#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2p n ASN 2 N 0.00 0.90 -3.87 1.20 6.94 -1.26 -1.28 115.26 117.90 1b2p n ASN 2 Ca 0.00 -1.00 -0.11 0.00 -0.02 0.00 0.00 54.58 53.45 1b2p n ASN 2 Cb 0.00 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.31 1b2p n ASN 2 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1b2p s ILE 3 N -0.00 0.05 -0.06 1.53 2.07 -1.26 -1.33 121.20 122.19 1b2p s ILE 3 Ca 0.00 -0.45 0.05 0.00 -1.41 0.00 0.00 60.65 58.84 1b2p s ILE 3 Cb 0.00 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.25 1b2p s ILE 3 CO 0.00 -0.25 -0.23 -0.63 -1.91 0.00 0.00 174.94 171.92 1b2p s ILE 4 N -0.83 2.23 0.05 2.00 1.01 -0.41 -4.38 121.20 120.86 1b2p s ILE 4 Ca -0.09 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.54 1b2p s ILE 4 Cb -0.05 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1b2p s ILE 4 CO 0.01 0.57 0.22 -0.36 0.00 0.00 0.00 174.94 175.38 1b2p s PHE 5 N -0.16 3.53 0.74 3.97 0.08 0.02 -0.78 117.98 125.36 1b2p s PHE 5 Ca -0.03 0.32 -0.13 0.00 0.12 0.00 0.00 56.93 57.22 1b2p s PHE 5 Cb -0.14 -1.81 0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1b2p s PHE 5 CO 0.04 0.59 1.11 -1.54 -0.10 0.00 0.00 175.22 175.32 1b2p s SER 6 N -2.32 4.56 0.20 1.36 1.04 -0.65 -4.32 113.70 113.56 1b2p s SER 6 Ca 0.33 1.97 -0.32 0.00 0.48 0.00 0.00 55.95 58.42 1b2p s SER 6 Cb -0.13 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.34 1b2p s SER 6 CO 0.25 -2.00 1.65 -0.75 0.98 0.00 0.00 173.24 173.37 1b2p s LYS 7 N -4.49 4.16 -0.12 4.02 2.20 0.04 -4.89 119.74 120.66 1b2p s LYS 7 Ca 0.65 2.51 -0.30 0.00 -0.36 0.00 0.00 55.97 58.47 1b2p s LYS 7 Cb -0.20 -3.10 0.11 0.00 -1.51 0.00 0.00 37.83 33.14 1b2p s LYS 7 CO 0.50 -0.68 0.92 1.14 -0.36 0.00 0.00 175.35 176.87 1b2p s GLN 8 N 0.99 0.71 -1.34 4.03 -2.07 -1.26 -4.56 119.66 116.16 1b2p s GLN 8 Ca 0.72 0.11 -0.09 0.00 -1.82 0.00 0.00 55.36 54.27 1b2p s GLN 8 Cb -0.47 0.33 0.12 0.00 -1.09 0.00 0.00 33.01 31.90 1b2p s GLN 8 CO 0.33 -0.24 2.12 -0.35 -1.32 0.00 0.00 175.29 175.83 1b2p n PRO 9 N 0.63 3.69 -3.98 9.60 -0.04 -1.26 -4.85 135.00 138.80 1b2p n PRO 9 Ca -0.12 -3.26 -0.11 0.00 -0.04 0.00 0.00 63.50 59.97 1b2p n PRO 9 Cb 0.58 -2.92 -0.03 0.00 -0.04 0.00 0.00 33.50 31.10 1b2p n PRO 9 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1b2p s ASP 10 N 1.24 0.36 -0.56 3.54 1.47 -1.26 -5.03 116.67 116.43 1b2p s ASP 10 Ca 0.46 -1.21 0.01 0.00 1.18 0.00 0.00 52.55 52.99 1b2p s ASP 10 Cb 0.13 0.70 0.55 0.00 -0.34 0.00 0.00 42.92 43.96 1b2p s ASP 10 CO -0.04 -1.36 1.97 -0.90 0.68 0.00 0.00 175.17 175.52 1b2p n ASP 11 N -1.09 5.78 -4.72 2.11 5.68 -1.26 -4.85 116.55 118.20 1b2p n ASP 11 Ca -0.02 -3.71 -0.42 0.00 -0.50 0.00 0.00 54.79 50.14 1b2p n ASP 11 Cb 0.61 -0.90 -0.03 0.00 -1.14 0.00 0.00 41.12 39.66 1b2p n ASP 11 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1b2p s ASN 12 N -1.62 7.09 -0.01 -1.12 0.02 -1.26 -4.99 114.94 113.05 1b2p s ASN 12 Ca 0.61 2.06 -0.10 0.00 -1.02 0.00 0.00 52.86 54.41 1b2p s ASN 12 Cb 0.49 -2.59 0.01 0.00 0.02 0.00 0.00 41.25 39.19 1b2p s ASN 12 CO 0.05 -0.44 0.21 -1.38 0.02 0.00 0.00 177.10 175.56 1b2p s HIS 13 N 0.78 -0.07 0.45 2.20 -3.43 -1.26 -4.49 115.29 109.47 1b2p s HIS 13 Ca 0.57 0.09 -0.19 0.00 -0.80 0.00 0.00 55.06 54.74 1b2p s HIS 13 Cb -0.30 0.02 -0.10 0.00 -1.43 0.00 0.00 32.58 30.77 1b2p s HIS 13 CO 0.31 -0.31 0.94 -1.25 -2.00 0.00 0.00 174.74 172.42 1b2p s PRO 14 N -1.22 4.10 0.00 -0.38 0.04 -1.26 -4.88 135.00 131.40 1b2p s PRO 14 Ca -0.13 1.00 0.06 0.00 0.04 0.00 0.00 61.00 61.98 1b2p s PRO 14 Cb -0.06 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1b2p s PRO 14 CO 0.02 -0.09 0.34 1.04 0.04 0.00 0.00 177.00 178.35 1b2p n GLN 15 N -0.95 4.07 -4.24 4.56 6.02 -1.26 -0.80 117.38 124.78 1b2p n GLN 15 Ca 0.06 -0.17 -0.17 0.00 -0.01 0.00 0.00 57.00 56.72 1b2p n GLN 15 Cb 0.54 -0.85 -0.15 0.00 1.02 0.00 0.00 30.24 30.80 1b2p n GLN 15 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1b2p s ILE 16 N -1.39 0.53 -0.35 5.09 1.01 -1.26 -3.97 121.20 120.86 1b2p s ILE 16 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 1b2p s ILE 16 Cb 0.05 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 42.08 1b2p s ILE 16 CO 0.22 0.16 0.17 -0.76 0.00 0.00 0.00 174.94 174.73 1b2p s LEU 17 N -0.06 4.51 0.81 2.97 1.43 -0.35 -4.96 118.68 123.03 1b2p s LEU 17 Ca 0.01 -0.95 -0.09 0.00 -1.03 0.00 0.00 54.13 52.07 1b2p s LEU 17 Cb -0.04 -1.98 0.13 0.00 0.03 0.00 0.00 46.19 44.33 1b2p s LEU 17 CO -0.00 -0.34 1.13 -1.00 0.23 0.00 0.00 176.35 176.37 1b2p s HIS 18 N 1.52 2.09 0.29 0.29 3.76 -1.26 -0.78 115.29 121.20 1b2p s HIS 18 Ca 0.02 0.22 -0.30 0.00 -0.15 0.00 0.00 55.06 54.85 1b2p s HIS 18 Cb -0.19 -3.50 -0.11 0.00 1.11 0.00 0.00 32.58 29.89 1b2p s HIS 18 CO 0.06 -1.96 1.60 0.00 -0.85 0.00 0.00 174.74 173.58 1b2p s ALA 19 N -3.47 3.75 0.00 -1.40 0.00 -1.04 -1.14 121.76 118.45 1b2p s ALA 19 Ca 0.67 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.20 1b2p s ALA 19 Cb -0.07 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1b2p s ALA 19 CO 0.48 -0.98 0.00 0.25 0.00 0.00 0.00 175.76 175.51 1b2p n THR 20 N 2.20 0.00 -2.63 0.00 -2.24 0.88 -4.94 114.28 107.55 1b2p n THR 20 Ca 0.08 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.58 1b2p n THR 20 Cb 0.37 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 1b2p n THR 20 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1b2p s GLU 21 N -0.47 3.58 0.16 -0.78 2.02 -0.30 -4.88 118.70 118.04 1b2p s GLU 21 Ca 0.00 0.27 -0.18 0.00 0.02 0.00 0.00 54.97 55.08 1b2p s GLU 21 Cb 0.00 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.90 1b2p s GLU 21 CO 0.00 -0.20 0.48 -1.54 0.02 0.00 0.00 175.26 174.02 1b2p s SER 22 N -3.96 -0.29 0.21 -0.19 1.04 -1.26 -1.99 113.70 107.26 1b2p s SER 22 Ca 0.48 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.52 1b2p s SER 22 Cb -0.10 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.49 1b2p s SER 22 CO 0.43 -0.95 0.47 -0.76 0.98 0.00 0.00 173.24 173.41 1b2p s LEU 23 N -2.82 4.18 -0.17 2.42 1.43 -0.37 -4.79 118.68 118.55 1b2p s LEU 23 Ca 0.05 0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 53.66 1b2p s LEU 23 Cb 0.00 -3.44 0.05 0.00 0.03 0.00 0.00 46.19 42.83 1b2p s LEU 23 CO -0.08 -0.05 0.49 -0.70 0.23 0.00 0.00 176.35 176.23 1b2p s GLU 24 N -3.01 0.58 0.17 1.70 2.12 -0.40 -0.45 118.70 119.41 1b2p s GLU 24 Ca 0.43 0.64 -0.07 0.00 0.36 0.00 0.00 54.97 56.33 1b2p s GLU 24 Cb -0.11 0.28 -0.02 0.00 0.26 0.00 0.00 34.13 34.54 1b2p s GLU 24 CO 0.26 -0.08 0.24 0.96 -0.54 0.00 0.00 175.26 176.10 1b2p s ILE 25 N 0.17 0.06 -0.03 -3.70 -4.36 -0.43 -3.94 121.20 108.98 1b2p s ILE 25 Ca -0.01 -1.54 0.03 0.00 -0.26 0.00 0.00 60.65 58.87 1b2p s ILE 25 Cb -0.03 -1.96 -0.03 0.00 1.25 0.00 0.00 42.46 41.68 1b2p s ILE 25 CO 0.01 -0.28 -0.10 -0.76 0.24 0.00 0.00 174.94 174.04 1b2p s LEU 26 N -3.00 2.98 -0.19 0.37 1.02 -1.26 -0.67 118.68 117.92 1b2p s LEU 26 Ca 0.21 -0.15 -0.04 0.00 0.02 0.00 0.00 54.13 54.17 1b2p s LEU 26 Cb 0.04 -1.67 0.08 0.00 0.02 0.00 0.00 46.19 44.67 1b2p s LEU 26 CO 0.02 0.33 0.18 0.12 0.02 0.00 0.00 176.35 177.02 1b2p s PHE 27 N -0.85 -0.14 0.00 0.29 5.36 -0.09 -4.99 117.98 117.57 1b2p s PHE 27 Ca 0.14 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 1b2p s PHE 27 Cb -0.11 -0.45 0.00 0.00 -0.34 0.00 0.00 43.02 42.12 1b2p s PHE 27 CO 0.03 -0.56 0.00 0.41 -1.46 0.00 0.00 175.22 173.64 1b2p n GLY 28 N 5.31 2.43 1.17 13.12 0.00 -1.26 -1.21 105.19 124.74 1b2p n GLY 28 Ca -0.06 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1b2p n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b2p n THR 29 N 0.00 1.20 -4.92 2.61 -2.24 -1.26 -4.94 114.28 104.73 1b2p n THR 29 Ca 0.00 -0.81 -0.33 0.00 -2.27 0.00 0.00 64.05 60.65 1b2p n THR 29 Cb 0.00 0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.14 1b2p n THR 29 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1b2p s HIS 30 N -1.69 2.69 -0.21 4.78 4.02 -0.35 -4.97 115.29 119.56 1b2p s HIS 30 Ca 0.36 -0.50 -0.08 0.00 1.02 0.00 0.00 55.06 55.86 1b2p s HIS 30 Cb 0.22 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.58 30.03 1b2p s HIS 30 CO 0.18 -0.08 0.09 0.08 1.02 0.00 0.00 174.74 176.03 1b2p s VAL 31 N -0.13 4.79 -0.16 -0.90 1.01 -1.26 -0.91 120.40 122.85 1b2p s VAL 31 Ca -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1b2p s VAL 31 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1b2p s VAL 31 CO 0.04 0.40 0.02 -0.31 0.00 0.00 0.00 175.10 175.25 1b2p s TYR 32 N 0.89 3.18 -0.04 5.22 2.02 0.15 -0.83 117.35 127.94 1b2p s TYR 32 Ca 0.05 -0.00 0.02 0.00 -0.37 0.00 0.00 57.07 56.77 1b2p s TYR 32 Cb -0.14 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.44 1b2p s TYR 32 CO 0.03 0.17 -0.08 1.03 -1.57 0.00 0.00 175.55 175.12 1b2p s ARG 33 N 0.11 1.03 -0.36 -0.62 0.52 -0.74 -1.31 118.95 117.59 1b2p s ARG 33 Ca 0.03 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1b2p s ARG 33 Cb -0.13 -0.95 0.10 0.00 0.52 0.00 0.00 34.95 34.49 1b2p s ARG 33 CO 0.01 0.06 0.09 0.12 0.02 0.00 0.00 175.30 175.60 1b2p s PHE 34 N 0.42 3.64 -0.06 -0.53 5.36 0.41 -0.40 117.98 126.82 1b2p s PHE 34 Ca -0.07 -2.68 0.04 0.00 -0.96 0.00 0.00 56.93 53.26 1b2p s PHE 34 Cb -0.11 -2.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.67 1b2p s PHE 34 CO 0.01 -0.94 -0.18 -1.50 -1.46 0.00 0.00 175.22 171.15 1b2p s ILE 35 N 1.02 1.52 -0.60 3.12 2.07 -0.14 -1.24 121.20 126.94 1b2p s ILE 35 Ca 0.08 -0.74 -0.26 0.00 -1.41 0.00 0.00 60.65 58.31 1b2p s ILE 35 Cb -0.20 -1.32 0.04 0.00 0.13 0.00 0.00 42.46 41.10 1b2p s ILE 35 CO -0.06 0.44 1.11 -0.32 -1.91 0.00 0.00 174.94 174.20 1b2p s MET 36 N 0.25 3.37 0.58 3.50 -2.45 -0.84 -1.17 119.30 122.54 1b2p s MET 36 Ca -0.10 -0.07 -0.09 0.00 -1.25 0.00 0.00 55.69 54.18 1b2p s MET 36 Cb -0.14 -4.07 -0.03 0.00 1.25 0.00 0.00 34.83 31.84 1b2p s MET 36 CO 0.04 -1.71 0.95 -0.65 1.05 0.00 0.00 175.02 174.70 1b2p s GLN 37 N 4.71 3.49 0.56 4.11 -0.21 -0.37 -0.09 119.66 131.87 1b2p s GLN 37 Ca 0.36 0.51 0.24 0.00 0.02 0.00 0.00 55.36 56.49 1b2p s GLN 37 Cb -0.10 -2.18 1.60 0.00 1.00 0.00 0.00 33.01 33.32 1b2p s GLN 37 CO 0.21 -0.49 2.21 1.79 -2.12 0.00 0.00 175.29 176.89 1b2p h THR 38 N -0.16 0.72 -0.11 -0.19 1.35 -1.92 -1.13 112.91 111.48 1b2p h THR 38 Ca -0.45 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1b2p h THR 38 Cb 1.20 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1b2p h THR 38 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 1b2p n ASP 39 N -4.13 0.91 0.00 5.36 5.75 -1.26 -4.45 116.55 118.74 1b2p n ASP 39 Ca -0.03 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1b2p n ASP 39 Cb 0.09 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1b2p n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b2p s ASN 41 N -2.23 6.46 -0.25 0.00 2.47 -1.26 -4.27 114.94 115.86 1b2p s ASN 41 Ca 0.00 0.54 -0.10 0.00 0.42 0.00 0.00 52.86 53.71 1b2p s ASN 41 Cb 0.00 -2.17 -0.05 0.00 -1.45 0.00 0.00 41.25 37.58 1b2p s ASN 41 CO 0.00 0.16 0.16 -0.22 -3.72 0.00 0.00 177.10 173.49 1b2p s LEU 42 N 0.12 4.04 0.05 3.21 2.96 -1.26 -1.24 118.68 126.57 1b2p s LEU 42 Ca 0.17 0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 1b2p s LEU 42 Cb -0.13 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1b2p s LEU 42 CO 0.05 0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.26 1b2p s VAL 43 N 1.32 1.13 -0.20 1.68 1.01 -0.32 -1.41 120.40 123.61 1b2p s VAL 43 Ca 0.07 -1.12 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 1b2p s VAL 43 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 1b2p s VAL 43 CO 0.07 -0.08 -0.01 -0.22 0.00 0.00 0.00 175.10 174.86 1b2p s LEU 44 N -1.37 3.21 -0.02 3.92 2.96 0.19 -0.97 118.68 126.59 1b2p s LEU 44 Ca 0.00 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1b2p s LEU 44 Cb -0.09 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1b2p s LEU 44 CO 0.02 0.07 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.66 1b2p s TYR 45 N 0.97 2.70 -0.33 5.38 1.51 0.47 -0.56 117.35 127.48 1b2p s TYR 45 Ca 0.01 -0.16 -0.05 0.00 -1.01 0.00 0.00 57.07 55.86 1b2p s TYR 45 Cb -0.14 -1.59 0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1b2p s TYR 45 CO 0.02 0.23 0.08 0.34 -1.11 0.00 0.00 175.55 175.11 1b2p s ASP 46 N -0.99 5.21 0.65 2.29 -1.08 0.10 -1.78 116.67 121.07 1b2p s ASP 46 Ca 0.13 -1.21 0.00 0.00 -0.52 0.00 0.00 52.55 50.95 1b2p s ASP 46 Cb -0.11 -1.83 0.00 0.00 -1.46 0.00 0.00 42.92 39.52 1b2p s ASP 46 CO 0.03 -0.32 0.00 0.59 0.52 0.00 0.00 175.17 175.98 1b2p n ASN 47 N 4.76 0.00 -1.62 -0.34 3.02 -0.01 -1.37 115.26 119.69 1b2p n ASN 47 Ca -0.12 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.48 1b2p n ASN 47 Cb 0.44 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 39.93 1b2p n ASN 47 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1b2p n ASN 48 N 2.68 4.78 -4.55 6.41 2.04 -1.26 -4.87 115.26 120.49 1b2p n ASN 48 Ca 0.00 -2.75 -0.37 0.00 -0.44 0.00 0.00 54.58 51.02 1b2p n ASN 48 Cb 0.00 -0.65 -0.11 0.00 -2.53 0.00 0.00 39.78 36.49 1b2p n ASN 48 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1b2p s ASN 49 N -0.62 5.62 0.03 0.53 0.01 -0.47 -5.05 114.94 114.97 1b2p s ASN 49 Ca 0.44 -0.06 -0.30 0.00 -0.71 0.00 0.00 52.86 52.23 1b2p s ASN 49 Cb 0.33 -2.01 -0.06 0.00 0.41 0.00 0.00 41.25 39.92 1b2p s ASN 49 CO 0.13 0.01 1.42 -2.16 -1.51 0.00 0.00 177.10 174.98 1b2p s PRO 50 N 1.37 4.28 -0.07 -0.60 0.04 -1.26 -0.72 135.00 138.04 1b2p s PRO 50 Ca 0.06 2.01 0.12 0.00 0.04 0.00 0.00 61.00 63.24 1b2p s PRO 50 Cb -0.15 -3.51 -0.18 0.00 0.04 0.00 0.00 34.50 30.70 1b2p s PRO 50 CO 0.06 -0.56 0.16 -0.89 0.04 0.00 0.00 177.00 175.80 1b2p n ILE 51 N 4.53 0.45 -3.56 0.56 2.08 0.27 -4.93 119.36 118.77 1b2p n ILE 51 Ca 0.13 -0.42 -0.16 0.00 0.56 0.00 0.00 62.75 62.86 1b2p n ILE 51 Cb 0.43 -0.27 -0.06 0.00 -0.75 0.00 0.00 39.64 38.99 1b2p n ILE 51 CO 0.00 0.00 0.00 0.86 0.56 0.00 0.00 176.55 177.97 1b2p s TRP 52 N -2.59 -0.65 0.13 1.39 -0.00 -1.15 -4.99 118.94 111.08 1b2p s TRP 52 Ca -0.06 1.27 -0.13 0.00 -0.00 0.00 0.00 56.10 57.18 1b2p s TRP 52 Cb 0.06 0.38 0.02 0.00 -0.00 0.00 0.00 33.47 33.92 1b2p s TRP 52 CO 0.53 -0.51 0.35 0.00 -0.00 0.00 0.00 176.95 177.32 1b2p s ALA 53 N -0.73 -0.60 -0.79 5.86 0.00 -1.26 -0.64 121.76 123.60 1b2p s ALA 53 Ca -0.07 -0.35 0.26 0.00 0.00 0.00 0.00 51.96 51.80 1b2p s ALA 53 Cb -0.02 0.69 0.94 0.00 0.00 0.00 0.00 23.12 24.73 1b2p s ALA 53 CO 0.06 -0.63 1.78 0.25 0.00 0.00 0.00 175.76 177.22 1b2p n THR 54 N -0.20 0.51 -3.20 0.00 -2.24 -0.50 -4.94 114.28 103.70 1b2p n THR 54 Ca -0.14 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.35 1b2p n THR 54 Cb 0.63 -0.69 0.05 0.00 -2.10 0.00 0.00 70.33 68.22 1b2p n THR 54 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1b2p n ASN 55 N -1.99 -5.83 -1.04 3.42 5.03 -1.26 -4.95 115.26 108.64 1b2p n ASN 55 Ca 0.05 -0.37 0.08 0.00 0.87 0.00 0.00 54.58 55.21 1b2p n ASN 55 Cb 0.35 -4.56 0.26 0.00 -1.02 0.00 0.00 39.78 34.82 1b2p n ASN 55 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1b2p n THR 56 N -4.57 1.90 -1.74 3.41 -2.24 -1.26 -5.03 114.28 104.74 1b2p n THR 56 Ca -0.05 -1.48 -0.42 0.00 -2.27 0.00 0.00 64.05 59.83 1b2p n THR 56 Cb 0.58 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1b2p n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b2p n GLY 57 N 0.16 1.15 2.42 3.38 0.00 -1.26 -1.73 105.19 109.32 1b2p n GLY 57 Ca 0.20 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1b2p n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b2p n GLY 58 N 1.55 1.49 0.05 -0.02 0.00 0.38 -4.92 105.19 103.71 1b2p n GLY 58 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1b2p n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b2p n LEU 59 N 0.00 0.45 -3.81 0.99 4.77 -0.71 -4.97 117.00 113.73 1b2p n LEU 59 Ca 0.00 0.46 0.01 0.00 -0.03 0.00 0.00 56.01 56.45 1b2p n LEU 59 Cb 0.00 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.72 1b2p n LEU 59 CO 0.00 -0.07 1.01 -0.83 -1.33 0.00 0.00 177.39 176.17 1b2p s GLY 60 N -3.31 -0.21 0.25 -0.72 0.00 -1.26 -5.06 107.32 97.02 1b2p s GLY 60 Ca 0.12 0.24 0.12 0.00 0.00 0.00 0.00 44.72 45.19 1b2p s GLY 60 CO 0.59 2.53 -0.21 -1.31 0.00 0.00 0.00 173.10 174.71 1b2p s ASN 61 N -3.36 3.50 -1.35 1.64 0.02 -1.26 -4.40 114.94 109.73 1b2p s ASN 61 Ca 0.21 -0.99 -0.06 0.00 -1.02 0.00 0.00 52.86 51.00 1b2p s ASN 61 Cb 0.01 -0.28 0.02 0.00 0.02 0.00 0.00 41.25 41.02 1b2p s ASN 61 CO -0.01 0.05 1.03 0.61 0.02 0.00 0.00 177.10 178.80 1b2p n GLY 62 N -0.39 -0.45 3.89 0.66 0.00 -1.26 -1.80 105.19 105.84 1b2p n GLY 62 Ca -0.07 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1b2p n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b2p s ARG 64 N -4.77 0.51 -0.06 0.00 1.70 0.14 -2.49 118.95 113.98 1b2p s ARG 64 Ca 0.50 -1.01 0.03 0.00 -0.47 0.00 0.00 55.73 54.77 1b2p s ARG 64 Cb -0.10 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 1b2p s ARG 64 CO 0.46 -0.09 -0.13 0.00 -1.08 0.00 0.00 175.30 174.46 1b2p s ALA 65 N -3.06 2.71 0.02 7.88 0.00 0.04 -0.57 121.76 128.78 1b2p s ALA 65 Ca -0.01 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1b2p s ALA 65 Cb 0.02 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 1b2p s ALA 65 CO -0.07 0.52 -0.07 0.08 0.00 0.00 0.00 175.76 176.23 1b2p s VAL 66 N -0.61 0.50 -0.29 0.00 1.01 -0.39 -1.21 120.40 119.40 1b2p s VAL 66 Ca 0.09 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1b2p s VAL 66 Cb -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1b2p s VAL 66 CO 0.01 -0.10 0.09 -0.22 0.00 0.00 0.00 175.10 174.88 1b2p s LEU 67 N -0.78 3.83 0.88 3.92 2.96 -1.25 -1.26 118.68 126.97 1b2p s LEU 67 Ca -0.03 -0.64 -0.12 0.00 -0.22 0.00 0.00 54.13 53.12 1b2p s LEU 67 Cb -0.06 -1.90 0.12 0.00 0.50 0.00 0.00 46.19 44.85 1b2p s LEU 67 CO 0.00 -0.18 1.14 -1.10 -1.32 0.00 0.00 176.35 174.89 1b2p s GLN 68 N 1.52 1.42 0.00 1.98 -0.21 0.16 -0.78 119.66 123.75 1b2p s GLN 68 Ca 0.03 0.33 0.21 0.00 0.02 0.00 0.00 55.36 55.95 1b2p s GLN 68 Cb -0.17 -1.87 1.06 0.00 1.00 0.00 0.00 33.01 33.03 1b2p s GLN 68 CO 0.03 -2.01 1.68 -2.30 -2.12 0.00 0.00 175.29 170.57 1b2p n PRO 69 N -3.65 0.27 -0.73 2.91 -0.02 -1.26 -0.71 135.00 131.82 1b2p n PRO 69 Ca 0.07 0.09 0.08 0.00 -2.02 0.00 0.00 63.50 61.71 1b2p n PRO 69 Cb 0.59 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.92 1b2p n PRO 69 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1b2p n ASP 70 N -1.31 5.07 0.00 2.55 5.75 -1.26 -0.43 116.55 126.92 1b2p n ASP 70 Ca 0.10 -2.95 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 1b2p n ASP 70 Cb 0.18 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 1b2p n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b2p n GLY 71 N 0.24 0.75 3.70 6.12 0.00 0.12 -0.67 105.19 115.45 1b2p n GLY 71 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1b2p n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b2p s VAL 72 N -2.86 5.12 -0.08 1.61 1.01 -1.25 -4.84 120.40 119.10 1b2p s VAL 72 Ca 0.00 1.12 -0.18 0.00 0.00 0.00 0.00 61.98 62.92 1b2p s VAL 72 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1b2p s VAL 72 CO 0.00 0.26 0.49 -0.22 0.00 0.00 0.00 175.10 175.63 1b2p s LEU 73 N 0.97 4.33 0.13 3.92 2.96 -1.26 -0.67 118.68 129.07 1b2p s LEU 73 Ca 0.29 0.91 0.07 0.00 -0.22 0.00 0.00 54.13 55.18 1b2p s LEU 73 Cb -0.16 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 1b2p s LEU 73 CO 0.12 0.06 -0.16 0.68 -1.32 0.00 0.00 176.35 175.74 1b2p s VAL 74 N 0.23 1.51 -0.09 1.68 -7.23 -0.39 -0.74 120.40 115.37 1b2p s VAL 74 Ca 0.27 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1b2p s VAL 74 Cb -0.16 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.13 1b2p s VAL 74 CO 0.12 -0.36 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.71 1b2p s VAL 75 N -2.05 2.92 -0.01 1.32 1.01 -0.58 -1.26 120.40 121.75 1b2p s VAL 75 Ca 0.11 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1b2p s VAL 75 Cb -0.05 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 34.15 1b2p s VAL 75 CO 0.04 0.56 -0.07 -0.63 0.00 0.00 0.00 175.10 175.00 1b2p s ILE 76 N -0.14 0.54 0.80 2.22 1.01 0.27 -0.63 121.20 125.26 1b2p s ILE 76 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 1b2p s ILE 76 Cb -0.14 -0.46 0.12 0.00 0.01 0.00 0.00 42.46 41.99 1b2p s ILE 76 CO 0.04 0.16 1.12 0.42 0.00 0.00 0.00 174.94 176.67 1b2p s THR 77 N -0.10 2.14 -1.16 2.92 -4.23 -0.05 -0.68 115.64 114.48 1b2p s THR 77 Ca 0.02 -0.23 0.16 0.00 -1.18 0.00 0.00 61.69 60.46 1b2p s THR 77 Cb -0.03 -2.91 0.19 0.00 1.34 0.00 0.00 72.50 71.09 1b2p s THR 77 CO -0.00 0.00 1.50 -0.46 -0.54 0.00 0.00 174.62 175.12 1b2p n ASN 78 N -3.19 0.00 -0.92 3.99 2.04 -0.75 -0.12 115.26 116.31 1b2p n ASN 78 Ca 0.12 0.33 0.08 0.00 -0.44 0.00 0.00 54.58 54.67 1b2p n ASN 78 Cb 0.60 -0.42 0.23 0.00 -2.53 0.00 0.00 39.78 37.66 1b2p n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1b2p n GLU 79 N -1.42 2.16 -2.68 -3.83 -0.58 -1.26 -4.96 120.64 108.07 1b2p n GLU 79 Ca 0.05 -1.80 -0.15 0.00 -0.42 0.00 0.00 57.16 54.84 1b2p n GLU 79 Cb 0.17 -1.40 0.02 0.00 -0.57 0.00 0.00 31.44 29.66 1b2p n GLU 79 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1b2p n ASN 80 N 0.97 -4.65 -4.65 1.62 5.03 0.83 -5.01 115.26 109.40 1b2p n ASN 80 Ca 0.17 -0.16 -0.36 0.00 0.87 0.00 0.00 54.58 55.10 1b2p n ASN 80 Cb 0.43 -3.58 -0.10 0.00 -1.02 0.00 0.00 39.78 35.52 1b2p n ASN 80 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1b2p s VAL 81 N -2.93 5.30 -0.14 2.41 1.01 -1.26 -4.85 120.40 119.95 1b2p s VAL 81 Ca 0.17 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 1b2p s VAL 81 Cb -0.07 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 1b2p s VAL 81 CO 0.21 0.35 1.21 -0.89 0.00 0.00 0.00 175.10 175.98 1b2p s THR 82 N 1.04 4.34 -0.96 3.92 2.01 -1.26 -0.87 115.64 123.86 1b2p s THR 82 Ca 0.07 1.64 0.11 0.00 0.31 0.00 0.00 61.69 63.82 1b2p s THR 82 Cb -0.13 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1b2p s THR 82 CO 0.04 -0.10 0.65 1.33 -0.69 0.00 0.00 174.62 175.85 1b2p n VAL 83 N 5.12 0.00 -3.59 3.82 0.24 0.20 -4.99 118.33 119.13 1b2p n VAL 83 Ca 0.13 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.34 61.90 1b2p n VAL 83 Cb 0.46 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.88 1b2p n VAL 83 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1b2p s TRP 84 N -1.50 -0.71 0.02 6.34 -0.00 -1.17 -4.96 118.94 116.96 1b2p s TRP 84 Ca 0.09 1.53 0.02 0.00 -0.00 0.00 0.00 56.10 57.74 1b2p s TRP 84 Cb 0.09 0.34 -0.02 0.00 -0.00 0.00 0.00 33.47 33.88 1b2p s TRP 84 CO 0.29 -0.46 -0.07 1.14 -0.00 0.00 0.00 176.95 177.85 1b2p s GLN 85 N -0.29 0.53 0.63 5.86 -2.07 -1.26 -1.53 119.66 121.53 1b2p s GLN 85 Ca -0.04 -0.54 -0.16 0.00 -1.82 0.00 0.00 55.36 52.81 1b2p s GLN 85 Cb -0.03 -0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 31.47 1b2p s GLN 85 CO 0.04 0.09 1.09 -1.54 -1.32 0.00 0.00 175.29 173.65 1b2p s SER 86 N -0.97 5.41 0.00 12.60 1.04 0.08 -4.94 113.70 126.91 1b2p s SER 86 Ca -0.04 1.94 0.26 0.00 0.48 0.00 0.00 55.95 58.58 1b2p s SER 86 Cb -0.07 -2.55 0.61 0.00 0.10 0.00 0.00 66.02 64.12 1b2p s SER 86 CO 0.00 -1.43 1.48 -0.81 0.98 0.00 0.00 173.24 173.46 1b2p n PRO 87 N -2.20 0.62 -5.11 4.02 -0.04 -1.26 -4.77 135.00 126.25 1b2p n PRO 87 Ca 0.10 -0.38 -0.29 0.00 -0.04 0.00 0.00 63.50 62.89 1b2p n PRO 87 Cb 0.52 -1.49 -0.16 0.00 -0.04 0.00 0.00 33.50 32.33 1b2p n PRO 87 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1b2p s VAL 88 N -2.65 1.82 0.10 0.52 0.11 -1.26 -5.13 120.40 113.91 1b2p s VAL 88 Ca 0.20 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.38 1b2p s VAL 88 Cb 0.19 -1.54 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1b2p s VAL 88 CO 0.58 0.51 -0.12 0.00 -3.33 0.00 0.00 175.10 172.74 1b2p s ALA 89 N -0.17 2.88 0.18 1.54 0.00 -1.26 -4.50 121.76 120.42 1b2p s ALA 89 Ca -0.01 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.69 1b2p s ALA 89 Cb -0.12 -0.83 0.01 0.00 0.00 0.00 0.00 23.12 22.18 1b2p s ALA 89 CO 0.02 0.63 0.10 0.41 0.00 0.00 0.00 175.76 176.92 1b2p n GLY 90 N 0.77 3.21 3.78 0.00 0.00 0.16 -5.05 105.19 108.05 1b2p n GLY 90 Ca -0.14 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.31 1b2p n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b2p s LYS 91 N -2.71 3.24 0.33 1.61 -2.85 -1.26 -4.71 119.74 113.38 1b2p s LYS 91 Ca 0.08 1.53 -0.29 0.00 -1.00 0.00 0.00 55.97 56.29 1b2p s LYS 91 Cb -0.01 -2.00 -0.10 0.00 -2.06 0.00 0.00 37.83 33.66 1b2p s LYS 91 CO 0.05 -0.93 1.36 0.00 0.10 0.00 0.00 175.35 175.94 1b2p s ALA 92 N -1.94 3.53 0.00 0.59 0.00 -1.26 -4.59 121.76 118.09 1b2p s ALA 92 Ca 0.71 1.33 0.00 0.00 0.00 0.00 0.00 51.96 54.00 1b2p s ALA 92 Cb -0.22 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1b2p s ALA 92 CO 0.30 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1b2p n GLY 93 N 0.97 0.35 3.01 0.00 0.00 0.43 -4.98 105.19 104.96 1b2p n GLY 93 Ca 0.01 0.37 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 1b2p n GLY 93 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1b2p s HIS 94 N 2.11 0.88 0.13 1.61 3.76 -1.26 -4.72 115.29 117.80 1b2p s HIS 94 Ca 0.00 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 54.73 1b2p s HIS 94 Cb 0.00 -0.61 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 1b2p s HIS 94 CO 0.00 -0.06 -0.02 0.71 -0.85 0.00 0.00 174.74 174.52 1b2p s TYR 95 N 0.03 1.00 0.07 1.40 1.51 -1.26 -2.77 117.35 117.33 1b2p s TYR 95 Ca -0.00 -1.01 0.05 0.00 -1.01 0.00 0.00 57.07 55.10 1b2p s TYR 95 Cb -0.06 -0.58 -0.03 0.00 -0.11 0.00 0.00 41.96 41.18 1b2p s TYR 95 CO 0.00 -0.23 -0.13 0.14 -1.11 0.00 0.00 175.55 174.21 1b2p s VAL 96 N -3.71 1.04 -0.11 0.71 -7.23 -0.29 -1.64 120.40 109.17 1b2p s VAL 96 Ca 0.18 -1.25 -0.02 0.00 -1.81 0.00 0.00 61.98 59.08 1b2p s VAL 96 Cb 0.06 -1.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.97 1b2p s VAL 96 CO -0.00 -0.23 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.29 1b2p s LEU 97 N -1.68 3.29 -0.06 1.32 0.20 0.04 -0.51 118.68 121.28 1b2p s LEU 97 Ca -0.03 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.80 1b2p s LEU 97 Cb -0.10 -1.75 0.00 0.00 -0.43 0.00 0.00 46.19 43.91 1b2p s LEU 97 CO 0.02 0.29 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.51 1b2p s VAL 98 N -0.36 1.44 -0.25 1.68 1.01 0.49 -1.29 120.40 123.12 1b2p s VAL 98 Ca 0.06 -0.69 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 1b2p s VAL 98 Cb -0.12 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 1b2p s VAL 98 CO 0.02 0.42 0.53 -0.22 0.00 0.00 0.00 175.10 175.85 1b2p s LEU 99 N 0.29 4.07 0.21 3.92 2.96 -0.44 -1.51 118.68 128.17 1b2p s LEU 99 Ca -0.10 0.57 0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1b2p s LEU 99 Cb -0.14 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1b2p s LEU 99 CO 0.04 -0.28 0.13 -1.10 -1.32 0.00 0.00 176.35 173.82 1b2p s GLN 100 N 2.21 2.79 0.58 1.98 -0.21 -0.36 -4.89 119.66 121.76 1b2p s GLN 100 Ca 0.22 -1.04 0.27 0.00 0.02 0.00 0.00 55.36 54.84 1b2p s GLN 100 Cb -0.16 -2.52 1.68 0.00 1.00 0.00 0.00 33.01 33.01 1b2p s GLN 100 CO 0.09 0.43 2.18 -1.35 -2.12 0.00 0.00 175.29 174.52 1b2p h PRO 101 N 2.00 0.00 -0.02 2.91 0.11 -1.95 -0.57 132.00 134.49 1b2p h PRO 101 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1b2p h PRO 101 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1b2p h PRO 101 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 1b2p n ASP 102 N -3.94 0.21 0.00 -2.05 5.68 -1.26 -4.90 116.55 110.29 1b2p n ASP 102 Ca -0.01 -1.33 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 1b2p n ASP 102 Cb 0.19 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1b2p n ASP 102 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1b2p n ARG 103 N -0.71 0.00 -2.90 0.11 0.63 -0.22 -5.03 116.66 108.54 1b2p n ARG 103 Ca 0.17 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.75 1b2p n ARG 103 Cb 0.11 -1.73 -0.06 0.00 0.45 0.00 0.00 32.46 31.23 1b2p n ARG 103 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1b2p s ASN 104 N -3.01 7.10 -0.20 6.15 3.84 -1.26 -4.83 114.94 122.73 1b2p s ASN 104 Ca 0.00 1.64 -0.03 0.00 0.21 0.00 0.00 52.86 54.68 1b2p s ASN 104 Cb 0.00 -2.51 -0.01 0.00 -0.55 0.00 0.00 41.25 38.18 1b2p s ASN 104 CO 0.00 -0.15 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.42 1b2p s VAL 105 N -1.81 3.40 -0.01 -5.21 1.01 -1.26 -1.22 120.40 115.30 1b2p s VAL 105 Ca 0.53 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1b2p s VAL 105 Cb -0.14 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1b2p s VAL 105 CO 0.19 0.45 -0.07 -0.69 0.00 0.00 0.00 175.10 174.98 1b2p s VAL 106 N 1.15 0.60 -0.20 2.92 1.01 -0.57 -4.94 120.40 120.37 1b2p s VAL 106 Ca 0.02 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.61 1b2p s VAL 106 Cb -0.14 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1b2p s VAL 106 CO -0.01 0.18 0.10 -0.63 0.00 0.00 0.00 175.10 174.75 1b2p s ILE 107 N 0.02 5.07 0.02 2.22 1.01 -1.26 -0.38 121.20 127.91 1b2p s ILE 107 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.79 1b2p s ILE 107 Cb -0.05 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1b2p s ILE 107 CO -0.00 0.43 -0.18 -0.31 0.00 0.00 0.00 174.94 174.88 1b2p s TYR 108 N 0.56 2.57 -4.30 3.97 2.02 0.33 -4.97 117.35 117.53 1b2p s TYR 108 Ca 0.06 -0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1b2p s TYR 108 Cb -0.12 -1.49 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 1b2p s TYR 108 CO 0.00 0.23 0.00 0.41 -1.57 0.00 0.00 175.55 174.62 1b2p n GLY 109 N 1.72 -1.82 3.66 0.71 0.00 -1.26 -1.13 105.19 107.06 1b2p n GLY 109 Ca -0.16 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 1b2p n GLY 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b2p s ASP 110 N -2.63 1.60 0.27 1.61 2.15 -1.26 -5.04 116.67 113.36 1b2p s ASP 110 Ca 0.00 0.69 -0.30 0.00 0.43 0.00 0.00 52.55 53.36 1b2p s ASP 110 Cb 0.00 -0.99 -0.11 0.00 -0.30 0.00 0.00 42.92 41.51 1b2p s ASP 110 CO 0.00 -3.71 1.60 0.00 -0.17 0.00 0.00 175.17 172.89 1b2p s ALA 111 N -3.13 3.77 -0.22 3.66 0.00 -1.12 -4.91 121.76 119.81 1b2p s ALA 111 Ca 0.70 1.55 0.03 0.00 0.00 0.00 0.00 51.96 54.24 1b2p s ALA 111 Cb -0.11 -3.65 -0.20 0.00 0.00 0.00 0.00 23.12 19.17 1b2p s ALA 111 CO 0.56 -0.95 -0.05 -0.11 0.00 0.00 0.00 175.76 175.21 1b2p n LEU 112 N 2.52 2.41 -3.51 0.00 7.94 -1.26 -5.01 117.00 120.09 1b2p n LEU 112 Ca 0.09 -0.04 -0.15 0.00 -1.11 0.00 0.00 56.01 54.80 1b2p n LEU 112 Cb 0.37 -0.70 -0.05 0.00 0.53 0.00 0.00 43.42 43.57 1b2p n LEU 112 CO 0.63 0.84 0.49 0.86 -1.11 0.00 0.00 177.39 179.11 1b2p s TRP 113 N -2.53 -0.58 0.06 1.96 -0.00 -1.26 -5.18 118.94 111.42 1b2p s TRP 113 Ca -0.28 0.87 -0.10 0.00 -0.00 0.00 0.00 56.10 56.59 1b2p s TRP 113 Cb 0.08 0.45 0.00 0.00 -0.00 0.00 0.00 33.47 34.00 1b2p s TRP 113 CO 0.67 -0.61 0.21 0.00 -0.00 0.00 0.00 176.95 177.22 1b2p s ALA 114 N -1.74 -0.34 0.29 5.86 0.00 -1.26 -5.03 121.76 119.55 1b2p s ALA 114 Ca -0.07 -0.41 0.25 0.00 0.00 0.00 0.00 51.96 51.73 1b2p s ALA 114 Cb -0.00 0.39 1.15 0.00 0.00 0.00 0.00 23.12 24.66 1b2p s ALA 114 CO 0.04 -0.44 1.94 1.79 0.00 0.00 0.00 175.76 179.09 1b2p h THR 115 N 3.08 0.63 -4.80 0.00 1.35 -2.07 -3.48 112.91 107.62 1b2p h THR 115 Ca -0.33 -0.88 -0.22 0.00 -0.55 0.00 0.00 66.41 64.43 1b2p h THR 115 Cb 1.20 1.57 0.14 0.00 -1.73 0.00 0.00 68.15 69.32 1b2p h THR 115 CO 0.52 0.19 -0.61 0.00 -0.25 0.00 0.00 175.52 175.36 1b2p n GLN 116 N -3.56 -3.37 -0.43 4.72 6.02 -1.26 -4.96 117.38 114.54 1b2p n GLN 116 Ca -0.01 0.65 0.07 0.00 -0.01 0.00 0.00 57.00 57.70 1b2p n GLN 116 Cb 0.34 -4.91 0.18 0.00 1.02 0.00 0.00 30.24 26.87 1b2p n GLN 116 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1b2p n THR 117 N -3.09 2.05 -1.67 5.09 -2.24 -1.26 -5.04 114.28 108.12 1b2p n THR 117 Ca -0.14 -2.86 -0.48 0.00 -2.27 0.00 0.00 64.05 58.31 1b2p n THR 117 Cb 0.61 -0.21 -0.05 0.00 -2.10 0.00 0.00 70.33 68.58 1b2p n THR 117 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1b2p n VAL 118 N -1.19 0.17 0.00 2.28 0.31 -1.26 -5.32 118.33 113.32 1b2p n VAL 118 Ca 0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1b2p n VAL 118 Cb 0.68 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1b2p n VAL 118 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05