#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m05 s GLN 2 N 0.00 4.16 -0.08 6.28 -0.21 -1.26 -4.80 119.66 123.75 1m05 s GLN 2 Ca 0.00 0.74 0.02 0.00 0.02 0.00 0.00 55.36 56.14 1m05 s GLN 2 Cb 0.00 -2.91 0.01 0.00 1.00 0.00 0.00 33.01 31.11 1m05 s GLN 2 CO 0.00 0.43 -0.13 1.03 -2.12 0.00 0.00 175.29 174.50 1m05 s ARG 3 N -1.93 1.87 0.38 2.91 0.52 0.59 -4.93 118.95 118.36 1m05 s ARG 3 Ca 0.41 -0.46 -0.25 0.00 -0.52 0.00 0.00 55.73 54.91 1m05 s ARG 3 Cb -0.16 -1.56 -0.09 0.00 0.52 0.00 0.00 34.95 33.66 1m05 s ARG 3 CO 0.20 -0.00 1.09 -0.08 0.02 0.00 0.00 175.30 176.53 1m05 s THR 4 N 0.78 3.53 0.56 0.02 -1.32 -1.26 -1.70 115.64 116.25 1m05 s THR 4 Ca -0.12 1.25 -0.18 0.00 -1.21 0.00 0.00 61.69 61.44 1m05 s THR 4 Cb -0.16 -3.69 -0.05 0.00 -1.51 0.00 0.00 72.50 67.10 1m05 s THR 4 CO 0.02 0.09 1.07 -2.16 -2.21 0.00 0.00 174.62 171.43 1m05 s PRO 5 N -2.27 3.39 0.04 7.08 0.04 -1.26 -4.39 135.00 137.64 1m05 s PRO 5 Ca 0.55 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.91 1m05 s PRO 5 Cb -0.26 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1m05 s PRO 5 CO 0.33 -0.77 0.23 0.15 0.04 0.00 0.00 177.00 176.98 1m05 s LYS 6 N -3.70 3.48 -0.04 4.56 1.02 0.91 -4.94 119.74 121.02 1m05 s LYS 6 Ca 0.67 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 56.36 1m05 s LYS 6 Cb -0.18 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 1m05 s LYS 6 CO 0.31 0.62 -0.05 0.42 -0.92 0.00 0.00 175.35 175.72 1m05 s ILE 7 N -1.44 0.60 -0.07 2.17 1.01 -1.26 -2.18 121.20 120.03 1m05 s ILE 7 Ca 0.32 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.81 1m05 s ILE 7 Cb -0.13 -0.60 0.02 0.00 0.01 0.00 0.00 42.46 41.76 1m05 s ILE 7 CO 0.23 0.23 -0.08 -1.10 0.00 0.00 0.00 174.94 174.22 1m05 s GLN 8 N 0.80 1.32 -0.14 2.79 -0.21 -0.61 -5.00 119.66 118.61 1m05 s GLN 8 Ca -0.11 -0.25 -0.00 0.00 0.02 0.00 0.00 55.36 55.02 1m05 s GLN 8 Cb -0.14 -1.24 -0.01 0.00 1.00 0.00 0.00 33.01 32.61 1m05 s GLN 8 CO 0.01 -0.10 -0.13 0.08 -2.12 0.00 0.00 175.29 173.03 1m05 s VAL 9 N 1.07 2.98 0.19 1.09 1.01 -1.26 -0.77 120.40 124.71 1m05 s VAL 9 Ca -0.08 -0.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 1m05 s VAL 9 Cb -0.14 -2.26 0.06 0.00 0.00 0.00 0.00 36.38 34.03 1m05 s VAL 9 CO -0.01 0.51 0.93 -0.72 0.00 0.00 0.00 175.10 175.82 1m05 s TYR 10 N 0.55 -0.09 0.18 5.22 1.13 -0.69 -4.55 117.35 119.09 1m05 s TYR 10 Ca -0.08 -0.28 0.04 0.00 -1.41 0.00 0.00 57.07 55.34 1m05 s TYR 10 Cb -0.16 0.67 -0.04 0.00 -1.10 0.00 0.00 41.96 41.34 1m05 s TYR 10 CO 0.04 -0.94 0.21 -1.54 -2.51 0.00 0.00 175.55 170.81 1m05 s SER 11 N -3.02 5.86 0.17 -0.18 1.04 -1.26 0.38 113.70 116.70 1m05 s SER 11 Ca 0.14 -0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.43 1m05 s SER 11 Cb -0.02 -1.63 0.07 0.00 0.10 0.00 0.00 66.02 64.54 1m05 s SER 11 CO 0.04 0.04 1.67 -0.09 0.98 0.00 0.00 173.24 175.88 1m05 h ARG 12 N 2.09 0.99 -6.20 4.02 2.43 -1.63 -3.44 114.38 112.64 1m05 h ARG 12 Ca -0.48 -0.26 -0.57 0.00 -0.81 0.00 0.00 59.98 57.86 1m05 h ARG 12 Cb 1.21 -0.12 -0.19 0.00 -0.42 0.00 0.00 29.97 30.45 1m05 h ARG 12 CO 0.64 0.93 -0.80 -1.01 -1.51 0.00 0.00 179.97 178.22 1m05 s HIS 13 N -5.23 1.96 -0.14 2.20 3.76 -1.26 -5.06 115.29 111.52 1m05 s HIS 13 Ca -0.12 -0.43 -0.39 0.00 -0.15 0.00 0.00 55.06 53.97 1m05 s HIS 13 Cb 0.13 -1.00 -0.17 0.00 1.11 0.00 0.00 32.58 32.66 1m05 s HIS 13 CO 0.83 0.35 1.54 -2.30 -0.85 0.00 0.00 174.74 174.31 1m05 n PRO 14 N 0.46 0.99 -1.80 8.40 -0.02 -1.26 -4.80 135.00 136.96 1m05 n PRO 14 Ca -0.14 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1m05 n PRO 14 Cb 0.56 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1m05 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m05 s ALA 15 N 2.14 3.67 -0.10 3.55 0.00 -1.26 -5.00 121.76 124.76 1m05 s ALA 15 Ca 0.93 1.28 -0.01 0.00 0.00 0.00 0.00 51.96 54.17 1m05 s ALA 15 Cb -1.07 -3.77 0.03 0.00 0.00 0.00 0.00 23.12 18.31 1m05 s ALA 15 CO 0.59 -1.32 -0.05 -2.00 0.00 0.00 0.00 175.76 172.99 1m05 s GLU 16 N 3.38 1.22 -0.21 0.00 2.12 -1.26 -5.10 118.70 118.85 1m05 s GLU 16 Ca 0.80 -0.14 -0.36 0.00 0.36 0.00 0.00 54.97 55.64 1m05 s GLU 16 Cb -0.42 -1.38 -0.12 0.00 0.26 0.00 0.00 34.13 32.47 1m05 s GLU 16 CO 0.36 -0.27 1.95 0.09 -0.54 0.00 0.00 175.26 176.85 1m05 n ASN 17 N 4.99 2.83 0.00 -1.70 3.02 -1.26 -1.37 115.26 121.78 1m05 n ASN 17 Ca -0.11 0.81 0.00 0.00 -0.03 0.00 0.00 54.58 55.25 1m05 n ASN 17 Cb 0.50 -1.29 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1m05 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m05 n GLY 18 N 5.01 3.03 3.69 7.41 0.00 0.11 -4.98 105.19 119.47 1m05 n GLY 18 Ca 0.29 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.93 1m05 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m05 s LYS 19 N -0.70 4.24 0.38 1.61 -0.14 -0.47 -4.95 119.74 119.70 1m05 s LYS 19 Ca 0.00 0.31 -0.27 0.00 -1.36 0.00 0.00 55.97 54.65 1m05 s LYS 19 Cb 0.00 -3.50 -0.11 0.00 -1.68 0.00 0.00 37.83 32.54 1m05 s LYS 19 CO 0.00 0.03 1.34 0.45 -0.76 0.00 0.00 175.35 176.41 1m05 n SER 20 N 4.21 3.00 -0.32 2.83 2.88 -1.26 -4.15 113.62 120.80 1m05 n SER 20 Ca -0.08 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1m05 n SER 20 Cb 0.51 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1m05 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1m05 n ASN 21 N 0.44 0.00 -3.79 -3.46 2.85 0.34 -4.97 115.26 106.67 1m05 n ASN 21 Ca 0.04 -0.32 -0.21 0.00 -0.11 0.00 0.00 54.58 53.98 1m05 n ASN 21 Cb 0.38 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.23 1m05 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1m05 s PHE 22 N -2.31 0.55 -0.23 1.20 0.08 -1.26 -1.73 117.98 114.29 1m05 s PHE 22 Ca 0.00 -0.10 -0.15 0.00 0.12 0.00 0.00 56.93 56.80 1m05 s PHE 22 Cb 0.00 -0.67 -0.04 0.00 -0.57 0.00 0.00 43.02 41.75 1m05 s PHE 22 CO 0.00 -0.25 0.39 -1.17 -0.10 0.00 0.00 175.22 174.09 1m05 s LEU 23 N 1.60 4.11 0.12 -0.37 2.96 0.88 -1.43 118.68 126.55 1m05 s LEU 23 Ca -0.01 0.43 0.08 0.00 -0.22 0.00 0.00 54.13 54.41 1m05 s LEU 23 Cb -0.13 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1m05 s LEU 23 CO -0.03 -0.12 -0.12 0.20 -1.32 0.00 0.00 176.35 174.96 1m05 s ASN 24 N 1.25 4.26 -0.22 3.68 0.01 0.16 -1.44 114.94 122.63 1m05 s ASN 24 Ca 0.17 -0.45 -0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1m05 s ASN 24 Cb -0.15 -0.75 0.07 0.00 0.41 0.00 0.00 41.25 40.83 1m05 s ASN 24 CO 0.08 0.17 0.08 0.00 -1.51 0.00 0.00 177.10 175.93 1m05 s TYR 26 N 1.99 3.21 -0.20 0.00 5.04 0.05 -1.07 117.35 126.37 1m05 s TYR 26 Ca 0.04 0.07 -0.02 0.00 -2.44 0.00 0.00 57.07 54.72 1m05 s TYR 26 Cb -0.16 -2.71 -0.01 0.00 0.35 0.00 0.00 41.96 39.43 1m05 s TYR 26 CO -0.18 -0.43 -0.08 0.08 -1.34 0.00 0.00 175.55 173.61 1m05 s VAL 27 N 2.10 3.14 0.35 3.14 1.01 -0.41 -1.57 120.40 128.15 1m05 s VAL 27 Ca 0.14 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1m05 s VAL 27 Cb -0.16 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1m05 s VAL 27 CO 0.12 0.46 0.43 -0.94 0.00 0.00 0.00 175.10 175.17 1m05 s SER 28 N 1.23 1.28 -0.44 3.32 1.04 -0.93 -0.39 113.70 118.81 1m05 s SER 28 Ca 0.03 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 54.84 1m05 s SER 28 Cb -0.14 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1m05 s SER 28 CO -0.03 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.54 1m05 n GLY 29 N -0.61 0.59 3.92 7.32 0.00 -0.74 -0.06 105.19 115.60 1m05 n GLY 29 Ca 0.03 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 1m05 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1m05 s PHE 30 N -1.76 3.44 -0.28 1.61 -0.71 -1.11 -4.40 117.98 114.76 1m05 s PHE 30 Ca 0.00 0.11 -0.18 0.00 -1.04 0.00 0.00 56.93 55.82 1m05 s PHE 30 Cb 0.00 -1.65 0.08 0.00 -1.21 0.00 0.00 43.02 40.24 1m05 s PHE 30 CO 0.00 0.52 0.70 -1.58 -1.34 0.00 0.00 175.22 173.52 1m05 s HIS 31 N -1.72 -1.01 1.09 3.49 2.46 -0.69 -0.59 115.29 118.31 1m05 s HIS 31 Ca 0.34 2.10 -0.18 0.00 0.47 0.00 0.00 55.06 57.78 1m05 s HIS 31 Cb -0.11 0.57 0.27 0.00 -0.13 0.00 0.00 32.58 33.18 1m05 s HIS 31 CO 0.28 -0.50 0.99 -0.35 -2.47 0.00 0.00 174.74 172.69 1m05 n PRO 32 N 4.01 -2.84 0.19 2.88 -0.04 -1.26 -0.30 135.00 137.64 1m05 n PRO 32 Ca -0.19 -1.58 0.05 0.00 -0.04 0.00 0.00 63.50 61.74 1m05 n PRO 32 Cb 0.58 -1.46 0.35 0.00 -0.04 0.00 0.00 33.50 32.94 1m05 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1m05 h SER 33 N -2.50 0.00 -2.97 3.54 4.64 -2.00 -3.46 113.55 110.80 1m05 h SER 33 Ca -0.37 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.40 1m05 h SER 33 Cb 1.12 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 63.29 1m05 h SER 33 CO 0.24 0.38 0.84 0.47 -0.87 0.00 0.00 176.83 177.89 1m05 n ASP 34 N -3.62 3.59 -3.50 4.97 8.00 -1.26 -4.98 116.55 119.75 1m05 n ASP 34 Ca -0.01 1.13 -0.09 0.00 0.71 0.00 0.00 54.79 56.53 1m05 n ASP 34 Cb 0.49 -1.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.02 1m05 n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1m05 s ILE 35 N 0.24 0.00 -0.02 0.53 2.07 -1.26 -4.60 121.20 118.16 1m05 s ILE 35 Ca 0.68 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.93 1m05 s ILE 35 Cb -0.54 -1.01 0.01 0.00 0.13 0.00 0.00 42.46 41.04 1m05 s ILE 35 CO 0.45 0.00 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.72 1m05 s GLU 36 N -3.17 0.77 0.01 3.50 2.12 -0.31 -5.00 118.70 116.62 1m05 s GLU 36 Ca 0.05 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.18 1m05 s GLU 36 Cb -0.01 -0.74 -0.01 0.00 0.26 0.00 0.00 34.13 33.63 1m05 s GLU 36 CO -0.09 0.06 -0.06 0.08 -0.54 0.00 0.00 175.26 174.71 1m05 s VAL 37 N 0.29 0.46 -0.01 3.70 1.01 -1.26 -0.93 120.40 123.66 1m05 s VAL 37 Ca -0.04 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1m05 s VAL 37 Cb -0.08 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.89 1m05 s VAL 37 CO 0.00 0.02 0.02 -1.81 0.00 0.00 0.00 175.10 173.33 1m05 s ASP 38 N -0.44 0.08 -0.09 3.32 1.01 -0.57 -4.99 116.67 114.98 1m05 s ASP 38 Ca -0.00 0.02 -0.15 0.00 0.71 0.00 0.00 52.55 53.12 1m05 s ASP 38 Cb -0.04 -0.06 -0.05 0.00 1.01 0.00 0.00 42.92 43.79 1m05 s ASP 38 CO -0.00 -0.08 0.39 -0.76 0.21 0.00 0.00 175.17 174.93 1m05 s LEU 39 N 0.72 4.34 0.06 1.23 1.43 -1.26 -0.65 118.68 124.55 1m05 s LEU 39 Ca -0.06 0.77 0.07 0.00 -1.03 0.00 0.00 54.13 53.88 1m05 s LEU 39 Cb -0.09 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1m05 s LEU 39 CO -0.02 0.15 -0.18 -0.76 0.23 0.00 0.00 176.35 175.77 1m05 s LEU 40 N -0.05 2.62 -0.21 1.79 1.43 0.67 -0.73 118.68 124.19 1m05 s LEU 40 Ca 0.22 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1m05 s LEU 40 Cb -0.15 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.60 1m05 s LEU 40 CO 0.09 0.24 -0.06 -0.75 0.23 0.00 0.00 176.35 176.10 1m05 s LYS 41 N -1.58 1.62 -1.47 1.70 2.20 0.14 -1.22 119.74 121.12 1m05 s LYS 41 Ca 0.15 -0.81 -0.07 0.00 -0.36 0.00 0.00 55.97 54.88 1m05 s LYS 41 Cb -0.10 -2.38 0.03 0.00 -1.51 0.00 0.00 37.83 33.86 1m05 s LYS 41 CO 0.06 -0.52 0.74 0.09 -0.36 0.00 0.00 175.35 175.36 1m05 n ASN 42 N 4.75 -5.63 0.00 1.43 3.02 0.29 -1.59 115.26 117.53 1m05 n ASN 42 Ca -0.12 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1m05 n ASN 42 Cb 0.46 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.10 1m05 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1m05 n GLY 43 N -1.58 0.89 3.50 7.41 0.00 -1.26 -5.03 105.19 109.13 1m05 n GLY 43 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1m05 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m05 s GLU 44 N -0.24 2.89 0.35 1.61 2.12 -0.62 -5.05 118.70 119.76 1m05 s GLU 44 Ca 0.00 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.43 1m05 s GLU 44 Cb 0.00 -2.57 -0.11 0.00 0.26 0.00 0.00 34.13 31.71 1m05 s GLU 44 CO 0.00 0.53 1.51 0.50 -0.54 0.00 0.00 175.26 177.25 1m05 s ARG 45 N -0.45 4.13 -0.20 4.30 3.52 -1.26 0.29 118.95 129.27 1m05 s ARG 45 Ca 0.06 2.55 -0.14 0.00 -0.13 0.00 0.00 55.73 58.08 1m05 s ARG 45 Cb -0.12 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 1m05 s ARG 45 CO 0.02 -0.54 0.31 0.42 -0.81 0.00 0.00 175.30 174.70 1m05 s ILE 46 N -0.81 5.26 0.01 4.11 1.01 0.09 -4.82 121.20 126.05 1m05 s ILE 46 Ca 0.55 0.53 -0.18 0.00 0.00 0.00 0.00 60.65 61.56 1m05 s ILE 46 Cb -0.46 -3.65 -0.32 0.00 0.01 0.00 0.00 42.46 38.04 1m05 s ILE 46 CO 0.58 0.30 1.00 -0.08 0.00 0.00 0.00 174.94 176.75 1m05 h GLU 47 N 7.27 0.47 -3.79 2.79 4.57 -1.94 -3.39 114.58 120.56 1m05 h GLU 47 Ca -0.38 -0.72 -0.70 0.00 -1.18 0.00 0.00 59.36 56.38 1m05 h GLU 47 Cb 1.16 0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 1m05 h GLU 47 CO 0.71 1.33 3.27 1.63 -1.18 0.00 0.00 179.01 184.77 1m05 n LYS 48 N -3.92 3.00 -5.03 1.92 4.01 -1.26 -4.89 118.16 111.98 1m05 n LYS 48 Ca -0.14 -2.49 -0.32 0.00 -0.51 0.00 0.00 58.31 54.85 1m05 n LYS 48 Cb 0.94 -3.17 -0.16 0.00 -0.51 0.00 0.00 35.03 32.14 1m05 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1m05 s VAL 49 N 3.03 2.53 0.49 -0.18 1.01 -1.26 -4.60 120.40 121.42 1m05 s VAL 49 Ca 0.52 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.71 1m05 s VAL 49 Cb 0.15 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.53 1m05 s VAL 49 CO -0.08 0.55 0.39 -1.61 0.00 0.00 0.00 175.10 174.35 1m05 s GLU 50 N 0.19 2.34 -0.01 2.72 2.02 -0.40 -4.96 118.70 120.60 1m05 s GLU 50 Ca -0.11 -1.83 -0.28 0.00 0.02 0.00 0.00 54.97 52.76 1m05 s GLU 50 Cb -0.16 -2.19 0.10 0.00 0.10 0.00 0.00 34.13 31.97 1m05 s GLU 50 CO 0.06 -0.44 0.82 -3.38 0.02 0.00 0.00 175.26 172.34 1m05 s HIS 51 N -2.65 -0.44 1.02 1.61 -3.43 -1.26 -1.29 115.29 108.84 1m05 s HIS 51 Ca 0.41 0.46 -0.15 0.00 -0.80 0.00 0.00 55.06 54.97 1m05 s HIS 51 Cb -0.02 0.51 0.20 0.00 -1.43 0.00 0.00 32.58 31.84 1m05 s HIS 51 CO 0.24 -0.58 1.16 -1.54 -2.00 0.00 0.00 174.74 172.03 1m05 s SER 52 N -2.07 2.56 0.06 7.38 1.04 0.50 -4.96 113.70 118.21 1m05 s SER 52 Ca 0.00 0.75 -0.07 0.00 0.48 0.00 0.00 55.95 57.11 1m05 s SER 52 Cb -0.01 -1.13 -0.05 0.00 0.10 0.00 0.00 66.02 64.93 1m05 s SER 52 CO -0.05 -3.12 0.33 -1.81 0.98 0.00 0.00 173.24 169.58 1m05 s ASP 53 N -4.10 6.54 -0.34 7.02 1.01 -1.26 -4.67 116.67 120.86 1m05 s ASP 53 Ca 0.68 0.63 -0.42 0.00 0.71 0.00 0.00 52.55 54.15 1m05 s ASP 53 Cb -0.11 -2.11 -0.17 0.00 1.01 0.00 0.00 42.92 41.53 1m05 s ASP 53 CO 0.54 0.18 1.68 -0.11 0.21 0.00 0.00 175.17 177.68 1m05 n LEU 54 N 0.79 1.96 -4.14 1.23 7.94 -1.26 -4.92 117.00 118.60 1m05 n LEU 54 Ca -0.08 1.11 -0.11 0.00 -1.11 0.00 0.00 56.01 55.82 1m05 n LEU 54 Cb 0.52 -1.05 -0.08 0.00 0.53 0.00 0.00 43.42 43.33 1m05 n LEU 54 CO 0.44 -0.59 -0.11 -0.44 -1.11 0.00 0.00 177.39 175.57 1m05 s SER 55 N 3.28 0.13 0.09 1.96 0.01 -1.22 -5.05 113.70 112.90 1m05 s SER 55 Ca 1.00 -1.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 1m05 s SER 55 Cb -1.21 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 1m05 s SER 55 CO 0.71 -0.94 0.02 0.72 0.41 0.00 0.00 173.24 174.16 1m05 s PHE 56 N -4.08 0.67 0.68 2.43 -0.71 -1.26 -1.68 117.98 114.03 1m05 s PHE 56 Ca 0.34 -1.13 -0.02 0.00 -1.04 0.00 0.00 56.93 55.08 1m05 s PHE 56 Cb 0.05 -0.42 0.10 0.00 -1.21 0.00 0.00 43.02 41.53 1m05 s PHE 56 CO 0.12 -0.45 0.95 -1.12 -1.34 0.00 0.00 175.22 173.38 1m05 s SER 57 N -2.98 4.60 0.64 1.98 0.01 0.56 -4.95 113.70 113.56 1m05 s SER 57 Ca 0.15 -0.13 0.41 0.00 1.31 0.00 0.00 55.95 57.69 1m05 s SER 57 Cb 0.08 -0.40 2.20 0.00 0.21 0.00 0.00 66.02 68.11 1m05 s SER 57 CO -0.04 -1.68 2.31 0.11 0.41 0.00 0.00 173.24 174.34 1m05 h LYS 58 N -0.43 0.00 -0.55 12.44 1.57 -2.03 0.12 116.57 127.68 1m05 h LYS 58 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1m05 h LYS 58 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1m05 h LYS 58 CO 0.46 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 178.95 1m05 n ASP 59 N -3.20 2.94 0.00 0.86 5.75 -1.26 -4.92 116.55 116.72 1m05 n ASP 59 Ca -0.03 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1m05 n ASP 59 Cb 0.11 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1m05 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1m05 n TRP 60 N 0.69 0.00 -2.33 2.11 7.02 0.40 -5.01 117.44 120.31 1m05 n TRP 60 Ca 0.16 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.27 1m05 n TRP 60 Cb 0.54 -0.05 -0.02 0.00 -2.42 0.00 0.00 31.31 29.35 1m05 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1m05 s SER 61 N -2.49 6.32 0.52 -0.99 1.04 -1.26 -4.58 113.70 112.27 1m05 s SER 61 Ca 0.00 2.23 -0.09 0.00 0.48 0.00 0.00 55.95 58.57 1m05 s SER 61 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1m05 s SER 61 CO 0.00 -0.81 0.88 -0.36 0.98 0.00 0.00 173.24 173.93 1m05 s PHE 62 N -1.58 3.56 0.02 5.02 0.40 0.24 -0.32 117.98 125.31 1m05 s PHE 62 Ca 0.62 1.06 -0.18 0.00 -0.60 0.00 0.00 56.93 57.83 1m05 s PHE 62 Cb -0.27 -2.50 0.03 0.00 0.51 0.00 0.00 43.02 40.80 1m05 s PHE 62 CO 0.33 -0.40 0.39 1.52 0.70 0.00 0.00 175.22 177.75 1m05 s TYR 63 N -2.83 -0.25 -0.01 0.36 -0.85 -0.68 -1.79 117.35 111.31 1m05 s TYR 63 Ca 0.51 0.28 -0.09 0.00 -0.52 0.00 0.00 57.07 57.26 1m05 s TYR 63 Cb -0.10 0.18 0.01 0.00 0.38 0.00 0.00 41.96 42.42 1m05 s TYR 63 CO 0.45 -0.51 0.18 -0.51 -1.52 0.00 0.00 175.55 173.65 1m05 s LEU 64 N -1.72 1.37 -0.21 -3.49 1.43 0.47 -3.43 118.68 113.11 1m05 s LEU 64 Ca -0.08 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1m05 s LEU 64 Cb -0.02 0.81 0.03 0.00 0.03 0.00 0.00 46.19 47.04 1m05 s LEU 64 CO 0.01 -0.37 -0.16 -0.22 0.23 0.00 0.00 176.35 175.84 1m05 s LEU 65 N -1.27 2.57 -0.13 1.79 2.96 -1.26 -1.29 118.68 122.04 1m05 s LEU 65 Ca -0.13 -0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 52.89 1m05 s LEU 65 Cb -0.07 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 1m05 s LEU 65 CO 0.02 -0.06 0.03 -0.31 -1.32 0.00 0.00 176.35 174.71 1m05 s TYR 66 N 1.25 3.21 0.23 5.38 1.51 -0.23 -0.37 117.35 128.33 1m05 s TYR 66 Ca 0.01 0.12 -0.07 0.00 -1.01 0.00 0.00 57.07 56.12 1m05 s TYR 66 Cb -0.15 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1m05 s TYR 66 CO -0.10 0.32 0.32 1.52 -1.11 0.00 0.00 175.55 176.50 1m05 s TYR 67 N -0.33 0.75 -0.15 2.71 1.13 -0.41 0.08 117.35 121.13 1m05 s TYR 67 Ca 0.08 -1.05 -0.29 0.00 -1.41 0.00 0.00 57.07 54.40 1m05 s TYR 67 Cb -0.12 -0.17 0.10 0.00 -1.10 0.00 0.00 41.96 40.67 1m05 s TYR 67 CO 0.02 -0.84 0.85 -0.08 -2.51 0.00 0.00 175.55 173.00 1m05 s THR 68 N -4.05 0.00 0.18 -3.49 -1.32 -0.52 -1.28 115.64 105.16 1m05 s THR 68 Ca 0.30 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.48 1m05 s THR 68 Cb 0.03 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.94 1m05 s THR 68 CO 0.11 0.00 0.95 -1.61 -2.21 0.00 0.00 174.62 171.86 1m05 s GLU 69 N -0.79 4.78 0.19 7.08 2.02 -1.26 -0.08 118.70 130.64 1m05 s GLU 69 Ca -0.04 1.48 -0.18 0.00 0.02 0.00 0.00 54.97 56.25 1m05 s GLU 69 Cb -0.01 -3.32 0.03 0.00 0.10 0.00 0.00 34.13 30.93 1m05 s GLU 69 CO 0.04 0.37 0.53 -0.59 0.02 0.00 0.00 175.26 175.63 1m05 s PHE 70 N -0.64 -0.17 -0.29 1.61 -0.71 -0.70 -4.89 117.98 112.19 1m05 s PHE 70 Ca 0.44 -0.17 0.02 0.00 -1.04 0.00 0.00 56.93 56.18 1m05 s PHE 70 Cb -0.25 0.42 0.08 0.00 -1.21 0.00 0.00 43.02 42.06 1m05 s PHE 70 CO 0.31 -0.92 -0.00 0.99 -1.34 0.00 0.00 175.22 174.26 1m05 s THR 71 N -3.86 1.82 0.33 -4.49 2.01 -1.26 0.13 115.64 110.32 1m05 s THR 71 Ca 0.08 -1.75 -0.29 0.00 0.31 0.00 0.00 61.69 60.04 1m05 s THR 71 Cb -0.01 -2.20 -0.12 0.00 0.01 0.00 0.00 72.50 70.18 1m05 s THR 71 CO -0.04 -0.37 1.44 -2.65 -0.69 0.00 0.00 174.62 172.32 1m05 n PRO 72 N 4.50 2.43 -4.36 4.92 -0.02 -1.26 -4.75 135.00 136.46 1m05 n PRO 72 Ca -0.05 0.86 -0.18 0.00 -2.02 0.00 0.00 63.50 62.11 1m05 n PRO 72 Cb 0.43 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 1m05 n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1m05 s THR 73 N -0.71 1.20 0.37 3.45 -4.23 -1.26 -0.71 115.64 113.74 1m05 s THR 73 Ca 0.58 -2.06 0.28 0.00 -1.18 0.00 0.00 61.69 59.31 1m05 s THR 73 Cb -0.53 -2.37 0.29 0.00 1.34 0.00 0.00 72.50 71.23 1m05 s THR 73 CO 0.58 -0.32 2.04 -0.08 -0.54 0.00 0.00 174.62 176.30 1m05 h GLU 74 N 2.42 0.00 0.00 3.99 4.22 -1.96 -3.31 114.58 119.94 1m05 h GLU 74 Ca -0.39 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 58.74 1m05 h GLU 74 Cb 1.22 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1m05 h GLU 74 CO 0.65 0.13 -2.20 0.36 -2.18 0.00 0.00 179.01 175.78 1m05 n LYS 75 N -3.57 0.99 -1.66 1.92 0.00 -1.26 -5.00 118.16 109.58 1m05 n LYS 75 Ca -0.01 0.04 -0.46 0.00 -0.00 0.00 0.00 58.31 57.87 1m05 n LYS 75 Cb 0.27 -1.44 -0.04 0.00 -0.00 0.00 0.00 35.03 33.82 1m05 n LYS 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1m05 n ASP 76 N -2.81 2.99 -4.75 -5.58 8.00 -1.25 -4.98 116.55 108.17 1m05 n ASP 76 Ca -0.32 1.09 -0.36 0.00 0.71 0.00 0.00 54.79 55.91 1m05 n ASP 76 Cb 1.01 -1.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 1m05 n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1m05 s GLU 77 N 0.87 3.60 0.04 -1.24 2.12 -1.26 -4.82 118.70 118.02 1m05 s GLU 77 Ca 0.79 -0.25 0.05 0.00 0.36 0.00 0.00 54.97 55.92 1m05 s GLU 77 Cb -0.70 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 1m05 s GLU 77 CO 0.38 0.56 -0.15 0.71 -0.54 0.00 0.00 175.26 176.23 1m05 s TYR 78 N -0.43 1.28 0.33 5.30 2.02 -1.26 0.10 117.35 124.70 1m05 s TYR 78 Ca 0.10 -0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.34 1m05 s TYR 78 Cb -0.12 -0.76 0.02 0.00 -0.40 0.00 0.00 41.96 40.70 1m05 s TYR 78 CO 0.02 0.05 0.58 0.00 -1.57 0.00 0.00 175.55 174.62 1m05 s ALA 79 N -0.90 0.03 -0.04 3.71 0.00 -0.36 -0.31 121.76 123.89 1m05 s ALA 79 Ca 0.02 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1m05 s ALA 79 Cb -0.08 0.98 0.01 0.00 0.00 0.00 0.00 23.12 24.03 1m05 s ALA 79 CO 0.01 -0.87 -0.07 0.00 0.00 0.00 0.00 175.76 174.83 1m05 s ARG 81 N 0.52 3.22 -0.04 0.00 3.52 0.18 -0.63 118.95 125.71 1m05 s ARG 81 Ca -0.08 -0.72 0.07 0.00 -0.13 0.00 0.00 55.73 54.86 1m05 s ARG 81 Cb -0.12 -2.76 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 1m05 s ARG 81 CO 0.01 -0.13 -0.24 0.08 -0.81 0.00 0.00 175.30 174.21 1m05 s VAL 82 N 1.20 2.17 -0.14 7.11 1.01 0.78 -1.51 120.40 131.01 1m05 s VAL 82 Ca 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1m05 s VAL 82 Cb -0.14 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1m05 s VAL 82 CO -0.05 0.57 -0.12 0.21 0.00 0.00 0.00 175.10 175.72 1m05 s ASN 83 N -0.38 2.59 0.04 3.32 2.47 -0.10 -0.69 114.94 122.19 1m05 s ASN 83 Ca 0.03 -0.47 -0.02 0.00 0.42 0.00 0.00 52.86 52.83 1m05 s ASN 83 Cb -0.12 -1.07 -0.03 0.00 -1.45 0.00 0.00 41.25 38.58 1m05 s ASN 83 CO 0.02 -0.09 -0.01 -2.28 -3.72 0.00 0.00 177.10 171.02 1m05 s HIS 84 N 1.55 0.42 0.42 0.43 5.65 -1.26 -1.16 115.29 121.34 1m05 s HIS 84 Ca 0.04 -0.88 0.15 0.00 0.25 0.00 0.00 55.06 54.62 1m05 s HIS 84 Cb -0.13 -0.31 1.02 0.00 -1.18 0.00 0.00 32.58 31.99 1m05 s HIS 84 CO -0.10 -0.35 1.92 -0.24 -0.65 0.00 0.00 174.74 175.33 1m05 h VAL 85 N 3.50 0.81 0.00 0.89 3.04 -1.95 0.15 116.25 122.70 1m05 h VAL 85 Ca -0.33 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1m05 h VAL 85 Cb 1.16 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1m05 h VAL 85 CO 0.59 0.08 0.00 0.35 -1.01 0.00 0.00 177.57 177.58 1m05 n THR 86 N -4.48 0.18 -3.90 3.17 -2.24 -1.26 -4.68 114.28 101.07 1m05 n THR 86 Ca 0.14 0.05 -0.36 0.00 -2.27 0.00 0.00 64.05 61.61 1m05 n THR 86 Cb 0.50 -0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 67.91 1m05 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1m05 s LEU 87 N -2.29 3.52 0.50 3.22 1.43 0.04 -4.97 118.68 120.13 1m05 s LEU 87 Ca 0.26 -0.12 0.28 0.00 -1.03 0.00 0.00 54.13 53.52 1m05 s LEU 87 Cb 0.15 -1.92 1.20 0.00 0.03 0.00 0.00 46.19 45.65 1m05 s LEU 87 CO 0.29 0.04 1.94 0.77 0.23 0.00 0.00 176.35 179.62 1m05 h SER 88 N 7.65 0.00 -4.70 2.29 4.64 -1.84 -3.44 113.55 118.15 1m05 h SER 88 Ca -0.37 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.86 1m05 h SER 88 Cb 1.18 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.06 1m05 h SER 88 CO 0.61 0.13 -0.10 -1.58 -0.87 0.00 0.00 176.83 175.02 1m05 s GLN 89 N -3.76 0.76 0.36 4.77 0.74 -1.26 -5.14 119.66 116.13 1m05 s GLN 89 Ca 0.00 0.18 -0.26 0.00 0.05 0.00 0.00 55.36 55.33 1m05 s GLN 89 Cb 0.10 0.35 -0.13 0.00 1.10 0.00 0.00 33.01 34.44 1m05 s GLN 89 CO 0.59 -0.20 0.92 -2.30 -0.55 0.00 0.00 175.29 173.76 1m05 n PRO 90 N 1.58 1.19 -4.24 1.67 -0.02 -1.26 -4.95 135.00 128.96 1m05 n PRO 90 Ca -0.19 0.42 -0.35 0.00 -2.02 0.00 0.00 63.50 61.37 1m05 n PRO 90 Cb 0.56 -1.84 -0.09 0.00 -0.02 0.00 0.00 33.50 32.11 1m05 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1m05 s LYS 91 N -1.72 3.31 -0.16 -0.52 2.20 0.13 -4.91 119.74 118.08 1m05 s LYS 91 Ca 0.61 -0.37 0.01 0.00 -0.36 0.00 0.00 55.97 55.86 1m05 s LYS 91 Cb -0.64 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1m05 s LYS 91 CO 0.58 0.58 -0.19 0.42 -0.36 0.00 0.00 175.35 176.38 1m05 s ILE 92 N -0.52 2.22 -0.24 5.43 1.01 -1.26 -0.16 121.20 127.69 1m05 s ILE 92 Ca 0.10 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 1m05 s ILE 92 Cb -0.12 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.44 1m05 s ILE 92 CO 0.02 0.53 -0.04 -0.69 0.00 0.00 0.00 174.94 174.76 1m05 s VAL 93 N 1.02 3.23 0.50 2.92 1.01 0.20 -4.94 120.40 124.35 1m05 s VAL 93 Ca -0.02 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 1m05 s VAL 93 Cb -0.14 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.62 1m05 s VAL 93 CO -0.06 0.32 1.06 -0.54 0.00 0.00 0.00 175.10 175.88 1m05 s LYS 94 N 1.43 3.68 -0.13 2.72 1.02 -1.26 -1.09 119.74 126.11 1m05 s LYS 94 Ca 0.04 1.41 -0.24 0.00 0.02 0.00 0.00 55.97 57.20 1m05 s LYS 94 Cb -0.15 -2.07 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1m05 s LYS 94 CO -0.03 -0.54 0.74 -0.46 -0.92 0.00 0.00 175.35 174.14 1m05 s TRP 95 N -1.95 3.47 -0.20 3.18 -0.00 0.57 -4.81 118.94 119.20 1m05 s TRP 95 Ca 0.68 1.19 -0.02 0.00 -0.00 0.00 0.00 56.10 57.95 1m05 s TRP 95 Cb -0.18 -2.89 0.00 0.00 -0.00 0.00 0.00 33.47 30.40 1m05 s TRP 95 CO 0.22 -0.10 -0.11 0.34 -0.00 0.00 0.00 176.95 177.29 1m05 s ASP 96 N 1.03 3.77 0.66 5.86 -1.08 -1.26 -4.74 116.67 120.91 1m05 s ASP 96 Ca 0.36 -0.51 0.38 0.00 -0.52 0.00 0.00 52.55 52.26 1m05 s ASP 96 Cb -0.17 -1.62 2.09 0.00 -1.46 0.00 0.00 42.92 41.76 1m05 s ASP 96 CO 0.14 -0.01 2.19 -0.09 0.52 0.00 0.00 175.17 177.92 1m05 h ARG 97 N 8.03 0.00 -0.62 4.34 2.43 -1.96 -0.91 114.38 125.70 1m05 h ARG 97 Ca -0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1m05 h ARG 97 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1m05 h ARG 97 CO 0.62 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.83 1m05 n ASP 98 N -3.06 3.53 0.00 -3.80 8.00 -1.26 -4.80 116.55 115.15 1m05 n ASP 98 Ca -0.02 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.48 1m05 n ASP 98 Cb 0.20 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 1m05 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04