#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9v s GLN 2 N 0.00 2.56 0.32 1.43 -0.44 -1.26 -4.71 119.66 117.56 1a9v s GLN 2 Ca 0.00 -0.72 -0.00 0.00 -2.50 0.00 0.00 55.36 52.14 1a9v s GLN 2 Cb 0.00 -2.47 -0.01 0.00 -1.64 0.00 0.00 33.01 28.89 1a9v s GLN 2 CO 0.00 -0.72 0.40 0.14 0.50 0.00 0.00 175.29 175.61 1a9v s VAL 3 N -2.78 0.00 0.22 1.34 -7.23 -1.24 -3.96 120.40 106.75 1a9v s VAL 3 Ca 0.57 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.72 1a9v s VAL 3 Cb -0.10 -2.57 -0.09 0.00 0.56 0.00 0.00 36.38 34.18 1a9v s VAL 3 CO 0.39 0.00 0.93 -0.62 -0.31 0.00 0.00 175.10 175.49 1a9v s ASP 4 N -3.26 7.62 -0.03 4.85 2.15 -1.14 -4.69 116.67 122.17 1a9v s ASP 4 Ca 0.33 1.91 -0.30 0.00 0.43 0.00 0.00 52.55 54.93 1a9v s ASP 4 Cb 0.01 -2.60 0.11 0.00 -0.30 0.00 0.00 42.92 40.13 1a9v s ASP 4 CO 0.21 0.13 0.95 0.54 -0.17 0.00 0.00 175.17 176.83 1a9v s VAL 5 N -1.03 0.00 -0.06 1.11 0.11 -1.26 -4.67 120.40 114.60 1a9v s VAL 5 Ca 0.41 -0.04 -0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1a9v s VAL 5 Cb -0.25 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.54 1a9v s VAL 5 CO 0.31 0.00 0.16 -0.54 -3.33 0.00 0.00 175.10 171.70 1a9v s LYS 6 N -3.01 0.19 0.43 1.54 1.02 -0.67 -4.96 119.74 114.28 1a9v s LYS 6 Ca 0.06 0.21 -0.22 0.00 0.02 0.00 0.00 55.97 56.04 1a9v s LYS 6 Cb -0.01 0.09 -0.09 0.00 -0.52 0.00 0.00 37.83 37.30 1a9v s LYS 6 CO -0.08 -0.02 1.02 0.34 -0.92 0.00 0.00 175.35 175.69 1a9v s ASP 7 N 0.07 6.71 -0.01 2.83 2.15 -1.26 -0.69 116.67 126.46 1a9v s ASP 7 Ca -0.00 1.93 0.02 0.00 0.43 0.00 0.00 52.55 54.92 1a9v s ASP 7 Cb -0.01 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.06 1a9v s ASP 7 CO 0.00 -0.53 0.84 0.00 -0.17 0.00 0.00 175.17 175.32 1a9v n ALA 9 N -0.16 1.73 -2.83 0.00 0.00 -1.26 -4.95 120.51 113.04 1a9v n ALA 9 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 1a9v n ALA 9 Cb 0.60 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.10 1a9v n ALA 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1a9v n ASN 10 N -0.73 -1.89 -2.21 0.00 5.15 -1.26 -4.95 115.26 109.37 1a9v n ASN 10 Ca 0.00 -3.43 -0.08 0.00 -0.60 0.00 0.00 54.58 50.47 1a9v n ASN 10 Cb 0.00 1.37 -0.02 0.00 -0.53 0.00 0.00 39.78 40.61 1a9v n ASN 10 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1a9v n HIS 11 N 0.79 -1.04 -0.50 1.20 8.25 -1.26 -4.66 115.22 118.00 1a9v n HIS 11 Ca 0.11 0.13 -0.01 0.00 -0.26 0.00 0.00 57.72 57.69 1a9v n HIS 11 Cb 0.66 -0.76 0.27 0.00 1.12 0.00 0.00 29.99 31.28 1a9v n HIS 11 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1a9v n GLU 12 N -1.86 3.48 -2.02 -0.41 0.00 -1.26 -4.91 120.64 113.66 1a9v n GLU 12 Ca 0.02 -2.37 -0.01 0.00 0.00 0.00 0.00 57.16 54.80 1a9v n GLU 12 Cb 0.29 -2.04 -0.00 0.00 0.00 0.00 0.00 31.44 29.69 1a9v n GLU 12 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1a9v n ILE 13 N 0.17 0.00 0.00 6.31 5.41 -1.26 -3.86 119.36 126.13 1a9v n ILE 13 Ca 0.27 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.93 1a9v n ILE 13 Cb 1.08 -0.06 0.00 0.00 -0.71 0.00 0.00 39.64 39.95 1a9v n ILE 13 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1a9v n LYS 14 N -0.13 0.00 -3.77 0.38 2.85 -0.83 -4.83 118.16 111.84 1a9v n LYS 14 Ca -0.01 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 1a9v n LYS 14 Cb 0.02 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.29 1a9v n LYS 14 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1a9v s LYS 15 N -1.14 0.31 -0.26 -1.58 2.20 -0.96 -4.97 119.74 113.34 1a9v s LYS 15 Ca 0.00 0.42 -0.02 0.00 -0.36 0.00 0.00 55.97 56.01 1a9v s LYS 15 Cb 0.00 0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.51 1a9v s LYS 15 CO 0.00 -0.06 0.08 0.08 -0.36 0.00 0.00 175.35 175.09 1a9v s VAL 16 N 0.36 0.56 -0.23 4.02 1.01 -1.26 -0.81 120.40 124.04 1a9v s VAL 16 Ca -0.02 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1a9v s VAL 16 Cb -0.03 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 1a9v s VAL 16 CO -0.01 -0.50 0.18 -0.76 0.00 0.00 0.00 175.10 174.01 1a9v s LEU 17 N 1.81 4.13 -0.00 3.92 1.43 0.54 -4.32 118.68 126.18 1a9v s LEU 17 Ca 0.05 0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1a9v s LEU 17 Cb -0.17 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.91 1a9v s LEU 17 CO -0.20 0.07 0.05 -0.69 0.23 0.00 0.00 176.35 175.80 1a9v s VAL 18 N 0.99 0.05 0.22 -1.59 1.01 -1.26 -1.04 120.40 118.78 1a9v s VAL 18 Ca 0.09 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1a9v s VAL 18 Cb -0.13 -0.22 -0.09 0.00 0.00 0.00 0.00 36.38 35.94 1a9v s VAL 18 CO 0.04 -0.25 1.33 -2.16 0.00 0.00 0.00 175.10 174.07 1a9v s PRO 19 N -0.76 4.37 0.00 2.72 0.04 -1.25 -3.98 135.00 136.13 1a9v s PRO 19 Ca -0.08 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1a9v s PRO 19 Cb -0.05 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1a9v s PRO 19 CO 0.00 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.17 1a9v n GLY 20 N 2.24 2.19 3.74 0.56 0.00 -1.26 -4.90 105.19 107.76 1a9v n GLY 20 Ca 0.06 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1a9v n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9v n HIS 22 N 2.92 0.00 -2.46 0.00 1.44 -1.26 -4.52 115.22 111.34 1a9v n HIS 22 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 1a9v n HIS 22 Cb 0.50 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.62 1a9v n HIS 22 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a9v n GLY 23 N 0.00 0.90 0.07 -1.39 0.00 -1.25 -3.68 105.19 99.84 1a9v n GLY 23 Ca 0.00 -0.42 0.07 0.00 0.00 0.00 0.00 46.02 45.67 1a9v n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a9v n SER 24 N 0.00 0.28 -3.68 1.61 7.64 -1.26 -2.89 113.62 115.33 1a9v n SER 24 Ca 0.00 0.60 -0.30 0.00 1.01 0.00 0.00 58.87 60.18 1a9v n SER 24 Cb 0.00 -0.65 0.27 0.00 -1.01 0.00 0.00 64.21 62.82 1a9v n SER 24 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1a9v s GLU 25 N -3.20 -2.16 -0.28 1.43 2.02 -1.26 -5.01 118.70 110.24 1a9v s GLU 25 Ca 0.02 0.13 -0.08 0.00 0.02 0.00 0.00 54.97 55.06 1a9v s GLU 25 Cb 0.06 -1.47 -0.01 0.00 0.10 0.00 0.00 34.13 32.81 1a9v s GLU 25 CO 0.21 -4.37 0.10 -1.25 0.02 0.00 0.00 175.26 169.97 1a9v s PRO 26 N -5.13 3.40 -0.66 0.39 0.05 -1.26 -4.81 135.00 126.98 1a9v s PRO 26 Ca 0.69 -0.66 -0.19 0.00 0.05 0.00 0.00 61.00 60.89 1a9v s PRO 26 Cb -0.13 -3.42 0.11 0.00 0.05 0.00 0.00 34.50 31.11 1a9v s PRO 26 CO 0.58 -0.33 0.80 0.00 0.05 0.00 0.00 177.00 178.10 1a9v n ILE 28 N 5.49 4.05 -1.55 0.00 2.08 -1.26 -1.21 119.36 126.97 1a9v n ILE 28 Ca -0.03 -3.31 -0.57 0.00 0.56 0.00 0.00 62.75 59.40 1a9v n ILE 28 Cb 0.44 -2.51 -0.07 0.00 -0.75 0.00 0.00 39.64 36.75 1a9v n ILE 28 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1a9v n ILE 29 N 3.99 0.01 0.00 1.39 3.06 -1.26 -4.90 119.36 121.64 1a9v n ILE 29 Ca 0.58 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.83 1a9v n ILE 29 Cb 0.33 -0.34 0.00 0.00 0.54 0.00 0.00 39.64 40.17 1a9v n ILE 29 CO 0.00 0.00 0.00 1.57 -2.50 0.00 0.00 176.55 175.62 1a9v n HIS 30 N 2.07 0.00 -3.94 9.51 -0.00 -1.26 -4.99 115.22 116.61 1a9v n HIS 30 Ca 0.20 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.83 1a9v n HIS 30 Cb 0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.04 1a9v n HIS 30 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1a9v s ARG 31 N -0.19 1.33 0.02 1.57 0.52 -1.26 -5.08 118.95 115.85 1a9v s ARG 31 Ca 0.00 -1.16 0.00 0.00 -0.52 0.00 0.00 55.73 54.05 1a9v s ARG 31 Cb 0.00 0.43 0.00 0.00 0.52 0.00 0.00 34.95 35.90 1a9v s ARG 31 CO 0.00 -0.52 0.00 0.41 0.02 0.00 0.00 175.30 175.21 1a9v n GLY 32 N -0.29 -3.76 3.04 -3.53 0.00 0.37 -4.93 105.19 96.08 1a9v n GLY 32 Ca -0.06 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.87 1a9v n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9v s LYS 33 N -2.98 1.85 0.01 1.61 -0.14 -0.33 -4.90 119.74 114.85 1a9v s LYS 33 Ca 0.00 -2.10 0.01 0.00 -1.36 0.00 0.00 55.97 52.52 1a9v s LYS 33 Cb 0.00 -3.39 -0.04 0.00 -1.68 0.00 0.00 37.83 32.72 1a9v s LYS 33 CO 0.00 -1.04 0.02 -1.25 -0.76 0.00 0.00 175.35 172.32 1a9v s PRO 34 N 0.60 2.84 -0.40 -1.68 0.04 -1.26 0.84 135.00 135.98 1a9v s PRO 34 Ca 0.12 -0.60 0.04 0.00 0.04 0.00 0.00 61.00 60.60 1a9v s PRO 34 Cb -0.22 -2.71 0.11 0.00 0.04 0.00 0.00 34.50 31.73 1a9v s PRO 34 CO -0.05 0.62 0.12 -0.06 0.04 0.00 0.00 177.00 177.68 1a9v s PHE 35 N -1.14 3.48 -0.75 0.56 0.08 -0.30 -4.93 117.98 114.99 1a9v s PHE 35 Ca 0.21 -3.02 -0.00 0.00 0.12 0.00 0.00 56.93 54.24 1a9v s PHE 35 Cb -0.12 -2.84 0.19 0.00 -0.57 0.00 0.00 43.02 39.68 1a9v s PHE 35 CO 0.12 -0.88 0.59 -0.65 -0.10 0.00 0.00 175.22 174.30 1a9v s GLN 36 N 0.52 2.82 0.01 0.44 1.11 -1.17 -1.59 119.66 121.79 1a9v s GLN 36 Ca 0.13 -3.05 0.03 0.00 0.01 0.00 0.00 55.36 52.48 1a9v s GLN 36 Cb -0.21 -3.74 -0.03 0.00 -1.01 0.00 0.00 33.01 28.02 1a9v s GLN 36 CO -0.06 -1.23 -0.05 -0.48 0.01 0.00 0.00 175.29 173.48 1a9v s LEU 37 N -0.96 3.26 -0.01 2.90 0.05 -0.11 -3.96 118.68 119.85 1a9v s LEU 37 Ca 0.23 -0.12 -0.01 0.00 0.05 0.00 0.00 54.13 54.29 1a9v s LEU 37 Cb -0.11 -1.88 0.00 0.00 -2.05 0.00 0.00 46.19 42.15 1a9v s LEU 37 CO -0.10 0.28 0.02 -1.83 -0.55 0.00 0.00 176.35 174.16 1a9v s GLU 38 N -1.50 0.01 0.01 1.48 4.04 -0.21 -0.64 118.70 121.89 1a9v s GLU 38 Ca 0.18 0.04 -0.04 0.00 0.04 0.00 0.00 54.97 55.19 1a9v s GLU 38 Cb -0.11 -0.01 -0.01 0.00 0.02 0.00 0.00 34.13 34.02 1a9v s GLU 38 CO 0.09 -0.02 0.06 0.00 -1.84 0.00 0.00 175.26 173.55 1a9v s ALA 39 N 0.11 -0.14 -0.07 -0.84 0.00 -0.41 -0.34 121.76 120.08 1a9v s ALA 39 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1a9v s ALA 39 Cb -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1a9v s ALA 39 CO -0.00 -0.17 -0.07 0.14 0.00 0.00 0.00 175.76 175.66 1a9v s VAL 40 N -1.24 3.72 -0.25 0.00 -7.23 0.01 -0.72 120.40 114.68 1a9v s VAL 40 Ca -0.13 -0.48 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 1a9v s VAL 40 Cb -0.08 -2.52 0.09 0.00 0.56 0.00 0.00 36.38 34.43 1a9v s VAL 40 CO 0.00 0.60 0.59 0.72 -0.31 0.00 0.00 175.10 176.70 1a9v s PHE 41 N -0.82 -0.99 0.69 2.82 -0.12 -0.14 -1.96 117.98 117.46 1a9v s PHE 41 Ca 0.12 1.92 -0.13 0.00 -0.05 0.00 0.00 56.93 58.79 1a9v s PHE 41 Cb -0.11 0.55 0.02 0.00 -0.63 0.00 0.00 43.02 42.85 1a9v s PHE 41 CO 0.02 -0.51 1.10 -2.00 -0.05 0.00 0.00 175.22 173.77 1a9v s GLU 42 N 1.94 2.66 0.01 1.99 2.12 -1.25 -1.22 118.70 124.95 1a9v s GLU 42 Ca -0.08 1.28 -0.20 0.00 0.36 0.00 0.00 54.97 56.33 1a9v s GLU 42 Cb -0.08 -1.94 -0.06 0.00 0.26 0.00 0.00 34.13 32.31 1a9v s GLU 42 CO -0.17 -1.34 0.57 0.00 -0.54 0.00 0.00 175.26 173.77 1a9v s ALA 43 N -2.58 3.52 -0.49 6.30 0.00 -0.24 -4.83 121.76 123.44 1a9v s ALA 43 Ca 0.64 0.00 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1a9v s ALA 43 Cb -0.19 -2.69 0.41 0.00 0.00 0.00 0.00 23.12 20.65 1a9v s ALA 43 CO 0.47 0.23 1.23 0.27 0.00 0.00 0.00 175.76 177.95 1a9v n ASN 44 N 2.51 5.07 0.00 0.00 2.04 -1.26 -0.06 115.26 123.56 1a9v n ASN 44 Ca -0.08 -3.74 0.00 0.00 -0.44 0.00 0.00 54.58 50.32 1a9v n ASN 44 Cb 0.51 -0.54 0.00 0.00 -2.53 0.00 0.00 39.78 37.22 1a9v n ASN 44 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1a9v n GLN 45 N -0.49 0.00 -4.15 -3.83 10.64 -1.26 -4.98 117.38 113.31 1a9v n GLN 45 Ca 0.41 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.31 1a9v n GLN 45 Cb 0.61 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.92 1a9v n GLN 45 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1a9v s ASN 46 N -4.00 5.06 -0.17 2.61 3.84 -1.26 0.17 114.94 121.19 1a9v s ASN 46 Ca 0.00 -0.26 -0.31 0.00 0.21 0.00 0.00 52.86 52.50 1a9v s ASN 46 Cb 0.00 -1.19 0.14 0.00 -0.55 0.00 0.00 41.25 39.65 1a9v s ASN 46 CO 0.00 0.10 1.12 0.28 -2.79 0.00 0.00 177.10 175.82 1a9v s THR 47 N -1.63 0.00 -0.57 -5.21 -1.32 0.29 -4.76 115.64 102.44 1a9v s THR 47 Ca 0.28 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.82 1a9v s THR 47 Cb -0.10 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.02 1a9v s THR 47 CO 0.20 0.00 1.00 0.29 -2.21 0.00 0.00 174.62 173.90 1a9v n LYS 48 N 0.31 2.01 -3.58 7.08 5.02 -1.26 0.75 118.16 128.49 1a9v n LYS 48 Ca -0.05 -1.51 -0.10 0.00 -2.02 0.00 0.00 58.31 54.63 1a9v n LYS 48 Cb 0.59 -1.13 -0.05 0.00 -0.02 0.00 0.00 35.03 34.41 1a9v n LYS 48 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1a9v s THR 49 N -0.85 0.00 -0.24 -0.18 -4.23 -1.26 -4.75 115.64 104.12 1a9v s THR 49 Ca 0.11 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 1a9v s THR 49 Cb 0.06 -1.00 0.13 0.00 1.34 0.00 0.00 72.50 73.03 1a9v s THR 49 CO 0.08 0.00 0.36 0.00 -0.54 0.00 0.00 174.62 174.52 1a9v s ALA 50 N -1.08 -1.00 1.02 3.99 0.00 -1.26 -1.26 121.76 122.18 1a9v s ALA 50 Ca -0.02 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 52.65 1a9v s ALA 50 Cb -0.01 -1.67 0.09 0.00 0.00 0.00 0.00 23.12 21.53 1a9v s ALA 50 CO 0.01 -1.30 0.44 0.36 0.00 0.00 0.00 175.76 175.27 1a9v n LYS 51 N 5.36 -0.80 -3.85 0.00 2.85 0.89 -3.48 118.16 119.13 1a9v n LYS 51 Ca -0.03 -0.68 -0.12 0.00 -1.05 0.00 0.00 58.31 56.42 1a9v n LYS 51 Cb 0.50 -0.50 -0.13 0.00 -0.65 0.00 0.00 35.03 34.25 1a9v n LYS 51 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1a9v s ILE 52 N -1.92 -0.00 -0.17 0.58 1.01 -1.12 -1.83 121.20 117.74 1a9v s ILE 52 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 1a9v s ILE 52 Cb -0.01 -0.10 0.07 0.00 0.01 0.00 0.00 42.46 42.42 1a9v s ILE 52 CO 0.18 0.00 0.11 -0.70 0.00 0.00 0.00 174.94 174.54 1a9v s GLU 53 N 0.04 0.08 -0.13 2.79 2.56 0.00 -4.77 118.70 119.27 1a9v s GLU 53 Ca -0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 54.97 54.75 1a9v s GLU 53 Cb -0.01 -1.73 -0.04 0.00 2.00 0.00 0.00 34.13 34.36 1a9v s GLU 53 CO 0.00 -0.67 0.52 -1.50 -0.56 0.00 0.00 175.26 173.05 1a9v s ILE 54 N 2.17 5.15 -0.30 -3.70 1.10 -1.26 -1.41 121.20 122.95 1a9v s ILE 54 Ca 0.03 1.02 0.02 0.00 -0.51 0.00 0.00 60.65 61.21 1a9v s ILE 54 Cb -0.16 -3.85 0.08 0.00 0.15 0.00 0.00 42.46 38.68 1a9v s ILE 54 CO -0.09 0.28 0.01 -0.75 -2.11 0.00 0.00 174.94 172.28 1a9v s LYS 55 N 0.89 1.46 -0.10 3.50 2.36 -0.12 -4.60 119.74 123.14 1a9v s LYS 55 Ca 0.27 -1.43 0.01 0.00 -2.55 0.00 0.00 55.97 52.27 1a9v s LYS 55 Cb -0.15 -2.77 -0.02 0.00 -1.05 0.00 0.00 37.83 33.83 1a9v s LYS 55 CO 0.11 -0.81 -0.13 0.00 1.55 0.00 0.00 175.35 176.07 1a9v s ALA 56 N 1.19 2.67 -0.46 3.13 0.00 -1.22 -1.12 121.76 125.95 1a9v s ALA 56 Ca 0.04 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 1a9v s ALA 56 Cb -0.19 -1.13 0.11 0.00 0.00 0.00 0.00 23.12 21.92 1a9v s ALA 56 CO -0.11 0.39 0.34 -1.54 0.00 0.00 0.00 175.76 174.84 1a9v s SER 57 N -0.13 5.71 -0.35 0.00 1.04 -0.46 -0.61 113.70 118.90 1a9v s SER 57 Ca -0.01 -1.85 -0.05 0.00 0.48 0.00 0.00 55.95 54.52 1a9v s SER 57 Cb -0.14 -2.01 0.06 0.00 0.10 0.00 0.00 66.02 64.03 1a9v s SER 57 CO 0.03 -0.67 0.12 0.27 0.98 0.00 0.00 173.24 173.97 1a9v s ILE 58 N 1.38 3.62 -0.71 -1.02 -4.36 -1.25 -0.75 121.20 118.11 1a9v s ILE 58 Ca 0.05 -1.35 -0.15 0.00 -0.26 0.00 0.00 60.65 58.94 1a9v s ILE 58 Cb -0.26 -3.14 0.02 0.00 1.25 0.00 0.00 42.46 40.34 1a9v s ILE 58 CO -0.00 -0.28 0.43 -0.90 0.24 0.00 0.00 174.94 174.42 1a9v n ASP 59 N 4.76 -2.83 0.00 4.36 5.68 1.00 0.15 116.55 129.67 1a9v n ASP 59 Ca -0.11 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.39 1a9v n ASP 59 Cb 0.44 -1.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.38 1a9v n ASP 59 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9v n GLY 60 N -1.55 2.66 2.76 6.12 0.00 -1.26 -4.85 105.19 109.06 1a9v n GLY 60 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 1a9v n GLY 60 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1a9v n LEU 61 N 0.00 6.24 -4.62 0.99 0.00 0.40 -5.01 117.00 115.00 1a9v n LEU 61 Ca 0.00 -5.39 -0.44 0.00 0.00 0.00 0.00 56.01 50.18 1a9v n LEU 61 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 43.42 42.49 1a9v n LEU 61 CO 0.00 2.13 1.73 -1.84 0.00 0.00 0.00 177.39 179.41 1a9v n GLU 62 N -0.23 2.21 -2.52 1.96 0.28 -1.25 -3.75 120.64 117.33 1a9v n GLU 62 Ca 0.42 0.71 -0.37 0.00 -0.16 0.00 0.00 57.16 57.76 1a9v n GLU 62 Cb 0.33 -3.03 -0.04 0.00 1.43 0.00 0.00 31.44 30.13 1a9v n GLU 62 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1a9v s VAL 63 N 6.51 3.66 -0.41 3.84 -7.23 0.22 -4.88 120.40 122.12 1a9v s VAL 63 Ca 0.97 1.34 0.08 0.00 -1.81 0.00 0.00 61.98 62.56 1a9v s VAL 63 Cb -0.45 -3.73 0.26 0.00 0.56 0.00 0.00 36.38 33.02 1a9v s VAL 63 CO 0.41 0.07 0.56 -0.67 -0.31 0.00 0.00 175.10 175.16 1a9v n ASP 64 N 0.15 0.59 -3.53 4.85 -0.08 -1.26 -3.39 116.55 113.88 1a9v n ASP 64 Ca 0.04 -2.80 -0.14 0.00 -1.51 0.00 0.00 54.79 50.39 1a9v n ASP 64 Cb 0.49 -0.64 -0.05 0.00 2.34 0.00 0.00 41.12 43.26 1a9v n ASP 64 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1a9v s VAL 65 N -1.45 0.00 0.14 5.18 0.11 -1.26 -5.14 120.40 117.97 1a9v s VAL 65 Ca 0.36 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.15 1a9v s VAL 65 Cb 0.19 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.97 1a9v s VAL 65 CO -0.10 0.00 0.82 -2.16 -3.33 0.00 0.00 175.10 170.33 1a9v s PRO 66 N -1.58 4.60 -0.41 1.54 0.04 -1.26 -4.84 135.00 133.10 1a9v s PRO 66 Ca -0.05 1.21 0.08 0.00 0.04 0.00 0.00 61.00 62.28 1a9v s PRO 66 Cb -0.00 -3.31 0.43 0.00 0.04 0.00 0.00 34.50 31.66 1a9v s PRO 66 CO 0.03 0.44 1.07 0.41 0.04 0.00 0.00 177.00 178.99 1a9v n GLY 67 N 1.88 4.85 2.48 0.56 0.00 -1.26 -5.07 105.19 108.63 1a9v n GLY 67 Ca -0.03 -2.39 0.03 0.00 0.00 0.00 0.00 46.02 43.62 1a9v n GLY 67 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1a9v n ILE 68 N -0.37 0.00 -3.70 -0.61 0.13 -1.26 -4.53 119.36 109.03 1a9v n ILE 68 Ca 0.31 -0.04 -0.35 0.00 -1.10 0.00 0.00 62.75 61.57 1a9v n ILE 68 Cb 0.70 0.33 -0.08 0.00 -0.84 0.00 0.00 39.64 39.74 1a9v n ILE 68 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1a9v s ASP 69 N -2.81 5.60 0.00 9.51 2.15 -1.26 -4.92 116.67 124.94 1a9v s ASP 69 Ca 0.20 -3.46 0.00 0.00 0.43 0.00 0.00 52.55 49.72 1a9v s ASP 69 Cb -0.00 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 1a9v s ASP 69 CO -0.01 -0.23 0.60 -0.81 -0.17 0.00 0.00 175.17 174.55 1a9v n PRO 70 N 2.66 0.00 -3.38 4.34 -0.04 -1.26 -4.14 135.00 133.18 1a9v n PRO 70 Ca 0.17 0.16 -0.46 0.00 -0.04 0.00 0.00 63.50 63.33 1a9v n PRO 70 Cb 0.37 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 32.05 1a9v n PRO 70 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1a9v s ASN 71 N -2.20 6.55 0.00 3.54 0.01 -1.25 -2.80 114.94 118.79 1a9v s ASN 71 Ca 0.00 -2.69 0.08 0.00 -0.71 0.00 0.00 52.86 49.54 1a9v s ASN 71 Cb 0.00 -2.16 0.49 0.00 0.41 0.00 0.00 41.25 39.99 1a9v s ASN 71 CO 0.00 -0.55 1.23 0.00 -1.51 0.00 0.00 177.10 176.27 1a9v n ALA 72 N 3.94 2.45 0.12 0.60 0.00 -1.23 -3.07 120.51 123.33 1a9v n ALA 72 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1a9v n ALA 72 Cb 0.46 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.79 1a9v n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a9v n HIS 74 N -3.30 0.00 -0.65 0.00 8.25 -1.17 -2.91 115.22 115.43 1a9v n HIS 74 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1a9v n HIS 74 Cb 0.77 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1a9v n HIS 74 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1a9v n TYR 75 N -0.66 0.00 -3.69 4.41 4.01 -0.94 -5.05 117.16 115.25 1a9v n TYR 75 Ca 0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.71 1a9v n TYR 75 Cb 0.03 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 38.95 1a9v n TYR 75 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1a9v s MET 76 N -0.02 0.32 -0.00 -0.72 0.23 -0.27 -5.05 119.30 113.79 1a9v s MET 76 Ca 0.00 0.80 -0.00 0.00 -1.03 0.00 0.00 55.69 55.45 1a9v s MET 76 Cb 0.00 0.03 -0.00 0.00 -1.53 0.00 0.00 34.83 33.33 1a9v s MET 76 CO 0.00 -0.19 0.01 0.36 -2.03 0.00 0.00 175.02 173.17 1a9v n LYS 77 N 4.61 0.00 -3.94 3.16 -0.00 -1.26 -4.59 118.16 116.14 1a9v n LYS 77 Ca -0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.78 1a9v n LYS 77 Cb 0.53 -0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.50 1a9v n LYS 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a9v s PRO 79 N -1.67 2.21 -0.16 0.00 0.04 -1.26 -5.10 135.00 129.04 1a9v s PRO 79 Ca 0.23 0.09 -0.13 0.00 0.04 0.00 0.00 61.00 61.23 1a9v s PRO 79 Cb -0.12 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1a9v s PRO 79 CO 0.14 -1.39 0.27 -0.51 0.04 0.00 0.00 177.00 175.55 1a9v s LEU 80 N -5.45 4.24 -0.09 -3.56 1.02 0.23 -4.93 118.68 110.13 1a9v s LEU 80 Ca 0.61 0.47 -0.02 0.00 0.02 0.00 0.00 54.13 55.20 1a9v s LEU 80 Cb -0.11 -2.33 -0.03 0.00 0.02 0.00 0.00 46.19 43.74 1a9v s LEU 80 CO 0.48 0.12 0.01 -0.69 0.02 0.00 0.00 176.35 176.29 1a9v s VAL 81 N 0.43 4.41 -0.38 -1.59 1.01 -1.26 -0.54 120.40 122.47 1a9v s VAL 81 Ca 0.15 -0.21 -0.44 0.00 0.00 0.00 0.00 61.98 61.48 1a9v s VAL 81 Cb -0.13 -2.86 -0.19 0.00 0.00 0.00 0.00 36.38 33.20 1a9v s VAL 81 CO 0.03 0.60 1.60 1.17 0.00 0.00 0.00 175.10 178.50 1a9v n LYS 82 N 2.21 0.38 0.00 2.72 0.00 0.46 -1.59 118.16 122.34 1a9v n LYS 82 Ca -0.19 0.14 0.00 0.00 0.00 0.00 0.00 58.31 58.26 1a9v n LYS 82 Cb 0.54 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.87 1a9v n LYS 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a9v n GLY 83 N 3.86 2.11 3.69 3.14 0.00 0.91 -4.86 105.19 114.05 1a9v n GLY 83 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1a9v n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a9v s GLN 84 N -0.38 4.35 0.43 1.61 -0.21 -0.62 -4.58 119.66 120.26 1a9v s GLN 84 Ca 0.00 1.79 -0.25 0.00 0.02 0.00 0.00 55.36 56.92 1a9v s GLN 84 Cb 0.00 -3.50 -0.08 0.00 1.00 0.00 0.00 33.01 30.42 1a9v s GLN 84 CO 0.00 -0.44 1.34 1.14 -2.12 0.00 0.00 175.29 175.21 1a9v s GLN 85 N 1.97 3.81 -0.07 2.91 -2.07 -1.26 -1.08 119.66 123.87 1a9v s GLN 85 Ca 0.59 2.22 -0.03 0.00 -1.82 0.00 0.00 55.36 56.32 1a9v s GLN 85 Cb -0.28 -2.67 0.04 0.00 -1.09 0.00 0.00 33.01 29.01 1a9v s GLN 85 CO 0.25 -0.65 0.15 0.71 -1.32 0.00 0.00 175.29 174.43 1a9v s TYR 86 N -1.26 -0.16 -0.09 9.60 2.02 -0.36 -4.85 117.35 122.25 1a9v s TYR 86 Ca 0.60 0.52 0.03 0.00 -0.37 0.00 0.00 57.07 57.84 1a9v s TYR 86 Cb -0.39 -0.16 -0.01 0.00 -0.40 0.00 0.00 41.96 40.99 1a9v s TYR 86 CO 0.50 -0.20 -0.19 0.16 -1.57 0.00 0.00 175.55 174.25 1a9v s ASP 87 N 1.62 3.54 0.27 2.29 -4.77 -1.26 -0.97 116.67 117.39 1a9v s ASP 87 Ca -0.04 -0.42 0.09 0.00 -3.30 0.00 0.00 52.55 48.88 1a9v s ASP 87 Cb -0.12 -1.27 -0.04 0.00 -1.09 0.00 0.00 42.92 40.40 1a9v s ASP 87 CO -0.06 0.21 0.08 -0.51 0.70 0.00 0.00 175.17 175.59 1a9v s ILE 88 N 0.08 3.69 0.11 2.11 1.10 0.10 -4.93 121.20 123.46 1a9v s ILE 88 Ca -0.09 -1.72 -0.10 0.00 -0.51 0.00 0.00 60.65 58.23 1a9v s ILE 88 Cb -0.15 -3.03 0.00 0.00 0.15 0.00 0.00 42.46 39.43 1a9v s ILE 88 CO 0.05 -0.34 0.24 -0.54 -2.11 0.00 0.00 174.94 172.25 1a9v s LYS 89 N -3.75 0.95 -0.26 3.50 1.02 -1.26 -1.28 119.74 118.64 1a9v s LYS 89 Ca 0.33 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.34 1a9v s LYS 89 Cb -0.06 0.37 0.14 0.00 -0.52 0.00 0.00 37.83 37.76 1a9v s LYS 89 CO 0.22 -0.32 0.38 -0.47 -0.92 0.00 0.00 175.35 174.23 1a9v s TYR 90 N -3.87 -0.85 -0.24 3.18 6.14 0.19 -4.86 117.35 117.04 1a9v s TYR 90 Ca 0.07 0.56 0.02 0.00 0.64 0.00 0.00 57.07 58.36 1a9v s TYR 90 Cb 0.04 -0.09 0.05 0.00 0.42 0.00 0.00 41.96 42.39 1a9v s TYR 90 CO -0.09 -0.83 -0.10 -0.08 0.64 0.00 0.00 175.55 175.09 1a9v s THR 91 N 2.53 1.90 -0.10 4.34 -1.32 -1.17 -0.93 115.64 120.88 1a9v s THR 91 Ca 0.11 -1.37 -0.03 0.00 -1.21 0.00 0.00 61.69 59.19 1a9v s THR 91 Cb -0.14 -2.02 0.05 0.00 -1.51 0.00 0.00 72.50 68.88 1a9v s THR 91 CO -0.22 0.03 0.13 0.86 -2.21 0.00 0.00 174.62 173.20 1a9v s TRP 92 N 1.25 -0.05 0.73 9.09 -0.00 -0.62 -4.92 118.94 124.42 1a9v s TRP 92 Ca -0.06 0.28 -0.11 0.00 -0.00 0.00 0.00 56.10 56.22 1a9v s TRP 92 Cb -0.19 -0.42 0.03 0.00 -0.00 0.00 0.00 33.47 32.89 1a9v s TRP 92 CO -0.06 -0.34 1.07 0.54 -0.00 0.00 0.00 176.95 178.16 1a9v s ASN 93 N 2.23 5.09 0.19 5.86 4.22 -1.26 -1.14 114.94 130.13 1a9v s ASN 93 Ca 0.04 1.50 -0.13 0.00 -2.14 0.00 0.00 52.86 52.13 1a9v s ASN 93 Cb -0.13 -2.33 0.01 0.00 1.28 0.00 0.00 41.25 40.08 1a9v s ASN 93 CO -0.06 -1.61 0.41 0.54 -2.04 0.00 0.00 177.10 174.33 1a9v s VAL 94 N -3.09 0.04 0.65 3.54 0.11 0.25 -4.87 120.40 117.03 1a9v s VAL 94 Ca 0.59 -1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 58.33 1a9v s VAL 94 Cb -0.14 -1.80 -0.14 0.00 -1.53 0.00 0.00 36.38 32.77 1a9v s VAL 94 CO 0.55 -0.18 -0.38 -0.81 -3.33 0.00 0.00 175.10 170.95 1a9v n PRO 95 N -0.29 0.00 0.10 1.54 -0.04 -1.26 -2.73 135.00 132.31 1a9v n PRO 95 Ca -0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.36 1a9v n PRO 95 Cb 0.63 -0.91 -0.04 0.00 -0.04 0.00 0.00 33.50 33.13 1a9v n PRO 95 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1a9v h LYS 96 N -0.39 0.00 -0.50 0.54 6.56 -1.90 -0.88 116.57 120.00 1a9v h LYS 96 Ca -0.39 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 58.94 1a9v h LYS 96 Cb 1.27 0.00 -0.36 0.00 -0.57 0.00 0.00 32.23 32.57 1a9v h LYS 96 CO 0.31 0.79 -1.00 1.51 -2.06 0.00 0.00 179.45 179.00 1a9v n ILE 97 N -3.34 0.98 0.03 1.86 3.06 -1.26 0.14 119.36 120.83 1a9v n ILE 97 Ca 0.01 -2.65 -0.02 0.00 -2.50 0.00 0.00 62.75 57.58 1a9v n ILE 97 Cb 0.84 1.09 -0.01 0.00 0.54 0.00 0.00 39.64 42.10 1a9v n ILE 97 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a9v h ALA 98 N 2.49 -0.21 -2.30 1.51 0.00 -1.95 -3.46 119.26 115.34 1a9v h ALA 98 Ca -0.17 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.19 1a9v h ALA 98 Cb 1.25 0.05 0.16 0.00 0.00 0.00 0.00 17.79 19.25 1a9v h ALA 98 CO 0.20 -0.20 0.28 -1.25 0.00 0.00 0.00 179.25 178.29 1a9v s PRO 99 N -1.88 1.79 -0.40 0.00 0.04 -1.26 -4.97 135.00 128.32 1a9v s PRO 99 Ca -0.02 1.32 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 1a9v s PRO 99 Cb 0.00 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.78 1a9v s PRO 99 CO 0.06 -2.02 0.21 0.15 0.04 0.00 0.00 177.00 175.43 1a9v s LYS 100 N -4.79 2.51 -0.85 4.56 -0.14 -1.26 -4.98 119.74 114.78 1a9v s LYS 100 Ca 0.63 -1.45 -0.27 0.00 -1.36 0.00 0.00 55.97 53.52 1a9v s LYS 100 Cb -0.19 -3.66 -0.19 0.00 -1.68 0.00 0.00 37.83 32.11 1a9v s LYS 100 CO 0.56 -0.90 2.56 -1.13 -0.76 0.00 0.00 175.35 175.69 1a9v n SER 101 N 4.83 0.73 0.03 2.83 3.41 -1.26 -3.44 113.62 120.75 1a9v n SER 101 Ca -0.10 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1a9v n SER 101 Cb 0.43 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 1a9v n SER 101 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1a9v n GLU 102 N 8.37 0.00 -2.77 4.33 1.02 -1.26 -4.45 120.64 125.87 1a9v n GLU 102 Ca 0.58 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.66 1a9v n GLU 102 Cb 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.63 1a9v n GLU 102 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1a9v n ASN 103 N -2.55 -3.30 -3.82 1.62 4.05 -1.22 -4.42 115.26 105.60 1a9v n ASN 103 Ca 0.00 -2.97 -0.13 0.00 0.45 0.00 0.00 54.58 51.93 1a9v n ASN 103 Cb 0.00 1.72 -0.14 0.00 1.23 0.00 0.00 39.78 42.59 1a9v n ASN 103 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1a9v s VAL 104 N 0.82 -0.01 -0.11 3.44 1.01 -1.25 0.33 120.40 124.63 1a9v s VAL 104 Ca 0.30 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 1a9v s VAL 104 Cb 0.04 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.32 1a9v s VAL 104 CO -0.09 0.02 0.26 -0.69 0.00 0.00 0.00 175.10 174.60 1a9v s VAL 105 N 0.29 -0.02 0.03 2.92 1.01 0.07 -4.48 120.40 120.22 1a9v s VAL 105 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.07 1a9v s VAL 105 Cb -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1a9v s VAL 105 CO -0.01 0.04 0.03 0.54 0.00 0.00 0.00 175.10 175.70 1a9v s VAL 106 N 0.83 4.32 -0.21 2.92 0.11 -0.09 -1.35 120.40 126.94 1a9v s VAL 106 Ca -0.06 -0.66 -0.02 0.00 -2.93 0.00 0.00 61.98 58.31 1a9v s VAL 106 Cb -0.07 -2.99 0.06 0.00 -1.53 0.00 0.00 36.38 31.86 1a9v s VAL 106 CO -0.05 0.28 0.02 -0.89 -3.33 0.00 0.00 175.10 171.13 1a9v s THR 107 N -1.20 0.72 0.04 5.04 2.01 -0.27 0.06 115.64 122.04 1a9v s THR 107 Ca 0.23 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.58 1a9v s THR 107 Cb -0.12 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1a9v s THR 107 CO 0.15 -0.21 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.00 1a9v s VAL 108 N 1.76 1.41 0.01 3.82 1.01 -0.61 -0.94 120.40 126.86 1a9v s VAL 108 Ca -0.01 -1.08 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1a9v s VAL 108 Cb -0.17 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1a9v s VAL 108 CO -0.08 0.13 -0.05 -0.75 0.00 0.00 0.00 175.10 174.35 1a9v s LYS 109 N -1.10 0.41 -0.15 2.72 2.36 -0.50 -0.94 119.74 122.54 1a9v s LYS 109 Ca 0.05 -0.34 -0.13 0.00 -2.55 0.00 0.00 55.97 53.00 1a9v s LYS 109 Cb -0.08 -0.32 -0.05 0.00 -1.05 0.00 0.00 37.83 36.33 1a9v s LYS 109 CO 0.01 0.08 0.29 0.08 1.55 0.00 0.00 175.35 177.36 1a9v s VAL 110 N -0.50 5.30 -0.23 4.02 1.01 -0.15 -0.82 120.40 129.04 1a9v s VAL 110 Ca -0.02 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.45 1a9v s VAL 110 Cb -0.04 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1a9v s VAL 110 CO -0.00 0.41 -0.01 -0.32 0.00 0.00 0.00 175.10 175.17 1a9v s MET 111 N 0.33 3.40 0.00 2.72 1.75 -0.76 0.51 119.30 127.25 1a9v s MET 111 Ca 0.17 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 53.98 1a9v s MET 111 Cb -0.13 -3.09 0.00 0.00 2.84 0.00 0.00 34.83 34.45 1a9v s MET 111 CO 0.04 -0.22 0.00 0.41 -0.65 0.00 0.00 175.02 174.60 1a9v n GLY 112 N 4.82 0.97 0.04 2.11 0.00 0.79 -0.08 105.19 113.84 1a9v n GLY 112 Ca -0.18 -1.38 0.14 0.00 0.00 0.00 0.00 46.02 44.61 1a9v n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a9v n ASP 113 N 0.00 0.20 0.00 1.61 5.75 -0.39 -3.53 116.55 120.20 1a9v n ASP 113 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 1a9v n ASP 113 Cb 0.00 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1a9v n ASP 113 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1a9v n ASP 114 N -1.22 0.27 -0.42 -1.12 5.68 -1.26 -4.95 116.55 113.53 1a9v n ASP 114 Ca 0.12 -0.62 0.00 0.00 -0.50 0.00 0.00 54.79 53.79 1a9v n ASP 114 Cb 0.28 0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1a9v n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a9v n GLY 115 N 0.29 -0.36 0.00 6.12 0.00 -1.23 -5.12 105.19 104.89 1a9v n GLY 115 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1a9v n GLY 115 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1a9v n VAL 116 N -0.07 0.00 0.24 1.61 3.14 -1.26 -4.77 118.33 117.22 1a9v n VAL 116 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1a9v n VAL 116 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1a9v n VAL 116 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1a9v n LEU 117 N 0.00 -4.26 -3.65 6.55 -0.00 0.18 -0.15 117.00 115.67 1a9v n LEU 117 Ca 0.00 0.94 -0.02 0.00 -0.00 0.00 0.00 56.01 56.93 1a9v n LEU 117 Cb 0.00 3.96 -0.06 0.00 -0.00 0.00 0.00 43.42 47.31 1a9v n LEU 117 CO 0.00 0.33 0.73 0.00 -0.00 0.00 0.00 177.39 178.45 1a9v s ALA 118 N -2.00 -2.34 -0.04 1.96 0.00 -0.87 -4.83 121.76 113.64 1a9v s ALA 118 Ca 0.00 2.17 0.02 0.00 0.00 0.00 0.00 51.96 54.14 1a9v s ALA 118 Cb 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.38 1a9v s ALA 118 CO 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 175.76 175.35 1a9v s ALA 120 N 0.64 -0.26 -0.13 0.00 0.00 -0.11 -1.87 121.76 120.03 1a9v s ALA 120 Ca -0.10 0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1a9v s ALA 120 Cb -0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1a9v s ALA 120 CO 0.01 -0.07 -0.08 -1.50 0.00 0.00 0.00 175.76 174.12 1a9v s ILE 121 N 0.25 3.57 0.34 0.00 -1.16 0.13 -1.57 121.20 122.77 1a9v s ILE 121 Ca -0.02 -0.49 0.04 0.00 -0.51 0.00 0.00 60.65 59.67 1a9v s ILE 121 Cb -0.03 -2.52 -0.01 0.00 0.61 0.00 0.00 42.46 40.51 1a9v s ILE 121 CO -0.01 0.53 0.13 0.00 -2.81 0.00 0.00 174.94 172.78 1a9v n ALA 122 N 3.21 0.49 -0.05 1.50 0.00 0.11 -1.66 120.51 124.11 1a9v n ALA 122 Ca -0.18 -1.74 -0.10 0.00 0.00 0.00 0.00 53.44 51.43 1a9v n ALA 122 Cb 0.53 1.19 -0.15 0.00 0.00 0.00 0.00 19.45 21.02 1a9v n ALA 122 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1a9v n THR 123 N -0.76 1.55 0.00 0.00 -2.24 -1.26 -0.91 114.28 110.66 1a9v n THR 123 Ca -0.04 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1a9v n THR 123 Cb 0.52 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1a9v n THR 123 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1a9v n HIS 124 N -2.98 0.00 -3.43 4.78 8.25 -1.26 -4.29 115.22 116.28 1a9v n HIS 124 Ca -0.23 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.22 1a9v n HIS 124 Cb 1.08 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.16 1a9v n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a9v s ALA 125 N 0.00 -1.94 0.18 -1.41 0.00 -1.26 -4.20 121.76 113.12 1a9v s ALA 125 Ca 0.00 1.93 0.02 0.00 0.00 0.00 0.00 51.96 53.91 1a9v s ALA 125 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 1a9v s ALA 125 CO 0.00 -1.09 0.06 1.63 0.00 0.00 0.00 175.76 176.36 1a9v n LYS 126 N 5.43 0.77 -3.70 0.00 4.76 -0.35 -4.19 118.16 120.88 1a9v n LYS 126 Ca -0.07 -1.51 -0.12 0.00 -2.87 0.00 0.00 58.31 53.74 1a9v n LYS 126 Cb 0.50 0.83 -0.09 0.00 -1.84 0.00 0.00 35.03 34.42 1a9v n LYS 126 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 1a9v s ILE 127 N -2.22 -0.01 -0.14 -0.18 2.07 -1.26 -4.02 121.20 115.44 1a9v s ILE 127 Ca 0.09 0.02 -0.30 0.00 -1.41 0.00 0.00 60.65 59.05 1a9v s ILE 127 Cb 0.00 -0.70 0.13 0.00 0.13 0.00 0.00 42.46 42.02 1a9v s ILE 127 CO 0.06 0.01 1.00 -0.60 -1.91 0.00 0.00 174.94 173.50 1a9v s ARG 128 N 0.60 0.60 0.00 3.50 6.06 -1.26 -4.71 118.95 123.74 1a9v s ARG 128 Ca -0.03 0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.29 1a9v s ARG 128 Cb -0.05 0.28 0.00 0.00 0.06 0.00 0.00 34.95 35.25 1a9v s ARG 128 CO -0.04 -0.20 0.00 -0.25 -2.50 0.00 0.00 175.30 172.31