#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1c s MET 3 N 0.00 4.30 -0.10 -1.46 0.00 -1.26 -4.95 119.30 115.83 1g1c s MET 3 Ca 0.00 1.48 0.01 0.00 0.00 0.00 0.00 55.69 57.18 1g1c s MET 3 Cb 0.00 -2.64 0.02 0.00 0.00 0.00 0.00 34.83 32.20 1g1c s MET 3 CO 0.00 -0.01 -0.12 -1.21 0.00 0.00 0.00 175.02 173.68 1g1c s GLU 4 N -2.33 1.93 0.52 3.16 2.02 0.14 -4.97 118.70 119.17 1g1c s GLU 4 Ca 0.55 -0.45 -0.22 0.00 0.02 0.00 0.00 54.97 54.87 1g1c s GLU 4 Cb -0.22 -1.72 -0.05 0.00 0.10 0.00 0.00 34.13 32.24 1g1c s GLU 4 CO 0.27 -0.11 1.31 0.00 0.02 0.00 0.00 175.26 176.75 1g1c s ALA 5 N 1.14 2.86 0.31 5.21 0.00 -1.26 -1.72 121.76 128.30 1g1c s ALA 5 Ca -0.04 1.23 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 1g1c s ALA 5 Cb -0.14 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.33 1g1c s ALA 5 CO -0.03 -1.19 1.28 -2.30 0.00 0.00 0.00 175.76 173.52 1g1c n PRO 6 N -0.89 1.99 -4.12 0.00 -0.02 -1.26 -4.72 135.00 125.99 1g1c n PRO 6 Ca 0.10 0.70 -0.25 0.00 -2.02 0.00 0.00 63.50 62.03 1g1c n PRO 6 Cb 0.46 -2.27 -0.17 0.00 -0.02 0.00 0.00 33.50 31.50 1g1c n PRO 6 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1g1c s LYS 7 N -1.49 1.38 -0.15 -0.52 1.02 0.63 -4.64 119.74 115.97 1g1c s LYS 7 Ca 0.59 -0.24 -0.25 0.00 0.02 0.00 0.00 55.97 56.09 1g1c s LYS 7 Cb -0.61 -1.37 -0.02 0.00 -0.52 0.00 0.00 37.83 35.32 1g1c s LYS 7 CO 0.59 -0.16 0.80 0.42 -0.92 0.00 0.00 175.35 176.08 1g1c s ILE 8 N 1.33 4.92 -0.11 2.17 1.01 -1.26 -1.62 121.20 127.64 1g1c s ILE 8 Ca -0.03 1.59 0.14 0.00 0.00 0.00 0.00 60.65 62.35 1g1c s ILE 8 Cb -0.14 -4.11 -0.24 0.00 0.01 0.00 0.00 42.46 37.98 1g1c s ILE 8 CO -0.03 0.07 0.40 0.49 0.00 0.00 0.00 174.94 175.87 1g1c n PHE 9 N 4.95 0.60 -3.77 3.97 3.72 0.90 -4.85 117.46 122.98 1g1c n PHE 9 Ca 0.03 0.21 -0.25 0.00 -0.05 0.00 0.00 57.45 57.40 1g1c n PHE 9 Cb 0.49 -1.11 -0.17 0.00 -0.94 0.00 0.00 39.48 37.75 1g1c n PHE 9 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1g1c s GLU 10 N -2.55 0.72 0.79 -1.08 2.02 -1.02 -4.95 118.70 112.62 1g1c s GLU 10 Ca -0.08 -0.09 -0.11 0.00 0.02 0.00 0.00 54.97 54.71 1g1c s GLU 10 Cb 0.07 -1.38 0.06 0.00 0.10 0.00 0.00 34.13 32.98 1g1c s GLU 10 CO 0.82 -0.40 1.09 1.03 0.02 0.00 0.00 175.26 177.82 1g1c s ARG 11 N 1.91 2.16 0.45 1.61 0.52 -1.26 -1.91 118.95 122.42 1g1c s ARG 11 Ca 0.03 0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 55.75 1g1c s ARG 11 Cb -0.14 -1.92 -0.08 0.00 0.52 0.00 0.00 34.95 33.32 1g1c s ARG 11 CO -0.06 -1.58 0.91 0.96 0.02 0.00 0.00 175.30 175.55 1g1c s ILE 12 N -3.14 4.56 0.08 1.52 -4.36 -1.25 -4.76 121.20 113.84 1g1c s ILE 12 Ca 0.61 1.14 0.09 0.00 -0.26 0.00 0.00 60.65 62.22 1g1c s ILE 12 Cb -0.14 -3.68 -0.03 0.00 1.25 0.00 0.00 42.46 39.85 1g1c s ILE 12 CO 0.54 -0.51 -0.22 -1.10 0.24 0.00 0.00 174.94 173.89 1g1c s GLN 13 N -3.70 1.80 0.51 0.37 -0.21 -1.26 -4.74 119.66 112.43 1g1c s GLN 13 Ca 0.58 -1.13 -0.22 0.00 0.02 0.00 0.00 55.36 54.60 1g1c s GLN 13 Cb -0.10 -2.06 -0.06 0.00 1.00 0.00 0.00 33.01 31.79 1g1c s GLN 13 CO 0.25 0.50 1.24 -1.12 -2.12 0.00 0.00 175.29 174.04 1g1c s SER 14 N -1.68 5.70 -0.01 5.90 0.01 -1.26 -4.79 113.70 117.57 1g1c s SER 14 Ca 0.15 2.48 0.05 0.00 1.31 0.00 0.00 55.95 59.93 1g1c s SER 14 Cb -0.10 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1g1c s SER 14 CO 0.06 -1.25 -0.16 -1.10 0.41 0.00 0.00 173.24 171.20 1g1c s GLN 15 N -2.88 1.26 -0.24 12.44 -1.52 -0.70 -4.95 119.66 123.08 1g1c s GLN 15 Ca 0.69 -0.59 0.01 0.00 -1.95 0.00 0.00 55.36 53.52 1g1c s GLN 15 Cb -0.33 -1.23 0.04 0.00 -0.22 0.00 0.00 33.01 31.27 1g1c s GLN 15 CO 0.39 0.34 -0.12 0.99 -0.25 0.00 0.00 175.29 176.63 1g1c s THR 16 N -0.41 2.31 0.00 -0.19 2.01 -1.26 -0.37 115.64 117.74 1g1c s THR 16 Ca 0.06 -1.32 0.06 0.00 0.31 0.00 0.00 61.69 60.81 1g1c s THR 16 Cb -0.06 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1g1c s THR 16 CO -0.00 0.17 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.21 1g1c s VAL 17 N 1.20 1.54 0.25 3.82 1.01 -0.35 -4.96 120.40 122.91 1g1c s VAL 17 Ca -0.03 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1g1c s VAL 17 Cb -0.17 -1.30 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 1g1c s VAL 17 CO -0.07 0.35 1.37 -0.83 0.00 0.00 0.00 175.10 175.92 1g1c s GLY 18 N -0.68 2.48 0.25 4.51 0.00 -1.26 -1.57 107.32 111.05 1g1c s GLY 18 Ca 0.07 1.24 -0.30 0.00 0.00 0.00 0.00 44.72 45.73 1g1c s GLY 18 CO 0.00 2.14 1.27 -0.18 0.00 0.00 0.00 173.10 176.33 1g1c n GLN 19 N 2.18 1.76 0.00 2.90 0.00 0.58 -0.49 117.38 124.31 1g1c n GLN 19 Ca 0.05 0.62 0.00 0.00 -0.00 0.00 0.00 57.00 57.68 1g1c n GLN 19 Cb 0.41 -2.18 0.00 0.00 0.00 0.00 0.00 30.24 28.47 1g1c n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1g1c n GLY 20 N 1.70 2.97 3.94 1.69 0.00 0.19 -4.83 105.19 110.85 1g1c n GLY 20 Ca 0.11 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1g1c n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g1c s SER 21 N 0.89 3.64 -0.11 1.61 0.01 0.36 -3.89 113.70 116.21 1g1c s SER 21 Ca 0.00 0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.47 1g1c s SER 21 Cb 0.00 -0.46 -0.04 0.00 0.21 0.00 0.00 66.02 65.73 1g1c s SER 21 CO 0.00 -2.39 0.04 -1.81 0.41 0.00 0.00 173.24 169.49 1g1c s ASP 22 N -4.79 5.53 -0.11 2.44 1.01 -1.26 -0.32 116.67 119.16 1g1c s ASP 22 Ca 0.70 0.19 -0.09 0.00 0.71 0.00 0.00 52.55 54.06 1g1c s ASP 22 Cb -0.06 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 1g1c s ASP 22 CO 0.50 0.34 0.18 0.00 0.21 0.00 0.00 175.17 176.41 1g1c s ALA 23 N -0.65 3.82 -0.04 5.23 0.00 0.23 -4.91 121.76 125.44 1g1c s ALA 23 Ca 0.11 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1g1c s ALA 23 Cb -0.12 -2.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1g1c s ALA 23 CO 0.02 0.54 -0.19 -1.01 0.00 0.00 0.00 175.76 175.12 1g1c s HIS 24 N -0.85 1.87 -0.02 0.00 3.76 -1.26 0.11 115.29 118.89 1g1c s HIS 24 Ca 0.16 -0.53 0.02 0.00 -0.15 0.00 0.00 55.06 54.55 1g1c s HIS 24 Cb -0.13 -1.25 0.00 0.00 1.11 0.00 0.00 32.58 32.32 1g1c s HIS 24 CO 0.05 -0.17 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.64 1g1c s PHE 25 N -0.03 0.70 -0.00 1.40 0.08 -0.11 -4.95 117.98 115.07 1g1c s PHE 25 Ca -0.03 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.87 1g1c s PHE 25 Cb -0.12 -0.52 -0.00 0.00 -0.57 0.00 0.00 43.02 41.81 1g1c s PHE 25 CO 0.02 -0.08 -0.03 1.03 -0.10 0.00 0.00 175.22 176.07 1g1c s ARG 26 N 0.22 0.24 -0.01 0.44 0.52 -1.26 -0.16 118.95 118.93 1g1c s ARG 26 Ca -0.03 -0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 1g1c s ARG 26 Cb -0.07 -0.23 -0.00 0.00 0.52 0.00 0.00 34.95 35.16 1g1c s ARG 26 CO -0.00 0.06 -0.09 0.54 0.02 0.00 0.00 175.30 175.83 1g1c s VAL 27 N -0.06 0.76 -0.23 3.52 0.11 -0.62 -3.95 120.40 119.93 1g1c s VAL 27 Ca 0.01 -0.40 -0.08 0.00 -2.93 0.00 0.00 61.98 58.58 1g1c s VAL 27 Cb -0.01 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 1g1c s VAL 27 CO -0.00 0.22 0.09 -0.60 -3.33 0.00 0.00 175.10 171.48 1g1c s ARG 28 N -0.13 3.83 -0.06 1.54 3.52 -0.80 -1.49 118.95 125.35 1g1c s ARG 28 Ca 0.02 -0.40 -0.10 0.00 -0.13 0.00 0.00 55.73 55.13 1g1c s ARG 28 Cb -0.05 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1g1c s ARG 28 CO -0.00 -0.02 0.24 0.54 -0.81 0.00 0.00 175.30 175.25 1g1c s VAL 29 N 1.19 0.03 0.25 7.11 0.11 0.24 -0.07 120.40 129.26 1g1c s VAL 29 Ca 0.05 -0.23 0.05 0.00 -2.93 0.00 0.00 61.98 58.92 1g1c s VAL 29 Cb -0.14 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1g1c s VAL 29 CO 0.04 -0.13 -0.04 0.68 -3.33 0.00 0.00 175.10 172.32 1g1c s VAL 30 N -0.45 1.40 0.00 2.04 -7.23 -0.64 -4.68 120.40 110.83 1g1c s VAL 30 Ca -0.06 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 1g1c s VAL 30 Cb -0.04 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.52 1g1c s VAL 30 CO 0.01 -0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1g1c n GLY 31 N -0.50 1.09 2.74 2.32 0.00 -1.26 -0.27 105.19 109.31 1g1c n GLY 31 Ca -0.06 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 1g1c n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1g1c s LYS 32 N -2.00 0.60 1.06 1.61 2.47 -0.70 -3.05 119.74 119.73 1g1c s LYS 32 Ca 0.00 -0.20 -0.12 0.00 -1.56 0.00 0.00 55.97 54.09 1g1c s LYS 32 Cb 0.00 -1.67 0.22 0.00 -1.46 0.00 0.00 37.83 34.92 1g1c s LYS 32 CO 0.00 -0.52 1.07 -2.14 0.16 0.00 0.00 175.35 173.92 1g1c s PRO 33 N 1.92 -0.05 0.02 4.03 0.02 -1.26 0.25 135.00 139.93 1g1c s PRO 33 Ca 0.02 0.89 -0.35 0.00 0.02 0.00 0.00 61.00 61.57 1g1c s PRO 33 Cb -0.15 -1.65 -0.14 0.00 0.02 0.00 0.00 34.50 32.58 1g1c s PRO 33 CO -0.07 -3.15 1.65 -0.25 -0.33 0.00 0.00 177.00 174.85 1g1c n ASP 34 N -4.52 2.88 -4.77 2.53 8.00 -1.17 -4.86 116.55 114.63 1g1c n ASP 34 Ca 0.05 1.05 -0.37 0.00 0.71 0.00 0.00 54.79 56.24 1g1c n ASP 34 Cb 0.55 -1.34 -0.01 0.00 -0.02 0.00 0.00 41.12 40.30 1g1c n ASP 34 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1g1c s PRO 35 N 2.11 3.74 0.51 -0.24 0.04 -1.26 -4.91 135.00 134.99 1g1c s PRO 35 Ca 0.86 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 1g1c s PRO 35 Cb -0.77 -2.40 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 1g1c s PRO 35 CO 0.47 -0.57 0.92 -1.21 0.04 0.00 0.00 177.00 176.64 1g1c s GLU 36 N -2.70 3.78 -0.11 4.56 2.02 0.69 -4.81 118.70 122.13 1g1c s GLU 36 Ca 0.64 0.69 0.02 0.00 0.02 0.00 0.00 54.97 56.34 1g1c s GLU 36 Cb -0.29 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.71 1g1c s GLU 36 CO 0.35 -0.27 -0.18 0.00 0.02 0.00 0.00 175.26 175.18 1g1c s GLU 38 N 0.22 1.52 0.06 0.00 2.02 -0.24 -4.98 118.70 117.30 1g1c s GLU 38 Ca -0.12 -0.47 0.07 0.00 0.02 0.00 0.00 54.97 54.48 1g1c s GLU 38 Cb -0.16 -1.32 -0.04 0.00 0.10 0.00 0.00 34.13 32.71 1g1c s GLU 38 CO 0.06 0.15 -0.15 -1.58 0.02 0.00 0.00 175.26 173.76 1g1c s TRP 39 N 0.25 2.63 -0.03 1.61 0.52 -1.26 0.23 118.94 122.88 1g1c s TRP 39 Ca -0.06 -0.21 0.02 0.00 0.02 0.00 0.00 56.10 55.87 1g1c s TRP 39 Cb -0.12 -1.45 0.00 0.00 -1.15 0.00 0.00 33.47 30.76 1g1c s TRP 39 CO 0.02 0.33 -0.09 0.71 0.02 0.00 0.00 176.95 177.94 1g1c s TYR 40 N -1.03 0.97 -0.26 -1.98 1.51 0.11 -0.05 117.35 116.61 1g1c s TYR 40 Ca 0.17 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1g1c s TYR 40 Cb -0.11 -0.69 0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1g1c s TYR 40 CO 0.08 -0.11 -0.06 0.21 -1.11 0.00 0.00 175.55 174.57 1g1c s LYS 41 N 0.21 2.65 -1.51 -0.62 2.20 -0.22 -0.81 119.74 121.64 1g1c s LYS 41 Ca -0.03 -1.10 -0.11 0.00 -0.36 0.00 0.00 55.97 54.36 1g1c s LYS 41 Cb -0.09 -3.01 0.07 0.00 -1.51 0.00 0.00 37.83 33.29 1g1c s LYS 41 CO 0.01 -0.47 0.90 0.09 -0.36 0.00 0.00 175.35 175.51 1g1c n ASN 42 N 4.62 -3.93 0.00 1.43 3.02 -0.13 -1.43 115.26 118.85 1g1c n ASN 42 Ca -0.15 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1g1c n ASN 42 Cb 0.45 -3.79 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 1g1c n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g1c n GLY 43 N -1.67 2.57 3.68 7.41 0.00 -1.26 -5.02 105.19 110.90 1g1c n GLY 43 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1g1c n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g1c s VAL 44 N -2.48 5.15 0.17 1.61 1.01 -0.51 -5.00 120.40 120.36 1g1c s VAL 44 Ca 0.00 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 62.55 1g1c s VAL 44 Cb 0.00 -3.80 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 1g1c s VAL 44 CO 0.00 0.24 1.55 -0.75 0.00 0.00 0.00 175.10 176.14 1g1c s LYS 45 N 1.26 4.22 0.09 2.72 2.20 -1.26 -1.06 119.74 127.91 1g1c s LYS 45 Ca 0.23 2.35 -0.30 0.00 -0.36 0.00 0.00 55.97 57.89 1g1c s LYS 45 Cb -0.15 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.96 1g1c s LYS 45 CO 0.09 -0.59 1.02 0.42 -0.36 0.00 0.00 175.35 175.93 1g1c s ILE 46 N 1.07 4.42 0.12 5.43 1.01 0.92 -4.91 121.20 129.26 1g1c s ILE 46 Ca 0.69 1.92 0.08 0.00 0.00 0.00 0.00 60.65 63.35 1g1c s ILE 46 Cb -0.43 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 1g1c s ILE 46 CO 0.32 0.25 -0.13 -1.61 0.00 0.00 0.00 174.94 173.77 1g1c s GLU 47 N 0.28 1.97 0.41 2.79 2.02 -1.26 -4.74 118.70 120.17 1g1c s GLU 47 Ca 0.50 -1.12 -0.25 0.00 0.02 0.00 0.00 54.97 54.12 1g1c s GLU 47 Cb -0.25 -2.21 -0.08 0.00 0.10 0.00 0.00 34.13 31.69 1g1c s GLU 47 CO 0.30 0.49 1.20 1.03 0.02 0.00 0.00 175.26 178.30 1g1c s ARG 48 N -2.24 4.01 0.36 1.61 0.52 -1.26 -4.77 118.95 117.17 1g1c s ARG 48 Ca 0.20 1.91 -0.05 0.00 -0.52 0.00 0.00 55.73 57.27 1g1c s ARG 48 Cb -0.11 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.71 1g1c s ARG 48 CO 0.12 -0.38 0.54 -1.54 0.02 0.00 0.00 175.30 174.07 1g1c s SER 49 N -1.06 0.77 0.51 0.23 1.04 -0.21 -5.01 113.70 109.97 1g1c s SER 49 Ca 0.58 -1.43 0.30 0.00 0.48 0.00 0.00 55.95 55.88 1g1c s SER 49 Cb -0.32 0.71 1.15 0.00 0.10 0.00 0.00 66.02 67.66 1g1c s SER 49 CO 0.41 -1.39 1.91 0.44 0.98 0.00 0.00 173.24 175.58 1g1c h ASP 50 N 2.08 0.00 0.11 7.02 3.32 -2.02 -3.29 116.42 123.64 1g1c h ASP 50 Ca -0.29 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.39 1g1c h ASP 50 Cb 1.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 1g1c h ASP 50 CO 0.39 0.05 -2.08 -1.14 -1.72 0.00 0.00 179.24 174.74 1g1c n ARG 51 N -3.16 0.74 -4.31 3.56 0.63 -1.26 -4.91 116.66 107.95 1g1c n ARG 51 Ca 0.01 0.24 -0.28 0.00 -0.92 0.00 0.00 57.85 56.90 1g1c n ARG 51 Cb 0.36 -1.68 -0.17 0.00 0.45 0.00 0.00 32.46 31.43 1g1c n ARG 51 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1g1c s ILE 52 N -2.55 1.34 0.25 5.15 1.01 -1.24 -0.51 121.20 124.66 1g1c s ILE 52 Ca -0.24 -0.54 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 1g1c s ILE 52 Cb 0.07 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 41.32 1g1c s ILE 52 CO 0.74 0.41 0.70 -0.72 0.00 0.00 0.00 174.94 176.08 1g1c s TYR 53 N 1.14 -0.26 0.15 3.97 -0.85 -1.03 -1.04 117.35 119.44 1g1c s TYR 53 Ca -0.04 -0.15 0.05 0.00 -0.52 0.00 0.00 57.07 56.42 1g1c s TYR 53 Cb -0.14 0.68 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 1g1c s TYR 53 CO -0.03 -1.15 -0.12 1.67 -1.52 0.00 0.00 175.55 174.40 1g1c s TRP 54 N -3.87 1.37 0.37 -3.49 -2.14 -1.26 -1.12 118.94 108.81 1g1c s TRP 54 Ca 0.09 -0.69 -0.11 0.00 2.66 0.00 0.00 56.10 58.05 1g1c s TRP 54 Cb -0.05 -0.68 0.05 0.00 -3.10 0.00 0.00 33.47 29.68 1g1c s TRP 54 CO 0.03 0.15 0.69 2.48 -2.66 0.00 0.00 176.95 177.64 1g1c n TYR 55 N -0.12 -2.11 -3.65 1.66 0.18 -0.13 -4.96 117.16 108.02 1g1c n TYR 55 Ca -0.11 -1.92 -0.37 0.00 1.88 0.00 0.00 57.90 57.39 1g1c n TYR 55 Cb 0.60 0.81 -0.07 0.00 -0.38 0.00 0.00 39.34 40.30 1g1c n TYR 55 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1g1c s TRP 56 N -2.55 3.70 0.57 -3.48 0.52 -1.26 -0.60 118.94 115.83 1g1c s TRP 56 Ca 0.18 -2.86 0.26 0.00 0.02 0.00 0.00 56.10 53.70 1g1c s TRP 56 Cb -0.04 -3.26 1.58 0.00 -1.15 0.00 0.00 33.47 30.61 1g1c s TRP 56 CO 0.14 -0.79 2.14 -1.00 0.02 0.00 0.00 176.95 177.46 1g1c h PRO 57 N 6.49 0.00 -4.24 4.98 0.13 -1.93 -3.42 132.00 134.01 1g1c h PRO 57 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 1g1c h PRO 57 Cb 0.88 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.86 1g1c h PRO 57 CO 0.79 0.00 -0.63 -1.21 -0.23 0.00 0.00 178.00 176.72 1g1c s GLU 58 N -4.78 0.73 0.54 0.86 2.02 -1.25 -5.03 118.70 111.79 1g1c s GLU 58 Ca -0.05 -1.25 0.24 0.00 0.02 0.00 0.00 54.97 53.93 1g1c s GLU 58 Cb 0.16 0.24 1.50 0.00 0.10 0.00 0.00 34.13 36.12 1g1c s GLU 58 CO 0.60 -0.17 2.15 -0.44 0.02 0.00 0.00 175.26 177.42 1g1c h ASP 59 N 3.02 0.00 -0.37 -0.19 3.32 -2.01 -2.51 116.42 117.68 1g1c h ASP 59 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1g1c h ASP 59 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1g1c h ASP 59 CO 0.63 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.79 1g1c n ASN 60 N -4.03 3.17 -4.07 6.45 3.02 -1.26 -4.93 115.26 113.61 1g1c n ASN 60 Ca -0.03 -2.14 -0.32 0.00 -0.03 0.00 0.00 54.58 52.07 1g1c n ASN 60 Cb 0.14 -0.30 -0.16 0.00 -0.61 0.00 0.00 39.78 38.85 1g1c n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1g1c s VAL 61 N -1.25 1.86 -0.18 2.41 1.01 -0.95 -0.59 120.40 122.71 1g1c s VAL 61 Ca 0.28 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1g1c s VAL 61 Cb 0.16 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1g1c s VAL 61 CO 0.16 0.42 0.05 0.00 0.00 0.00 0.00 175.10 175.73 1g1c s GLU 63 N 0.42 1.80 -0.10 0.00 2.12 0.23 -1.59 118.70 121.58 1g1c s GLU 63 Ca 0.02 -0.62 -0.04 0.00 0.36 0.00 0.00 54.97 54.69 1g1c s GLU 63 Cb -0.13 -1.57 -0.04 0.00 0.26 0.00 0.00 34.13 32.66 1g1c s GLU 63 CO 0.01 0.25 0.05 -1.17 -0.54 0.00 0.00 175.26 173.86 1g1c s LEU 64 N 0.01 3.87 -0.08 2.70 2.96 0.77 -0.96 118.68 127.96 1g1c s LEU 64 Ca -0.03 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1g1c s LEU 64 Cb -0.11 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1g1c s LEU 64 CO 0.02 0.38 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.63 1g1c s VAL 65 N -0.90 1.12 -0.27 1.68 1.01 -0.27 -0.94 120.40 121.83 1g1c s VAL 65 Ca 0.14 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1g1c s VAL 65 Cb -0.12 -1.05 0.07 0.00 0.00 0.00 0.00 36.38 35.28 1g1c s VAL 65 CO 0.03 0.36 -0.08 -0.63 0.00 0.00 0.00 175.10 174.78 1g1c s ILE 66 N 0.96 2.20 0.26 2.22 1.01 0.12 -2.45 121.20 125.51 1g1c s ILE 66 Ca -0.09 -1.75 -0.18 0.00 0.00 0.00 0.00 60.65 58.63 1g1c s ILE 66 Cb -0.15 -2.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 1g1c s ILE 66 CO 0.00 -0.13 0.72 -0.13 0.00 0.00 0.00 174.94 175.41 1g1c s ARG 67 N 1.07 4.15 -0.94 2.79 0.52 0.33 0.75 118.95 127.62 1g1c s ARG 67 Ca -0.06 0.78 -0.10 0.00 -0.52 0.00 0.00 55.73 55.83 1g1c s ARG 67 Cb -0.20 -2.71 0.01 0.00 0.52 0.00 0.00 34.95 32.57 1g1c s ARG 67 CO -0.05 0.31 0.64 -0.25 0.02 0.00 0.00 175.30 175.96 1g1c n ASP 68 N 0.31 -4.82 -4.75 0.23 8.00 -0.95 -4.87 116.55 109.70 1g1c n ASP 68 Ca -0.00 -1.02 -0.35 0.00 0.71 0.00 0.00 54.79 54.13 1g1c n ASP 68 Cb 0.52 -1.91 0.05 0.00 -0.02 0.00 0.00 41.12 39.75 1g1c n ASP 68 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1g1c s VAL 69 N -3.15 2.66 0.31 2.53 -7.23 0.56 -4.46 120.40 111.62 1g1c s VAL 69 Ca 0.15 0.38 0.05 0.00 -1.81 0.00 0.00 61.98 60.76 1g1c s VAL 69 Cb -0.08 -3.07 -0.06 0.00 0.56 0.00 0.00 36.38 33.73 1g1c s VAL 69 CO 0.91 -0.12 0.01 0.42 -0.31 0.00 0.00 175.10 176.01 1g1c s THR 70 N -1.77 1.45 0.45 5.32 -4.23 -1.26 0.54 115.64 116.13 1g1c s THR 70 Ca 0.75 -2.05 0.25 0.00 -1.18 0.00 0.00 61.69 59.46 1g1c s THR 70 Cb -0.29 -2.67 0.45 0.00 1.34 0.00 0.00 72.50 71.33 1g1c s THR 70 CO 0.36 -0.13 1.78 1.23 -0.54 0.00 0.00 174.62 177.32 1g1c h GLY 71 N 2.15 0.83 1.89 3.99 0.00 -1.96 0.72 103.07 110.68 1g1c h GLY 71 Ca -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1g1c h GLY 71 CO 0.70 -0.11 0.00 1.18 0.00 0.00 0.00 176.54 178.31 1g1c n GLU 72 N -4.49 0.03 0.00 4.80 1.02 -1.26 -2.40 120.64 118.34 1g1c n GLU 72 Ca 0.26 0.34 0.12 0.00 -0.02 0.00 0.00 57.16 57.85 1g1c n GLU 72 Cb 1.02 -1.50 0.19 0.00 -0.02 0.00 0.00 31.44 31.13 1g1c n GLU 72 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1g1c n ASP 73 N -1.44 0.62 -4.71 1.62 8.00 0.25 -4.91 116.55 115.97 1g1c n ASP 73 Ca 0.02 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.67 1g1c n ASP 73 Cb 0.08 0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 1g1c n ASP 73 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1g1c n SER 74 N -1.44 3.62 -3.63 -2.24 7.64 -1.01 -4.83 113.62 111.74 1g1c n SER 74 Ca 0.06 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1g1c n SER 74 Cb 0.34 -1.54 -0.01 0.00 -1.01 0.00 0.00 64.21 61.99 1g1c n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g1c s ALA 75 N 0.50 -2.17 0.03 -0.43 0.00 -0.11 -4.96 121.76 114.61 1g1c s ALA 75 Ca 0.70 0.77 -0.26 0.00 0.00 0.00 0.00 51.96 53.18 1g1c s ALA 75 Cb -0.55 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1g1c s ALA 75 CO 0.42 -0.99 0.80 -1.54 0.00 0.00 0.00 175.76 174.45 1g1c s SER 76 N -2.87 7.22 -0.12 0.00 1.04 -1.26 0.74 113.70 118.45 1g1c s SER 76 Ca 0.13 1.47 -0.00 0.00 0.48 0.00 0.00 55.95 58.02 1g1c s SER 76 Cb 0.04 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 1g1c s SER 76 CO -0.04 -0.05 -0.10 -0.63 0.98 0.00 0.00 173.24 173.40 1g1c s ILE 77 N 0.24 3.37 -0.02 -1.02 -1.09 0.22 -0.95 121.20 121.95 1g1c s ILE 77 Ca 0.41 -0.56 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1g1c s ILE 77 Cb -0.20 -2.42 0.01 0.00 -1.58 0.00 0.00 42.46 38.27 1g1c s ILE 77 CO 0.23 0.53 -0.04 -0.32 -1.23 0.00 0.00 174.94 174.12 1g1c s MET 78 N 0.06 0.48 -0.01 2.79 1.75 0.00 -1.27 119.30 123.10 1g1c s MET 78 Ca -0.03 -0.09 0.05 0.00 -1.25 0.00 0.00 55.69 54.36 1g1c s MET 78 Cb -0.14 -0.52 -0.03 0.00 2.84 0.00 0.00 34.83 36.98 1g1c s MET 78 CO 0.04 -0.00 -0.14 0.54 -0.65 0.00 0.00 175.02 174.80 1g1c s VAL 79 N 0.43 3.07 -0.09 10.11 0.11 -0.44 0.07 120.40 133.65 1g1c s VAL 79 Ca -0.05 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1g1c s VAL 79 Cb -0.08 -2.25 0.02 0.00 -1.53 0.00 0.00 36.38 32.53 1g1c s VAL 79 CO -0.00 0.47 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.37 1g1c s LYS 80 N -1.09 1.77 -0.19 1.54 2.20 0.13 -1.26 119.74 122.85 1g1c s LYS 80 Ca 0.14 -0.39 -0.07 0.00 -0.36 0.00 0.00 55.97 55.28 1g1c s LYS 80 Cb -0.11 -1.59 -0.04 0.00 -1.51 0.00 0.00 37.83 34.58 1g1c s LYS 80 CO 0.03 -0.10 0.06 0.00 -0.36 0.00 0.00 175.35 174.98 1g1c s ALA 81 N 1.11 3.39 0.02 3.13 0.00 -0.30 -1.08 121.76 128.03 1g1c s ALA 81 Ca -0.06 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.14 1g1c s ALA 81 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.04 1g1c s ALA 81 CO -0.02 0.14 -0.04 0.96 0.00 0.00 0.00 175.76 176.80 1g1c s ILE 82 N 0.44 0.22 0.36 0.00 -5.25 -0.54 -1.53 121.20 114.90 1g1c s ILE 82 Ca 0.03 -0.60 -0.07 0.00 -0.99 0.00 0.00 60.65 59.02 1g1c s ILE 82 Cb -0.13 -0.28 0.02 0.00 2.95 0.00 0.00 42.46 45.02 1g1c s ILE 82 CO 0.01 -0.25 0.58 0.54 -1.79 0.00 0.00 174.94 174.02 1g1c s ASN 83 N -0.90 0.62 0.35 4.36 2.20 -0.75 -0.22 114.94 120.61 1g1c s ASN 83 Ca -0.08 -1.37 0.25 0.00 -0.94 0.00 0.00 52.86 50.72 1g1c s ASN 83 Cb -0.06 0.72 1.27 0.00 -2.00 0.00 0.00 41.25 41.18 1g1c s ASN 83 CO -0.00 -1.42 1.75 0.16 -2.94 0.00 0.00 177.10 174.65 1g1c h ILE 84 N 2.07 0.00 0.00 0.54 3.07 -1.90 -2.34 117.51 118.95 1g1c h ILE 84 Ca -0.29 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1g1c h ILE 84 Cb 1.24 0.65 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 1g1c h ILE 84 CO 0.39 0.00 -0.89 0.00 -1.05 0.00 0.00 178.15 176.60 1g1c n ALA 85 N -1.82 3.28 0.00 0.16 0.00 -1.26 -5.06 120.51 115.81 1g1c n ALA 85 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1g1c n ALA 85 Cb 0.08 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1g1c n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g1c n GLY 86 N 1.37 -2.16 3.10 0.00 0.00 -0.88 -4.52 105.19 102.10 1g1c n GLY 86 Ca 0.02 -1.27 -0.07 0.00 0.00 0.00 0.00 46.02 44.70 1g1c n GLY 86 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g1c s GLU 87 N -1.98 0.64 0.09 1.61 -1.05 -1.26 -1.81 118.70 114.93 1g1c s GLU 87 Ca 0.00 -1.18 -0.12 0.00 -0.15 0.00 0.00 54.97 53.52 1g1c s GLU 87 Cb 0.00 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.93 1g1c s GLU 87 CO 0.00 -0.13 0.28 -0.08 0.95 0.00 0.00 175.26 176.28 1g1c s THR 88 N -3.87 0.11 0.11 1.83 -1.32 -0.58 -4.88 115.64 107.03 1g1c s THR 88 Ca 0.06 -0.90 -0.03 0.00 -1.21 0.00 0.00 61.69 59.61 1g1c s THR 88 Cb 0.07 -1.22 -0.03 0.00 -1.51 0.00 0.00 72.50 69.82 1g1c s THR 88 CO -0.10 -0.50 0.09 -0.94 -2.21 0.00 0.00 174.62 170.96 1g1c s SER 89 N -2.72 0.28 0.00 8.08 1.04 -1.26 -1.15 113.70 117.98 1g1c s SER 89 Ca 0.03 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.43 1g1c s SER 89 Cb 0.03 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 1g1c s SER 89 CO -0.10 -0.73 -0.03 -0.55 0.98 0.00 0.00 173.24 172.81 1g1c s SER 90 N -2.98 0.35 0.10 7.02 0.15 -0.38 -4.99 113.70 112.97 1g1c s SER 90 Ca 0.16 -0.12 0.08 0.00 0.70 0.00 0.00 55.95 56.77 1g1c s SER 90 Cb 0.07 -0.02 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 1g1c s SER 90 CO -0.03 -0.01 -0.21 -1.00 1.20 0.00 0.00 173.24 173.19 1g1c s HIS 91 N -0.27 1.82 0.37 3.44 0.09 -1.26 -1.33 115.29 118.15 1g1c s HIS 91 Ca -0.01 -0.41 -0.16 0.00 -0.00 0.00 0.00 55.06 54.48 1g1c s HIS 91 Cb -0.02 -1.00 0.06 0.00 -0.00 0.00 0.00 32.58 31.61 1g1c s HIS 91 CO -0.00 0.20 0.82 0.00 -0.00 0.00 0.00 174.74 175.76 1g1c s ALA 92 N -1.13 -0.81 0.20 -1.40 0.00 -0.40 -4.78 121.76 113.46 1g1c s ALA 92 Ca 0.07 -0.73 0.07 0.00 0.00 0.00 0.00 51.96 51.37 1g1c s ALA 92 Cb -0.10 0.68 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 1g1c s ALA 92 CO 0.04 -0.99 -0.13 -0.59 0.00 0.00 0.00 175.76 174.09 1g1c s PHE 93 N -2.21 1.67 -0.16 0.00 -0.12 -1.26 0.72 117.98 116.62 1g1c s PHE 93 Ca 0.16 -0.61 0.00 0.00 -0.05 0.00 0.00 56.93 56.43 1g1c s PHE 93 Cb -0.05 -0.81 0.00 0.00 -0.63 0.00 0.00 43.02 41.54 1g1c s PHE 93 CO 0.11 0.31 -0.16 -1.17 -0.05 0.00 0.00 175.22 174.26 1g1c s LEU 94 N -3.31 2.40 -0.26 -1.99 2.96 0.23 -1.73 118.68 116.98 1g1c s LEU 94 Ca 0.23 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1g1c s LEU 94 Cb 0.00 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.18 1g1c s LEU 94 CO 0.07 0.06 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.89 1g1c s LEU 95 N 0.93 3.39 -0.04 -0.68 2.96 0.50 -0.94 118.68 124.80 1g1c s LEU 95 Ca -0.03 -1.02 -0.18 0.00 -0.22 0.00 0.00 54.13 52.68 1g1c s LEU 95 Cb -0.15 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 1g1c s LEU 95 CO -0.02 -0.17 0.51 -0.69 -1.32 0.00 0.00 176.35 174.66 1g1c s VAL 96 N 1.29 5.03 -0.13 1.68 1.01 -1.26 -1.22 120.40 126.80 1g1c s VAL 96 Ca -0.02 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.00 1g1c s VAL 96 Cb -0.18 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1g1c s VAL 96 CO -0.04 0.43 -0.14 -1.10 0.00 0.00 0.00 175.10 174.25 1g1c s GLN 97 N -0.15 3.36 0.85 2.72 -0.21 -0.61 -4.92 119.66 120.70 1g1c s GLN 97 Ca 0.27 -0.70 -0.12 0.00 0.02 0.00 0.00 55.36 54.83 1g1c s GLN 97 Cb -0.17 -2.61 0.10 0.00 1.00 0.00 0.00 33.01 31.34 1g1c s GLN 97 CO 0.14 0.21 1.10 0.00 -2.12 0.00 0.00 175.29 174.62 1g1c s ALA 98 N 0.36 1.94 0.00 6.09 0.00 -1.26 -0.30 121.76 128.58 1g1c s ALA 98 Ca -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1g1c s ALA 98 Cb -0.16 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1g1c s ALA 98 CO 0.06 -2.02 0.00 1.63 0.00 0.00 0.00 175.76 175.43