#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p1b s ASN 16 N 0.00 1.68 0.13 1.08 2.20 -1.26 -0.34 114.94 118.43 2p1b s ASN 16 Ca 0.00 -0.20 0.09 0.00 -0.94 0.00 0.00 52.86 51.81 2p1b s ASN 16 Cb 0.00 -0.63 -0.04 0.00 -2.00 0.00 0.00 41.25 38.58 2p1b s ASN 16 CO 0.00 -0.11 -0.21 -0.31 -2.94 0.00 0.00 177.10 173.53 2p1b s TYR 17 N 1.50 1.86 0.43 1.54 1.51 -0.50 -4.94 117.35 118.74 2p1b s TYR 17 Ca -0.01 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.39 2p1b s TYR 17 Cb -0.13 -0.98 -0.08 0.00 -0.11 0.00 0.00 41.96 40.66 2p1b s TYR 17 CO -0.04 0.27 1.13 -1.17 -1.11 0.00 0.00 175.55 174.62 2p1b s LEU 18 N -2.21 4.08 -0.15 -1.29 1.98 -1.26 0.53 118.68 120.37 2p1b s LEU 18 Ca 0.11 2.22 -0.11 0.00 -2.89 0.00 0.00 54.13 53.45 2p1b s LEU 18 Cb -0.08 -4.19 0.04 0.00 0.66 0.00 0.00 46.19 42.62 2p1b s LEU 18 CO 0.05 -0.74 0.37 0.12 -1.89 0.00 0.00 176.35 174.27 2p1b s PHE 19 N -1.57 -0.45 0.15 5.38 5.36 -0.97 -4.67 117.98 121.21 2p1b s PHE 19 Ca 0.61 1.06 -0.19 0.00 -0.96 0.00 0.00 56.93 57.44 2p1b s PHE 19 Cb -0.27 0.17 0.05 0.00 -0.34 0.00 0.00 43.02 42.63 2p1b s PHE 19 CO 0.33 -0.24 0.50 0.20 -1.46 0.00 0.00 175.22 174.55 2p1b s GLY 20 N 0.58 -0.42 0.00 13.12 0.00 -1.26 -1.07 107.32 118.27 2p1b s GLY 20 Ca -0.03 0.18 0.00 0.00 0.00 0.00 0.00 44.72 44.87 2p1b s GLY 20 CO -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 173.10 172.97 2p1b s GLU 22 N -1.81 0.56 -0.05 0.00 2.12 -1.26 -3.47 118.70 114.80 2p1b s GLU 22 Ca 0.00 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.10 2p1b s GLU 22 Cb 0.00 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.66 2p1b s GLU 22 CO 0.00 -0.14 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.03 2p1b s LEU 23 N -1.24 1.26 -0.31 2.70 1.43 -0.06 -4.75 118.68 117.70 2p1b s LEU 23 Ca -0.13 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2p1b s LEU 23 Cb -0.06 -0.44 0.17 0.00 0.03 0.00 0.00 46.19 45.89 2p1b s LEU 23 CO 0.03 -0.07 0.47 -1.59 0.23 0.00 0.00 176.35 175.42 2p1b s LYS 24 N 1.02 0.52 0.00 1.70 -2.85 -1.17 -0.73 119.74 118.22 2p1b s LYS 24 Ca -0.10 0.09 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 2p1b s LYS 24 Cb -0.14 -0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.47 2p1b s LYS 24 CO -0.01 -1.07 0.00 0.00 0.10 0.00 0.00 175.35 174.37 2p1b n ALA 25 N 5.16 0.00 0.00 0.59 0.00 -1.24 0.43 120.51 125.46 2p1b n ALA 25 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2p1b n ALA 25 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2p1b n ALA 25 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2p1b n ASP 26 N 0.00 0.00 -3.72 0.00 -0.08 -1.26 -4.60 116.55 106.88 2p1b n ASP 26 Ca 0.00 0.21 -0.12 0.00 -1.51 0.00 0.00 54.79 53.37 2p1b n ASP 26 Cb 0.00 -0.21 -0.11 0.00 2.34 0.00 0.00 41.12 43.14 2p1b n ASP 26 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2p1b s LYS 27 N -2.38 0.35 0.42 -0.67 2.20 1.46 -5.17 119.74 115.95 2p1b s LYS 27 Ca 0.00 0.61 0.05 0.00 -0.36 0.00 0.00 55.97 56.28 2p1b s LYS 27 Cb 0.00 0.03 -0.06 0.00 -1.51 0.00 0.00 37.83 36.29 2p1b s LYS 27 CO 0.00 -0.12 0.02 -0.51 -0.36 0.00 0.00 175.35 174.38 2p1b s ASP 28 N 0.92 3.66 -0.08 1.43 1.01 -1.26 -3.06 116.67 119.29 2p1b s ASP 28 Ca -0.06 -1.43 0.03 0.00 0.71 0.00 0.00 52.55 51.79 2p1b s ASP 28 Cb -0.07 -0.15 0.01 0.00 1.01 0.00 0.00 42.92 43.72 2p1b s ASP 28 CO -0.07 -0.57 -0.17 -0.47 0.21 0.00 0.00 175.17 174.11 2p1b s TYR 29 N -2.85 1.90 -0.38 4.23 5.04 -0.80 -5.02 117.35 119.46 2p1b s TYR 29 Ca 0.29 -0.75 0.04 0.00 -2.44 0.00 0.00 57.07 54.21 2p1b s TYR 29 Cb 0.08 -1.33 0.11 0.00 0.35 0.00 0.00 41.96 41.17 2p1b s TYR 29 CO 0.15 -0.34 0.10 -1.01 -1.34 0.00 0.00 175.55 173.11 2p1b s HIS 30 N 0.56 3.43 -0.58 4.97 3.76 -1.26 -1.85 115.29 124.32 2p1b s HIS 30 Ca -0.16 -2.93 -0.28 0.00 -0.15 0.00 0.00 55.06 51.54 2p1b s HIS 30 Cb -0.17 -2.78 0.03 0.00 1.11 0.00 0.00 32.58 30.77 2p1b s HIS 30 CO 0.06 -0.89 1.17 0.12 -0.85 0.00 0.00 174.74 174.34 2p1b s PHE 31 N 0.68 2.61 0.03 1.40 5.36 -0.69 -4.98 117.98 122.40 2p1b s PHE 31 Ca 0.12 0.35 0.05 0.00 -0.96 0.00 0.00 56.93 56.49 2p1b s PHE 31 Cb -0.21 -4.47 -0.02 0.00 -0.34 0.00 0.00 43.02 37.98 2p1b s PHE 31 CO -0.07 -1.58 -0.13 -1.59 -1.46 0.00 0.00 175.22 170.38 2p1b s LYS 32 N 4.87 0.91 -0.64 10.12 -2.85 -1.26 -2.50 119.74 128.39 2p1b s LYS 32 Ca 0.41 -0.72 0.03 0.00 -1.00 0.00 0.00 55.97 54.69 2p1b s LYS 32 Cb -0.08 -0.90 0.16 0.00 -2.06 0.00 0.00 37.83 34.94 2p1b s LYS 32 CO 0.24 0.22 0.42 0.08 0.10 0.00 0.00 175.35 176.42 2p1b s VAL 33 N -0.81 3.00 -1.05 1.79 1.01 -1.26 -5.10 120.40 117.98 2p1b s VAL 33 Ca 0.01 -3.73 -0.03 0.00 0.00 0.00 0.00 61.98 58.23 2p1b s VAL 33 Cb -0.08 -3.00 0.21 0.00 0.00 0.00 0.00 36.38 33.52 2p1b s VAL 33 CO 0.01 -0.92 2.20 -0.90 0.00 0.00 0.00 175.10 175.49 2p1b n ASP 34 N 2.61 7.54 0.00 3.32 5.68 -1.26 -5.08 116.55 129.36 2p1b n ASP 34 Ca 0.13 -3.42 0.00 0.00 -0.50 0.00 0.00 54.79 50.99 2p1b n ASP 34 Cb 0.34 -1.24 0.00 0.00 -1.14 0.00 0.00 41.12 39.08 2p1b n ASP 34 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2p1b n GLU 39 N 0.72 0.00 -1.52 0.11 1.02 -1.26 -5.32 120.64 114.39 2p1b n GLU 39 Ca 0.54 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 57.37 2p1b n GLU 39 Cb 0.29 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 31.77 2p1b n GLU 39 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2p1b s HIS 40 N 0.00 2.77 -0.16 -0.32 3.76 -1.26 -1.67 115.29 118.41 2p1b s HIS 40 Ca 0.00 1.52 -0.25 0.00 -0.15 0.00 0.00 55.06 56.17 2p1b s HIS 40 Cb 0.00 -3.02 0.06 0.00 1.11 0.00 0.00 32.58 30.73 2p1b s HIS 40 CO 0.00 -1.56 0.64 -1.14 -0.85 0.00 0.00 174.74 171.84 2p1b s GLN 41 N -4.70 0.88 -0.39 1.40 2.00 -0.71 -4.79 119.66 113.35 2p1b s GLN 41 Ca 0.62 0.59 -0.03 0.00 -2.00 0.00 0.00 55.36 54.53 2p1b s GLN 41 Cb -0.17 0.42 0.10 0.00 0.80 0.00 0.00 33.01 34.16 2p1b s GLN 41 CO 0.51 -0.19 0.17 -1.17 -0.50 0.00 0.00 175.29 174.11 2p1b s LEU 42 N -0.36 5.00 -0.46 3.68 2.96 -0.05 -0.96 118.68 128.49 2p1b s LEU 42 Ca -0.05 -1.86 -0.19 0.00 -0.22 0.00 0.00 54.13 51.81 2p1b s LEU 42 Cb -0.03 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.88 2p1b s LEU 42 CO 0.05 -0.49 0.58 -0.55 -1.32 0.00 0.00 176.35 174.62 2p1b s SER 43 N 1.73 6.24 0.14 3.68 0.15 -0.13 -0.64 113.70 124.88 2p1b s SER 43 Ca 0.06 -0.69 -0.30 0.00 0.70 0.00 0.00 55.95 55.71 2p1b s SER 43 Cb -0.22 -2.28 -0.07 0.00 -1.71 0.00 0.00 66.02 61.74 2p1b s SER 43 CO -0.03 -0.78 0.99 -0.76 1.20 0.00 0.00 173.24 173.86 2p1b s LEU 44 N 2.55 4.52 0.00 3.45 1.43 0.05 -0.16 118.68 130.51 2p1b s LEU 44 Ca 0.16 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 2p1b s LEU 44 Cb -0.17 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2p1b s LEU 44 CO 0.14 -0.08 0.00 0.54 0.23 0.00 0.00 176.35 177.19 2p1b n ARG 45 N 2.53 0.00 -4.23 1.70 5.12 0.49 -0.20 116.66 122.07 2p1b n ARG 45 Ca 0.02 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.66 2p1b n ARG 45 Cb 0.48 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.69 2p1b n ARG 45 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2p1b s THR 46 N 0.00 3.49 -0.22 0.55 -4.23 -1.08 0.91 115.64 115.06 2p1b s THR 46 Ca 0.00 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 2p1b s THR 46 Cb 0.00 -2.72 0.05 0.00 1.34 0.00 0.00 72.50 71.18 2p1b s THR 46 CO 0.00 -0.06 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.26 2p1b s VAL 47 N -1.60 1.60 0.00 2.29 1.01 0.05 -0.85 120.40 122.91 2p1b s VAL 47 Ca 0.25 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.10 2p1b s VAL 47 Cb -0.10 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 2p1b s VAL 47 CO 0.16 0.00 -0.09 -0.94 0.00 0.00 0.00 175.10 174.23 2p1b s SER 48 N 1.38 1.07 0.08 3.32 1.04 0.55 -0.96 113.70 120.18 2p1b s SER 48 Ca -0.04 -0.23 -0.31 0.00 0.48 0.00 0.00 55.95 55.85 2p1b s SER 48 Cb -0.18 -0.10 -0.06 0.00 0.10 0.00 0.00 66.02 65.78 2p1b s SER 48 CO -0.07 0.07 1.26 -0.76 0.98 0.00 0.00 173.24 174.72 2p1b s LEU 49 N -0.44 4.37 0.82 2.42 1.43 -0.36 0.69 118.68 127.61 2p1b s LEU 49 Ca 0.02 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.14 2p1b s LEU 49 Cb -0.04 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.68 2p1b s LEU 49 CO -0.00 -0.53 1.10 -0.83 0.23 0.00 0.00 176.35 176.33 2p1b s GLY 50 N 1.05 1.67 0.35 -3.19 0.00 0.56 -4.87 107.32 102.90 2p1b s GLY 50 Ca 0.60 0.32 0.07 0.00 0.00 0.00 0.00 44.72 45.72 2p1b s GLY 50 CO 0.30 0.70 1.91 0.00 0.00 0.00 0.00 173.10 176.00 2p1b h ALA 51 N -1.35 1.76 -0.37 3.20 0.00 -1.95 -2.49 119.26 118.06 2p1b h ALA 51 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2p1b h ALA 51 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2p1b h ALA 51 CO 0.49 0.06 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2p1b n GLY 52 N -1.44 0.94 3.76 0.00 0.00 -1.26 -4.97 105.19 102.22 2p1b n GLY 52 Ca 0.14 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 2p1b n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p1b s ALA 53 N -1.51 3.01 0.86 4.61 0.00 -0.94 -4.82 121.76 122.96 2p1b s ALA 53 Ca 0.31 1.16 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 2p1b s ALA 53 Cb 0.17 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.92 2p1b s ALA 53 CO 0.23 -0.95 1.12 0.15 0.00 0.00 0.00 175.76 176.30 2p1b s LYS 54 N -2.64 1.58 -0.21 0.00 1.02 -1.26 -4.89 119.74 113.34 2p1b s LYS 54 Ca 0.64 0.44 -0.02 0.00 0.02 0.00 0.00 55.97 57.06 2p1b s LYS 54 Cb -0.35 -1.88 0.08 0.00 -0.52 0.00 0.00 37.83 35.16 2p1b s LYS 54 CO 0.43 -1.93 2.28 -3.47 -0.92 0.00 0.00 175.35 171.75 2p1b n ASP 55 N -3.61 6.00 -4.94 2.83 2.03 -1.26 -4.67 116.55 112.94 2p1b n ASP 55 Ca 0.07 -2.82 -0.20 0.00 0.52 0.00 0.00 54.79 52.35 2p1b n ASP 55 Cb 0.58 -1.14 0.05 0.00 -0.72 0.00 0.00 41.12 39.88 2p1b n ASP 55 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2p1b s GLU 56 N -0.96 2.43 -0.02 -0.67 -1.05 -1.26 -4.83 118.70 112.34 2p1b s GLU 56 Ca 0.29 -1.10 -0.28 0.00 -0.15 0.00 0.00 54.97 53.73 2p1b s GLU 56 Cb 0.20 -2.56 -0.03 0.00 -0.44 0.00 0.00 34.13 31.29 2p1b s GLU 56 CO -0.03 -0.74 0.89 -1.17 0.95 0.00 0.00 175.26 175.16 2p1b s LEU 57 N -4.70 4.36 -0.12 1.83 2.96 -1.26 -4.52 118.68 117.23 2p1b s LEU 57 Ca 0.59 1.52 0.03 0.00 -0.22 0.00 0.00 54.13 56.04 2p1b s LEU 57 Cb -0.09 -3.42 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2p1b s LEU 57 CO 0.38 -0.21 -0.21 -1.00 -1.32 0.00 0.00 176.35 173.99 2p1b s HIS 58 N 0.92 2.64 -0.25 5.38 3.76 -0.21 -3.55 115.29 123.98 2p1b s HIS 58 Ca 0.47 -1.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.34 2p1b s HIS 58 Cb -0.20 -1.77 0.06 0.00 1.11 0.00 0.00 32.58 31.79 2p1b s HIS 58 CO 0.25 -0.44 -0.07 0.42 -0.85 0.00 0.00 174.74 174.05 2p1b s ILE 59 N 0.49 1.85 0.05 0.60 1.01 -1.12 -0.07 121.20 124.00 2p1b s ILE 59 Ca -0.14 -1.46 -0.28 0.00 0.00 0.00 0.00 60.65 58.77 2p1b s ILE 59 Cb -0.17 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 2p1b s ILE 59 CO 0.05 -0.10 0.87 -0.69 0.00 0.00 0.00 174.94 175.08 2p1b s VAL 60 N 1.24 4.71 0.05 2.92 1.01 -0.54 -0.44 120.40 129.35 2p1b s VAL 60 Ca -0.06 1.86 0.09 0.00 0.00 0.00 0.00 61.98 63.86 2p1b s VAL 60 Cb -0.19 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 2p1b s VAL 60 CO -0.06 0.29 -0.24 -0.70 0.00 0.00 0.00 175.10 174.39 2p1b s GLU 61 N 0.28 1.83 -0.03 2.72 2.12 0.23 -1.08 118.70 124.78 2p1b s GLU 61 Ca 0.44 -1.10 0.04 0.00 0.36 0.00 0.00 54.97 54.72 2p1b s GLU 61 Cb -0.21 -2.03 -0.01 0.00 0.26 0.00 0.00 34.13 32.14 2p1b s GLU 61 CO 0.26 0.51 -0.16 0.00 -0.54 0.00 0.00 175.26 175.33 2p1b s ALA 62 N -0.86 1.38 -0.10 6.30 0.00 -0.04 -0.11 121.76 128.33 2p1b s ALA 62 Ca 0.13 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2p1b s ALA 62 Cb -0.10 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2p1b s ALA 62 CO 0.03 0.29 -0.20 -2.00 0.00 0.00 0.00 175.76 173.88 2p1b s GLU 63 N -0.15 2.65 0.00 0.00 2.12 0.39 -0.70 118.70 123.01 2p1b s GLU 63 Ca 0.01 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.60 2p1b s GLU 63 Cb -0.09 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.24 2p1b s GLU 63 CO 0.01 0.11 0.00 0.00 -0.54 0.00 0.00 175.26 174.83 2p1b n ALA 64 N 3.70 0.00 -2.70 6.30 0.00 -0.93 -0.71 120.51 126.17 2p1b n ALA 64 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 52.87 2p1b n ALA 64 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.91 2p1b n ALA 64 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2p1b s MET 65 N -0.29 4.03 0.00 0.00 1.00 -1.26 -0.05 119.30 122.72 2p1b s MET 65 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 55.69 55.83 2p1b s MET 65 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 34.83 31.50 2p1b s MET 65 CO 0.00 0.45 0.00 0.27 0.00 0.00 0.00 175.02 175.74 2p1b n ASN 66 N 2.85 0.00 0.35 3.03 6.94 -1.25 -4.93 115.26 122.24 2p1b n ASN 66 Ca -0.14 -0.68 -0.14 0.00 -0.02 0.00 0.00 54.58 53.60 2p1b n ASN 66 Cb 0.53 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.88 2p1b n ASN 66 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 2p1b h TYR 67 N -0.18 -0.85 0.00 -2.53 5.03 -1.99 -3.25 116.97 113.20 2p1b h TYR 67 Ca 0.00 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2p1b h TYR 67 Cb 0.00 0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.56 2p1b h TYR 67 CO 0.00 -0.52 0.08 0.39 -1.32 0.00 0.00 178.16 176.79 2p1b n GLU 68 N -5.39 0.00 0.00 1.82 4.71 -1.26 -4.79 120.64 115.73 2p1b n GLU 68 Ca -0.12 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 2p1b n GLU 68 Cb 0.37 -1.58 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 2p1b n GLU 68 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2p1b n GLY 69 N -0.97 2.38 3.68 0.62 0.00 -1.23 -5.05 105.19 104.63 2p1b n GLY 69 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2p1b n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p1b s SER 70 N -1.61 6.26 0.42 1.61 1.04 -1.26 -4.87 113.70 115.28 2p1b s SER 70 Ca 0.00 0.29 -0.26 0.00 0.48 0.00 0.00 55.95 56.46 2p1b s SER 70 Cb 0.00 -2.15 -0.10 0.00 0.10 0.00 0.00 66.02 63.87 2p1b s SER 70 CO 0.00 0.04 1.33 -0.81 0.98 0.00 0.00 173.24 174.78 2p1b n PRO 71 N 4.18 2.09 -4.28 4.02 -0.04 -1.26 -3.94 135.00 135.76 2p1b n PRO 71 Ca -0.13 0.74 -0.20 0.00 -0.04 0.00 0.00 63.50 63.88 2p1b n PRO 71 Cb 0.52 -2.46 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 2p1b n PRO 71 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2p1b s ILE 72 N -1.18 1.55 -0.17 0.52 -4.36 0.92 -4.94 121.20 113.54 2p1b s ILE 72 Ca 0.60 -1.83 -0.10 0.00 -0.26 0.00 0.00 60.65 59.06 2p1b s ILE 72 Cb -0.50 -1.69 -0.05 0.00 1.25 0.00 0.00 42.46 41.47 2p1b s ILE 72 CO 0.59 -0.39 0.17 -0.54 0.24 0.00 0.00 174.94 175.01 2p1b s LYS 73 N -2.78 4.04 0.06 0.37 1.02 -1.26 -2.20 119.74 118.99 2p1b s LYS 73 Ca 0.12 -0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.04 2p1b s LYS 73 Cb -0.05 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 2p1b s LYS 73 CO 0.05 0.40 -0.15 0.08 -0.92 0.00 0.00 175.35 174.81 2p1b s VAL 74 N 0.05 1.15 -0.23 3.17 1.01 0.12 -4.99 120.40 120.69 2p1b s VAL 74 Ca 0.12 -1.24 -0.15 0.00 0.00 0.00 0.00 61.98 60.71 2p1b s VAL 74 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2p1b s VAL 74 CO 0.01 -0.15 0.35 -0.89 0.00 0.00 0.00 175.10 174.42 2p1b s THR 75 N -1.15 5.21 -0.16 3.92 2.01 -1.26 -0.86 115.64 123.35 2p1b s THR 75 Ca -0.01 0.57 -0.19 0.00 0.31 0.00 0.00 61.69 62.38 2p1b s THR 75 Cb -0.09 -3.68 -0.23 0.00 0.01 0.00 0.00 72.50 68.50 2p1b s THR 75 CO 0.02 0.23 0.38 -0.07 -0.69 0.00 0.00 174.62 174.50 2p1b h LEU 76 N 7.98 0.17 -7.66 4.42 3.38 -1.46 -3.48 115.31 118.65 2p1b h LEU 76 Ca -0.35 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 56.88 2p1b h LEU 76 Cb 1.16 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 2p1b h LEU 76 CO 0.68 1.53 0.02 0.00 0.09 0.00 0.00 178.44 180.77 2p1b s ALA 77 N -2.41 -0.93 -0.15 1.53 0.00 -1.20 -5.00 121.76 113.60 2p1b s ALA 77 Ca -0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 2p1b s ALA 77 Cb 0.05 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.06 2p1b s ALA 77 CO 0.68 -0.80 -0.05 0.99 0.00 0.00 0.00 175.76 176.58 2p1b s THR 78 N -3.87 1.02 0.16 0.00 2.01 -1.26 -1.47 115.64 112.23 2p1b s THR 78 Ca 0.09 -0.52 0.08 0.00 0.31 0.00 0.00 61.69 61.65 2p1b s THR 78 Cb -0.01 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2p1b s THR 78 CO -0.03 0.16 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.12 2p1b s LEU 79 N 1.68 2.44 -0.22 4.42 1.43 0.90 -4.97 118.68 124.37 2p1b s LEU 79 Ca 0.02 -0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 52.20 2p1b s LEU 79 Cb -0.15 -0.80 0.11 0.00 0.03 0.00 0.00 46.19 45.38 2p1b s LEU 79 CO -0.08 -0.05 0.39 -0.75 0.23 0.00 0.00 176.35 176.10 2p1b s LYS 80 N -2.84 0.33 0.37 1.70 2.20 -0.97 -1.05 119.74 119.49 2p1b s LYS 80 Ca 0.16 0.78 0.23 0.00 -0.36 0.00 0.00 55.97 56.78 2p1b s LYS 80 Cb -0.05 -0.07 1.31 0.00 -1.51 0.00 0.00 37.83 37.51 2p1b s LYS 80 CO 0.06 -0.45 1.49 -0.12 -0.36 0.00 0.00 175.35 175.97 2p1b n MET 81 N 5.38 -0.05 -0.17 4.03 0.00 -1.26 0.11 117.12 125.16 2p1b n MET 81 Ca -0.06 1.27 0.11 0.00 -0.00 0.00 0.00 57.70 59.02 2p1b n MET 81 Cb 0.50 -2.34 0.26 0.00 0.00 0.00 0.00 33.22 31.64 2p1b n MET 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2p1b n SER 82 N -4.98 2.94 0.00 6.12 3.41 -1.26 -4.36 113.62 115.48 2p1b n SER 82 Ca 0.37 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 2p1b n SER 82 Cb 1.29 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 2p1b n SER 82 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2p1b n VAL 83 N 1.15 0.00 -3.04 -3.33 0.31 0.17 -5.04 118.33 108.55 2p1b n VAL 83 Ca 0.18 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.53 2p1b n VAL 83 Cb 0.52 -0.54 -0.00 0.00 -0.91 0.00 0.00 33.84 32.91 2p1b n VAL 83 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2p1b s GLN 84 N -1.73 0.51 0.25 5.55 0.74 0.30 -4.96 119.66 120.33 2p1b s GLN 84 Ca 0.00 -0.08 0.11 0.00 0.05 0.00 0.00 55.36 55.44 2p1b s GLN 84 Cb 0.00 0.08 0.26 0.00 1.10 0.00 0.00 33.01 34.46 2p1b s GLN 84 CO 0.00 -0.77 1.55 -1.35 -0.55 0.00 0.00 175.29 174.17 2p1b h PRO 85 N 6.55 0.00 -4.95 1.67 0.11 -1.76 -2.58 132.00 131.04 2p1b h PRO 85 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.61 2p1b h PRO 85 Cb 1.20 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.00 2p1b h PRO 85 CO 0.03 0.66 -0.82 0.99 -0.21 0.00 0.00 178.00 178.65 2p1b s THR 86 N -3.38 1.15 -0.10 -1.15 2.01 -1.26 -1.23 115.64 111.67 2p1b s THR 86 Ca -0.00 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.46 2p1b s THR 86 Cb 0.12 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.64 2p1b s THR 86 CO 0.76 0.34 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.19 2p1b s VAL 87 N 0.16 1.53 -0.29 3.82 1.01 -0.13 -5.00 120.40 121.49 2p1b s VAL 87 Ca -0.05 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 2p1b s VAL 87 Cb -0.11 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2p1b s VAL 87 CO 0.02 0.45 0.17 -0.55 0.00 0.00 0.00 175.10 175.18 2p1b s SER 88 N 0.89 5.78 0.16 3.32 0.15 -1.26 -0.77 113.70 121.98 2p1b s SER 88 Ca -0.08 -0.23 0.24 0.00 0.70 0.00 0.00 55.95 56.57 2p1b s SER 88 Cb -0.15 -2.07 0.28 0.00 -1.71 0.00 0.00 66.02 62.37 2p1b s SER 88 CO -0.00 -0.12 1.29 -0.07 1.20 0.00 0.00 173.24 175.54 2p1b h LEU 89 N 8.37 0.00 -2.62 3.45 3.38 0.27 -3.49 115.31 124.67 2p1b h LEU 89 Ca -0.34 -0.14 -0.41 0.00 0.09 0.00 0.00 57.88 57.07 2p1b h LEU 89 Cb 1.17 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.00 2p1b h LEU 89 CO 0.59 0.07 -0.90 0.61 0.09 0.00 0.00 178.44 178.90 2p1b n GLY 90 N 1.29 -0.76 1.04 0.83 0.00 -1.16 -3.88 105.19 102.53 2p1b n GLY 90 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2p1b n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2p1b n GLY 91 N -1.63 0.89 3.56 -0.02 0.00 0.72 -4.99 105.19 103.73 2p1b n GLY 91 Ca -0.16 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2p1b n GLY 91 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2p1b s PHE 92 N -2.69 2.13 0.17 1.61 5.99 0.10 -4.67 117.98 120.63 2p1b s PHE 92 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 56.93 56.96 2p1b s PHE 92 Cb 0.00 -4.42 -0.07 0.00 0.00 0.00 0.00 43.02 38.53 2p1b s PHE 92 CO 0.00 -2.10 1.00 -1.21 -0.00 0.00 0.00 175.22 172.91 2p1b s GLU 93 N 5.98 4.71 -0.01 10.12 2.02 -1.26 -0.77 118.70 139.49 2p1b s GLU 93 Ca 0.49 1.55 0.01 0.00 0.02 0.00 0.00 54.97 57.04 2p1b s GLU 93 Cb -0.10 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.83 2p1b s GLU 93 CO 0.20 0.27 -0.02 0.42 0.02 0.00 0.00 175.26 176.14 2p1b s ILE 94 N -0.47 0.23 -0.15 -1.63 1.01 0.19 -4.96 121.20 115.41 2p1b s ILE 94 Ca 0.46 -0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.85 2p1b s ILE 94 Cb -0.26 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 2p1b s ILE 94 CO 0.32 0.10 0.57 -0.89 0.00 0.00 0.00 174.94 175.05 2p1b s THR 95 N 0.36 5.09 0.69 2.92 2.01 -1.26 -0.87 115.64 124.58 2p1b s THR 95 Ca -0.03 1.11 -0.16 0.00 0.31 0.00 0.00 61.69 62.92 2p1b s THR 95 Cb -0.06 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2p1b s THR 95 CO -0.01 0.21 1.17 -2.16 -0.69 0.00 0.00 174.62 173.15 2p1b s PRO 96 N 1.30 2.46 0.64 4.92 0.04 -1.26 -4.51 135.00 138.60 2p1b s PRO 96 Ca 0.28 1.65 -0.15 0.00 0.04 0.00 0.00 61.00 62.82 2p1b s PRO 96 Cb -0.16 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2p1b s PRO 96 CO 0.11 -1.56 1.09 -2.14 0.04 0.00 0.00 177.00 174.54 2p1b s PRO 97 N -3.88 2.99 -0.07 0.56 0.02 -1.26 -4.98 135.00 128.37 2p1b s PRO 97 Ca 0.72 1.30 -0.22 0.00 0.02 0.00 0.00 61.00 62.82 2p1b s PRO 97 Cb -0.26 -1.98 0.05 0.00 0.02 0.00 0.00 34.50 32.32 2p1b s PRO 97 CO 0.42 -1.09 0.50 0.54 -0.33 0.00 0.00 177.00 177.05 2p1b s VAL 98 N -2.42 0.02 -0.15 3.83 0.11 -1.04 -4.50 120.40 116.25 2p1b s VAL 98 Ca 0.65 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 59.51 2p1b s VAL 98 Cb -0.18 -0.79 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 2p1b s VAL 98 CO 0.41 -0.10 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.31 2p1b s VAL 99 N -0.93 1.22 0.09 2.04 1.01 0.12 -1.70 120.40 122.24 2p1b s VAL 99 Ca -0.10 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 2p1b s VAL 99 Cb -0.03 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.00 2p1b s VAL 99 CO 0.06 0.25 0.46 -0.76 0.00 0.00 0.00 175.10 175.11 2p1b s LEU 100 N 1.61 4.38 0.00 3.92 1.43 -0.77 -0.46 118.68 128.78 2p1b s LEU 100 Ca 0.02 0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 53.79 2p1b s LEU 100 Cb -0.14 -2.99 0.10 0.00 0.03 0.00 0.00 46.19 43.18 2p1b s LEU 100 CO -0.08 0.19 0.86 0.00 0.23 0.00 0.00 176.35 177.54 2p1b s ARG 101 N -1.71 0.86 -0.46 1.70 1.70 0.85 -1.91 118.95 119.98 2p1b s ARG 101 Ca 0.32 -0.29 -0.24 0.00 -0.47 0.00 0.00 55.73 55.06 2p1b s ARG 101 Cb -0.15 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.65 2p1b s ARG 101 CO 0.18 -0.37 0.86 -0.51 -1.08 0.00 0.00 175.30 174.37 2p1b s LEU 102 N -2.42 4.13 0.30 -1.89 1.02 -1.26 0.76 118.68 119.33 2p1b s LEU 102 Ca 0.04 -0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.19 2p1b s LEU 102 Cb -0.01 -3.07 0.49 0.00 0.02 0.00 0.00 46.19 43.62 2p1b s LEU 102 CO -0.09 -0.99 1.81 0.50 0.02 0.00 0.00 176.35 177.60 2p1b h LYS 103 N 9.04 0.60 -3.18 1.70 3.64 -1.08 -3.46 116.57 123.82 2p1b h LYS 103 Ca -0.24 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2p1b h LYS 103 Cb 1.08 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.71 2p1b h LYS 103 CO 1.00 0.65 0.09 0.00 -2.27 0.00 0.00 179.45 178.92 2p1b n GLY 105 N -0.33 0.31 0.19 0.00 0.00 -1.23 -2.80 105.19 101.32 2p1b n GLY 105 Ca -0.14 -1.45 0.14 0.00 0.00 0.00 0.00 46.02 44.57 2p1b n GLY 105 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2p1b n SER 106 N -0.38 0.69 0.00 1.61 3.41 -1.26 -4.33 113.62 113.36 2p1b n SER 106 Ca 0.00 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 2p1b n SER 106 Cb 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2p1b n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2p1b n GLY 107 N 1.25 -0.80 3.85 5.00 0.00 -1.26 -3.59 105.19 109.64 2p1b n GLY 107 Ca 0.16 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 2p1b n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2p1b s PRO 108 N 0.00 4.01 -0.11 1.61 0.04 -1.26 -4.23 135.00 135.06 2p1b s PRO 108 Ca 0.00 0.80 0.03 0.00 0.04 0.00 0.00 61.00 61.87 2p1b s PRO 108 Cb 0.00 -2.30 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 2p1b s PRO 108 CO 0.00 -0.01 -0.21 0.08 0.04 0.00 0.00 177.00 176.90 2p1b s VAL 109 N -2.23 2.31 -0.04 -0.36 1.01 0.09 -0.32 120.40 120.86 2p1b s VAL 109 Ca 0.57 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 2p1b s VAL 109 Cb -0.10 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2p1b s VAL 109 CO 0.21 0.55 0.24 -1.00 0.00 0.00 0.00 175.10 175.10 2p1b s HIS 110 N 0.35 3.60 -0.02 5.22 3.76 0.22 -0.88 115.29 127.55 2p1b s HIS 110 Ca -0.17 0.60 0.07 0.00 -0.15 0.00 0.00 55.06 55.41 2p1b s HIS 110 Cb -0.17 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 2p1b s HIS 110 CO 0.08 0.66 -0.23 0.42 -0.85 0.00 0.00 174.74 174.83 2p1b s ILE 111 N -1.18 1.79 0.09 0.60 1.01 -1.23 -0.33 121.20 121.94 2p1b s ILE 111 Ca 0.23 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.94 2p1b s ILE 111 Cb -0.13 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2p1b s ILE 111 CO 0.12 0.50 -0.08 -0.94 0.00 0.00 0.00 174.94 174.54 2p1b s SER 112 N -0.48 1.21 0.00 3.58 1.04 -0.03 -2.12 113.70 116.90 2p1b s SER 112 Ca 0.07 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2p1b s SER 112 Cb -0.09 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2p1b s SER 112 CO -0.00 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2p1b n GLY 113 N 0.55 -0.66 3.23 7.32 0.00 -0.24 -0.38 105.19 115.00 2p1b n GLY 113 Ca -0.16 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 2p1b n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2p1b s GLN 114 N -1.04 0.96 -0.48 1.61 -0.21 0.77 -2.28 119.66 118.98 2p1b s GLN 114 Ca 0.00 -1.07 0.01 0.00 0.02 0.00 0.00 55.36 54.32 2p1b s GLN 114 Cb 0.00 -1.06 0.13 0.00 1.00 0.00 0.00 33.01 33.07 2p1b s GLN 114 CO 0.00 0.24 0.25 -1.58 -2.12 0.00 0.00 175.29 172.07 2p1b s HIS 115 N -1.32 3.46 0.36 0.91 5.65 0.19 -0.95 115.29 123.58 2p1b s HIS 115 Ca 0.03 -2.87 -0.18 0.00 0.25 0.00 0.00 55.06 52.28 2p1b s HIS 115 Cb -0.09 -3.02 -0.10 0.00 -1.18 0.00 0.00 32.58 28.18 2p1b s HIS 115 CO 0.03 -0.86 0.83 -0.51 -0.65 0.00 0.00 174.74 173.58 2p1b s LEU 116 N 0.33 4.05 -0.00 8.88 1.43 -0.13 -1.41 118.68 131.82 2p1b s LEU 116 Ca 0.14 1.47 -0.03 0.00 -1.03 0.00 0.00 54.13 54.68 2p1b s LEU 116 Cb -0.22 -4.22 -0.00 0.00 0.03 0.00 0.00 46.19 41.78 2p1b s LEU 116 CO -0.04 -0.24 0.06 -0.69 0.23 0.00 0.00 176.35 175.67 2p1b s VAL 117 N -2.01 0.06 0.00 -1.59 1.01 0.54 -1.74 120.40 116.67 2p1b s VAL 117 Ca 0.56 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2p1b s VAL 117 Cb -0.11 -0.25 0.00 0.00 0.00 0.00 0.00 36.38 36.03 2p1b s VAL 117 CO 0.16 -0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.00