97 53.98 3c9n s GLU 50 Cb -0.17 -2.68 -0.00 0.00 -4.31 0.00 0.00 34.13 26.96 3c9n s GLU 50 CO 0.16 -0.12 0.21 -3.38 0.01 0.00 0.00 175.26 172.14 3c9n s HIS 51 N -2.32 0.21 0.93 1.61 -3.43 -1.26 -1.46 115.29 109.57 3c9n s HIS 51 Ca 0.49 -0.62 -0.12 0.00 -0.80 0.00 0.00 55.06 54.02 3c9n s HIS 51 Cb -0.08 -0.06 0.15 0.00 -1.43 0.00 0.00 32.58 31.16 3c9n s HIS 51 CO 0.31 -0.58 1.09 -1.54 -2.00 0.00 0.00 174.74 172.02 3c9n s SER 52 N -2.88 3.13 0.37 7.38 1.04 -0.04 -4.99 113.70 117.71 3c9n s SER 52 Ca 0.08 1.51 -0.25 0.00 0.48 0.00 0.00 55.95 57.76 3c9n s SER 52 Cb 0.05 -2.18 -0.09 0.00 0.10 0.00 0.00 66.02 63.90 3c9n s SER 52 CO -0.09 -2.86 1.06 -1.81 0.98 0.00 0.00 173.24 170.53 3c9n s ASP 53 N -3.29 6.87 0.03 7.02 1.01 -1.26 -4.79 116.67 122.26 3c9n s ASP 53 Ca 0.64 2.11 -0.32 0.00 0.71 0.00 0.00 52.55 55.69 3c9n s ASP 53 Cb -0.19 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.03 3c9n s ASP 53 CO 0.58 -0.41 1.87 -0.11 0.21 0.00 0.00 175.17 177.30 3c9n n LEU 54 N 0.25 3.77 0.00 1.23 7.94 -1.26 -4.94 117.00 123.99 3c9n n LEU 54 Ca 0.03 0.97 -0.20 0.00 -1.11 0.00 0.00 56.01 55.70 3c9n n LEU 54 Cb 0.48 -1.47 -0.07 0.00 0.53 0.00 0.00 43.42 42.90 3c9n n LEU 54 CO 0.47 0.06 -0.12 -0.24 -1.11 0.00 0.00 177.39 176.45 3c9n n SER 55 N 6.33 0.38 -3.82 1.96 2.88 -1.23 -5.06 113.62 115.06 3c9n n SER 55 Ca 0.20 -2.92 -0.09 0.00 -1.33 0.00 0.00 58.87 54.73 3c9n n SER 55 Cb 0.35 1.16 -0.07 0.00 -0.75 0.00 0.00 64.21 64.90 3c9n n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3c9n s PHE 56 N -3.03 0.10 0.73 0.66 -0.12 -1.26 -2.04 117.98 113.01 3c9n s PHE 56 Ca 0.26 -0.51 -0.03 0.00 -0.05 0.00 0.00 56.93 56.60 3c9n s PHE 56 Cb 0.01 -0.01 0.12 0.00 -0.63 0.00 0.00 43.02 42.52 3c9n s PHE 56 CO 0.18 -0.57 1.01 -1.12 -0.05 0.00 0.00 175.22 174.67 3c9n s SER 57 N -2.85 4.32 0.55 1.98 0.01 -0.04 -4.93 113.70 112.75 3c9n s SER 57 Ca 0.05 -0.21 0.28 0.00 1.31 0.00 0.00 55.95 57.38 3c9n s SER 57 Cb 0.04 -0.20 1.62 0.00 0.21 0.00 0.00 66.02 67.69 3c9n s SER 57 CO -0.11 -1.88 2.16 0.11 0.41 0.00 0.00 173.24 173.94 3c9n h LYS 58 N -0.60 0.00 -0.42 12.44 1.57 -2.03 0.60 116.57 128.12 3c9n h LYS 58 Ca -0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3c9n h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 3c9n h LYS 58 CO 0.42 0.06 0.00 -0.40 -0.57 0.00 0.00 179.45 178.96 3c9n n ASP 59 N -3.79 1.87 0.00 0.86 5.75 -1.26 -4.91 116.55 115.07 3c9n n ASP 59 Ca -0.02 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.67 3c9n n ASP 59 Cb 0.16 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 3c9n n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3c9n n TRP 60 N 0.33 0.00 -2.58 2.11 7.02 0.20 -5.02 117.44 119.50 3c9n n TRP 60 Ca 0.10 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.22 3c9n n TRP 60 Cb 0.33 -0.09 -0.04 0.00 -2.42 0.00 0.00 31.31 29.09 3c9n n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3c9n s SER 61 N -3.60 6.73 0.47 -0.99 1.04 -1.26 -4.67 113.70 111.41 3c9n s SER 61 Ca 0.00 1.98 -0.08 0.00 0.48 0.00 0.00 55.95 58.33 3c9n s SER 61 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.49 3c9n s SER 61 CO 0.00 -0.51 0.81 -0.36 0.98 0.00 0.00 173.24 174.16 3c9n s PHE 62 N -1.75 3.53 -0.01 5.02 0.08 -0.23 -0.86 117.98 123.76 3c9n s PHE 62 Ca 0.59 0.99 -0.08 0.00 0.12 0.00 0.00 56.93 58.55 3c9n s PHE 62 Cb -0.20 -2.42 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 3c9n s PHE 62 CO 0.25 -0.25 0.17 1.52 -0.10 0.00 0.00 175.22 176.81 3c9n s TYR 63 N -2.63 -0.03 -0.07 0.36 -0.85 -0.87 -1.87 117.35 111.39 3c9n s TYR 63 Ca 0.50 0.03 -0.07 0.00 -0.52 0.00 0.00 57.07 57.01 3c9n s TYR 63 Cb -0.10 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.25 3c9n s TYR 63 CO 0.40 -0.27 0.20 -0.51 -1.52 0.00 0.00 175.55 173.84 3c9n s LEU 64 N -1.13 1.25 -0.26 -3.49 1.43 -0.58 -3.56 118.68 112.34 3c9n s LEU 64 Ca -0.12 0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 3c9n s LEU 64 Cb -0.06 0.70 -0.03 0.00 0.03 0.00 0.00 46.19 46.82 3c9n s LEU 64 CO 0.02 -0.10 0.10 -0.22 0.23 0.00 0.00 176.35 176.38 3c9n s LEU 65 N -0.02 3.62 -0.13 1.79 2.96 -1.26 -1.11 118.68 124.52 3c9n s LEU 65 Ca -0.01 -0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 3c9n s LEU 65 Cb -0.02 -1.98 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 3c9n s LEU 65 CO 0.00 -0.05 0.07 -0.31 -1.32 0.00 0.00 176.35 174.75 3c9n s TYR 66 N 1.65 3.35 -0.04 5.38 1.51 -0.48 -0.86 117.35 127.85 3c9n s TYR 66 Ca 0.06 0.27 -0.18 0.00 -1.01 0.00 0.00 57.07 56.21 3c9n s TYR 66 Cb -0.15 -1.95 0.04 0.00 -0.11 0.00 0.00 41.96 39.78 3c9n s TYR 66 CO 0.06 0.45 0.40 1.52 -1.11 0.00 0.00 175.55 176.87 3c9n s TYR 67 N -0.48 -0.32 -0.02 2.71 1.13 -0.54 -0.32 117.35 119.52 3c9n s TYR 67 Ca 0.10 0.57 -0.07 0.00 -1.41 0.00 0.00 57.07 56.26 3c9n s TYR 67 Cb -0.12 0.17 0.01 0.00 -1.10 0.00 0.00 41.96 40.92 3c9n s TYR 67 CO 0.02 -0.42 0.15 -0.08 -2.51 0.00 0.00 175.55 172.71 3c9n s THR 68 N -1.10 0.06 0.19 -3.49 -1.32 -0.84 -1.89 115.64 107.25 3c9n s THR 68 Ca -0.11 -0.47 -0.32 0.00 -1.21 0.00 0.00 61.69 59.57 3c9n s THR 68 Cb -0.04 -0.37 -0.12 0.00 -1.51 0.00 0.00 72.50 70.46 3c9n s THR 68 CO 0.05 -0.26 1.70 1.21 -2.21 0.00 0.00 174.62 175.12 3c9n n GLU 69 N 1.94 2.65 -4.03 7.08 2.13 -1.26 -0.58 120.64 128.56 3c9n n GLU 69 Ca -0.19 0.96 -0.10 0.00 0.66 0.00 0.00 57.16 58.48 3c9n n GLU 69 Cb 0.57 -2.79 -0.08 0.00 0.27 0.00 0.00 31.44 29.41 3c9n n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 3c9n s PHE 70 N 1.26 0.58 -0.29 4.31 -0.71 -0.35 -4.84 117.98 117.96 3c9n s PHE 70 Ca 0.77 -0.93 0.00 0.00 -1.04 0.00 0.00 56.93 55.73 3c9n s PHE 70 Cb -0.54 -0.16 0.09 0.00 -1.21 0.00 0.00 43.02 41.19 3c9n s PHE 70 CO 0.34 -0.72 0.04 0.99 -1.34 0.00 0.00 175.22 174.53 3c9n s THR 71 N -4.02 1.33 0.57 -4.49 2.01 -1.26 0.30 115.64 110.08 3c9n s THR 71 Ca 0.22 -1.49 -0.21 0.00 0.31 0.00 0.00 61.69 60.53 3c9n s THR 71 Cb 0.04 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 3c9n s THR 71 CO 0.03 -0.46 1.35 -2.16 -0.69 0.00 0.00 174.62 172.69 3c9n s PRO 72 N 1.42 2.99 0.22 4.92 0.04 -1.26 -4.72 135.00 138.62 3c9n s PRO 72 Ca 0.05 2.20 -0.03 0.00 0.04 0.00 0.00 61.00 63.26 3c9n s PRO 72 Cb -0.18 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 3c9n s PRO 72 CO -0.15 -1.29 0.23 0.95 0.04 0.00 0.00 177.00 176.78 3c9n s THR 73 N -1.32 0.00 0.05 1.26 -4.23 -1.26 0.51 115.64 110.65 3c9n s THR 73 Ca 0.74 -1.84 0.26 0.00 -1.18 0.00 0.00 61.69 59.67 3c9n s THR 73 Cb -0.40 -2.43 0.27 0.00 1.34 0.00 0.00 72.50 71.28 3c9n s THR 73 CO 0.46 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.28 3c9n h GLU 74 N 2.49 0.00 0.18 3.99 4.81 -1.98 -3.36 114.58 120.72 3c9n h GLU 74 Ca -0.33 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.89 3c9n h GLU 74 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3c9n h GLU 74 CO 0.47 0.17 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.61 3c9n h LYS 75 N 0.00 -0.24 -6.75 1.92 3.64 -2.00 -3.46 116.57 109.67 3c9n h LYS 75 Ca -0.00 0.02 -0.52 0.00 -1.27 0.00 0.00 60.65 58.87 3c9n h LYS 75 Cb 0.76 0.05 0.05 0.00 -0.41 0.00 0.00 32.23 32.68 3c9n h LYS 75 CO 0.02 -0.16 0.67 -0.51 -2.27 0.00 0.00 179.45 177.21 3c9n s ASP 76 N -4.02 6.81 0.12 4.20 1.01 -1.26 -5.03 116.67 118.51 3c9n s ASP 76 Ca -0.04 2.55 -0.06 0.00 0.71 0.00 0.00 52.55 55.71 3c9n s ASP 76 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 3c9n s ASP 76 CO 0.11 -0.57 0.38 -1.61 0.21 0.00 0.00 175.17 173.70 3c9n s GLU 77 N -0.67 3.66 0.04 8.23 2.02 -1.26 -4.75 118.70 125.96 3c9n s GLU 77 Ca 0.55 -0.01 0.04 0.00 0.02 0.00 0.00 54.97 55.57 3c9n s GLU 77 Cb -0.39 -2.88 -0.02 0.00 0.10 0.00 0.00 34.13 30.94 3c9n s GLU 77 CO 0.44 0.49 -0.11 0.71 0.02 0.00 0.00 175.26 176.80 3c9n s TYR 78 N -1.59 0.99 0.26 1.61 2.02 -1.26 -0.99 117.35 118.40 3c9n s TYR 78 Ca 0.39 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.60 3c9n s TYR 78 Cb -0.13 -0.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 3c9n s TYR 78 CO 0.22 0.00 0.51 0.00 -1.57 0.00 0.00 175.55 174.72 3c9n s ALA 79 N -0.90 -0.27 -0.09 3.71 0.00 -0.64 -0.10 121.76 123.47 3c9n s ALA 79 Ca -0.01 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.12 3c9n s ALA 79 Cb -0.08 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 3c9n s ALA 79 CO 0.01 -0.87 -0.24 0.00 0.00 0.00 0.00 175.76 174.66 3c9n s ARG 81 N 0.25 3.36 -0.08 0.00 3.52 0.50 -1.39 118.95 125.10 3c9n s ARG 81 Ca -0.16 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 54.82 3c9n s ARG 81 Cb -0.17 -2.84 -0.00 0.00 -1.56 0.00 0.00 34.95 30.38 3c9n s ARG 81 CO 0.08 -0.04 -0.21 0.08 -0.81 0.00 0.00 175.30 174.40 3c9n s VAL 82 N 1.02 1.82 0.00 7.11 1.01 0.68 0.22 120.40 132.27 3c9n s VAL 82 Ca -0.00 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.14 3c9n s VAL 82 Cb -0.15 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3c9n s VAL 82 CO -0.01 0.51 -0.19 0.21 0.00 0.00 0.00 175.10 175.62 3c9n s ASN 83 N 0.25 2.26 0.12 3.32 2.47 0.12 0.56 114.94 124.04 3c9n s ASN 83 Ca -0.13 -0.40 -0.10 0.00 0.42 0.00 0.00 52.86 52.65 3c9n s ASN 83 Cb -0.16 -0.23 0.00 0.00 -1.45 0.00 0.00 41.25 39.41 3c9n s ASN 83 CO 0.06 0.20 0.25 -2.28 -3.72 0.00 0.00 177.10 171.61 3c9n s HIS 84 N -0.56 0.18 0.50 0.43 5.65 -1.26 -0.55 115.29 119.67 3c9n s HIS 84 Ca 0.07 -0.58 0.25 0.00 0.25 0.00 0.00 55.06 55.05 3c9n s HIS 84 Cb -0.08 -0.01 1.50 0.00 -1.18 0.00 0.00 32.58 32.81 3c9n s HIS 84 CO 0.00 -0.62 2.14 -0.24 -0.65 0.00 0.00 174.74 175.36 3c9n h VAL 85 N 2.63 0.69 0.00 0.89 3.04 -1.95 -1.05 116.25 120.50 3c9n h VAL 85 Ca -0.33 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 3c9n h VAL 85 Cb 1.22 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3c9n h VAL 85 CO 0.52 0.07 0.00 0.35 -1.01 0.00 0.00 177.57 177.50 3c9n n THR 86 N -3.92 0.32 -3.83 3.17 -2.24 -1.26 -4.74 114.28 101.79 3c9n n THR 86 Ca -0.02 0.08 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 3c9n n THR 86 Cb 0.16 -0.67 -0.13 0.00 -2.10 0.00 0.00 70.33 67.60 3c9n n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3c9n s LEU 87 N -2.93 3.26 0.22 3.22 1.43 -0.40 -4.99 118.68 118.49 3c9n s LEU 87 Ca 0.13 -0.26 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3c9n s LEU 87 Cb 0.16 -1.86 0.34 0.00 0.03 0.00 0.00 46.19 44.86 3c9n s LEU 87 CO 0.43 -0.02 1.73 0.28 0.23 0.00 0.00 176.35 179.00 3c9n h SER 88 N 8.13 0.22 -4.61 2.29 0.02 -1.85 -3.43 113.55 114.32 3c9n h SER 88 Ca -0.39 0.09 -0.25 0.00 -0.84 0.00 0.00 61.79 60.40 3c9n h SER 88 Cb 1.17 0.08 -0.17 0.00 0.14 0.00 0.00 62.40 63.62 3c9n h SER 88 CO 0.59 0.11 -0.71 0.00 -1.14 0.00 0.00 176.83 175.68 3c9n s GLN 89 N -6.07 0.77 0.61 3.45 -2.07 -1.26 -5.13 119.66 109.96 3c9n s GLN 89 Ca -0.13 -1.18 -0.19 0.00 -1.82 0.00 0.00 55.36 52.04 3c9n s GLN 89 Cb 0.18 -0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 31.80 3c9n s GLN 89 CO 0.75 0.01 1.15 -2.30 -1.32 0.00 0.00 175.29 173.58 3c9n n PRO 90 N 0.38 1.12 -3.75 9.60 -0.02 -1.26 -4.94 135.00 136.12 3c9n n PRO 90 Ca -0.15 0.43 -0.35 0.00 -2.02 0.00 0.00 63.50 61.41 3c9n n PRO 90 Cb 0.59 -2.37 -0.08 0.00 -0.02 0.00 0.00 33.50 31.63 3c9n n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3c9n s LYS 91 N -2.99 4.10 -0.16 -0.52 2.20 0.19 -4.89 119.74 117.67 3c9n s LYS 91 Ca 0.77 -0.21 -0.01 0.00 -0.36 0.00 0.00 55.97 56.17 3c9n s LYS 91 Cb -0.41 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 3c9n s LYS 91 CO 0.45 0.36 -0.12 0.42 -0.36 0.00 0.00 175.35 176.10 3c9n s ILE 92 N 0.19 2.95 -0.18 5.43 1.01 -1.26 -0.23 121.20 129.11 3c9n s ILE 92 Ca 0.09 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3c9n s ILE 92 Cb -0.11 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.11 3c9n s ILE 92 CO -0.01 0.50 -0.19 -0.69 0.00 0.00 0.00 174.94 174.55 3c9n s VAL 93 N 0.83 1.96 0.33 2.92 1.01 -0.49 -4.99 120.40 121.97 3c9n s VAL 93 Ca -0.04 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 60.79 3c9n s VAL 93 Cb -0.15 -1.79 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 3c9n s VAL 93 CO 0.00 0.51 1.01 -0.54 0.00 0.00 0.00 175.10 176.08 3c9n s LYS 94 N 1.33 4.49 -0.30 2.72 1.02 -1.26 -0.84 119.74 126.90 3c9n s LYS 94 Ca 0.05 1.49 -0.29 0.00 0.02 0.00 0.00 55.97 57.24 3c9n s LYS 94 Cb -0.13 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.32 3c9n s LYS 94 CO -0.12 0.16 1.63 -0.46 -0.92 0.00 0.00 175.35 175.64 3c9n s TRP 95 N -1.49 2.08 -0.33 3.18 -0.00 0.85 -4.86 118.94 118.37 3c9n s TRP 95 Ca 0.50 0.61 -0.06 0.00 -0.00 0.00 0.00 56.10 57.15 3c9n s TRP 95 Cb -0.23 -4.11 0.03 0.00 -0.00 0.00 0.00 33.47 29.17 3c9n s TRP 95 CO 0.29 -2.69 0.09 0.34 -0.00 0.00 0.00 176.95 174.98 3c9n s ASP 96 N 4.80 5.23 0.44 5.86 -1.08 -1.26 -4.74 116.67 125.92 3c9n s ASP 96 Ca 0.72 -1.05 0.34 0.00 -0.52 0.00 0.00 52.55 52.04 3c9n s ASP 96 Cb -0.21 -1.86 1.47 0.00 -1.46 0.00 0.00 42.92 40.86 3c9n s ASP 96 CO 0.31 -0.29 1.50 -1.14 0.52 0.00 0.00 175.17 176.08 3c9n n ARG 97 N 4.81 -0.03 -0.17 4.34 0.63 -1.26 -1.01 116.66 123.98 3c9n n ARG 97 Ca -0.13 1.18 0.06 0.00 -0.92 0.00 0.00 57.85 58.04 3c9n n ARG 97 Cb 0.45 -2.39 0.17 0.00 0.45 0.00 0.00 32.46 31.15 3c9n n ARG 97 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3c9n n ASP 98 N -4.53 1.81 0.00 6.15 8.00 -1.26 -4.90 116.55 121.82 3c9n n ASP 98 Ca 0.39 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.92 3c9n n ASP 98 Cb 1.57 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 3c9n n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04