#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c16 s GLN 2 N 0.00 0.53 -0.08 9.51 -0.21 -1.26 -4.71 119.66 123.43 1c16 s GLN 2 Ca 0.00 -0.87 -0.03 0.00 0.02 0.00 0.00 55.36 54.48 1c16 s GLN 2 Cb 0.00 -0.10 0.05 0.00 1.00 0.00 0.00 33.01 33.96 1c16 s GLN 2 CO 0.00 -0.01 0.17 1.03 -2.12 0.00 0.00 175.29 174.36 1c16 s ARG 3 N -2.21 0.06 0.44 2.91 0.52 -1.26 -4.92 118.95 114.49 1c16 s ARG 3 Ca -0.06 0.54 -0.24 0.00 -0.52 0.00 0.00 55.73 55.45 1c16 s ARG 3 Cb -0.05 -0.23 -0.08 0.00 0.52 0.00 0.00 34.95 35.11 1c16 s ARG 3 CO -0.02 -0.27 1.17 -0.08 0.02 0.00 0.00 175.30 176.12 1c16 s THR 4 N 2.04 3.09 0.46 0.02 -1.32 -1.26 -1.49 115.64 117.18 1c16 s THR 4 Ca -0.00 0.85 -0.21 0.00 -1.21 0.00 0.00 61.69 61.11 1c16 s THR 4 Cb -0.12 -3.45 -0.08 0.00 -1.51 0.00 0.00 72.50 67.34 1c16 s THR 4 CO -0.06 0.02 1.05 -2.16 -2.21 0.00 0.00 174.62 171.26 1c16 s PRO 5 N -2.56 3.89 -0.15 7.08 0.04 -1.26 -4.21 135.00 137.83 1c16 s PRO 5 Ca 0.61 1.43 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 1c16 s PRO 5 Cb -0.30 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1c16 s PRO 5 CO 0.37 -0.37 0.12 0.15 0.04 0.00 0.00 177.00 177.31 1c16 s LYS 6 N -2.99 3.66 0.15 4.56 1.02 -0.45 -4.94 119.74 120.75 1c16 s LYS 6 Ca 0.65 -0.20 0.10 0.00 0.02 0.00 0.00 55.97 56.53 1c16 s LYS 6 Cb -0.19 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 1c16 s LYS 6 CO 0.23 0.59 -0.18 0.42 -0.92 0.00 0.00 175.35 175.49 1c16 s ILE 7 N -0.49 2.78 -0.18 2.17 1.01 -1.26 -2.29 121.20 122.94 1c16 s ILE 7 Ca 0.12 -1.68 -0.09 0.00 0.00 0.00 0.00 60.65 59.00 1c16 s ILE 7 Cb -0.12 -2.31 0.07 0.00 0.01 0.00 0.00 42.46 40.11 1c16 s ILE 7 CO 0.02 -0.00 0.43 -1.10 0.00 0.00 0.00 174.94 174.29 1c16 s GLN 8 N -2.42 0.40 -0.11 2.79 -0.21 -0.82 -4.97 119.66 114.32 1c16 s GLN 8 Ca 0.20 0.87 0.02 0.00 0.02 0.00 0.00 55.36 56.48 1c16 s GLN 8 Cb -0.09 0.06 -0.01 0.00 1.00 0.00 0.00 33.01 33.97 1c16 s GLN 8 CO 0.11 -0.18 -0.19 0.08 -2.12 0.00 0.00 175.29 173.00 1c16 s VAL 9 N 1.67 2.56 0.22 1.09 1.01 -1.26 -0.06 120.40 125.62 1c16 s VAL 9 Ca -0.08 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 60.83 1c16 s VAL 9 Cb -0.09 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.33 1c16 s VAL 9 CO -0.13 0.55 0.91 -0.72 0.00 0.00 0.00 175.10 175.70 1c16 s TYR 10 N 0.23 -0.07 0.04 5.22 -0.85 -0.18 -4.64 117.35 117.10 1c16 s TYR 10 Ca -0.12 -0.34 0.01 0.00 -0.52 0.00 0.00 57.07 56.10 1c16 s TYR 10 Cb -0.16 0.69 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1c16 s TYR 10 CO 0.06 -1.03 0.11 -1.54 -1.52 0.00 0.00 175.55 171.64 1c16 s SER 11 N -3.05 5.78 0.10 -0.18 1.04 -1.26 0.31 113.70 116.44 1c16 s SER 11 Ca 0.14 0.12 -0.29 0.00 0.48 0.00 0.00 55.95 56.40 1c16 s SER 11 Cb -0.03 -1.65 -0.11 0.00 0.10 0.00 0.00 66.02 64.33 1c16 s SER 11 CO 0.05 0.22 1.62 -0.09 0.98 0.00 0.00 173.24 176.02 1c16 h ARG 12 N 3.62 -0.58 -6.15 4.02 2.43 -1.47 -3.43 114.38 112.82 1c16 h ARG 12 Ca -0.48 0.04 -0.55 0.00 -0.81 0.00 0.00 59.98 58.18 1c16 h ARG 12 Cb 1.17 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.77 1c16 h ARG 12 CO 0.66 -0.39 -0.60 -1.01 -1.51 0.00 0.00 179.97 177.13 1c16 s HIS 13 N -6.02 2.70 -0.02 2.20 3.76 -1.26 -5.04 115.29 111.61 1c16 s HIS 13 Ca -0.16 -0.29 -0.37 0.00 -0.15 0.00 0.00 55.06 54.08 1c16 s HIS 13 Cb 0.07 -1.38 -0.16 0.00 1.11 0.00 0.00 32.58 32.22 1c16 s HIS 13 CO 0.64 0.51 1.49 -2.30 -0.85 0.00 0.00 174.74 174.23 1c16 n PRO 14 N -1.00 1.23 -1.68 8.40 -0.02 -1.26 -4.83 135.00 135.85 1c16 n PRO 14 Ca -0.05 0.45 -0.45 0.00 -2.02 0.00 0.00 63.50 61.42 1c16 n PRO 14 Cb 0.60 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.93 1c16 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1c16 n ALA 15 N 3.53 1.47 -3.35 3.55 0.00 -1.26 -4.98 120.51 119.47 1c16 n ALA 15 Ca 0.21 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.89 1c16 n ALA 15 Cb 0.18 -2.50 -0.08 0.00 0.00 0.00 0.00 19.45 17.05 1c16 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1c16 s GLU 16 N 2.83 0.35 0.49 0.00 2.12 -1.26 -5.15 118.70 118.08 1c16 s GLU 16 Ca 0.85 0.51 -0.20 0.00 0.36 0.00 0.00 54.97 56.49 1c16 s GLU 16 Cb -0.61 -0.47 -0.11 0.00 0.26 0.00 0.00 34.13 33.21 1c16 s GLU 16 CO 0.43 -0.67 0.49 0.09 -0.54 0.00 0.00 175.26 175.06 1c16 n ASN 17 N 5.36 -1.14 0.00 -1.70 3.02 -1.26 -2.30 115.26 117.24 1c16 n ASN 17 Ca -0.03 0.82 0.00 0.00 -0.03 0.00 0.00 54.58 55.33 1c16 n ASN 17 Cb 0.50 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1c16 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c16 n GLY 18 N 1.83 2.01 3.68 7.41 0.00 -0.79 -4.97 105.19 114.37 1c16 n GLY 18 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1c16 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c16 s LYS 19 N 0.00 3.22 0.61 1.61 1.02 -0.97 -5.03 119.74 120.20 1c16 s LYS 19 Ca 0.00 -0.38 -0.19 0.00 0.02 0.00 0.00 55.97 55.42 1c16 s LYS 19 Cb 0.00 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1c16 s LYS 19 CO 0.00 0.62 1.16 0.45 -0.92 0.00 0.00 175.35 176.66 1c16 n SER 20 N 2.42 1.62 -0.32 2.83 2.88 -1.26 -4.41 113.62 117.38 1c16 n SER 20 Ca -0.18 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1c16 n SER 20 Cb 0.53 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1c16 n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1c16 n ASN 21 N -1.22 0.00 -3.75 -3.46 2.85 0.17 -4.97 115.26 104.88 1c16 n ASN 21 Ca 0.14 -0.32 -0.14 0.00 -0.11 0.00 0.00 54.58 54.16 1c16 n ASN 21 Cb 0.47 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.34 1c16 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1c16 s PHE 22 N -4.75 -0.15 -0.17 1.20 0.40 -1.26 -1.44 117.98 111.80 1c16 s PHE 22 Ca 0.00 0.46 -0.17 0.00 -0.60 0.00 0.00 56.93 56.63 1c16 s PHE 22 Cb 0.00 -0.10 -0.04 0.00 0.51 0.00 0.00 43.02 43.39 1c16 s PHE 22 CO 0.00 -0.16 0.42 -1.17 0.70 0.00 0.00 175.22 175.01 1c16 s LEU 23 N 1.19 4.20 -0.05 -0.37 2.96 0.47 -1.06 118.68 126.03 1c16 s LEU 23 Ca -0.09 0.62 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 1c16 s LEU 23 Cb -0.12 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1c16 s LEU 23 CO -0.06 -0.05 -0.19 0.20 -1.32 0.00 0.00 176.35 174.93 1c16 s ASN 24 N 0.87 3.63 -0.11 3.68 0.02 0.15 -1.69 114.94 121.49 1c16 s ASN 24 Ca 0.21 -0.32 0.01 0.00 -1.02 0.00 0.00 52.86 51.74 1c16 s ASN 24 Cb -0.15 -0.73 0.02 0.00 0.02 0.00 0.00 41.25 40.41 1c16 s ASN 24 CO 0.08 0.32 -0.12 0.00 0.02 0.00 0.00 177.10 177.40 1c16 s TYR 26 N 1.29 2.83 -0.11 0.00 5.04 0.91 0.01 117.35 127.32 1c16 s TYR 26 Ca -0.02 -1.64 -0.01 0.00 -2.44 0.00 0.00 57.07 52.97 1c16 s TYR 26 Cb -0.14 -1.94 -0.02 0.00 0.35 0.00 0.00 41.96 40.21 1c16 s TYR 26 CO -0.05 -0.79 -0.08 0.08 -1.34 0.00 0.00 175.55 173.37 1c16 s VAL 27 N 1.29 3.55 0.33 3.14 1.01 -0.35 -1.95 120.40 127.42 1c16 s VAL 27 Ca 0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1c16 s VAL 27 Cb -0.14 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.77 1c16 s VAL 27 CO -0.12 0.55 0.60 -0.94 0.00 0.00 0.00 175.10 175.19 1c16 s SER 28 N -0.15 0.29 0.00 3.32 1.04 -0.97 0.24 113.70 117.46 1c16 s SER 28 Ca 0.01 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1c16 s SER 28 Cb -0.13 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1c16 s SER 28 CO 0.03 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1c16 n GLY 29 N -0.50 0.00 3.92 7.32 0.00 -0.29 -1.34 105.19 114.29 1c16 n GLY 29 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 1c16 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1c16 s PHE 30 N -0.94 3.49 0.00 1.61 -0.12 -1.24 -4.56 117.98 116.22 1c16 s PHE 30 Ca 0.00 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.20 1c16 s PHE 30 Cb 0.00 -1.82 0.00 0.00 -0.63 0.00 0.00 43.02 40.57 1c16 s PHE 30 CO 0.00 0.49 0.00 1.58 -0.05 0.00 0.00 175.22 177.24 1c16 n HIS 31 N -0.14 0.00 -0.58 3.49 -0.00 -0.55 -0.72 115.22 116.72 1c16 n HIS 31 Ca -0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.42 1c16 n HIS 31 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.46 1c16 n HIS 31 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1c16 n PRO 32 N 0.00 0.00 -0.39 1.57 -0.02 -1.26 -4.59 135.00 130.31 1c16 n PRO 32 Ca 0.00 0.00 0.32 0.00 -2.02 0.00 0.00 63.50 61.80 1c16 n PRO 32 Cb 0.00 -0.67 0.59 0.00 -0.02 0.00 0.00 33.50 33.39 1c16 n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1c16 h SER 33 N 4.24 0.34 -2.25 2.55 4.64 -2.00 -3.40 113.55 117.67 1c16 h SER 33 Ca -0.04 0.16 -0.57 0.00 -0.47 0.00 0.00 61.79 60.87 1c16 h SER 33 Cb 0.63 0.14 0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1c16 h SER 33 CO 0.51 -0.18 1.08 -0.67 -0.87 0.00 0.00 176.83 176.70 1c16 n ASP 34 N -4.85 3.68 -3.59 4.97 2.03 -1.26 -4.95 116.55 112.58 1c16 n ASP 34 Ca 0.35 0.98 -0.17 0.00 0.52 0.00 0.00 54.79 56.47 1c16 n ASP 34 Cb 1.25 -1.45 -0.07 0.00 -0.72 0.00 0.00 41.12 40.13 1c16 n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1c16 s ILE 35 N 3.28 0.02 -0.18 5.18 2.07 -1.26 -4.67 121.20 125.64 1c16 s ILE 35 Ca 0.87 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.98 1c16 s ILE 35 Cb -0.59 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.12 1c16 s ILE 35 CO 0.44 -0.07 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.53 1c16 s GLU 36 N -1.19 3.08 -0.07 3.50 2.12 0.51 -4.97 118.70 121.67 1c16 s GLU 36 Ca -0.11 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.45 1c16 s GLU 36 Cb -0.02 -2.64 0.01 0.00 0.26 0.00 0.00 34.13 31.75 1c16 s GLU 36 CO 0.08 -0.17 -0.14 0.08 -0.54 0.00 0.00 175.26 174.58 1c16 s VAL 37 N 1.23 1.26 0.04 3.70 1.01 -1.26 0.80 120.40 127.18 1c16 s VAL 37 Ca 0.03 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1c16 s VAL 37 Cb -0.14 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1c16 s VAL 37 CO -0.09 0.38 -0.11 -1.81 0.00 0.00 0.00 175.10 173.47 1c16 s ASP 38 N 0.65 1.32 -0.03 3.32 1.01 -0.11 -4.99 116.67 117.85 1c16 s ASP 38 Ca -0.15 -0.46 -0.02 0.00 0.71 0.00 0.00 52.55 52.63 1c16 s ASP 38 Cb -0.16 -0.06 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 1c16 s ASP 38 CO 0.04 -0.04 0.13 -0.76 0.21 0.00 0.00 175.17 174.75 1c16 s LEU 39 N -1.20 4.15 -0.07 1.23 1.43 -1.26 0.10 118.68 123.06 1c16 s LEU 39 Ca -0.02 0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1c16 s LEU 39 Cb -0.08 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1c16 s LEU 39 CO 0.01 0.29 -0.10 -0.76 0.23 0.00 0.00 176.35 176.02 1c16 s LEU 40 N -1.69 1.51 -0.37 1.79 1.43 0.78 -0.81 118.68 121.31 1c16 s LEU 40 Ca 0.23 -0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1c16 s LEU 40 Cb -0.12 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.39 1c16 s LEU 40 CO 0.14 -0.01 0.17 -0.75 0.23 0.00 0.00 176.35 176.13 1c16 s LYS 41 N 0.88 2.65 -0.57 1.70 2.20 -1.05 -0.57 119.74 124.99 1c16 s LYS 41 Ca -0.11 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.27 1c16 s LYS 41 Cb -0.15 -3.61 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1c16 s LYS 41 CO 0.01 -0.75 0.00 0.09 -0.36 0.00 0.00 175.35 174.34 1c16 n ASN 42 N 4.88 -5.08 0.00 1.43 3.02 0.18 -2.08 115.26 117.62 1c16 n ASN 42 Ca -0.11 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1c16 n ASN 42 Cb 0.44 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 1c16 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c16 n GLY 43 N -0.43 0.63 3.57 7.41 0.00 -1.26 -5.06 105.19 110.05 1c16 n GLY 43 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1c16 n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c16 s GLU 44 N -0.68 3.84 -0.36 1.61 2.02 -0.88 -4.98 118.70 119.27 1c16 s GLU 44 Ca 0.00 -0.42 -0.39 0.00 0.02 0.00 0.00 54.97 54.19 1c16 s GLU 44 Cb 0.00 -3.14 -0.14 0.00 0.10 0.00 0.00 34.13 30.95 1c16 s GLU 44 CO 0.00 0.20 2.01 -2.13 0.02 0.00 0.00 175.26 175.36 1c16 n ARG 45 N 3.72 0.88 -2.21 1.61 0.63 -1.26 -2.52 116.66 117.52 1c16 n ARG 45 Ca -0.17 0.28 -0.41 0.00 -0.92 0.00 0.00 57.85 56.63 1c16 n ARG 45 Cb 0.52 -2.13 -0.03 0.00 0.45 0.00 0.00 32.46 31.27 1c16 n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1c16 s ILE 46 N 5.64 3.05 0.00 5.15 1.01 0.01 -4.96 121.20 131.10 1c16 s ILE 46 Ca 1.08 0.95 0.00 0.00 0.00 0.00 0.00 60.65 62.68 1c16 s ILE 46 Cb -1.07 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 37.79 1c16 s ILE 46 CO 0.59 0.18 0.00 -0.62 0.00 0.00 0.00 174.94 175.09 1c16 n GLU 47 N 1.81 0.00 -2.27 2.79 1.02 -1.26 -4.48 120.64 118.23 1c16 n GLU 47 Ca 0.03 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 1c16 n GLU 47 Cb 0.43 -0.29 -0.03 0.00 -0.02 0.00 0.00 31.44 31.53 1c16 n GLU 47 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1c16 s LYS 48 N 0.00 3.18 -0.06 3.49 2.20 -1.26 -4.97 119.74 122.32 1c16 s LYS 48 Ca 0.00 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 1c16 s LYS 48 Cb 0.00 -4.18 0.02 0.00 -1.51 0.00 0.00 37.83 32.16 1c16 s LYS 48 CO 0.00 -2.07 -0.03 0.08 -0.36 0.00 0.00 175.35 172.97 1c16 s VAL 49 N 6.71 0.55 0.32 4.02 1.01 -1.26 -4.72 120.40 127.03 1c16 s VAL 49 Ca 0.59 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.59 1c16 s VAL 49 Cb -0.13 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 1c16 s VAL 49 CO 0.25 0.25 0.04 -1.61 0.00 0.00 0.00 175.10 174.04 1c16 s GLU 50 N 1.35 2.22 0.13 2.72 2.02 -0.93 -4.97 118.70 121.25 1c16 s GLU 50 Ca -0.04 -1.59 -0.01 0.00 0.02 0.00 0.00 54.97 53.35 1c16 s GLU 50 Cb -0.13 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 1c16 s GLU 50 CO -0.02 0.20 0.05 -3.38 0.02 0.00 0.00 175.26 172.12 1c16 s HIS 51 N -2.43 0.90 0.94 1.61 -3.43 -1.26 -0.74 115.29 110.89 1c16 s HIS 51 Ca 0.35 -1.20 -0.15 0.00 -0.80 0.00 0.00 55.06 53.26 1c16 s HIS 51 Cb -0.03 -0.51 0.17 0.00 -1.43 0.00 0.00 32.58 30.78 1c16 s HIS 51 CO 0.20 -0.47 1.22 -1.54 -2.00 0.00 0.00 174.74 172.15 1c16 s SER 52 N -3.06 3.27 0.16 7.38 1.04 -0.35 -4.95 113.70 117.18 1c16 s SER 52 Ca 0.24 0.59 -0.29 0.00 0.48 0.00 0.00 55.95 56.96 1c16 s SER 52 Cb 0.07 -0.89 -0.07 0.00 0.10 0.00 0.00 66.02 65.23 1c16 s SER 52 CO 0.02 -2.67 0.93 -1.81 0.98 0.00 0.00 173.24 170.69 1c16 s ASP 53 N -4.50 7.54 0.39 7.02 1.01 -1.26 -4.72 116.67 122.15 1c16 s ASP 53 Ca 0.68 1.83 -0.24 0.00 0.71 0.00 0.00 52.55 55.53 1c16 s ASP 53 Cb -0.09 -2.59 -0.12 0.00 1.01 0.00 0.00 42.92 41.14 1c16 s ASP 53 CO 0.52 0.05 0.86 -0.11 0.21 0.00 0.00 175.17 176.70 1c16 n LEU 54 N 2.19 1.56 -3.69 1.23 7.94 -1.26 -4.92 117.00 120.06 1c16 n LEU 54 Ca -0.00 1.02 -0.07 0.00 -1.11 0.00 0.00 56.01 55.85 1c16 n LEU 54 Cb 0.48 -1.26 -0.02 0.00 0.53 0.00 0.00 43.42 43.16 1c16 n LEU 54 CO 0.50 -1.94 0.54 -0.55 -1.11 0.00 0.00 177.39 174.83 1c16 s SER 55 N -0.79 -0.32 0.06 1.96 0.15 -1.24 -5.04 113.70 108.48 1c16 s SER 55 Ca 0.63 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.96 1c16 s SER 55 Cb -0.61 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.27 1c16 s SER 55 CO 0.58 -1.07 -0.09 0.72 1.20 0.00 0.00 173.24 174.58 1c16 s PHE 56 N -3.63 0.82 0.53 3.44 -0.12 -1.26 -1.26 117.98 116.50 1c16 s PHE 56 Ca 0.08 -0.53 -0.06 0.00 -0.05 0.00 0.00 56.93 56.37 1c16 s PHE 56 Cb -0.03 -0.48 0.12 0.00 -0.63 0.00 0.00 43.02 42.00 1c16 s PHE 56 CO -0.01 -0.05 0.73 0.43 -0.05 0.00 0.00 175.22 176.27 1c16 n SER 57 N 1.27 0.33 -0.21 1.98 7.64 0.70 -4.89 113.62 120.43 1c16 n SER 57 Ca -0.21 -1.43 0.01 0.00 1.01 0.00 0.00 58.87 58.25 1c16 n SER 57 Cb 0.55 -0.53 0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1c16 n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1c16 h LYS 58 N 0.00 0.31 0.00 1.43 1.57 -2.02 -0.59 116.57 117.27 1c16 h LYS 58 Ca -0.24 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1c16 h LYS 58 Cb 0.72 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1c16 h LYS 58 CO 0.19 0.21 0.00 -0.40 -0.57 0.00 0.00 179.45 178.88 1c16 n ASP 59 N -5.08 0.00 0.00 0.86 5.75 -1.26 -4.83 116.55 111.99 1c16 n ASP 59 Ca 0.10 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.46 1c16 n ASP 59 Cb 0.33 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1c16 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1c16 n TRP 60 N -0.56 0.00 -2.15 2.11 7.02 -0.23 -5.03 117.44 118.60 1c16 n TRP 60 Ca 0.02 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.18 1c16 n TRP 60 Cb 0.01 -0.09 -0.00 0.00 -2.42 0.00 0.00 31.31 28.81 1c16 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1c16 s SER 61 N -3.03 6.04 0.72 -0.99 1.04 -1.26 -4.72 113.70 111.51 1c16 s SER 61 Ca 0.00 1.74 0.01 0.00 0.48 0.00 0.00 55.95 58.18 1c16 s SER 61 Cb 0.00 -2.53 0.14 0.00 0.10 0.00 0.00 66.02 63.73 1c16 s SER 61 CO 0.00 -0.99 0.99 -0.36 0.98 0.00 0.00 173.24 173.86 1c16 s PHE 62 N -2.51 1.29 -0.29 5.02 0.40 0.11 -0.22 117.98 121.78 1c16 s PHE 62 Ca 0.62 -0.43 -0.23 0.00 -0.60 0.00 0.00 56.93 56.29 1c16 s PHE 62 Cb -0.14 -2.86 0.14 0.00 0.51 0.00 0.00 43.02 40.67 1c16 s PHE 62 CO 0.35 -1.75 1.10 1.52 0.70 0.00 0.00 175.22 177.14 1c16 s TYR 63 N -3.11 -0.41 0.09 0.36 -0.85 -0.39 -1.14 117.35 111.91 1c16 s TYR 63 Ca 0.67 0.95 0.01 0.00 -0.52 0.00 0.00 57.07 58.18 1c16 s TYR 63 Cb -0.04 0.37 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 1c16 s TYR 63 CO 0.44 -0.20 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.71 1c16 s LEU 64 N 0.48 2.46 -0.22 -3.49 1.43 0.14 -3.60 118.68 115.88 1c16 s LEU 64 Ca 0.01 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1c16 s LEU 64 Cb -0.05 -0.01 0.06 0.00 0.03 0.00 0.00 46.19 46.23 1c16 s LEU 64 CO -0.10 -0.51 -0.04 -0.22 0.23 0.00 0.00 176.35 175.71 1c16 s LEU 65 N -3.03 2.24 -0.07 1.79 2.96 -1.26 -1.21 118.68 120.11 1c16 s LEU 65 Ca 0.12 -1.05 -0.13 0.00 -0.22 0.00 0.00 54.13 52.86 1c16 s LEU 65 Cb 0.06 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.63 1c16 s LEU 65 CO -0.05 -0.23 0.32 -0.31 -1.32 0.00 0.00 176.35 174.75 1c16 s TYR 66 N 1.49 3.64 0.17 5.38 1.51 0.10 -1.21 117.35 128.43 1c16 s TYR 66 Ca -0.04 0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 56.70 1c16 s TYR 66 Cb -0.18 -2.22 0.00 0.00 -0.11 0.00 0.00 41.96 39.45 1c16 s TYR 66 CO -0.07 0.57 0.35 1.52 -1.11 0.00 0.00 175.55 176.81 1c16 s TYR 67 N -0.71 0.27 -0.09 2.71 1.13 0.08 0.10 117.35 120.84 1c16 s TYR 67 Ca 0.20 -0.63 -0.24 0.00 -1.41 0.00 0.00 57.07 54.99 1c16 s TYR 67 Cb -0.15 0.06 0.05 0.00 -1.10 0.00 0.00 41.96 40.82 1c16 s TYR 67 CO 0.09 -0.77 0.56 -0.08 -2.51 0.00 0.00 175.55 172.83 1c16 s THR 68 N -3.95 0.01 -0.03 -3.49 -1.32 -0.68 -2.19 115.64 103.99 1c16 s THR 68 Ca 0.15 -0.12 -0.30 0.00 -1.21 0.00 0.00 61.69 60.21 1c16 s THR 68 Cb 0.02 -0.84 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 1c16 s THR 68 CO -0.00 -0.07 1.05 -0.70 -2.21 0.00 0.00 174.62 172.68 1c16 s GLU 69 N -0.77 4.47 0.24 7.08 2.12 -1.26 -0.39 118.70 130.20 1c16 s GLU 69 Ca -0.08 1.49 -0.07 0.00 0.36 0.00 0.00 54.97 56.66 1c16 s GLU 69 Cb -0.03 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 1c16 s GLU 69 CO 0.06 -0.21 0.36 -0.59 -0.54 0.00 0.00 175.26 174.33 1c16 s PHE 70 N 1.47 0.73 -0.33 5.30 -0.71 -0.52 -4.89 117.98 119.03 1c16 s PHE 70 Ca 0.52 -1.03 -0.02 0.00 -1.04 0.00 0.00 56.93 55.37 1c16 s PHE 70 Cb -0.22 -0.11 0.12 0.00 -1.21 0.00 0.00 43.02 41.60 1c16 s PHE 70 CO 0.24 -0.89 0.16 0.95 -1.34 0.00 0.00 175.22 174.35 1c16 s THR 71 N -3.95 0.31 0.87 -4.49 -4.23 -1.26 0.43 115.64 103.32 1c16 s THR 71 Ca 0.29 -1.34 -0.10 0.00 -1.18 0.00 0.00 61.69 59.36 1c16 s THR 71 Cb 0.02 -1.24 0.12 0.00 1.34 0.00 0.00 72.50 72.74 1c16 s THR 71 CO 0.12 -0.82 1.13 -2.16 -0.54 0.00 0.00 174.62 172.35 1c16 s PRO 72 N 1.52 1.36 0.05 3.99 0.04 -1.26 -4.75 135.00 135.96 1c16 s PRO 72 Ca 0.13 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.58 1c16 s PRO 72 Cb -0.19 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1c16 s PRO 72 CO -0.19 -2.36 0.05 0.95 0.04 0.00 0.00 177.00 175.48 1c16 s THR 73 N -2.71 0.17 -0.07 1.26 -4.23 -1.26 -1.89 115.64 106.91 1c16 s THR 73 Ca 0.65 -1.40 0.15 0.00 -1.18 0.00 0.00 61.69 59.92 1c16 s THR 73 Cb -0.21 -1.19 0.15 0.00 1.34 0.00 0.00 72.50 72.59 1c16 s THR 73 CO 0.57 -0.77 1.39 -0.62 -0.54 0.00 0.00 174.62 174.66 1c16 n GLU 74 N 0.41 0.10 -0.05 3.99 -0.58 -1.26 -3.36 120.64 119.89 1c16 n GLU 74 Ca -0.17 0.58 -0.10 0.00 -0.42 0.00 0.00 57.16 57.06 1c16 n GLU 74 Cb 0.60 -2.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 1c16 n GLU 74 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1c16 n LYS 75 N -2.09 0.33 -1.70 3.49 5.02 -1.26 -5.00 118.16 116.95 1c16 n LYS 75 Ca -0.01 0.13 -0.60 0.00 -2.02 0.00 0.00 58.31 55.81 1c16 n LYS 75 Cb 0.23 -1.06 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 1c16 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c16 n ASP 76 N -3.96 1.82 -4.66 4.39 8.00 -1.21 -4.95 116.55 115.98 1c16 n ASP 76 Ca -0.17 1.12 -0.35 0.00 0.71 0.00 0.00 54.79 56.11 1c16 n ASP 76 Cb 0.45 -1.05 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 1c16 n ASP 76 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1c16 s GLU 77 N 2.86 3.56 0.14 -1.24 2.12 -1.26 -4.63 118.70 120.25 1c16 s GLU 77 Ca 0.98 -0.37 0.11 0.00 0.36 0.00 0.00 54.97 56.05 1c16 s GLU 77 Cb -1.20 -3.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.12 1c16 s GLU 77 CO 0.68 0.46 -0.24 0.71 -0.54 0.00 0.00 175.26 176.33 1c16 s TYR 78 N -0.18 2.37 0.26 5.30 2.02 -1.26 0.49 117.35 126.35 1c16 s TYR 78 Ca 0.06 -0.35 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 1c16 s TYR 78 Cb -0.12 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 1c16 s TYR 78 CO 0.02 0.37 0.51 0.00 -1.57 0.00 0.00 175.55 174.88 1c16 s ALA 79 N -1.17 -0.28 -0.02 3.71 0.00 0.26 -0.40 121.76 123.86 1c16 s ALA 79 Ca 0.16 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.30 1c16 s ALA 79 Cb -0.10 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1c16 s ALA 79 CO 0.08 -0.87 -0.17 0.00 0.00 0.00 0.00 175.76 174.79 1c16 s ARG 81 N -0.27 2.85 -0.13 0.00 3.52 0.12 -1.43 118.95 123.59 1c16 s ARG 81 Ca 0.04 -0.96 -0.02 0.00 -0.13 0.00 0.00 55.73 54.66 1c16 s ARG 81 Cb -0.08 -2.88 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 1c16 s ARG 81 CO 0.00 -0.36 -0.08 0.08 -0.81 0.00 0.00 175.30 174.13 1c16 s VAL 82 N 1.30 3.50 -0.09 7.11 1.01 0.38 -0.93 120.40 132.69 1c16 s VAL 82 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1c16 s VAL 82 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1c16 s VAL 82 CO -0.06 0.52 -0.20 0.21 0.00 0.00 0.00 175.10 175.56 1c16 s ASN 83 N 0.22 2.71 0.03 3.32 2.47 0.24 -1.57 114.94 122.36 1c16 s ASN 83 Ca -0.05 -0.49 -0.17 0.00 0.42 0.00 0.00 52.86 52.57 1c16 s ASN 83 Cb -0.15 -1.24 0.03 0.00 -1.45 0.00 0.00 41.25 38.45 1c16 s ASN 83 CO 0.04 0.11 0.39 -2.28 -3.72 0.00 0.00 177.10 171.64 1c16 s HIS 84 N 0.49 -0.24 0.53 0.43 5.65 -1.26 -0.37 115.29 120.52 1c16 s HIS 84 Ca -0.17 0.23 0.28 0.00 0.25 0.00 0.00 55.06 55.65 1c16 s HIS 84 Cb -0.17 0.18 1.42 0.00 -1.18 0.00 0.00 32.58 32.84 1c16 s HIS 84 CO 0.06 -0.53 1.95 0.28 -0.65 0.00 0.00 174.74 175.85 1c16 h VAL 85 N 3.19 0.66 0.00 0.89 2.07 -1.94 0.32 116.25 121.45 1c16 h VAL 85 Ca -0.31 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1c16 h VAL 85 Cb 1.20 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1c16 h VAL 85 CO 0.43 0.00 0.00 0.35 0.02 0.00 0.00 177.57 178.37 1c16 n THR 86 N -4.34 0.00 -4.11 2.57 -2.24 -1.26 -4.81 114.28 100.09 1c16 n THR 86 Ca 0.14 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.56 1c16 n THR 86 Cb 0.76 -0.50 -0.08 0.00 -2.10 0.00 0.00 70.33 68.41 1c16 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1c16 s LEU 87 N -1.88 3.92 0.15 3.22 1.43 0.10 -4.92 118.68 120.69 1c16 s LEU 87 Ca 0.38 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.63 1c16 s LEU 87 Cb 0.17 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1c16 s LEU 87 CO 0.29 0.34 1.45 0.28 0.23 0.00 0.00 176.35 178.94 1c16 h SER 88 N 5.50 0.87 -5.01 2.29 0.02 -1.87 -3.46 113.55 111.90 1c16 h SER 88 Ca -0.49 -0.45 -0.11 0.00 -0.84 0.00 0.00 61.79 59.90 1c16 h SER 88 Cb 1.20 -0.25 -0.19 0.00 0.14 0.00 0.00 62.40 63.30 1c16 h SER 88 CO 0.60 1.22 -0.26 0.00 -1.14 0.00 0.00 176.83 177.26 1c16 s GLN 89 N -4.15 0.72 0.79 3.45 -2.07 -1.26 -5.15 119.66 111.99 1c16 s GLN 89 Ca -0.10 -0.27 -0.17 0.00 -1.82 0.00 0.00 55.36 53.01 1c16 s GLN 89 Cb 0.11 0.32 -0.10 0.00 -1.09 0.00 0.00 33.01 32.24 1c16 s GLN 89 CO 0.87 -0.21 -0.13 -2.30 -1.32 0.00 0.00 175.29 172.20 1c16 n PRO 90 N 1.06 0.05 -5.20 9.60 -0.02 -1.26 -4.98 135.00 134.25 1c16 n PRO 90 Ca -0.21 0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.00 1c16 n PRO 90 Cb 0.57 -1.32 -0.16 0.00 -0.02 0.00 0.00 33.50 32.57 1c16 n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1c16 s LYS 91 N -2.11 2.42 -0.06 -0.52 2.20 -0.61 -5.00 119.74 116.06 1c16 s LYS 91 Ca 0.53 -0.86 0.03 0.00 -0.36 0.00 0.00 55.97 55.31 1c16 s LYS 91 Cb -0.32 -2.06 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 1c16 s LYS 91 CO 0.70 0.36 -0.15 0.42 -0.36 0.00 0.00 175.35 176.33 1c16 s ILE 92 N -0.14 1.31 -0.11 5.43 1.01 -1.26 -0.47 121.20 126.97 1c16 s ILE 92 Ca -0.03 -0.60 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1c16 s ILE 92 Cb -0.13 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1c16 s ILE 92 CO 0.03 0.39 -0.21 -0.69 0.00 0.00 0.00 174.94 174.46 1c16 s VAL 93 N 0.47 1.90 0.28 2.92 1.01 -0.52 -4.96 120.40 121.51 1c16 s VAL 93 Ca -0.13 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.66 1c16 s VAL 93 Cb -0.15 -1.67 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 1c16 s VAL 93 CO 0.04 0.52 0.99 -0.54 0.00 0.00 0.00 175.10 176.11 1c16 s LYS 94 N 0.60 4.68 0.65 2.72 1.02 -1.26 -1.22 119.74 126.92 1c16 s LYS 94 Ca -0.13 1.53 -0.16 0.00 0.02 0.00 0.00 55.97 57.23 1c16 s LYS 94 Cb -0.17 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.06 1c16 s LYS 94 CO 0.04 0.33 1.13 -0.46 -0.92 0.00 0.00 175.35 175.47 1c16 s TRP 95 N -1.32 2.53 -0.13 3.18 -0.00 0.46 -4.94 118.94 118.72 1c16 s TRP 95 Ca 0.46 1.56 -0.04 0.00 -0.00 0.00 0.00 56.10 58.07 1c16 s TRP 95 Cb -0.25 -3.25 0.07 0.00 -0.00 0.00 0.00 33.47 30.03 1c16 s TRP 95 CO 0.32 -1.84 0.23 0.34 -0.00 0.00 0.00 176.95 176.00 1c16 s ASP 96 N -2.31 0.64 0.00 5.86 -1.08 -1.26 -4.88 116.67 113.64 1c16 s ASP 96 Ca 0.70 0.38 0.09 0.00 -0.52 0.00 0.00 52.55 53.19 1c16 s ASP 96 Cb -0.23 0.53 0.51 0.00 -1.46 0.00 0.00 42.92 42.27 1c16 s ASP 96 CO 0.39 -0.26 0.93 0.54 0.52 0.00 0.00 175.17 177.29 1c16 n ARG 97 N 5.34 0.37 0.00 4.34 1.74 -1.26 -2.77 116.66 124.42 1c16 n ARG 97 Ca -0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 1c16 n ARG 97 Cb 0.50 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1c16 n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1c16 n ASP 98 N -0.86 2.29 -0.04 0.55 8.00 -1.26 -4.80 116.55 120.43 1c16 n ASP 98 Ca 0.06 -0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.32 1c16 n ASP 98 Cb 0.03 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.10 1c16 n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61