#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 2.44 0.35 1.43 -1.52 -1.26 -4.77 119.66 116.33 1a9v s GLN 2 Ca 0.00 0.06 0.01 0.00 -1.95 0.00 0.00 55.36 53.48 1a9v s GLN 2 Cb 0.00 -2.10 -0.01 0.00 -0.22 0.00 0.00 33.01 30.69 1a9v s GLN 2 CO 0.00 -1.17 0.43 0.14 -0.25 0.00 0.00 175.29 174.43 1a9v s VAL 3 N -3.31 0.00 0.17 1.09 -7.23 -1.25 -3.87 120.40 106.01 1a9v s VAL 3 Ca 0.59 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.74 1a9v s VAL 3 Cb -0.11 -2.63 -0.07 0.00 0.56 0.00 0.00 36.38 34.13 1a9v s VAL 3 CO 0.48 0.00 0.97 -0.62 -0.31 0.00 0.00 175.10 175.61 1a9v s ASP 4 N -3.30 7.53 0.02 4.85 2.15 -1.09 -4.66 116.67 122.18 1a9v s ASP 4 Ca 0.34 1.89 -0.03 0.00 0.43 0.00 0.00 52.55 55.18 1a9v s ASP 4 Cb 0.00 -2.60 0.01 0.00 -0.30 0.00 0.00 42.92 40.03 1a9v s ASP 4 CO 0.24 0.01 0.15 0.55 -0.17 0.00 0.00 175.17 175.95 1a9v n VAL 5 N 2.19 0.00 -3.58 1.11 3.14 -1.26 -4.78 118.33 115.14 1a9v n VAL 5 Ca 0.01 -0.08 -0.12 0.00 -2.96 0.00 0.00 64.34 61.19 1a9v n VAL 5 Cb 0.48 0.11 -0.06 0.00 -1.06 0.00 0.00 33.84 33.31 1a9v n VAL 5 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1a9v s LYS 6 N -2.01 0.68 0.32 1.45 1.02 -0.88 -4.99 119.74 115.34 1a9v s LYS 6 Ca 0.03 0.34 -0.17 0.00 0.02 0.00 0.00 55.97 56.19 1a9v s LYS 6 Cb -0.00 0.33 -0.09 0.00 -0.52 0.00 0.00 37.83 37.54 1a9v s LYS 6 CO 0.01 -0.18 0.77 0.34 -0.92 0.00 0.00 175.35 175.36 1a9v s ASP 7 N -0.71 6.86 -0.01 2.83 -1.08 -1.26 -0.51 116.67 122.79 1a9v s ASP 7 Ca -0.02 1.37 0.02 0.00 -0.52 0.00 0.00 52.55 53.39 1a9v s ASP 7 Cb -0.02 -2.41 0.02 0.00 -1.46 0.00 0.00 42.92 39.06 1a9v s ASP 7 CO 0.01 -0.18 0.84 0.00 0.52 0.00 0.00 175.17 176.36 1a9v n ALA 9 N -0.14 1.57 -2.82 0.00 0.00 -1.26 -4.95 120.51 112.91 1a9v n ALA 9 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 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 -0.57 -2.07 -2.14 0.00 5.15 -1.26 -4.95 115.26 109.42 1a9v n ASN 10 Ca 0.00 -3.38 -0.05 0.00 -0.60 0.00 0.00 54.58 50.55 1a9v n ASN 10 Cb 0.00 1.43 -0.01 0.00 -0.53 0.00 0.00 39.78 40.67 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 1.00 -1.28 -0.05 1.20 8.25 -1.26 -4.66 115.22 118.42 1a9v n HIS 11 Ca 0.10 0.07 0.02 0.00 -0.26 0.00 0.00 57.72 57.65 1a9v n HIS 11 Cb 0.65 -0.78 0.21 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.91 2.95 -2.08 -0.41 0.00 -1.26 -4.89 120.64 113.05 1a9v n GLU 12 Ca 0.01 -1.71 -0.01 0.00 0.00 0.00 0.00 57.16 55.46 1a9v n GLU 12 Cb 0.34 -1.89 -0.00 0.00 0.00 0.00 0.00 31.44 29.89 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 0.25 0.00 0.00 6.31 5.41 -1.26 -3.83 119.36 126.24 1a9v n ILE 13 Ca 0.17 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1a9v n ILE 13 Cb 0.82 0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.75 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 -0.05 0.00 -3.80 0.38 2.85 -0.90 -4.82 118.16 111.83 1a9v n LYS 14 Ca -0.01 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.12 1a9v n LYS 14 Cb 0.02 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.26 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 -1.68 0.09 -0.29 -1.58 2.20 -0.98 -4.98 119.74 112.52 1a9v s LYS 15 Ca 0.00 0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.83 1a9v s LYS 15 Cb 0.00 -0.07 0.09 0.00 -1.51 0.00 0.00 37.83 36.35 1a9v s LYS 15 CO 0.00 -0.09 0.09 0.14 -0.36 0.00 0.00 175.35 175.13 1a9v s VAL 16 N 0.59 0.75 -0.16 4.02 -7.23 -1.26 -0.78 120.40 116.32 1a9v s VAL 16 Ca -0.04 -1.24 -0.15 0.00 -1.81 0.00 0.00 61.98 58.74 1a9v s VAL 16 Cb -0.06 -1.53 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 1a9v s VAL 16 CO -0.03 -0.62 0.35 -0.76 -0.31 0.00 0.00 175.10 173.73 1a9v s LEU 17 N 1.69 4.23 -0.01 1.32 1.43 0.84 -4.55 118.68 123.63 1a9v s LEU 17 Ca 0.08 0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1a9v s LEU 17 Cb -0.17 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 1a9v s LEU 17 CO -0.24 0.04 0.06 -0.69 0.23 0.00 0.00 176.35 175.75 1a9v s VAL 18 N 0.67 0.05 -0.44 -1.59 1.01 -1.26 -0.99 120.40 117.85 1a9v s VAL 18 Ca 0.19 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.44 1a9v s VAL 18 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1a9v s VAL 18 CO 0.06 -0.25 1.82 -2.16 0.00 0.00 0.00 175.10 174.57 1a9v s PRO 19 N -0.78 3.05 0.00 2.72 0.04 -1.24 -4.27 135.00 134.52 1a9v s PRO 19 Ca -0.09 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1a9v s PRO 19 Cb -0.05 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.22 1a9v s PRO 19 CO 0.00 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.24 1a9v n GLY 20 N 5.52 -1.29 3.92 0.56 0.00 -1.26 -4.92 105.19 107.72 1a9v n GLY 20 Ca 0.22 0.46 -0.26 0.00 0.00 0.00 0.00 46.02 46.44 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 -1.87 0.00 0.00 0.00 1.44 -1.26 -4.74 115.22 108.79 1a9v n HIS 22 Ca -0.02 -0.08 0.00 0.00 -2.01 0.00 0.00 57.72 55.61 1a9v n HIS 22 Cb 0.55 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.65 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 -0.09 -0.79 0.00 -1.39 0.00 -1.25 -3.75 105.19 97.92 1a9v n GLY 23 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 -3.84 1.61 7.64 -1.26 -2.68 113.62 115.09 1a9v n SER 24 Ca 0.00 0.45 -0.30 0.00 1.01 0.00 0.00 58.87 60.03 1a9v n SER 24 Cb 0.00 -0.47 0.26 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.93 -1.85 -0.21 1.43 2.02 -1.26 -5.02 118.70 110.88 1a9v s GLU 25 Ca 0.05 0.23 -0.06 0.00 0.02 0.00 0.00 54.97 55.21 1a9v s GLU 25 Cb 0.05 -1.50 -0.03 0.00 0.10 0.00 0.00 34.13 32.76 1a9v s GLU 25 CO 0.15 -4.19 0.03 -1.25 0.02 0.00 0.00 175.26 170.02 1a9v s PRO 26 N -5.04 3.68 -0.08 0.39 0.05 -1.26 -4.79 135.00 127.95 1a9v s PRO 26 Ca 0.69 -0.48 0.02 0.00 0.05 0.00 0.00 61.00 61.28 1a9v s PRO 26 Cb -0.15 -3.17 0.01 0.00 0.05 0.00 0.00 34.50 31.25 1a9v s PRO 26 CO 0.59 -0.00 -0.13 0.00 0.05 0.00 0.00 177.00 177.51 1a9v n ILE 28 N 4.03 0.00 -3.95 0.00 2.08 -1.26 0.10 119.36 120.36 1a9v n ILE 28 Ca -0.21 0.00 -0.29 0.00 0.56 0.00 0.00 62.75 62.81 1a9v n ILE 28 Cb 0.51 -0.46 -0.16 0.00 -0.75 0.00 0.00 39.64 38.78 1a9v n ILE 28 CO 0.00 0.00 0.00 -0.51 0.56 0.00 0.00 176.55 176.60 1a9v s ILE 29 N 0.00 1.34 0.00 1.39 -1.16 -1.26 -4.13 121.20 117.38 1a9v s ILE 29 Ca 0.00 -0.69 0.00 0.00 -0.51 0.00 0.00 60.65 59.45 1a9v s ILE 29 Cb 0.00 -1.41 0.00 0.00 0.61 0.00 0.00 42.46 41.66 1a9v s ILE 29 CO 0.00 0.24 0.00 1.41 -2.81 0.00 0.00 174.94 173.78 1a9v n HIS 30 N 4.81 0.00 -0.64 3.50 8.25 -1.26 -4.81 115.22 125.07 1a9v n HIS 30 Ca -0.14 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.02 1a9v n HIS 30 Cb 0.48 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.76 1a9v n HIS 30 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1a9v n ARG 31 N 0.00 -1.82 0.00 -0.41 1.74 -1.26 -4.92 116.66 109.98 1a9v n ARG 31 Ca 0.00 -0.52 0.00 0.00 -0.77 0.00 0.00 57.85 56.56 1a9v n ARG 31 Cb 0.00 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1a9v n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a9v n GLY 32 N 2.15 -2.06 2.83 -0.13 0.00 -1.26 -4.66 105.19 102.05 1a9v n GLY 32 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 1.55 -0.02 1.61 -0.14 0.45 -4.82 119.74 118.36 1a9v s LYS 33 Ca 0.00 -2.20 0.01 0.00 -1.36 0.00 0.00 55.97 52.42 1a9v s LYS 33 Cb 0.00 -2.76 -0.03 0.00 -1.68 0.00 0.00 37.83 33.35 1a9v s LYS 33 CO 0.00 -1.12 -0.02 -1.25 -0.76 0.00 0.00 175.35 172.20 1a9v s PRO 34 N 0.18 2.76 -0.39 -1.68 0.04 -1.26 0.37 135.00 135.02 1a9v s PRO 34 Ca 0.17 -0.60 0.02 0.00 0.04 0.00 0.00 61.00 60.63 1a9v s PRO 34 Cb -0.25 -2.64 0.11 0.00 0.04 0.00 0.00 34.50 31.77 1a9v s PRO 34 CO -0.01 0.64 0.15 -0.06 0.04 0.00 0.00 177.00 177.75 1a9v s PHE 35 N -1.01 2.75 -0.44 0.56 0.08 -0.53 -4.95 117.98 114.44 1a9v s PHE 35 Ca 0.17 -2.61 0.00 0.00 0.12 0.00 0.00 56.93 54.62 1a9v s PHE 35 Cb -0.11 -2.38 0.12 0.00 -0.57 0.00 0.00 43.02 40.07 1a9v s PHE 35 CO 0.07 -0.85 0.21 -0.65 -0.10 0.00 0.00 175.22 173.90 1a9v s GLN 36 N 0.70 1.93 -0.10 0.44 1.11 -1.23 -1.37 119.66 121.14 1a9v s GLN 36 Ca 0.13 -2.10 -0.01 0.00 0.01 0.00 0.00 55.36 53.39 1a9v s GLN 36 Cb -0.21 -3.45 -0.03 0.00 -1.01 0.00 0.00 33.01 28.31 1a9v s GLN 36 CO -0.09 -1.06 -0.04 -0.51 0.01 0.00 0.00 175.29 173.60 1a9v s LEU 37 N 0.61 3.27 -0.03 2.90 1.43 0.01 -3.73 118.68 123.14 1a9v s LEU 37 Ca 0.12 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1a9v s LEU 37 Cb -0.22 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1a9v s LEU 37 CO -0.05 0.30 0.05 -1.83 0.23 0.00 0.00 176.35 175.05 1a9v s GLU 38 N -0.40 -0.05 0.02 1.70 4.04 -0.16 -0.69 118.70 123.16 1a9v s GLU 38 Ca 0.06 0.30 -0.05 0.00 0.04 0.00 0.00 54.97 55.32 1a9v s GLU 38 Cb -0.12 -0.36 -0.01 0.00 0.02 0.00 0.00 34.13 33.66 1a9v s GLU 38 CO 0.02 -0.25 0.09 0.00 -1.84 0.00 0.00 175.26 173.29 1a9v s ALA 39 N 1.62 -0.13 -0.06 -0.84 0.00 -0.47 -0.11 121.76 121.77 1a9v s ALA 39 Ca -0.02 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1a9v s ALA 39 Cb -0.12 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1a9v s ALA 39 CO -0.03 -0.26 -0.07 0.14 0.00 0.00 0.00 175.76 175.54 1a9v s VAL 40 N -2.04 3.66 -0.28 0.00 -7.23 0.04 -0.51 120.40 114.04 1a9v s VAL 40 Ca -0.10 -0.52 -0.13 0.00 -1.81 0.00 0.00 61.98 59.43 1a9v s VAL 40 Cb -0.05 -2.50 0.10 0.00 0.56 0.00 0.00 36.38 34.50 1a9v s VAL 40 CO -0.02 0.58 0.65 0.72 -0.31 0.00 0.00 175.10 176.72 1a9v s PHE 41 N -0.82 -1.17 0.70 2.82 -0.12 -0.04 -2.12 117.98 117.23 1a9v s PHE 41 Ca 0.13 2.17 -0.13 0.00 -0.05 0.00 0.00 56.93 59.05 1a9v s PHE 41 Cb -0.11 0.69 0.02 0.00 -0.63 0.00 0.00 43.02 42.99 1a9v s PHE 41 CO 0.02 -0.58 1.10 -2.00 -0.05 0.00 0.00 175.22 173.70 1a9v s GLU 42 N 2.24 2.67 0.08 1.99 2.12 -1.25 -1.21 118.70 125.34 1a9v s GLU 42 Ca -0.08 1.26 -0.16 0.00 0.36 0.00 0.00 54.97 56.36 1a9v s GLU 42 Cb -0.09 -1.94 -0.06 0.00 0.26 0.00 0.00 34.13 32.30 1a9v s GLU 42 CO -0.19 -1.34 0.51 0.00 -0.54 0.00 0.00 175.26 173.70 1a9v s ALA 43 N -2.60 3.62 -0.44 6.30 0.00 -0.33 -4.83 121.76 123.49 1a9v s ALA 43 Ca 0.64 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.55 1a9v s ALA 43 Cb -0.18 -2.51 0.42 0.00 0.00 0.00 0.00 23.12 20.84 1a9v s ALA 43 CO 0.47 0.45 1.09 0.27 0.00 0.00 0.00 175.76 178.04 1a9v n ASN 44 N 1.39 4.46 0.00 0.00 2.04 -1.26 -0.48 115.26 121.40 1a9v n ASN 44 Ca -0.09 -3.64 0.00 0.00 -0.44 0.00 0.00 54.58 50.40 1a9v n ASN 44 Cb 0.52 -0.47 0.00 0.00 -2.53 0.00 0.00 39.78 37.30 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 -0.44 -0.24 -4.18 -3.83 10.64 -1.26 -4.98 117.38 113.09 1a9v n GLN 45 Ca 0.37 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.26 1a9v n GLN 45 Cb 0.66 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.96 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 4.86 -0.17 2.61 2.47 -1.26 0.17 114.94 119.62 1a9v s ASN 46 Ca 0.00 -0.33 -0.32 0.00 0.42 0.00 0.00 52.86 52.63 1a9v s ASN 46 Cb 0.00 -1.08 0.14 0.00 -1.45 0.00 0.00 41.25 38.86 1a9v s ASN 46 CO 0.00 0.11 1.14 0.28 -3.72 0.00 0.00 177.10 174.91 1a9v s THR 47 N -1.62 0.00 -0.42 -5.21 -1.32 0.29 -4.77 115.64 102.59 1a9v s THR 47 Ca 0.27 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.80 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 0.19 0.00 1.08 0.29 -2.21 0.00 0.00 174.62 173.97 1a9v n LYS 48 N 0.13 2.71 -3.58 7.08 4.01 -1.26 0.68 118.16 127.92 1a9v n LYS 48 Ca -0.03 -1.67 -0.12 0.00 -0.51 0.00 0.00 58.31 55.98 1a9v n LYS 48 Cb 0.59 -1.12 -0.06 0.00 -0.51 0.00 0.00 35.03 33.93 1a9v n LYS 48 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1a9v s THR 49 N -0.96 0.00 -0.28 -0.18 -4.23 -1.26 -4.74 115.64 104.00 1a9v s THR 49 Ca 0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1a9v s THR 49 Cb 0.05 -1.00 0.14 0.00 1.34 0.00 0.00 72.50 73.03 1a9v s THR 49 CO 0.07 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 174.47 1a9v s ALA 50 N -0.79 -0.66 1.06 3.99 0.00 -1.26 -1.21 121.76 122.88 1a9v s ALA 50 Ca -0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.84 1a9v s ALA 50 Cb -0.01 -1.79 0.13 0.00 0.00 0.00 0.00 23.12 21.44 1a9v s ALA 50 CO 0.02 -1.62 0.58 1.63 0.00 0.00 0.00 175.76 176.37 1a9v n LYS 51 N 5.33 -1.30 -3.85 0.00 4.76 0.92 -3.77 118.16 120.24 1a9v n LYS 51 Ca -0.02 -0.91 -0.12 0.00 -2.87 0.00 0.00 58.31 54.39 1a9v n LYS 51 Cb 0.48 -0.72 -0.14 0.00 -1.84 0.00 0.00 35.03 32.81 1a9v n LYS 51 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1a9v s ILE 52 N -2.18 -0.01 -0.17 -0.18 1.01 -1.04 -1.81 121.20 116.83 1a9v s ILE 52 Ca 0.35 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.97 1a9v s ILE 52 Cb -0.02 -0.04 0.06 0.00 0.01 0.00 0.00 42.46 42.47 1a9v s ILE 52 CO 0.26 0.01 0.10 -0.70 0.00 0.00 0.00 174.94 174.60 1a9v s GLU 53 N 0.11 0.07 -0.16 2.79 2.56 0.06 -4.78 118.70 119.36 1a9v s GLU 53 Ca -0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 54.97 54.70 1a9v s GLU 53 Cb -0.01 -1.77 -0.03 0.00 2.00 0.00 0.00 34.13 34.31 1a9v s GLU 53 CO -0.00 -0.67 0.59 -1.50 -0.56 0.00 0.00 175.26 173.12 1a9v s ILE 54 N 2.15 5.08 -0.31 -3.70 2.07 -1.26 -1.43 121.20 123.80 1a9v s ILE 54 Ca 0.02 1.14 0.03 0.00 -1.41 0.00 0.00 60.65 60.43 1a9v s ILE 54 Cb -0.16 -3.91 0.09 0.00 0.13 0.00 0.00 42.46 38.60 1a9v s ILE 54 CO -0.09 0.19 0.01 -0.75 -1.91 0.00 0.00 174.94 172.39 1a9v s LYS 55 N 1.40 1.59 -0.18 3.50 2.20 -0.17 -4.71 119.74 123.37 1a9v s LYS 55 Ca 0.29 -1.60 -0.04 0.00 -0.36 0.00 0.00 55.97 54.26 1a9v s LYS 55 Cb -0.16 -2.96 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1a9v s LYS 55 CO 0.11 -0.83 -0.04 0.00 -0.36 0.00 0.00 175.35 174.24 1a9v s ALA 56 N 1.06 2.93 -0.51 3.13 0.00 -1.20 -1.22 121.76 125.95 1a9v s ALA 56 Ca 0.05 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 1a9v s ALA 56 Cb -0.19 -1.60 0.12 0.00 0.00 0.00 0.00 23.12 21.44 1a9v s ALA 56 CO -0.09 -0.01 0.45 -1.54 0.00 0.00 0.00 175.76 174.58 1a9v s SER 57 N 0.75 6.08 -0.31 0.00 1.04 -0.48 -0.25 113.70 120.53 1a9v s SER 57 Ca -0.02 -1.74 -0.05 0.00 0.48 0.00 0.00 55.95 54.63 1a9v s SER 57 Cb -0.15 -2.16 0.03 0.00 0.10 0.00 0.00 66.02 63.85 1a9v s SER 57 CO 0.02 -0.79 0.05 0.27 0.98 0.00 0.00 173.24 173.77 1a9v s ILE 58 N 1.56 3.51 -0.60 -1.02 -5.25 -1.25 -0.90 121.20 117.24 1a9v s ILE 58 Ca 0.04 -1.08 -0.14 0.00 -0.99 0.00 0.00 60.65 58.47 1a9v s ILE 58 Cb -0.28 -2.92 0.02 0.00 2.95 0.00 0.00 42.46 42.22 1a9v s ILE 58 CO 0.03 -0.05 0.35 0.47 -1.79 0.00 0.00 174.94 173.95 1a9v n ASP 59 N 4.76 -2.29 0.00 4.36 8.00 1.02 0.24 116.55 132.64 1a9v n ASP 59 Ca -0.14 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1a9v n ASP 59 Cb 0.45 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 1a9v n ASP 59 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a9v n GLY 60 N -1.45 2.31 2.75 0.44 0.00 -1.26 -4.84 105.19 103.14 1a9v n GLY 60 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 6.30 -4.57 0.99 0.00 0.67 -5.01 117.00 115.38 1a9v n LEU 61 Ca 0.00 -5.32 -0.49 0.00 0.00 0.00 0.00 56.01 50.20 1a9v n LEU 61 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 43.42 42.47 1a9v n LEU 61 CO 0.00 2.09 1.68 -1.84 0.00 0.00 0.00 177.39 179.32 1a9v n GLU 62 N -0.28 1.63 -2.61 1.96 0.28 -1.25 -3.83 120.64 116.55 1a9v n GLU 62 Ca 0.43 0.52 -0.40 0.00 -0.16 0.00 0.00 57.16 57.56 1a9v n GLU 62 Cb 0.34 -2.65 -0.05 0.00 1.43 0.00 0.00 31.44 30.51 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 6.18 3.77 -0.39 3.84 -7.23 0.65 -4.87 120.40 122.35 1a9v s VAL 63 Ca 1.01 1.75 0.02 0.00 -1.81 0.00 0.00 61.98 62.96 1a9v s VAL 63 Cb -0.71 -4.10 0.15 0.00 0.56 0.00 0.00 36.38 32.28 1a9v s VAL 63 CO 0.48 0.39 0.28 -0.62 -0.31 0.00 0.00 175.10 175.32 1a9v s ASP 64 N -1.07 2.27 -0.04 4.85 2.15 -1.26 -3.23 116.67 120.34 1a9v s ASP 64 Ca 0.44 -2.65 -0.30 0.00 0.43 0.00 0.00 52.55 50.48 1a9v s ASP 64 Cb -0.28 -0.45 0.07 0.00 -0.30 0.00 0.00 42.92 41.95 1a9v s ASP 64 CO 0.36 -0.24 0.65 0.54 -0.17 0.00 0.00 175.17 176.31 1a9v s VAL 65 N 0.53 0.00 0.25 1.11 0.11 -1.26 -5.14 120.40 116.00 1a9v s VAL 65 Ca 0.25 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 1a9v s VAL 65 Cb -0.10 -0.98 -0.09 0.00 -1.53 0.00 0.00 36.38 33.69 1a9v s VAL 65 CO -0.09 -0.02 1.15 -2.16 -3.33 0.00 0.00 175.10 170.65 1a9v s PRO 66 N -1.29 4.56 -0.00 1.54 0.04 -1.26 -4.91 135.00 133.68 1a9v s PRO 66 Ca -0.11 1.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.77 1a9v s PRO 66 Cb -0.00 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 1a9v s PRO 66 CO 0.09 0.06 -0.05 0.41 0.04 0.00 0.00 177.00 177.56 1a9v n GLY 67 N 1.55 -0.07 0.00 0.56 0.00 -1.26 -5.12 105.19 100.85 1a9v n GLY 67 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.32 0.00 -3.57 -0.61 0.13 -1.26 -4.91 119.36 105.81 1a9v n ILE 68 Ca -0.05 0.00 -0.40 0.00 -1.10 0.00 0.00 62.75 61.20 1a9v n ILE 68 Cb 0.38 -0.08 -0.07 0.00 -0.84 0.00 0.00 39.64 39.04 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 0.73 5.84 0.18 9.51 -1.08 -1.26 -4.92 116.67 125.67 1a9v s ASP 69 Ca 0.00 -2.90 0.06 0.00 -0.52 0.00 0.00 52.55 49.19 1a9v s ASP 69 Cb 0.00 -1.98 0.31 0.00 -1.46 0.00 0.00 42.92 39.78 1a9v s ASP 69 CO 0.00 -0.42 0.98 -0.81 0.52 0.00 0.00 175.17 175.44 1a9v n PRO 70 N 3.52 0.04 -3.68 4.34 -0.04 -1.26 -3.83 135.00 134.09 1a9v n PRO 70 Ca 0.11 0.41 -0.36 0.00 -0.04 0.00 0.00 63.50 63.62 1a9v n PRO 70 Cb 0.41 -1.98 -0.08 0.00 -0.04 0.00 0.00 33.50 31.81 1a9v n PRO 70 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1a9v s ASN 71 N -2.87 5.59 0.00 3.54 4.22 -1.25 -2.49 114.94 121.68 1a9v s ASN 71 Ca -0.01 -3.27 0.00 0.00 -2.14 0.00 0.00 52.86 47.44 1a9v s ASN 71 Cb 0.02 -1.88 0.00 0.00 1.28 0.00 0.00 41.25 40.67 1a9v s ASN 71 CO 0.05 -0.28 0.82 0.00 -2.04 0.00 0.00 177.10 175.65 1a9v n ALA 72 N 2.93 2.41 0.23 3.54 0.00 -1.25 -3.22 120.51 125.16 1a9v n ALA 72 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1a9v n ALA 72 Cb 0.38 -1.00 0.30 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.12 0.78 -0.01 0.00 8.25 -1.20 -3.18 115.22 116.74 1a9v n HIS 74 Ca 0.03 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1a9v n HIS 74 Cb 0.49 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 0.26 0.00 -3.59 4.41 4.02 -0.02 -5.07 117.16 117.16 1a9v n TYR 75 Ca 0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.98 1a9v n TYR 75 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.85 1a9v n TYR 75 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1a9v s MET 76 N -0.34 0.45 0.00 -0.72 0.23 -0.56 -5.06 119.30 113.30 1a9v s MET 76 Ca 0.00 0.88 0.00 0.00 -1.03 0.00 0.00 55.69 55.54 1a9v s MET 76 Cb 0.00 0.25 0.00 0.00 -1.53 0.00 0.00 34.83 33.55 1a9v s MET 76 CO 0.00 -0.11 0.00 0.36 -2.03 0.00 0.00 175.02 173.24 1a9v n LYS 77 N 4.29 0.00 -4.60 3.16 2.85 -1.26 -4.64 118.16 117.96 1a9v n LYS 77 Ca -0.16 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 56.76 1a9v n LYS 77 Cb 0.56 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.83 1a9v n LYS 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1a9v s PRO 79 N -0.73 1.50 -0.19 0.00 0.04 -1.26 -5.10 135.00 129.26 1a9v s PRO 79 Ca 0.11 0.25 -0.13 0.00 0.04 0.00 0.00 61.00 61.27 1a9v s PRO 79 Cb -0.11 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1a9v s PRO 79 CO 0.02 -1.94 0.27 -0.51 0.04 0.00 0.00 177.00 174.88 1a9v s LEU 80 N -5.85 4.20 -0.10 -3.56 1.02 0.21 -4.94 118.68 109.67 1a9v s LEU 80 Ca 0.63 0.41 -0.02 0.00 0.02 0.00 0.00 54.13 55.17 1a9v s LEU 80 Cb -0.13 -2.32 -0.03 0.00 0.02 0.00 0.00 46.19 43.72 1a9v s LEU 80 CO 0.52 0.07 0.00 -0.69 0.02 0.00 0.00 176.35 176.27 1a9v s VAL 81 N 0.71 4.30 -0.40 -1.59 1.01 -1.26 -0.55 120.40 122.61 1a9v s VAL 81 Ca 0.14 -0.25 -0.43 0.00 0.00 0.00 0.00 61.98 61.45 1a9v s VAL 81 Cb -0.13 -2.82 -0.17 0.00 0.00 0.00 0.00 36.38 33.26 1a9v s VAL 81 CO 0.04 0.59 1.81 1.17 0.00 0.00 0.00 175.10 178.71 1a9v n LYS 82 N 2.32 0.55 0.00 2.72 0.00 0.44 -1.38 118.16 122.82 1a9v n LYS 82 Ca -0.18 0.19 0.00 0.00 0.00 0.00 0.00 58.31 58.32 1a9v n LYS 82 Cb 0.53 -1.83 0.00 0.00 0.00 0.00 0.00 35.03 33.73 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 4.97 2.11 3.70 3.14 0.00 0.37 -4.84 105.19 114.63 1a9v n GLY 83 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.21 4.34 0.44 1.61 -0.21 -0.48 -4.55 119.66 120.60 1a9v s GLN 84 Ca 0.00 1.93 -0.25 0.00 0.02 0.00 0.00 55.36 57.06 1a9v s GLN 84 Cb 0.00 -3.42 -0.08 0.00 1.00 0.00 0.00 33.01 30.51 1a9v s GLN 84 CO 0.00 -0.45 1.31 1.14 -2.12 0.00 0.00 175.29 175.17 1a9v s GLN 85 N 1.68 3.77 -0.07 2.91 -2.07 -1.26 -1.19 119.66 123.43 1a9v s GLN 85 Ca 0.62 2.16 -0.03 0.00 -1.82 0.00 0.00 55.36 56.29 1a9v s GLN 85 Cb -0.32 -2.62 0.04 0.00 -1.09 0.00 0.00 33.01 29.02 1a9v s GLN 85 CO 0.28 -0.66 0.15 0.71 -1.32 0.00 0.00 175.29 174.45 1a9v s TYR 86 N -1.30 -0.16 -0.09 9.60 2.02 -0.35 -4.86 117.35 122.22 1a9v s TYR 86 Ca 0.61 0.51 0.03 0.00 -0.37 0.00 0.00 57.07 57.85 1a9v s TYR 86 Cb -0.38 -0.15 -0.01 0.00 -0.40 0.00 0.00 41.96 41.02 1a9v s TYR 86 CO 0.48 -0.20 -0.20 0.16 -1.57 0.00 0.00 175.55 174.22 1a9v s ASP 87 N 1.54 3.45 0.20 2.29 1.47 -1.26 -0.86 116.67 123.51 1a9v s ASP 87 Ca -0.05 -0.44 0.05 0.00 1.18 0.00 0.00 52.55 53.29 1a9v s ASP 87 Cb -0.12 -1.21 -0.03 0.00 -0.34 0.00 0.00 42.92 41.22 1a9v s ASP 87 CO -0.06 0.21 0.26 -0.51 0.68 0.00 0.00 175.17 175.75 1a9v s ILE 88 N 0.05 4.92 -0.08 2.11 2.07 0.34 -4.92 121.20 125.68 1a9v s ILE 88 Ca -0.08 -1.03 -0.11 0.00 -1.41 0.00 0.00 60.65 58.02 1a9v s ILE 88 Cb -0.15 -3.60 0.02 0.00 0.13 0.00 0.00 42.46 38.86 1a9v s ILE 88 CO 0.05 -0.23 0.28 -0.75 -1.91 0.00 0.00 174.94 172.38 1a9v s LYS 89 N -3.58 0.41 -0.25 3.50 2.20 -1.26 -1.37 119.74 119.38 1a9v s LYS 89 Ca 0.33 0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 56.15 1a9v s LYS 89 Cb -0.09 0.19 0.14 0.00 -1.51 0.00 0.00 37.83 36.55 1a9v s LYS 89 CO 0.27 -0.07 0.39 -0.47 -0.36 0.00 0.00 175.35 175.10 1a9v s TYR 90 N -0.24 -0.86 -0.13 4.03 6.14 0.13 -4.78 117.35 121.64 1a9v s TYR 90 Ca -0.04 0.78 0.01 0.00 0.64 0.00 0.00 57.07 58.46 1a9v s TYR 90 Cb -0.03 0.00 0.02 0.00 0.42 0.00 0.00 41.96 42.37 1a9v s TYR 90 CO 0.01 -0.76 -0.14 -0.08 0.64 0.00 0.00 175.55 175.22 1a9v s THR 91 N 2.55 1.51 -0.26 4.34 -1.32 -1.24 -0.81 115.64 120.41 1a9v s THR 91 Ca 0.12 -0.62 -0.03 0.00 -1.21 0.00 0.00 61.69 59.96 1a9v s THR 91 Cb -0.15 -1.41 0.10 0.00 -1.51 0.00 0.00 72.50 69.54 1a9v s THR 91 CO -0.18 0.45 0.18 0.86 -2.21 0.00 0.00 174.62 173.71 1a9v s TRP 92 N 1.29 0.03 0.64 9.09 -0.00 -0.47 -4.82 118.94 124.69 1a9v s TRP 92 Ca 0.00 -0.48 -0.13 0.00 -0.00 0.00 0.00 56.10 55.49 1a9v s TRP 92 Cb -0.14 -0.69 -0.02 0.00 -0.00 0.00 0.00 33.47 32.62 1a9v s TRP 92 CO -0.07 -0.78 1.05 0.54 -0.00 0.00 0.00 176.95 177.70 1a9v s ASN 93 N 2.20 5.65 0.28 5.86 4.22 -1.26 -1.45 114.94 130.43 1a9v s ASN 93 Ca 0.08 1.71 -0.14 0.00 -2.14 0.00 0.00 52.86 52.37 1a9v s ASN 93 Cb -0.15 -2.51 0.01 0.00 1.28 0.00 0.00 41.25 39.87 1a9v s ASN 93 CO -0.29 -1.26 0.56 -0.69 -2.04 0.00 0.00 177.10 173.38 1a9v s VAL 94 N -2.74 0.00 0.83 3.54 1.01 0.16 -4.89 120.40 118.31 1a9v s VAL 94 Ca 0.61 -1.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.12 1a9v s VAL 94 Cb -0.15 -2.27 -0.14 0.00 0.00 0.00 0.00 36.38 33.82 1a9v s VAL 94 CO 0.45 0.00 -0.61 -0.81 0.00 0.00 0.00 175.10 174.13 1a9v n PRO 95 N -0.43 0.00 0.19 2.72 -0.04 -1.26 -2.76 135.00 133.42 1a9v n PRO 95 Ca -0.02 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.52 1a9v n PRO 95 Cb 0.61 -0.94 0.14 0.00 -0.04 0.00 0.00 33.50 33.27 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 -0.72 0.00 -0.44 0.54 6.56 -1.89 0.13 116.57 120.74 1a9v h LYS 96 Ca -0.41 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 58.91 1a9v h LYS 96 Cb 1.25 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 32.51 1a9v h LYS 96 CO 0.26 0.18 -1.06 1.51 -2.06 0.00 0.00 179.45 178.27 1a9v n ILE 97 N -3.15 1.38 0.00 1.86 3.06 -1.26 -3.46 119.36 117.79 1a9v n ILE 97 Ca 0.03 -2.98 0.00 0.00 -2.50 0.00 0.00 62.75 57.30 1a9v n ILE 97 Cb 0.59 0.90 0.00 0.00 0.54 0.00 0.00 39.64 41.67 1a9v n ILE 97 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a9v n ALA 98 N -0.55 -0.25 -1.26 1.51 0.00 -1.26 -4.75 120.51 113.95 1a9v n ALA 98 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1a9v n ALA 98 Cb 0.85 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.41 1a9v n ALA 98 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a9v s PRO 99 N -1.89 1.86 -0.50 0.00 0.04 -1.26 -4.97 135.00 128.28 1a9v s PRO 99 Ca 0.00 0.99 -0.10 0.00 0.04 0.00 0.00 61.00 61.93 1a9v s PRO 99 Cb 0.00 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.80 1a9v s PRO 99 CO 0.00 -1.87 0.39 0.15 0.04 0.00 0.00 177.00 175.71 1a9v s LYS 100 N -4.93 2.60 -0.83 4.56 -0.14 -1.26 -4.98 119.74 114.76 1a9v s LYS 100 Ca 0.62 -1.82 -0.29 0.00 -1.36 0.00 0.00 55.97 53.12 1a9v s LYS 100 Cb -0.17 -4.00 -0.17 0.00 -1.68 0.00 0.00 37.83 31.81 1a9v s LYS 100 CO 0.56 -1.22 2.60 -1.13 -0.76 0.00 0.00 175.35 175.40 1a9v n SER 101 N 4.87 0.96 0.03 2.83 3.41 -1.26 -3.44 113.62 121.02 1a9v n SER 101 Ca -0.07 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1a9v n SER 101 Cb 0.41 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 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 8.64 0.00 -2.80 4.33 1.02 -1.26 -4.65 120.64 125.92 1a9v n GLU 102 Ca 0.56 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.63 1a9v n GLU 102 Cb 0.21 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.65 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 -2.58 -2.92 -3.85 1.62 4.05 -1.22 -4.98 115.26 105.38 1a9v n ASN 103 Ca 0.00 -3.07 -0.12 0.00 0.45 0.00 0.00 54.58 51.84 1a9v n ASN 103 Cb 0.00 1.60 -0.13 0.00 1.23 0.00 0.00 39.78 42.48 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 0.66 0.01 -0.09 3.44 1.01 -1.25 0.34 120.40 124.52 1a9v s VAL 104 Ca 0.31 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 1a9v s VAL 104 Cb 0.12 -0.14 0.04 0.00 0.00 0.00 0.00 36.38 36.40 1a9v s VAL 104 CO -0.15 -0.05 0.21 -0.69 0.00 0.00 0.00 175.10 174.42 1a9v s VAL 105 N -0.12 -0.04 -0.08 2.92 1.01 -0.08 -4.77 120.40 119.24 1a9v s VAL 105 Ca -0.02 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1a9v s VAL 105 Cb -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1a9v s VAL 105 CO 0.00 0.06 0.07 0.54 0.00 0.00 0.00 175.10 175.77 1a9v s VAL 106 N 1.10 4.83 -0.20 2.92 0.11 -0.24 -1.39 120.40 127.54 1a9v s VAL 106 Ca -0.08 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1a9v s VAL 106 Cb -0.10 -3.09 0.06 0.00 -1.53 0.00 0.00 36.38 31.72 1a9v s VAL 106 CO -0.07 0.57 0.01 -0.89 -3.33 0.00 0.00 175.10 171.39 1a9v s THR 107 N -0.99 0.76 -0.00 5.04 2.01 -0.36 0.06 115.64 122.16 1a9v s THR 107 Ca 0.16 -0.67 0.06 0.00 0.31 0.00 0.00 61.69 61.54 1a9v s THR 107 Cb -0.12 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 1a9v s THR 107 CO 0.05 -0.15 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.95 1a9v s VAL 108 N 1.76 1.48 0.06 3.82 1.01 -0.61 -1.00 120.40 126.91 1a9v s VAL 108 Ca -0.02 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1a9v s VAL 108 Cb -0.17 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1a9v s VAL 108 CO -0.07 0.37 -0.14 -0.75 0.00 0.00 0.00 175.10 174.51 1a9v s LYS 109 N -0.56 0.84 -0.21 2.72 2.36 -0.52 -1.10 119.74 123.27 1a9v s LYS 109 Ca 0.07 -0.86 -0.14 0.00 -2.55 0.00 0.00 55.97 52.49 1a9v s LYS 109 Cb -0.07 -0.84 -0.04 0.00 -1.05 0.00 0.00 37.83 35.83 1a9v s LYS 109 CO -0.00 0.19 0.31 0.08 1.55 0.00 0.00 175.35 177.48 1a9v s VAL 110 N -1.10 5.26 -0.24 4.02 1.01 -0.13 -0.76 120.40 128.45 1a9v s VAL 110 Ca -0.01 0.52 -0.08 0.00 0.00 0.00 0.00 61.98 62.42 1a9v s VAL 110 Cb -0.09 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1a9v s VAL 110 CO 0.02 0.29 0.08 0.00 0.00 0.00 0.00 175.10 175.48 1a9v s MET 111 N 1.21 3.71 0.00 2.72 0.00 -0.75 0.11 119.30 126.31 1a9v s MET 111 Ca 0.15 -0.45 0.00 0.00 0.00 0.00 0.00 55.69 55.39 1a9v s MET 111 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 34.83 31.35 1a9v s MET 111 CO 0.07 -0.13 0.00 0.41 0.00 0.00 0.00 175.02 175.36 1a9v n GLY 112 N 4.77 0.90 0.00 3.16 0.00 0.51 -0.05 105.19 114.47 1a9v n GLY 112 Ca -0.16 -1.25 0.13 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 0.00 1.61 5.75 -0.35 -3.03 116.55 120.52 1a9v n ASP 113 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 1a9v n ASP 113 Cb 0.00 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 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 -1.29 0.25 -0.85 -1.12 5.68 -1.26 -4.95 116.55 113.01 1a9v n ASP 114 Ca 0.13 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.80 1a9v n ASP 114 Cb 0.22 0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 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 0.28 -1.02 0.00 6.12 0.00 -1.17 -5.11 105.19 104.30 1a9v n GLY 115 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.12 0.00 0.19 1.61 3.14 -1.26 -4.71 118.33 117.18 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 -3.45 -3.64 6.55 -0.00 0.30 -0.36 117.00 116.40 1a9v n LEU 117 Ca 0.00 0.78 -0.04 0.00 -0.00 0.00 0.00 56.01 56.75 1a9v n LEU 117 Cb 0.00 3.29 -0.07 0.00 -0.00 0.00 0.00 43.42 46.65 1a9v n LEU 117 CO 0.00 0.20 0.65 0.00 -0.00 0.00 0.00 177.39 178.24 1a9v s ALA 118 N -2.00 -2.17 -0.01 1.96 0.00 -0.91 -4.82 121.76 113.81 1a9v s ALA 118 Ca 0.00 2.17 0.02 0.00 0.00 0.00 0.00 51.96 54.15 1a9v s ALA 118 Cb 0.00 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 1a9v s ALA 118 CO 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 175.76 175.36 1a9v s ALA 120 N 0.00 -0.30 -0.11 0.00 0.00 -0.26 -2.25 121.76 118.84 1a9v s ALA 120 Ca 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 1a9v s ALA 120 Cb -0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1a9v s ALA 120 CO -0.00 -0.10 -0.08 -1.50 0.00 0.00 0.00 175.76 174.08 1a9v s ILE 121 N 0.55 3.56 0.28 0.00 -1.16 0.33 -1.57 121.20 123.19 1a9v s ILE 121 Ca -0.04 -0.50 0.03 0.00 -0.51 0.00 0.00 60.65 59.63 1a9v s ILE 121 Cb -0.06 -2.49 -0.01 0.00 0.61 0.00 0.00 42.46 40.51 1a9v s ILE 121 CO -0.03 0.55 0.11 0.00 -2.81 0.00 0.00 174.94 172.77 1a9v n ALA 122 N 2.91 0.41 -0.02 1.50 0.00 0.11 -2.08 120.51 123.34 1a9v n ALA 122 Ca -0.18 -1.42 0.05 0.00 0.00 0.00 0.00 53.44 51.89 1a9v n ALA 122 Cb 0.53 0.97 -0.11 0.00 0.00 0.00 0.00 19.45 20.84 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 -0.61 0.18 0.00 0.00 -2.24 -1.26 -1.08 114.28 109.27 1a9v n THR 123 Ca -0.03 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1a9v n THR 123 Cb 0.42 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.11 0.00 -4.60 4.78 8.25 -1.26 -4.67 115.22 115.60 1a9v n HIS 124 Ca -0.07 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.12 1a9v n HIS 124 Cb 0.50 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.47 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 -0.45 2.08 -0.46 -1.41 0.00 -1.26 -4.36 121.76 115.90 1a9v s ALA 125 Ca 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.72 1a9v s ALA 125 Cb 0.00 -0.38 0.15 0.00 0.00 0.00 0.00 23.12 22.89 1a9v s ALA 125 CO 0.00 0.47 0.30 0.15 0.00 0.00 0.00 175.76 176.68 1a9v s LYS 126 N -1.55 1.24 -0.26 0.00 -0.14 0.11 -4.89 119.74 114.25 1a9v s LYS 126 Ca 0.10 -2.11 -0.20 0.00 -1.36 0.00 0.00 55.97 52.40 1a9v s LYS 126 Cb -0.10 -2.09 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 1a9v s LYS 126 CO 0.03 -1.24 0.61 -1.50 -0.76 0.00 0.00 175.35 172.49 1a9v s ILE 127 N 0.14 4.99 -0.16 2.17 2.07 -1.26 -4.40 121.20 124.75 1a9v s ILE 127 Ca 0.23 1.04 -0.30 0.00 -1.41 0.00 0.00 60.65 60.20 1a9v s ILE 127 Cb -0.14 -3.92 0.13 0.00 0.13 0.00 0.00 42.46 38.66 1a9v s ILE 127 CO -0.07 0.01 1.02 -0.60 -1.91 0.00 0.00 174.94 173.39 1a9v s ARG 128 N 2.48 0.57 0.00 3.50 6.06 -1.26 -4.64 118.95 125.66 1a9v s ARG 128 Ca 0.25 0.10 0.00 0.00 -2.50 0.00 0.00 55.73 53.58 1a9v s ARG 128 Cb -0.15 0.27 0.00 0.00 0.06 0.00 0.00 34.95 35.12 1a9v s ARG 128 CO 0.09 -0.18 0.00 -0.25 -2.50 0.00 0.00 175.30 172.46