#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z9n s LYS 24 N 0.00 0.88 -0.18 5.31 -2.85 -1.26 -4.56 119.74 117.08 1z9n s LYS 24 Ca 0.00 -1.01 -0.03 0.00 -1.00 0.00 0.00 55.97 53.93 1z9n s LYS 24 Cb 0.00 0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 36.10 1z9n s LYS 24 CO 0.00 -0.28 -0.07 0.42 0.10 0.00 0.00 175.35 175.52 1z9n s ILE 25 N -3.88 3.38 -0.40 3.79 1.01 -0.41 -4.96 121.20 119.74 1z9n s ILE 25 Ca 0.07 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.04 1z9n s ILE 25 Cb 0.05 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 40.03 1z9n s ILE 25 CO -0.09 0.46 0.40 -0.69 0.00 0.00 0.00 174.94 175.03 1z9n s VAL 26 N 0.95 5.12 -0.35 2.92 1.01 -1.26 -0.49 120.40 128.30 1z9n s VAL 26 Ca -0.01 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 1z9n s VAL 26 Cb -0.15 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1z9n s VAL 26 CO 0.00 -0.32 0.53 -0.69 0.00 0.00 0.00 175.10 174.63 1z9n s VAL 27 N 2.06 4.99 0.16 2.92 1.01 0.17 -4.91 120.40 126.81 1z9n s VAL 27 Ca 0.11 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1z9n s VAL 27 Cb -0.17 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 1z9n s VAL 27 CO 0.13 -0.23 1.10 -2.16 0.00 0.00 0.00 175.10 173.94 1z9n s PRO 28 N 2.44 4.58 -0.04 2.72 0.04 -1.26 -1.37 135.00 142.12 1z9n s PRO 28 Ca 0.20 1.71 0.06 0.00 0.04 0.00 0.00 61.00 63.00 1z9n s PRO 28 Cb -0.15 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1z9n s PRO 28 CO 0.14 0.05 -0.21 0.08 0.04 0.00 0.00 177.00 177.10 1z9n s VAL 29 N -0.11 1.69 0.07 -0.36 1.01 -0.44 -4.04 120.40 118.23 1z9n s VAL 29 Ca 0.50 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1z9n s VAL 29 Cb -0.29 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1z9n s VAL 29 CO 0.34 0.48 -0.25 -1.10 0.00 0.00 0.00 175.10 174.57 1z9n s GLN 30 N -0.19 1.60 0.08 2.72 -0.21 -0.05 -2.11 119.66 121.50 1z9n s GLN 30 Ca 0.00 -1.14 -0.31 0.00 0.02 0.00 0.00 55.36 53.93 1z9n s GLN 30 Cb -0.11 -1.85 -0.06 0.00 1.00 0.00 0.00 33.01 31.99 1z9n s GLN 30 CO 0.02 0.47 1.23 -1.14 -2.12 0.00 0.00 175.29 173.75 1z9n s GLN 31 N -1.46 4.42 -0.31 2.91 0.74 0.74 -1.22 119.66 125.48 1z9n s GLN 31 Ca 0.11 1.83 -0.18 0.00 0.05 0.00 0.00 55.36 57.18 1z9n s GLN 31 Cb -0.10 -3.32 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 1z9n s GLN 31 CO 0.03 -0.28 0.50 -0.51 -0.55 0.00 0.00 175.29 174.48 1z9n s LEU 32 N 0.96 4.20 -0.35 3.68 1.43 -0.31 -1.96 118.68 126.34 1z9n s LEU 32 Ca 0.59 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1z9n s LEU 32 Cb -0.31 -2.59 0.14 0.00 0.03 0.00 0.00 46.19 43.46 1z9n s LEU 32 CO 0.30 -0.38 0.22 -0.62 0.23 0.00 0.00 176.35 176.10 1z9n s ASP 33 N 1.67 2.84 0.00 2.29 -1.08 -1.26 -4.91 116.67 116.22 1z9n s ASP 33 Ca 0.19 -2.24 0.17 0.00 -0.52 0.00 0.00 52.55 50.16 1z9n s ASP 33 Cb -0.16 -0.38 0.96 0.00 -1.46 0.00 0.00 42.92 41.88 1z9n s ASP 33 CO 0.11 -0.30 1.46 -2.65 0.52 0.00 0.00 175.17 174.31 1z9n n PRO 34 N 3.97 0.42 -0.08 4.34 -0.02 -1.26 -0.51 135.00 141.85 1z9n n PRO 34 Ca 0.13 0.05 -0.13 0.00 -2.02 0.00 0.00 63.50 61.53 1z9n n PRO 34 Cb 0.38 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.29 1z9n n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1z9n n GLN 35 N -1.12 0.36 0.00 -0.52 1.13 -1.26 -4.72 117.38 111.25 1z9n n GLN 35 Ca 0.11 0.11 0.11 0.00 -1.94 0.00 0.00 57.00 55.39 1z9n n GLN 35 Cb 0.09 -1.20 -0.08 0.00 0.11 0.00 0.00 30.24 29.16 1z9n n GLN 35 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1z9n n ASN 36 N -3.26 0.67 0.00 1.08 4.13 -1.22 -5.08 115.26 111.58 1z9n n ASN 36 Ca -0.28 -0.57 0.00 0.00 1.68 0.00 0.00 54.58 55.40 1z9n n ASN 36 Cb 0.76 1.14 0.00 0.00 -1.54 0.00 0.00 39.78 40.14 1z9n n ASN 36 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1z9n n GLY 37 N 1.42 2.90 3.71 7.41 0.00 0.33 -5.08 105.19 115.88 1z9n n GLY 37 Ca 0.02 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 1z9n n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1z9n s ASN 38 N 0.00 3.92 -0.03 1.61 0.01 -1.22 -4.36 114.94 114.88 1z9n s ASN 38 Ca 0.00 2.31 0.04 0.00 -0.71 0.00 0.00 52.86 54.50 1z9n s ASN 38 Cb 0.00 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.07 1z9n s ASN 38 CO 0.00 -2.44 -0.14 -0.54 -1.51 0.00 0.00 177.10 172.47 1z9n s LYS 39 N -4.09 1.37 0.06 -0.60 1.02 -0.83 -4.96 119.74 111.71 1z9n s LYS 39 Ca 0.73 -0.50 -0.31 0.00 0.02 0.00 0.00 55.97 55.90 1z9n s LYS 39 Cb -0.28 -1.25 -0.06 0.00 -0.52 0.00 0.00 37.83 35.72 1z9n s LYS 39 CO 0.48 0.24 1.25 -0.51 -0.92 0.00 0.00 175.35 175.89 1z9n s ASP 40 N -0.06 7.02 -0.02 2.83 1.01 -1.26 -0.18 116.67 125.99 1z9n s ASP 40 Ca -0.00 2.07 0.03 0.00 0.71 0.00 0.00 52.55 55.37 1z9n s ASP 40 Cb -0.09 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.32 1z9n s ASP 40 CO 0.01 -0.52 0.89 1.33 0.21 0.00 0.00 175.17 177.09 1z9n n VAL 41 N 3.99 0.78 0.00 -1.27 0.24 -0.90 -4.88 118.33 116.29 1z9n n VAL 41 Ca 0.10 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 1z9n n VAL 41 Cb 0.45 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1z9n n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1z9n n GLY 42 N -0.48 0.25 3.13 7.63 0.00 -1.24 -0.58 105.19 113.91 1z9n n GLY 42 Ca 0.03 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 1z9n n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1z9n s THR 43 N 0.00 0.15 -0.10 2.61 -4.23 -0.70 -1.32 115.64 112.05 1z9n s THR 43 Ca 0.00 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1z9n s THR 43 Cb 0.00 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.03 1z9n s THR 43 CO 0.00 -0.68 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.49 1z9n s VAL 44 N -3.99 1.86 -0.18 2.29 1.01 -0.47 0.07 120.40 120.99 1z9n s VAL 44 Ca 0.17 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 1z9n s VAL 44 Cb 0.08 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1z9n s VAL 44 CO -0.03 0.52 0.24 -1.61 0.00 0.00 0.00 175.10 174.21 1z9n s GLU 45 N 0.47 4.22 -0.19 2.72 2.02 -0.08 -0.66 118.70 127.20 1z9n s GLU 45 Ca -0.17 -0.03 -0.06 0.00 0.02 0.00 0.00 54.97 54.74 1z9n s GLU 45 Cb -0.17 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 1z9n s GLU 45 CO 0.07 0.23 0.02 0.42 0.02 0.00 0.00 175.26 176.02 1z9n s ILE 46 N 0.51 4.28 0.21 -1.63 1.01 0.35 -0.37 121.20 125.56 1z9n s ILE 46 Ca 0.13 -0.21 0.03 0.00 0.00 0.00 0.00 60.65 60.61 1z9n s ILE 46 Cb -0.12 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 1z9n s ILE 46 CO 0.02 0.44 -0.02 0.42 0.00 0.00 0.00 174.94 175.80 1z9n s THR 47 N 0.71 1.01 -0.14 2.92 -4.23 -0.30 -1.28 115.64 114.33 1z9n s THR 47 Ca 0.01 -2.03 -0.17 0.00 -1.18 0.00 0.00 61.69 58.32 1z9n s THR 47 Cb -0.14 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.42 1z9n s THR 47 CO 0.02 -0.41 0.44 -1.61 -0.54 0.00 0.00 174.62 172.52 1z9n s GLU 48 N -3.85 4.29 0.47 3.99 2.02 -1.26 -0.45 118.70 123.91 1z9n s GLU 48 Ca 0.26 0.36 0.07 0.00 0.02 0.00 0.00 54.97 55.68 1z9n s GLU 48 Cb 0.05 -3.46 0.01 0.00 0.10 0.00 0.00 34.13 30.83 1z9n s GLU 48 CO 0.07 0.12 0.42 -1.54 0.02 0.00 0.00 175.26 174.35 1z9n s SER 49 N 0.70 4.92 0.00 -0.19 1.04 -0.34 -4.92 113.70 114.90 1z9n s SER 49 Ca 0.23 -0.91 0.13 0.00 0.48 0.00 0.00 55.95 55.89 1z9n s SER 49 Cb -0.15 -0.21 0.61 0.00 0.10 0.00 0.00 66.02 66.37 1z9n s SER 49 CO 0.09 -0.84 1.36 0.00 0.98 0.00 0.00 173.24 174.83 1z9n n ALA 50 N -1.67 1.69 -0.08 5.32 0.00 -1.26 -3.01 120.51 121.49 1z9n n ALA 50 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1z9n n ALA 50 Cb 0.63 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1z9n n ALA 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1z9n n TYR 51 N -1.37 0.00 0.00 0.00 4.02 -1.26 -5.12 117.16 113.43 1z9n n TYR 51 Ca 0.05 -0.26 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 1z9n n TYR 51 Cb 0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 1z9n n TYR 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1z9n n GLY 52 N -0.26 0.88 3.74 2.72 0.00 -1.16 -4.31 105.19 106.80 1z9n n GLY 52 Ca 0.00 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1z9n n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1z9n s LEU 53 N 0.00 4.54 -0.15 0.99 1.43 -0.23 -1.20 118.68 124.06 1z9n s LEU 53 Ca 0.00 1.98 -0.04 0.00 -1.03 0.00 0.00 54.13 55.04 1z9n s LEU 53 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.58 1z9n s LEU 53 CO 0.00 -0.07 0.00 -0.69 0.23 0.00 0.00 176.35 175.82 1z9n s VAL 54 N -0.49 4.25 -0.33 -1.59 1.01 0.41 -0.59 120.40 123.07 1z9n s VAL 54 Ca 0.46 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 1z9n s VAL 54 Cb -0.27 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.29 1z9n s VAL 54 CO 0.33 0.51 0.11 -0.36 0.00 0.00 0.00 175.10 175.69 1z9n s PHE 55 N 0.05 3.24 -0.40 5.22 0.40 0.09 -1.15 117.98 125.42 1z9n s PHE 55 Ca 0.02 -1.33 -0.06 0.00 -0.60 0.00 0.00 56.93 54.96 1z9n s PHE 55 Cb -0.13 -2.28 0.09 0.00 0.51 0.00 0.00 43.02 41.21 1z9n s PHE 55 CO 0.02 -0.70 0.21 0.99 0.70 0.00 0.00 175.22 176.44 1z9n s THR 56 N 1.43 3.75 0.48 0.64 2.01 0.50 -1.66 115.64 122.79 1z9n s THR 56 Ca -0.01 -1.63 -0.21 0.00 0.31 0.00 0.00 61.69 60.15 1z9n s THR 56 Cb -0.19 -3.37 -0.08 0.00 0.01 0.00 0.00 72.50 68.87 1z9n s THR 56 CO 0.03 -0.53 1.08 -2.84 -0.69 0.00 0.00 174.62 171.67 1z9n s PRO 57 N 1.31 3.77 -0.40 4.92 0.02 -1.26 -0.91 135.00 142.44 1z9n s PRO 57 Ca 0.04 1.50 0.09 0.00 0.02 0.00 0.00 61.00 62.64 1z9n s PRO 57 Cb -0.23 -2.20 0.29 0.00 0.02 0.00 0.00 34.50 32.38 1z9n s PRO 57 CO -0.01 -0.48 0.62 1.63 -0.33 0.00 0.00 177.00 178.43 1z9n n LYS 58 N -0.81 1.00 -4.27 5.54 5.02 0.11 -4.09 118.16 120.66 1z9n n LYS 58 Ca 0.09 -3.42 -0.26 0.00 -2.02 0.00 0.00 58.31 52.70 1z9n n LYS 58 Cb 0.51 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 1z9n n LYS 58 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1z9n s LEU 59 N -1.77 3.11 0.06 -0.35 1.43 -0.58 -1.73 118.68 118.85 1z9n s LEU 59 Ca 0.38 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1z9n s LEU 59 Cb 0.23 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 1z9n s LEU 59 CO -0.09 0.08 0.08 -1.38 0.23 0.00 0.00 176.35 175.27 1z9n s HIS 60 N -1.83 0.28 -1.41 0.29 -3.43 0.25 -1.56 115.29 107.89 1z9n s HIS 60 Ca 0.27 -0.70 -0.10 0.00 -0.80 0.00 0.00 55.06 53.73 1z9n s HIS 60 Cb -0.08 -0.19 0.04 0.00 -1.43 0.00 0.00 32.58 30.91 1z9n s HIS 60 CO 0.17 -0.42 1.11 -0.25 -2.00 0.00 0.00 174.74 173.35 1z9n n ASP 61 N 0.34 -5.69 -4.81 7.38 8.00 -0.85 -4.66 116.55 116.27 1z9n n ASP 61 Ca -0.16 -0.63 -0.22 0.00 0.71 0.00 0.00 54.79 54.49 1z9n n ASP 61 Cb 0.60 -4.64 -0.05 0.00 -0.02 0.00 0.00 41.12 37.01 1z9n n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1z9n s LEU 62 N -7.27 3.45 0.03 0.64 1.43 -0.73 -5.04 118.68 111.18 1z9n s LEU 62 Ca 0.59 -0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1z9n s LEU 62 Cb -0.27 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1z9n s LEU 62 CO 0.76 -0.35 1.52 0.00 0.23 0.00 0.00 176.35 178.52 1z9n s ALA 63 N -2.36 3.63 0.27 4.21 0.00 -1.26 -4.27 121.76 121.97 1z9n s ALA 63 Ca 0.40 1.03 -0.31 0.00 0.00 0.00 0.00 51.96 53.08 1z9n s ALA 63 Cb -0.04 -3.64 -0.12 0.00 0.00 0.00 0.00 23.12 19.32 1z9n s ALA 63 CO 0.25 -1.01 1.65 1.58 0.00 0.00 0.00 175.76 178.23 1z9n n HIS 64 N 5.53 2.86 0.00 0.00 -0.00 -1.26 -4.72 115.22 117.63 1z9n n HIS 64 Ca 0.14 0.17 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1z9n n HIS 64 Cb 0.42 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.66 1z9n n HIS 64 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1z9n n GLY 65 N 2.80 0.25 3.58 1.57 0.00 -0.63 -4.97 105.19 107.79 1z9n n GLY 65 Ca 0.11 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 1z9n n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1z9n s LEU 66 N 0.00 3.98 -0.00 0.99 2.96 -1.26 -0.87 118.68 124.47 1z9n s LEU 66 Ca 0.00 -0.02 0.06 0.00 -0.22 0.00 0.00 54.13 53.95 1z9n s LEU 66 Cb 0.00 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1z9n s LEU 66 CO 0.00 -0.04 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.80 1z9n s HIS 67 N 1.70 2.53 0.31 5.38 3.76 0.56 -3.88 115.29 125.66 1z9n s HIS 67 Ca 0.07 -0.28 -0.29 0.00 -0.15 0.00 0.00 55.06 54.41 1z9n s HIS 67 Cb -0.16 -1.52 -0.11 0.00 1.11 0.00 0.00 32.58 31.90 1z9n s HIS 67 CO 0.10 0.15 1.55 0.20 -0.85 0.00 0.00 174.74 175.89 1z9n s GLY 68 N -1.01 2.37 -0.21 -2.22 0.00 -0.13 -0.71 107.32 105.41 1z9n s GLY 68 Ca 0.12 1.55 -0.04 0.00 0.00 0.00 0.00 44.72 46.35 1z9n s GLY 68 CO 0.02 2.44 0.12 -0.12 0.00 0.00 0.00 173.10 175.56 1z9n s PHE 69 N -0.33 0.17 0.05 1.90 5.36 -1.26 -0.32 117.98 123.56 1z9n s PHE 69 Ca 0.60 -0.43 -0.00 0.00 -0.96 0.00 0.00 56.93 56.13 1z9n s PHE 69 Cb -0.47 -0.72 -0.04 0.00 -0.34 0.00 0.00 43.02 41.46 1z9n s PHE 69 CO 0.52 -0.63 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.60 1z9n s HIS 70 N 2.15 0.57 -0.16 10.12 3.76 -0.69 -2.78 115.29 128.26 1z9n s HIS 70 Ca 0.05 -0.90 -0.22 0.00 -0.15 0.00 0.00 55.06 53.83 1z9n s HIS 70 Cb -0.16 -0.38 -0.03 0.00 1.11 0.00 0.00 32.58 33.12 1z9n s HIS 70 CO -0.18 -0.28 0.68 0.42 -0.85 0.00 0.00 174.74 174.52 1z9n s ILE 71 N -3.26 5.01 0.31 0.60 1.01 0.05 -0.41 121.20 124.51 1z9n s ILE 71 Ca 0.03 1.32 0.07 0.00 0.00 0.00 0.00 60.65 62.06 1z9n s ILE 71 Cb 0.03 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1z9n s ILE 71 CO -0.07 0.14 0.35 -1.00 0.00 0.00 0.00 174.94 174.36 1z9n s HIS 72 N 1.61 3.09 0.10 3.97 3.76 0.46 -0.57 115.29 127.72 1z9n s HIS 72 Ca 0.32 -0.20 -0.17 0.00 -0.15 0.00 0.00 55.06 54.87 1z9n s HIS 72 Cb -0.16 -1.76 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 1z9n s HIS 72 CO 0.12 0.21 1.56 1.49 -0.85 0.00 0.00 174.74 177.28 1z9n h GLU 73 N 1.16 0.54 -5.72 1.40 4.57 -0.80 -2.35 114.58 113.38 1z9n h GLU 73 Ca -0.47 -0.16 -0.66 0.00 -1.18 0.00 0.00 59.36 56.90 1z9n h GLU 73 Cb 1.25 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.72 1z9n h GLU 73 CO 0.57 0.65 -0.42 0.15 -1.18 0.00 0.00 179.01 178.78 1z9n s LYS 74 N -5.10 3.54 -1.46 1.92 1.02 0.22 -4.60 119.74 115.28 1z9n s LYS 74 Ca -0.13 -0.02 -0.10 0.00 0.02 0.00 0.00 55.97 55.74 1z9n s LYS 74 Cb 0.09 -3.20 -0.07 0.00 -0.52 0.00 0.00 37.83 34.13 1z9n s LYS 74 CO 0.76 0.76 2.71 -0.35 -0.92 0.00 0.00 175.35 178.31 1z9n n PRO 75 N 1.95 3.27 -3.72 -1.68 -0.04 -1.25 -3.52 135.00 130.00 1z9n n PRO 75 Ca -0.19 -2.10 -0.14 0.00 -0.04 0.00 0.00 63.50 61.04 1z9n n PRO 75 Cb 0.54 -2.79 -0.09 0.00 -0.04 0.00 0.00 33.50 31.13 1z9n n PRO 75 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1z9n s SER 76 N 2.57 -0.30 -0.06 3.54 0.15 -1.26 -4.94 113.70 113.40 1z9n s SER 76 Ca 0.62 0.33 0.09 0.00 0.70 0.00 0.00 55.95 57.69 1z9n s SER 76 Cb 0.16 0.45 0.21 0.00 -1.71 0.00 0.00 66.02 65.13 1z9n s SER 76 CO -0.05 -0.40 1.14 0.00 1.20 0.00 0.00 173.24 175.12 1z9n s GLU 78 N -1.78 3.77 0.86 0.00 0.41 -1.26 -3.96 118.70 116.75 1z9n s GLU 78 Ca 0.19 1.08 -0.12 0.00 -0.41 0.00 0.00 54.97 55.71 1z9n s GLU 78 Cb 0.15 -2.11 0.11 0.00 -1.78 0.00 0.00 34.13 30.50 1z9n s GLU 78 CO 0.05 -0.42 1.10 -1.25 -0.49 0.00 0.00 175.26 174.24 1z9n s PRO 79 N -3.91 1.57 -0.02 0.39 0.04 -1.26 -1.15 135.00 130.65 1z9n s PRO 79 Ca 0.61 0.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.24 1z9n s PRO 79 Cb -0.12 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1z9n s PRO 79 CO 0.30 -1.98 0.15 0.21 0.04 0.00 0.00 177.00 175.72 1z9n s LYS 80 N -5.08 0.36 -0.01 4.56 2.20 -0.95 -4.48 119.74 116.34 1z9n s LYS 80 Ca 0.62 -0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 1z9n s LYS 80 Cb -0.16 0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.28 1z9n s LYS 80 CO 0.55 -0.07 1.08 -2.00 -0.36 0.00 0.00 175.35 174.55 1z9n s GLU 81 N -0.76 4.47 -0.03 4.03 2.12 -1.25 -0.26 118.70 127.02 1z9n s GLU 81 Ca -0.08 1.55 0.01 0.00 0.36 0.00 0.00 54.97 56.81 1z9n s GLU 81 Cb -0.05 -3.46 0.02 0.00 0.26 0.00 0.00 34.13 30.90 1z9n s GLU 81 CO 0.01 -0.21 -0.04 0.21 -0.54 0.00 0.00 175.26 174.68 1z9n s LYS 82 N 1.37 0.72 -1.38 4.30 2.20 0.58 -4.85 119.74 122.68 1z9n s LYS 82 Ca 0.54 -0.11 -0.17 0.00 -0.36 0.00 0.00 55.97 55.87 1z9n s LYS 82 Cb -0.23 -0.73 0.02 0.00 -1.51 0.00 0.00 37.83 35.37 1z9n s LYS 82 CO 0.26 -0.04 0.35 -0.25 -0.36 0.00 0.00 175.35 175.30 1z9n n ASP 83 N 3.83 -1.55 -2.21 1.43 8.00 -1.26 -0.08 116.55 124.71 1z9n n ASP 83 Ca -0.24 -1.28 -0.18 0.00 0.71 0.00 0.00 54.79 53.80 1z9n n ASP 83 Cb 0.52 -1.68 0.00 0.00 -0.02 0.00 0.00 41.12 39.94 1z9n n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1z9n n GLY 84 N -2.33 -0.37 3.00 0.44 0.00 -1.26 -5.01 105.19 99.66 1z9n n GLY 84 Ca -0.22 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.59 1z9n n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z9n s LYS 85 N -5.07 0.21 -0.40 1.61 1.02 0.89 -5.13 119.74 112.86 1z9n s LYS 85 Ca 0.07 -0.06 -0.20 0.00 0.02 0.00 0.00 55.97 55.80 1z9n s LYS 85 Cb -0.03 0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.38 1z9n s LYS 85 CO 0.09 -0.04 0.60 -1.17 -0.92 0.00 0.00 175.35 173.91 1z9n s LEU 86 N -0.41 4.44 -0.18 3.17 2.96 -1.26 0.22 118.68 127.62 1z9n s LEU 86 Ca -0.05 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1z9n s LEU 86 Cb -0.03 -2.69 0.01 0.00 0.50 0.00 0.00 46.19 43.98 1z9n s LEU 86 CO 0.00 -0.67 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.50 1z9n s VAL 87 N 2.67 2.33 0.04 1.68 1.01 0.64 -4.88 120.40 123.89 1z9n s VAL 87 Ca 0.22 -0.86 -0.38 0.00 0.00 0.00 0.00 61.98 60.96 1z9n s VAL 87 Cb -0.15 -1.99 -0.17 0.00 0.00 0.00 0.00 36.38 34.07 1z9n s VAL 87 CO 0.17 0.52 1.30 0.00 0.00 0.00 0.00 175.10 177.09 1z9n n ALA 88 N 4.49 -1.57 -0.88 5.51 0.00 -1.26 -2.23 120.51 124.56 1z9n n ALA 88 Ca -0.20 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1z9n n ALA 88 Cb 0.51 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1z9n n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1z9n n GLY 89 N 2.39 0.65 0.28 0.00 0.00 -1.24 -4.44 105.19 102.82 1z9n n GLY 89 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.37 1z9n n GLY 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1z9n h LEU 90 N 0.00 0.00 -2.47 0.99 5.85 -1.48 -1.70 115.31 116.50 1z9n h LEU 90 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1z9n h LEU 90 Cb 0.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1z9n h LEU 90 CO 0.00 0.07 0.15 1.23 -0.34 0.00 0.00 178.44 179.55 1z9n h GLY 91 N 1.01 0.00 2.00 3.75 0.00 -1.36 -1.92 103.07 106.55 1z9n h GLY 91 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1z9n h GLY 91 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1z9n h ALA 92 N 1.75 1.00 -0.45 3.60 0.00 -1.18 -3.42 119.26 120.56 1z9n h ALA 92 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1z9n h ALA 92 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1z9n h ALA 92 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1z9n n GLY 93 N 0.27 -0.35 0.00 0.00 0.00 -0.72 -0.61 105.19 103.77 1z9n n GLY 93 Ca 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1z9n n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9n n GLY 94 N 0.00 -0.07 3.77 -0.02 0.00 -1.26 -4.68 105.19 102.92 1z9n n GLY 94 Ca 0.00 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 1z9n n GLY 94 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1z9n s HIS 95 N -0.08 3.27 -0.12 1.61 3.76 -1.26 -0.75 115.29 121.72 1z9n s HIS 95 Ca 0.00 1.58 -0.29 0.00 -0.15 0.00 0.00 55.06 56.20 1z9n s HIS 95 Cb 0.00 -3.41 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 1z9n s HIS 95 CO 0.00 -1.12 1.73 -0.46 -0.85 0.00 0.00 174.74 174.04 1z9n s TRP 96 N -1.26 1.87 -0.39 1.40 -0.00 0.26 -4.50 118.94 116.32 1z9n s TRP 96 Ca 0.50 0.27 0.09 0.00 -0.00 0.00 0.00 56.10 56.97 1z9n s TRP 96 Cb -0.33 -3.98 0.29 0.00 -0.00 0.00 0.00 33.47 29.45 1z9n s TRP 96 CO 0.43 -3.74 0.66 -3.47 -0.00 0.00 0.00 176.95 170.83 1z9n n ASP 97 N 8.06 0.02 0.20 5.86 2.03 -1.26 -1.46 116.55 130.01 1z9n n ASP 97 Ca 0.19 -2.92 0.05 0.00 0.52 0.00 0.00 54.79 52.64 1z9n n ASP 97 Cb 0.44 -0.28 0.44 0.00 -0.72 0.00 0.00 41.12 41.00 1z9n n ASP 97 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1z9n h PRO 98 N 3.57 0.00 -0.11 -0.67 0.13 -1.98 -1.77 132.00 131.17 1z9n h PRO 98 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1z9n h PRO 98 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1z9n h PRO 98 CO 0.44 0.31 0.00 1.63 -0.23 0.00 0.00 178.00 180.15 1z9n n LYS 99 N -3.92 1.52 -3.81 0.86 4.76 -1.26 -4.96 118.16 111.36 1z9n n LYS 99 Ca -0.02 -0.78 -0.27 0.00 -2.87 0.00 0.00 58.31 54.38 1z9n n LYS 99 Cb 0.38 -1.38 0.01 0.00 -1.84 0.00 0.00 35.03 32.21 1z9n n LYS 99 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1z9n n GLN 100 N -0.01 -2.73 0.14 1.97 1.13 -0.67 -4.87 117.38 112.34 1z9n n GLN 100 Ca 0.16 0.46 0.01 0.00 -1.94 0.00 0.00 57.00 55.68 1z9n n GLN 100 Cb 0.26 -4.46 0.10 0.00 0.11 0.00 0.00 30.24 26.25 1z9n n GLN 100 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 1z9n h THR 101 N -1.87 1.14 -4.32 5.09 1.35 -1.89 -3.47 112.91 108.94 1z9n h THR 101 Ca -0.64 -2.28 -0.37 0.00 -0.55 0.00 0.00 66.41 62.57 1z9n h THR 101 Cb 1.37 2.35 -0.00 0.00 -1.73 0.00 0.00 68.15 70.13 1z9n h THR 101 CO 0.56 0.58 -0.52 0.00 -0.25 0.00 0.00 175.52 175.89 1z9n n GLN 102 N -3.41 -3.41 -3.72 4.72 6.02 -1.26 -4.96 117.38 111.35 1z9n n GLN 102 Ca 0.01 0.76 -0.13 0.00 -0.01 0.00 0.00 57.00 57.62 1z9n n GLN 102 Cb 0.70 -5.50 -0.13 0.00 1.02 0.00 0.00 30.24 26.33 1z9n n GLN 102 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1z9n s LYS 103 N -5.52 0.17 0.14 -1.09 1.02 -1.26 -5.09 119.74 108.11 1z9n s LYS 103 Ca 0.21 0.51 -0.27 0.00 0.02 0.00 0.00 55.97 56.45 1z9n s LYS 103 Cb -0.10 -0.13 -0.07 0.00 -0.52 0.00 0.00 37.83 37.00 1z9n s LYS 103 CO 0.26 -0.18 0.82 -1.58 -0.92 0.00 0.00 175.35 173.75 1z9n s HIS 104 N 1.37 3.87 0.00 3.18 5.65 -1.26 -2.01 115.29 126.09 1z9n s HIS 104 Ca -0.08 1.66 0.00 0.00 0.25 0.00 0.00 55.06 56.89 1z9n s HIS 104 Cb -0.11 -2.85 0.00 0.00 -1.18 0.00 0.00 32.58 28.45 1z9n s HIS 104 CO -0.08 0.42 0.00 0.41 -0.65 0.00 0.00 174.74 174.84 1z9n n GLY 105 N 1.83 3.09 3.83 1.59 0.00 -1.25 -4.07 105.19 110.21 1z9n n GLY 105 Ca -0.03 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1z9n n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1z9n s TYR 106 N -3.95 3.40 0.20 1.61 1.51 -1.25 -4.71 117.35 114.16 1z9n s TYR 106 Ca 0.00 1.52 0.35 0.00 -1.01 0.00 0.00 57.07 57.93 1z9n s TYR 106 Cb 0.00 -2.81 1.68 0.00 -0.11 0.00 0.00 41.96 40.72 1z9n s TYR 106 CO 0.00 -0.26 2.06 -1.35 -1.11 0.00 0.00 175.55 174.89 1z9n h PRO 107 N 1.31 0.00 -0.70 -1.71 0.11 -1.88 -1.54 132.00 127.59 1z9n h PRO 107 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1z9n h PRO 107 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1z9n h PRO 107 CO 0.61 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.73 1z9n n TRP 108 N -2.90 0.99 -3.93 0.65 2.14 -1.26 -4.34 117.44 108.79 1z9n n TRP 108 Ca -0.01 -0.51 -0.35 0.00 2.07 0.00 0.00 57.50 58.70 1z9n n TRP 108 Cb 0.19 -0.03 -0.09 0.00 -0.81 0.00 0.00 31.31 30.57 1z9n n TRP 108 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1z9n s SER 109 N -1.00 5.83 0.00 -0.67 0.15 -0.58 -4.98 113.70 112.45 1z9n s SER 109 Ca 0.47 0.14 0.20 0.00 0.70 0.00 0.00 55.95 57.47 1z9n s SER 109 Cb 0.25 -2.00 1.04 0.00 -1.71 0.00 0.00 66.02 63.61 1z9n s SER 109 CO 0.31 0.19 1.64 0.47 1.20 0.00 0.00 173.24 177.05 1z9n n ASP 110 N 3.43 0.00 -1.23 5.45 8.00 -1.26 -2.43 116.55 128.50 1z9n n ASP 110 Ca -0.17 -0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.40 1z9n n ASP 110 Cb 0.52 -0.26 0.26 0.00 -0.02 0.00 0.00 41.12 41.62 1z9n n ASP 110 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1z9n n ASP 111 N -1.26 3.64 -4.93 -2.24 8.00 -1.26 -4.94 116.55 113.55 1z9n n ASP 111 Ca 0.10 -1.99 -0.26 0.00 0.71 0.00 0.00 54.79 53.34 1z9n n ASP 111 Cb 0.16 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 1z9n n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1z9n s ALA 112 N -1.31 3.78 0.21 2.24 0.00 -1.02 -4.51 121.76 121.15 1z9n s ALA 112 Ca 0.43 -0.83 -0.31 0.00 0.00 0.00 0.00 51.96 51.25 1z9n s ALA 112 Cb 0.24 -2.05 -0.15 0.00 0.00 0.00 0.00 23.12 21.16 1z9n s ALA 112 CO 0.32 0.29 1.10 0.72 0.00 0.00 0.00 175.76 178.19 1z9n n HIS 113 N -1.00 1.25 0.22 0.00 8.25 -0.85 -4.85 115.22 118.24 1z9n n HIS 113 Ca -0.05 0.69 0.16 0.00 -0.26 0.00 0.00 57.72 58.27 1z9n n HIS 113 Cb 0.55 -2.26 0.83 0.00 1.12 0.00 0.00 29.99 30.22 1z9n n HIS 113 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1z9n h MET 114 N 2.86 0.00 -0.01 -0.41 4.05 -1.86 -1.85 114.93 117.71 1z9n h MET 114 Ca -0.41 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1z9n h MET 114 Cb 1.34 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.14 1z9n h MET 114 CO 0.67 0.00 0.00 0.41 0.23 0.00 0.00 176.91 178.22 1z9n n GLY 115 N -1.40 -0.90 3.61 1.39 0.00 -0.53 -4.83 105.19 102.52 1z9n n GLY 115 Ca 0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1z9n n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1z9n s ASP 116 N -1.86 6.70 0.32 1.61 1.01 -0.70 -0.77 116.67 122.98 1z9n s ASP 116 Ca 0.41 0.59 0.08 0.00 0.71 0.00 0.00 52.55 54.34 1z9n s ASP 116 Cb 0.19 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1z9n s ASP 116 CO 0.32 -1.06 0.18 -0.76 0.21 0.00 0.00 175.17 174.07 1z9n s LEU 117 N 3.97 3.45 0.70 1.23 1.43 -1.12 -4.14 118.68 124.21 1z9n s LEU 117 Ca 0.44 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.79 1z9n s LEU 117 Cb -0.10 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.16 1z9n s LEU 117 CO 0.24 -0.24 1.25 -2.84 0.23 0.00 0.00 176.35 174.98 1z9n s PRO 118 N -3.88 2.25 0.68 1.29 0.02 -1.26 -4.68 135.00 129.43 1z9n s PRO 118 Ca 0.37 1.90 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 1z9n s PRO 118 Cb -0.05 -1.83 0.01 0.00 0.02 0.00 0.00 34.50 32.65 1z9n s PRO 118 CO 0.24 -1.78 1.20 0.00 -0.33 0.00 0.00 177.00 176.33 1z9n s ALA 119 N -1.74 2.29 -0.21 -1.55 0.00 -1.26 -4.58 121.76 114.71 1z9n s ALA 119 Ca 0.78 0.89 -0.07 0.00 0.00 0.00 0.00 51.96 53.55 1z9n s ALA 119 Cb -0.33 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 1z9n s ALA 119 CO 0.43 -1.60 0.07 -1.17 0.00 0.00 0.00 175.76 173.49 1z9n s LEU 120 N -4.80 3.67 -0.24 0.00 0.20 0.11 -4.85 118.68 112.79 1z9n s LEU 120 Ca 0.75 -0.03 -0.12 0.00 0.69 0.00 0.00 54.13 55.41 1z9n s LEU 120 Cb -0.29 -1.95 -0.05 0.00 -0.43 0.00 0.00 46.19 43.47 1z9n s LEU 120 CO 0.41 0.09 0.22 0.12 -0.29 0.00 0.00 176.35 176.90 1z9n s PHE 121 N 0.89 3.31 -0.25 5.38 5.36 -1.26 -0.32 117.98 131.09 1z9n s PHE 121 Ca 0.04 0.30 -0.08 0.00 -0.96 0.00 0.00 56.93 56.23 1z9n s PHE 121 Cb -0.14 -2.35 -0.03 0.00 -0.34 0.00 0.00 43.02 40.16 1z9n s PHE 121 CO 0.03 0.01 0.09 0.08 -1.46 0.00 0.00 175.22 173.97 1z9n s VAL 122 N 1.25 4.59 1.07 3.12 1.01 -0.05 -4.40 120.40 126.98 1z9n s VAL 122 Ca 0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.86 1z9n s VAL 122 Cb -0.14 -3.14 0.23 0.00 0.00 0.00 0.00 36.38 33.32 1z9n s VAL 122 CO 0.06 0.34 1.09 -0.04 0.00 0.00 0.00 175.10 176.55 1z9n s MET 123 N 1.47 -0.16 0.60 2.72 1.00 0.51 -1.60 119.30 123.84 1z9n s MET 123 Ca 0.06 0.36 0.38 0.00 0.00 0.00 0.00 55.69 56.49 1z9n s MET 123 Cb -0.15 -1.68 1.90 0.00 0.00 0.00 0.00 34.83 34.90 1z9n s MET 123 CO 0.05 -3.10 2.19 1.12 0.00 0.00 0.00 175.02 175.28 1z9n h HIS 124 N -2.15 0.00 -0.10 -0.03 2.07 -1.97 -0.08 115.15 112.89 1z9n h HIS 124 Ca -0.53 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.99 1z9n h HIS 124 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 1z9n h HIS 124 CO -0.33 0.02 0.00 -0.40 -3.07 0.00 0.00 177.93 174.14 1z9n n ASP 125 N -3.17 1.14 0.00 3.10 5.75 -1.26 -4.86 116.55 117.25 1z9n n ASP 125 Ca -0.01 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1z9n n ASP 125 Cb 0.18 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1z9n n ASP 125 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1z9n n GLY 126 N 1.04 0.76 3.88 6.12 0.00 -0.04 -4.65 105.19 112.31 1z9n n GLY 126 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1z9n n GLY 126 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1z9n s SER 127 N -2.87 6.57 -0.12 1.61 1.04 -1.26 -1.77 113.70 116.90 1z9n s SER 127 Ca 0.00 0.86 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1z9n s SER 127 Cb 0.00 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.94 1z9n s SER 127 CO 0.00 -0.10 -0.12 0.00 0.98 0.00 0.00 173.24 174.00 1z9n s ALA 128 N -1.88 1.58 0.00 5.32 0.00 -0.60 -0.37 121.76 125.82 1z9n s ALA 128 Ca 0.46 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1z9n s ALA 128 Cb -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1z9n s ALA 128 CO 0.24 -0.29 0.68 0.25 0.00 0.00 0.00 175.76 176.63 1z9n n THR 129 N 4.65 0.00 -3.42 0.00 -2.24 -1.26 -1.53 114.28 110.48 1z9n n THR 129 Ca -0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 1z9n n THR 129 Cb 0.50 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 1z9n n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1z9n s THR 130 N 0.00 5.19 0.57 4.28 2.01 -1.26 -4.69 115.64 121.74 1z9n s THR 130 Ca 0.00 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 1z9n s THR 130 Cb 0.00 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1z9n s THR 130 CO 0.00 -0.20 1.06 -2.16 -0.69 0.00 0.00 174.62 172.63 1z9n s PRO 131 N 1.92 3.40 0.06 4.92 0.04 -1.26 -4.52 135.00 139.56 1z9n s PRO 131 Ca 0.09 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.40 1z9n s PRO 131 Cb -0.17 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1z9n s PRO 131 CO 0.12 -0.75 -0.07 0.14 0.04 0.00 0.00 177.00 176.47 1z9n s VAL 132 N -2.34 0.58 -0.10 -0.36 -7.23 -0.67 -4.98 120.40 105.30 1z9n s VAL 132 Ca 0.65 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1z9n s VAL 132 Cb -0.16 -0.96 -0.03 0.00 0.56 0.00 0.00 36.38 35.79 1z9n s VAL 132 CO 0.34 -0.55 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.34 1z9n s LEU 133 N -2.06 3.44 -0.64 1.32 2.96 -1.26 -0.73 118.68 121.71 1z9n s LEU 133 Ca -0.03 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.89 1z9n s LEU 133 Cb -0.05 -1.79 0.17 0.00 0.50 0.00 0.00 46.19 45.02 1z9n s LEU 133 CO -0.01 0.33 0.47 0.00 -1.32 0.00 0.00 176.35 175.81 1z9n s ALA 134 N -0.57 3.63 0.41 5.97 0.00 0.24 -4.53 121.76 126.92 1z9n s ALA 134 Ca 0.09 -3.24 0.32 0.00 0.00 0.00 0.00 51.96 49.14 1z9n s ALA 134 Cb -0.12 -2.76 1.65 0.00 0.00 0.00 0.00 23.12 21.89 1z9n s ALA 134 CO 0.02 -2.11 2.12 -1.00 0.00 0.00 0.00 175.76 174.79 1z9n h PRO 135 N 7.17 0.00 0.00 0.00 0.13 -1.79 -2.35 132.00 135.16 1z9n h PRO 135 Ca -0.01 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1z9n h PRO 135 Cb 0.97 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 1z9n h PRO 135 CO 0.72 0.07 -0.01 0.00 -0.23 0.00 0.00 178.00 178.55 1z9n h ARG 136 N 0.00 0.00 -5.50 0.86 3.08 -1.84 -3.41 114.38 107.57 1z9n h ARG 136 Ca -0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1z9n h ARG 136 Cb 0.29 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.24 1z9n h ARG 136 CO 0.01 0.01 -0.28 -0.51 -1.07 0.00 0.00 179.97 178.13 1z9n s LEU 137 N -6.21 4.22 -0.04 3.04 1.43 -0.90 -4.98 118.68 115.23 1z9n s LEU 137 Ca 0.07 0.54 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 1z9n s LEU 137 Cb 0.05 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1z9n s LEU 137 CO 0.67 0.04 0.01 0.29 0.23 0.00 0.00 176.35 177.59 1z9n n LYS 138 N 3.82 3.21 -4.53 1.70 4.76 -1.26 -1.07 118.16 124.79 1z9n n LYS 138 Ca -0.10 -0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.12 1z9n n LYS 138 Cb 0.52 -1.11 -0.14 0.00 -1.84 0.00 0.00 35.03 32.45 1z9n n LYS 138 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1z9n s LYS 139 N -2.10 1.09 0.42 1.97 -0.14 -1.26 -4.71 119.74 115.00 1z9n s LYS 139 Ca -0.02 -0.65 0.14 0.00 -1.36 0.00 0.00 55.97 54.07 1z9n s LYS 139 Cb 0.01 -1.08 1.01 0.00 -1.68 0.00 0.00 37.83 36.09 1z9n s LYS 139 CO 0.17 0.28 1.94 -0.07 -0.76 0.00 0.00 175.35 176.92 1z9n h LEU 140 N 5.35 0.42 -2.19 3.17 3.38 -1.96 -1.59 115.31 121.89 1z9n h LEU 140 Ca -0.37 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 1z9n h LEU 140 Cb 1.17 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1z9n h LEU 140 CO 0.46 0.23 -0.06 0.00 0.09 0.00 0.00 178.44 179.17 1z9n h ALA 141 N 1.66 1.43 -0.17 1.53 0.00 -1.98 -2.83 119.26 118.91 1z9n h ALA 141 Ca 0.33 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1z9n h ALA 141 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1z9n h ALA 141 CO -0.10 0.08 -0.13 0.93 0.00 0.00 0.00 179.25 180.03 1z9n h GLU 142 N 0.00 0.26 -0.01 0.00 5.08 -1.72 -3.02 114.58 115.17 1z9n h GLU 142 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1z9n h GLU 142 Cb 0.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1z9n h GLU 142 CO 0.01 0.40 -0.46 1.33 -1.00 0.00 0.00 179.01 179.29 1z9n n VAL 143 N -4.27 0.00 -2.34 3.13 0.24 -1.07 -4.94 118.33 109.09 1z9n n VAL 143 Ca -0.01 -0.22 -0.38 0.00 -2.04 0.00 0.00 64.34 61.69 1z9n n VAL 143 Cb 0.27 1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.70 1z9n n VAL 143 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1z9n s LYS 144 N -2.50 4.05 0.00 7.34 1.02 -1.14 -3.33 119.74 125.17 1z9n s LYS 144 Ca 0.19 1.77 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1z9n s LYS 144 Cb 0.18 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 1z9n s LYS 144 CO 0.57 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 1z9n n GLY 145 N 0.57 0.58 1.82 -3.33 0.00 0.45 -4.98 105.19 100.30 1z9n n GLY 145 Ca 0.05 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 1z9n n GLY 145 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1z9n n HIS 146 N -2.74 -0.11 -4.33 1.61 8.25 -1.19 -3.89 115.22 112.82 1z9n n HIS 146 Ca 0.00 -1.48 -0.25 0.00 -0.26 0.00 0.00 57.72 55.73 1z9n n HIS 146 Cb 0.03 0.06 -0.12 0.00 1.12 0.00 0.00 29.99 31.07 1z9n n HIS 146 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1z9n s SER 147 N -2.35 2.83 -0.23 0.41 1.04 -0.88 -0.90 113.70 113.62 1z9n s SER 147 Ca 0.15 -0.74 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 1z9n s SER 147 Cb 0.01 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 1z9n s SER 147 CO 0.11 0.08 0.01 -0.22 0.98 0.00 0.00 173.24 174.20 1z9n s LEU 148 N -2.13 3.14 -0.06 2.42 2.96 0.53 -0.40 118.68 125.14 1z9n s LEU 148 Ca 0.11 -0.31 0.05 0.00 -0.22 0.00 0.00 54.13 53.76 1z9n s LEU 148 Cb -0.09 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1z9n s LEU 148 CO 0.06 -0.02 -0.22 -0.32 -1.32 0.00 0.00 176.35 174.53 1z9n s MET 149 N 1.53 2.57 -0.14 1.98 -2.45 0.45 -1.79 119.30 121.46 1z9n s MET 149 Ca 0.06 -0.84 0.02 0.00 -1.25 0.00 0.00 55.69 53.68 1z9n s MET 149 Cb -0.15 -2.24 0.00 0.00 1.25 0.00 0.00 34.83 33.69 1z9n s MET 149 CO -0.00 0.44 -0.19 0.42 1.05 0.00 0.00 175.02 176.74 1z9n s ILE 150 N -0.30 2.41 0.36 10.11 1.01 0.26 -1.71 121.20 133.34 1z9n s ILE 150 Ca 0.01 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1z9n s ILE 150 Cb -0.13 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1z9n s ILE 150 CO 0.03 0.54 0.55 -1.00 0.00 0.00 0.00 174.94 175.05 1z9n s HIS 151 N 0.66 3.38 0.15 3.97 3.76 0.56 -0.60 115.29 127.17 1z9n s HIS 151 Ca -0.09 0.21 -0.10 0.00 -0.15 0.00 0.00 55.06 54.93 1z9n s HIS 151 Cb -0.16 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 1z9n s HIS 151 CO 0.02 0.01 1.48 0.00 -0.85 0.00 0.00 174.74 175.41 1z9n h ALA 152 N 0.72 0.59 -3.92 -1.40 0.00 -0.99 -3.38 119.26 110.88 1z9n h ALA 152 Ca -0.49 -0.45 -0.34 0.00 0.00 0.00 0.00 54.91 53.63 1z9n h ALA 152 Cb 1.23 -0.12 0.13 0.00 0.00 0.00 0.00 17.79 19.03 1z9n h ALA 152 CO 0.59 0.68 0.29 0.41 0.00 0.00 0.00 179.25 181.22 1z9n n GLY 153 N 0.12 -1.08 0.00 0.00 0.00 0.58 -4.90 105.19 99.92 1z9n n GLY 153 Ca -0.02 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1z9n n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9n n GLY 154 N -1.66 1.51 3.05 -0.02 0.00 -1.24 -0.96 105.19 105.87 1z9n n GLY 154 Ca 0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 1z9n n GLY 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z9n s ASP 155 N -1.00 -0.69 0.00 1.61 -1.08 -1.23 -2.78 116.67 111.50 1z9n s ASP 155 Ca 0.00 0.47 0.15 0.00 -0.52 0.00 0.00 52.55 52.65 1z9n s ASP 155 Cb 0.00 1.70 0.46 0.00 -1.46 0.00 0.00 42.92 43.62 1z9n s ASP 155 CO 0.00 -0.29 1.36 -0.46 0.52 0.00 0.00 175.17 176.31 1z9n n ASN 156 N 5.40 1.93 -3.11 -0.34 6.94 -0.88 -4.90 115.26 120.30 1z9n n ASN 156 Ca -0.01 -1.91 -0.23 0.00 -0.02 0.00 0.00 54.58 52.41 1z9n n ASN 156 Cb 0.51 -0.21 0.03 0.00 -2.36 0.00 0.00 39.78 37.75 1z9n n ASN 156 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1z9n n HIS 157 N 0.53 -1.95 -3.98 -2.53 8.25 -1.26 -4.98 115.22 109.30 1z9n n HIS 157 Ca 0.14 0.52 -0.09 0.00 -0.26 0.00 0.00 57.72 58.02 1z9n n HIS 157 Cb 0.33 -4.14 -0.08 0.00 1.12 0.00 0.00 29.99 27.22 1z9n n HIS 157 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1z9n s SER 158 N -2.72 0.12 0.00 0.41 0.15 -1.26 -3.95 113.70 106.45 1z9n s SER 158 Ca 0.33 -0.90 0.25 0.00 0.70 0.00 0.00 55.95 56.33 1z9n s SER 158 Cb -0.16 0.39 1.04 0.00 -1.71 0.00 0.00 66.02 65.58 1z9n s SER 158 CO 0.41 -0.83 1.72 0.47 1.20 0.00 0.00 173.24 176.21 1z9n n ASP 159 N -0.16 1.25 -4.15 5.45 8.00 -1.26 -0.38 116.55 125.29 1z9n n ASP 159 Ca -0.08 -1.52 -0.24 0.00 0.71 0.00 0.00 54.79 53.66 1z9n n ASP 159 Cb 0.63 -0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.54 1z9n n ASP 159 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1z9n s HIS 160 N -1.92 1.46 -1.19 1.24 3.76 -1.26 -2.66 115.29 114.73 1z9n s HIS 160 Ca 0.36 -0.29 0.29 0.00 -0.15 0.00 0.00 55.06 55.27 1z9n s HIS 160 Cb 0.19 -0.92 1.35 0.00 1.11 0.00 0.00 32.58 34.30 1z9n s HIS 160 CO 0.30 -0.01 1.97 -0.35 -0.85 0.00 0.00 174.74 175.81 1z9n n PRO 161 N 2.50 0.19 -5.00 8.40 -0.04 -1.26 -4.98 135.00 134.82 1z9n n PRO 161 Ca -0.15 0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.04 1z9n n PRO 161 Cb 0.54 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.35 1z9n n PRO 161 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z9n s ALA 162 N -2.81 1.69 0.47 0.55 0.00 -1.23 -5.08 121.76 115.34 1z9n s ALA 162 Ca 0.20 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 51.06 1z9n s ALA 162 Cb 0.19 -0.44 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 1z9n s ALA 162 CO 0.49 0.41 0.96 -2.30 0.00 0.00 0.00 175.76 175.33 1z9n n PRO 163 N 2.60 1.20 -3.11 0.00 -0.02 -1.09 -3.14 135.00 131.44 1z9n n PRO 163 Ca -0.15 0.44 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 1z9n n PRO 163 Cb 0.53 -2.04 0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1z9n n PRO 163 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1z9n n LEU 164 N 0.26 -2.60 0.00 2.45 4.77 -1.25 -1.83 117.00 118.80 1z9n n LEU 164 Ca 0.10 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1z9n n LEU 164 Cb 0.41 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.62 1z9n n LEU 164 CO 0.55 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 1z9n n GLY 165 N -1.52 0.98 2.12 -0.72 0.00 0.49 -3.44 105.19 103.09 1z9n n GLY 165 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1z9n n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z9n n GLY 166 N -2.00 0.53 0.32 -0.02 0.00 -0.76 -2.08 105.19 101.18 1z9n n GLY 166 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 1z9n n GLY 166 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1z9n h GLY 167 N 0.00 1.03 0.00 -0.02 0.00 -1.54 -3.28 103.07 99.25 1z9n h GLY 167 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1z9n h GLY 167 CO 0.14 0.51 0.00 0.61 0.00 0.00 0.00 176.54 177.80 1z9n n GLY 168 N -0.97 2.17 3.62 4.60 0.00 -1.26 -0.30 105.19 113.05 1z9n n GLY 168 Ca 0.06 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1z9n n GLY 168 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1z9n n PRO 169 N 13.36 0.43 -3.38 1.61 -0.02 -1.26 -4.75 135.00 140.98 1z9n n PRO 169 Ca 0.00 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 1z9n n PRO 169 Cb 0.00 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.15 1z9n n PRO 169 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1z9n s ARG 170 N -3.47 3.51 -0.14 -0.52 0.52 -1.26 -0.72 118.95 116.87 1z9n s ARG 170 Ca 0.73 -0.45 -0.05 0.00 -0.52 0.00 0.00 55.73 55.44 1z9n s ARG 170 Cb -0.33 -3.82 -0.25 0.00 0.52 0.00 0.00 34.95 31.07 1z9n s ARG 170 CO 0.51 -0.57 0.27 -0.12 0.02 0.00 0.00 175.30 175.41 1z9n n MET 171 N 5.42 0.74 -3.68 3.54 0.00 0.23 -4.70 117.12 118.67 1z9n n MET 171 Ca -0.09 0.24 -0.13 0.00 -0.00 0.00 0.00 57.70 57.72 1z9n n MET 171 Cb 0.49 -1.68 -0.07 0.00 0.00 0.00 0.00 33.22 31.96 1z9n n MET 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1z9n s ALA 172 N -2.55 -0.99 -0.09 -5.12 0.00 -0.72 -1.16 121.76 111.13 1z9n s ALA 172 Ca -0.24 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 1z9n s ALA 172 Cb 0.07 0.26 0.07 0.00 0.00 0.00 0.00 23.12 23.52 1z9n s ALA 172 CO 0.74 -0.40 0.66 0.00 0.00 0.00 0.00 175.76 176.76 1z9n s GLY 174 N -0.91 0.12 -0.06 0.00 0.00 -0.74 -0.87 107.32 104.86 1z9n s GLY 174 Ca -0.09 -0.51 -0.16 0.00 0.00 0.00 0.00 44.72 43.96 1z9n s GLY 174 CO 0.08 -0.67 0.43 0.14 0.00 0.00 0.00 173.10 173.08 1z9n s VAL 175 N -2.98 5.11 -0.37 1.40 1.01 -1.26 -0.35 120.40 122.97 1z9n s VAL 175 Ca -0.02 0.87 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1z9n s VAL 175 Cb 0.01 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1z9n s VAL 175 CO -0.06 0.45 0.47 -0.63 0.00 0.00 0.00 175.10 175.33 1z9n s ILE 176 N -0.21 5.06 -1.77 2.22 1.01 -0.07 -4.59 121.20 122.84 1z9n s ILE 176 Ca 0.24 0.11 0.14 0.00 0.00 0.00 0.00 60.65 61.14 1z9n s ILE 176 Cb -0.16 -3.96 0.11 0.00 0.01 0.00 0.00 42.46 38.47 1z9n s ILE 176 CO 0.11 -0.25 0.95 0.29 0.00 0.00 0.00 174.94 176.04