#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9v n GLN 2 N 0.00 -3.10 -4.13 -1.46 3.00 -1.26 -4.81 117.38 105.62 1a9v n GLN 2 Ca 0.00 2.43 -0.14 0.00 -0.01 0.00 0.00 57.00 59.28 1a9v n GLN 2 Cb 0.00 -3.70 -0.06 0.00 0.00 0.00 0.00 30.24 26.48 1a9v n GLN 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1a9v s VAL 3 N -3.79 0.00 0.36 5.09 -7.23 -1.25 -3.68 120.40 109.90 1a9v s VAL 3 Ca 0.00 -1.72 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 1a9v s VAL 3 Cb 0.00 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 1a9v s VAL 3 CO 0.00 0.00 0.88 -0.62 -0.31 0.00 0.00 175.10 175.05 1a9v s ASP 4 N -3.20 7.01 0.00 4.85 -1.08 -1.07 -4.70 116.67 118.49 1a9v s ASP 4 Ca 0.32 1.61 0.00 0.00 -0.52 0.00 0.00 52.55 53.96 1a9v s ASP 4 Cb 0.02 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 1a9v s ASP 4 CO 0.17 -0.22 0.00 0.55 0.52 0.00 0.00 175.17 176.19 1a9v n VAL 5 N -0.17 0.00 -3.63 1.11 3.14 -1.26 -4.75 118.33 112.77 1a9v n VAL 5 Ca 0.04 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.27 1a9v n VAL 5 Cb 0.53 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.23 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 -1.40 0.84 0.27 1.45 1.02 -0.66 -4.98 119.74 116.28 1a9v s LYS 6 Ca 0.00 0.35 -0.16 0.00 0.02 0.00 0.00 55.97 56.17 1a9v s LYS 6 Cb 0.00 0.40 -0.08 0.00 -0.52 0.00 0.00 37.83 37.62 1a9v s LYS 6 CO 0.00 -0.21 0.71 0.34 -0.92 0.00 0.00 175.35 175.27 1a9v s ASP 7 N -0.71 6.87 -0.01 2.83 2.15 -1.26 -0.47 116.67 126.07 1a9v s ASP 7 Ca -0.08 1.30 0.01 0.00 0.43 0.00 0.00 52.55 54.21 1a9v s ASP 7 Cb -0.03 -2.38 0.02 0.00 -0.30 0.00 0.00 42.92 40.24 1a9v s ASP 7 CO 0.06 -0.09 0.79 0.00 -0.17 0.00 0.00 175.17 175.75 1a9v n ALA 9 N -0.15 1.56 -2.77 0.00 0.00 -1.26 -4.94 120.51 112.95 1a9v n ALA 9 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.36 1a9v n ALA 9 Cb 0.57 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.56 -2.50 -2.28 0.00 5.15 -1.26 -4.94 115.26 108.85 1a9v n ASN 10 Ca 0.00 -3.41 -0.03 0.00 -0.60 0.00 0.00 54.58 50.54 1a9v n ASN 10 Cb 0.00 1.71 -0.01 0.00 -0.53 0.00 0.00 39.78 40.95 1a9v n ASN 10 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1a9v n HIS 11 N 1.19 -1.57 0.70 1.20 -0.00 -1.26 -4.67 115.22 110.81 1a9v n HIS 11 Ca 0.09 0.05 0.02 0.00 -0.00 0.00 0.00 57.72 57.88 1a9v n HIS 11 Cb 0.65 -0.87 0.10 0.00 -0.00 0.00 0.00 29.99 29.86 1a9v n HIS 11 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1a9v n GLU 12 N -2.15 1.86 -2.46 1.57 2.13 -1.26 -4.86 120.64 115.47 1a9v n GLU 12 Ca 0.01 -0.75 -0.05 0.00 0.66 0.00 0.00 57.16 57.03 1a9v n GLU 12 Cb 0.40 -1.59 -0.01 0.00 0.27 0.00 0.00 31.44 30.51 1a9v n GLU 12 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1a9v n ILE 13 N 0.13 0.00 0.00 6.31 5.41 -1.26 -4.14 119.36 125.81 1a9v n ILE 13 Ca 0.07 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1a9v n ILE 13 Cb 0.42 0.10 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 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 -0.21 0.00 -3.78 0.38 2.85 -0.88 -4.78 118.16 111.74 1a9v n LYS 14 Ca -0.03 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.10 1a9v n LYS 14 Cb 0.11 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.35 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 -1.74 0.08 -0.24 -1.58 2.47 -0.93 -4.98 119.74 112.82 1a9v s LYS 15 Ca 0.00 0.27 -0.01 0.00 -1.56 0.00 0.00 55.97 54.66 1a9v s LYS 15 Cb 0.00 -0.12 0.07 0.00 -1.46 0.00 0.00 37.83 36.33 1a9v s LYS 15 CO 0.00 -0.12 0.03 0.14 0.16 0.00 0.00 175.35 175.57 1a9v s VAL 16 N 0.80 0.86 -0.27 4.02 -7.23 -1.26 -0.76 120.40 116.55 1a9v s VAL 16 Ca -0.06 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 59.04 1a9v s VAL 16 Cb -0.08 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 1a9v s VAL 16 CO -0.04 -0.32 0.24 -0.22 -0.31 0.00 0.00 175.10 174.46 1a9v s LEU 17 N 1.68 4.04 -0.01 1.32 0.20 0.35 -4.09 118.68 122.17 1a9v s LEU 17 Ca 0.01 0.09 -0.04 0.00 0.69 0.00 0.00 54.13 54.88 1a9v s LEU 17 Cb -0.18 -2.21 -0.00 0.00 -0.43 0.00 0.00 46.19 43.38 1a9v s LEU 17 CO -0.12 -0.08 0.08 -0.69 -0.29 0.00 0.00 176.35 175.25 1a9v s VAL 18 N 1.77 0.06 0.16 1.68 1.01 -1.26 -1.18 120.40 122.63 1a9v s VAL 18 Ca 0.09 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.29 1a9v s VAL 18 Cb -0.16 -0.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.87 1a9v s VAL 18 CO 0.10 -0.26 1.34 -2.16 0.00 0.00 0.00 175.10 174.11 1a9v s PRO 19 N -0.84 4.36 0.00 2.72 0.04 -1.26 -4.40 135.00 135.63 1a9v s PRO 19 Ca -0.09 2.05 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1a9v s PRO 19 Cb -0.06 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1a9v s PRO 19 CO 0.00 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1a9v n GLY 20 N 2.87 1.17 3.99 0.56 0.00 -1.26 -4.99 105.19 107.53 1a9v n GLY 20 Ca 0.08 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.43 0.00 0.00 0.00 1.44 -1.26 -4.66 115.22 108.31 1a9v n HIS 22 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1a9v n HIS 22 Cb 0.60 0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.72 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 -0.79 0.08 -1.39 0.00 -1.24 -3.90 105.19 97.95 1a9v n GLY 23 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.81 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 0.35 -3.93 1.61 7.64 -1.26 -2.59 113.62 115.43 1a9v n SER 24 Ca 0.00 0.62 -0.30 0.00 1.01 0.00 0.00 58.87 60.20 1a9v n SER 24 Cb 0.00 -0.68 0.25 0.00 -1.01 0.00 0.00 64.21 62.77 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 -3.24 -1.62 -0.18 1.43 2.02 -1.26 -5.00 118.70 110.85 1a9v s GLU 25 Ca 0.02 0.25 -0.04 0.00 0.02 0.00 0.00 54.97 55.22 1a9v s GLU 25 Cb 0.06 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.75 1a9v s GLU 25 CO 0.22 -4.04 -0.03 -1.25 0.02 0.00 0.00 175.26 170.18 1a9v s PRO 26 N -5.03 3.62 -0.26 0.39 0.05 -1.26 -4.75 135.00 127.75 1a9v s PRO 26 Ca 0.69 -0.54 0.02 0.00 0.05 0.00 0.00 61.00 61.22 1a9v s PRO 26 Cb -0.15 -2.97 0.07 0.00 0.05 0.00 0.00 34.50 31.50 1a9v s PRO 26 CO 0.59 0.13 -0.05 0.00 0.05 0.00 0.00 177.00 177.71 1a9v n ILE 28 N 4.54 1.59 -1.70 0.00 2.08 -1.26 -3.92 119.36 120.69 1a9v n ILE 28 Ca -0.10 -1.46 -0.63 0.00 0.56 0.00 0.00 62.75 61.12 1a9v n ILE 28 Cb 0.43 -2.24 -0.09 0.00 -0.75 0.00 0.00 39.64 36.99 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 6.58 0.07 0.00 1.39 3.06 -1.25 -4.90 119.36 124.30 1a9v n ILE 29 Ca 0.48 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.72 1a9v n ILE 29 Cb 0.42 -0.61 0.00 0.00 0.54 0.00 0.00 39.64 39.99 1a9v n ILE 29 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a9v n HIS 30 N 3.87 0.00 -4.42 9.51 1.44 -1.26 -4.97 115.22 119.39 1a9v n HIS 30 Ca 0.28 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.78 1a9v n HIS 30 Cb 0.02 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.02 1a9v n HIS 30 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1a9v s ARG 31 N 0.00 1.58 0.00 -1.40 0.52 -1.26 -5.04 118.95 113.35 1a9v s ARG 31 Ca 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 55.73 53.35 1a9v s ARG 31 Cb 0.00 -0.80 0.00 0.00 0.52 0.00 0.00 34.95 34.67 1a9v s ARG 31 CO 0.00 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1a9v n GLY 32 N -0.62 -2.68 3.02 -3.53 0.00 0.78 -4.96 105.19 97.20 1a9v n GLY 32 Ca -0.03 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.83 1.67 -0.01 1.61 -0.14 -0.46 -4.91 119.74 114.67 1a9v s LYS 33 Ca 0.00 -2.02 -0.00 0.00 -1.36 0.00 0.00 55.97 52.59 1a9v s LYS 33 Cb 0.00 -3.30 -0.04 0.00 -1.68 0.00 0.00 37.83 32.82 1a9v s LYS 33 CO 0.00 -0.99 0.06 -1.25 -0.76 0.00 0.00 175.35 172.41 1a9v s PRO 34 N 0.70 3.01 -0.53 -1.68 0.04 -1.26 0.41 135.00 135.68 1a9v s PRO 34 Ca 0.12 -0.50 0.02 0.00 0.04 0.00 0.00 61.00 60.68 1a9v s PRO 34 Cb -0.21 -2.82 0.14 0.00 0.04 0.00 0.00 34.50 31.65 1a9v s PRO 34 CO -0.06 0.65 0.29 -0.06 0.04 0.00 0.00 177.00 177.86 1a9v s PHE 35 N -1.14 3.29 -0.84 0.56 0.08 -0.30 -4.92 117.98 114.71 1a9v s PHE 35 Ca 0.21 -3.03 0.01 0.00 0.12 0.00 0.00 56.93 54.24 1a9v s PHE 35 Cb -0.12 -2.94 0.21 0.00 -0.57 0.00 0.00 43.02 39.60 1a9v s PHE 35 CO 0.12 -0.79 0.72 1.04 -0.10 0.00 0.00 175.22 176.22 1a9v n GLN 36 N 3.31 2.46 -4.63 0.44 3.00 -1.15 -1.58 117.38 119.23 1a9v n GLN 36 Ca 0.06 -4.50 -0.33 0.00 -0.01 0.00 0.00 57.00 52.22 1a9v n GLN 36 Cb 0.34 -2.37 -0.11 0.00 0.00 0.00 0.00 30.24 28.10 1a9v n GLN 36 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1a9v s LEU 37 N -1.51 3.05 -0.01 1.08 0.05 0.15 -4.04 118.68 117.44 1a9v s LEU 37 Ca 0.28 -0.12 -0.00 0.00 0.05 0.00 0.00 54.13 54.34 1a9v s LEU 37 Cb -0.05 -1.69 0.01 0.00 -2.05 0.00 0.00 46.19 42.41 1a9v s LEU 37 CO -0.13 0.33 0.02 -1.83 -0.55 0.00 0.00 176.35 174.19 1a9v s GLU 38 N -1.01 0.00 0.03 1.48 4.04 -0.33 -0.63 118.70 122.28 1a9v s GLU 38 Ca 0.14 0.06 -0.04 0.00 0.04 0.00 0.00 54.97 55.17 1a9v s GLU 38 Cb -0.11 -0.06 -0.01 0.00 0.02 0.00 0.00 34.13 33.97 1a9v s GLU 38 CO 0.03 -0.04 0.06 0.00 -1.84 0.00 0.00 175.26 173.47 1a9v s ALA 39 N 0.27 -0.01 -0.05 -0.84 0.00 -0.49 -0.50 121.76 120.14 1a9v s ALA 39 Ca -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1a9v s ALA 39 Cb -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1a9v s ALA 39 CO -0.01 -0.27 -0.05 0.14 0.00 0.00 0.00 175.76 175.57 1a9v s VAL 40 N -2.24 3.80 -0.25 0.00 -7.23 0.06 -0.54 120.40 113.99 1a9v s VAL 40 Ca -0.08 -0.53 -0.09 0.00 -1.81 0.00 0.00 61.98 59.46 1a9v s VAL 40 Cb -0.04 -2.59 0.10 0.00 0.56 0.00 0.00 36.38 34.42 1a9v s VAL 40 CO -0.03 0.53 0.55 0.72 -0.31 0.00 0.00 175.10 176.56 1a9v s PHE 41 N -0.89 -1.05 0.63 2.82 -0.12 0.02 -2.08 117.98 117.31 1a9v s PHE 41 Ca 0.14 1.92 -0.16 0.00 -0.05 0.00 0.00 56.93 58.78 1a9v s PHE 41 Cb -0.11 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 1a9v s PHE 41 CO 0.04 -0.56 1.12 -2.00 -0.05 0.00 0.00 175.22 173.77 1a9v s GLU 42 N 2.53 2.95 -0.03 1.99 2.12 -1.26 -1.39 118.70 125.61 1a9v s GLU 42 Ca -0.05 1.45 -0.21 0.00 0.36 0.00 0.00 54.97 56.53 1a9v s GLU 42 Cb -0.11 -1.97 -0.05 0.00 0.26 0.00 0.00 34.13 32.27 1a9v s GLU 42 CO -0.16 -1.14 0.59 0.00 -0.54 0.00 0.00 175.26 174.01 1a9v s ALA 43 N -2.18 3.46 -0.55 6.30 0.00 -0.40 -4.85 121.76 123.55 1a9v s ALA 43 Ca 0.69 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1a9v s ALA 43 Cb -0.21 -2.76 0.40 0.00 0.00 0.00 0.00 23.12 20.55 1a9v s ALA 43 CO 0.37 0.10 1.38 0.27 0.00 0.00 0.00 175.76 177.88 1a9v n ASN 44 N 3.05 5.55 0.00 0.00 0.23 -1.26 0.23 115.26 123.05 1a9v n ASN 44 Ca -0.06 -3.76 0.00 0.00 -0.53 0.00 0.00 54.58 50.23 1a9v n ASN 44 Cb 0.51 -0.63 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1a9v n ASN 44 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a9v n GLN 45 N -0.52 0.00 -4.19 -3.83 10.64 -1.26 -4.98 117.38 113.24 1a9v n GLN 45 Ca 0.44 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 55.34 1a9v n GLN 45 Cb 0.56 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.87 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 4.87 -0.19 2.61 2.47 -1.26 0.18 114.94 119.62 1a9v s ASN 46 Ca 0.00 -0.36 -0.30 0.00 0.42 0.00 0.00 52.86 52.62 1a9v s ASN 46 Cb 0.00 -1.07 0.15 0.00 -1.45 0.00 0.00 41.25 38.87 1a9v s ASN 46 CO 0.00 0.09 1.12 0.28 -3.72 0.00 0.00 177.10 174.87 1a9v s THR 47 N -1.73 0.00 -0.92 -5.21 -1.32 0.29 -4.77 115.64 101.98 1a9v s THR 47 Ca 0.28 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.86 1a9v s THR 47 Cb -0.09 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.18 1a9v s THR 47 CO 0.19 0.00 1.22 2.29 -2.21 0.00 0.00 174.62 176.12 1a9v n LYS 48 N 0.51 2.75 -3.60 7.08 2.85 -1.26 0.94 118.16 127.43 1a9v n LYS 48 Ca -0.06 -1.99 -0.10 0.00 -1.05 0.00 0.00 58.31 55.12 1a9v n LYS 48 Cb 0.58 -1.26 -0.06 0.00 -0.65 0.00 0.00 35.03 33.65 1a9v n LYS 48 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1a9v s THR 49 N -0.99 0.00 -0.32 0.58 -4.23 -1.26 -4.76 115.64 104.65 1a9v s THR 49 Ca 0.22 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.71 1a9v s THR 49 Cb 0.12 -1.00 0.12 0.00 1.34 0.00 0.00 72.50 73.08 1a9v s THR 49 CO 0.15 0.00 0.19 0.00 -0.54 0.00 0.00 174.62 174.42 1a9v s ALA 50 N -0.65 0.67 1.35 3.99 0.00 -1.26 -1.72 121.76 124.14 1a9v s ALA 50 Ca -0.00 -1.42 -0.22 0.00 0.00 0.00 0.00 51.96 50.32 1a9v s ALA 50 Cb -0.02 -1.54 0.33 0.00 0.00 0.00 0.00 23.12 21.89 1a9v s ALA 50 CO -0.01 -1.89 0.95 1.63 0.00 0.00 0.00 175.76 176.44 1a9v n LYS 51 N 4.63 -3.90 -3.85 0.00 4.76 0.15 -3.96 118.16 115.98 1a9v n LYS 51 Ca 0.04 -1.56 -0.12 0.00 -2.87 0.00 0.00 58.31 53.80 1a9v n LYS 51 Cb 0.40 -1.70 -0.13 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.51 0.00 -0.24 -0.18 1.01 -1.01 -1.92 121.20 116.35 1a9v s ILE 52 Ca 0.67 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 61.26 1a9v s ILE 52 Cb -0.09 -0.10 0.09 0.00 0.01 0.00 0.00 42.46 42.37 1a9v s ILE 52 CO 0.53 -0.01 0.14 -0.70 0.00 0.00 0.00 174.94 174.90 1a9v s GLU 53 N 0.00 0.15 -0.15 2.79 -6.30 0.23 -4.74 118.70 110.68 1a9v s GLU 53 Ca -0.00 -0.25 -0.18 0.00 -2.50 0.00 0.00 54.97 52.03 1a9v s GLU 53 Cb -0.01 -1.37 -0.04 0.00 0.00 0.00 0.00 34.13 32.71 1a9v s GLU 53 CO 0.00 -0.85 0.48 -1.50 0.02 0.00 0.00 175.26 173.41 1a9v s ILE 54 N 2.16 5.16 0.05 -3.70 -1.16 -1.26 -1.39 121.20 121.07 1a9v s ILE 54 Ca 0.06 0.92 0.05 0.00 -0.51 0.00 0.00 60.65 61.18 1a9v s ILE 54 Cb -0.16 -3.81 -0.02 0.00 0.61 0.00 0.00 42.46 39.07 1a9v s ILE 54 CO -0.24 0.27 -0.15 -0.75 -2.81 0.00 0.00 174.94 171.27 1a9v s LYS 55 N 1.02 0.93 -0.04 3.50 2.20 -0.07 -4.76 119.74 122.52 1a9v s LYS 55 Ca 0.24 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1a9v s LYS 55 Cb -0.15 -0.95 0.02 0.00 -1.51 0.00 0.00 37.83 35.24 1a9v s LYS 55 CO 0.10 0.23 -0.03 0.00 -0.36 0.00 0.00 175.35 175.28 1a9v s ALA 56 N -1.00 0.54 -0.62 3.13 0.00 -1.16 -1.04 121.76 121.61 1a9v s ALA 56 Ca 0.01 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 1a9v s ALA 56 Cb -0.09 -0.37 0.16 0.00 0.00 0.00 0.00 23.12 22.82 1a9v s ALA 56 CO 0.02 -0.02 0.53 -1.54 0.00 0.00 0.00 175.76 174.76 1a9v s SER 57 N 0.88 6.13 -0.39 0.00 1.04 -0.45 0.10 113.70 121.01 1a9v s SER 57 Ca -0.11 -2.21 -0.09 0.00 0.48 0.00 0.00 55.95 54.02 1a9v s SER 57 Cb -0.14 -2.12 0.06 0.00 0.10 0.00 0.00 66.02 63.92 1a9v s SER 57 CO -0.00 -0.68 0.21 0.27 0.98 0.00 0.00 173.24 174.02 1a9v s ILE 58 N 0.92 4.19 -0.76 -1.02 -4.36 -1.25 -0.92 121.20 118.00 1a9v s ILE 58 Ca 0.10 -1.23 -0.18 0.00 -0.26 0.00 0.00 60.65 59.07 1a9v s ILE 58 Cb -0.22 -3.48 0.02 0.00 1.25 0.00 0.00 42.46 40.04 1a9v s ILE 58 CO -0.02 -0.38 0.45 -0.90 0.24 0.00 0.00 174.94 174.33 1a9v n ASP 59 N 4.91 -2.94 0.00 4.36 5.68 1.31 0.14 116.55 130.01 1a9v n ASP 59 Ca -0.11 -0.84 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 1a9v n ASP 59 Cb 0.44 -1.09 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 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 -1.62 2.79 2.76 6.12 0.00 -1.26 -4.85 105.19 109.12 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 -4.63 0.99 0.00 0.37 -5.02 117.00 114.95 1a9v n LEU 61 Ca 0.00 -5.46 -0.48 0.00 0.00 0.00 0.00 56.01 50.07 1a9v n LEU 61 Cb 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 43.42 42.45 1a9v n LEU 61 CO 0.00 2.15 1.59 -1.84 0.00 0.00 0.00 177.39 179.29 1a9v n GLU 62 N -0.17 1.98 -2.75 1.96 0.28 -1.25 -3.77 120.64 116.92 1a9v n GLU 62 Ca 0.41 0.69 -0.38 0.00 -0.16 0.00 0.00 57.16 57.72 1a9v n GLU 62 Cb 0.32 -2.70 -0.06 0.00 1.43 0.00 0.00 31.44 30.43 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 5.16 4.12 -0.39 3.84 -7.23 0.12 -4.87 120.40 121.14 1a9v s VAL 63 Ca 0.97 1.86 0.02 0.00 -1.81 0.00 0.00 61.98 63.01 1a9v s VAL 63 Cb -0.67 -4.07 0.15 0.00 0.56 0.00 0.00 36.38 32.35 1a9v s VAL 63 CO 0.49 0.24 0.28 -0.62 -0.31 0.00 0.00 175.10 175.18 1a9v s ASP 64 N -1.47 2.36 -0.03 4.85 2.15 -1.26 -3.01 116.67 120.26 1a9v s ASP 64 Ca 0.48 -2.65 -0.21 0.00 0.43 0.00 0.00 52.55 50.60 1a9v s ASP 64 Cb -0.21 -0.48 0.04 0.00 -0.30 0.00 0.00 42.92 41.97 1a9v s ASP 64 CO 0.27 -0.24 0.45 0.54 -0.17 0.00 0.00 175.17 176.02 1a9v s VAL 65 N 0.51 0.03 0.26 1.11 0.11 -1.26 -5.13 120.40 116.03 1a9v s VAL 65 Ca 0.25 -0.28 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1a9v s VAL 65 Cb -0.11 -0.76 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 1a9v s VAL 65 CO -0.09 -0.16 1.21 -2.16 -3.33 0.00 0.00 175.10 170.57 1a9v s PRO 66 N -1.23 4.50 0.00 1.54 0.04 -1.26 -4.95 135.00 133.64 1a9v s PRO 66 Ca -0.12 1.96 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1a9v s PRO 66 Cb -0.03 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1a9v s PRO 66 CO 0.06 -0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.49 1a9v n GLY 67 N 1.49 -0.17 0.00 0.56 0.00 -1.26 -5.12 105.19 100.69 1a9v n GLY 67 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.27 0.00 -4.22 -0.61 0.13 -1.26 -4.92 119.36 106.20 1a9v n ILE 68 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.31 1a9v n ILE 68 Cb 0.00 -0.01 -0.08 0.00 -0.84 0.00 0.00 39.64 38.71 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 0.66 5.44 0.00 9.51 -1.08 -1.26 -4.99 116.67 124.95 1a9v s ASP 69 Ca 0.00 0.12 0.16 0.00 -0.52 0.00 0.00 52.55 52.31 1a9v s ASP 69 Cb 0.00 -1.53 0.03 0.00 -1.46 0.00 0.00 42.92 39.96 1a9v s ASP 69 CO 0.00 0.31 0.89 -0.81 0.52 0.00 0.00 175.17 176.08 1a9v n PRO 70 N 1.57 1.59 -3.65 4.34 -0.05 -1.26 -4.80 135.00 132.74 1a9v n PRO 70 Ca -0.16 -0.99 -0.38 0.00 -0.05 0.00 0.00 63.50 61.92 1a9v n PRO 70 Cb 0.53 -1.27 -0.08 0.00 -0.05 0.00 0.00 33.50 32.63 1a9v n PRO 70 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 1a9v s ASN 71 N -1.71 5.57 0.00 3.54 0.02 -1.26 -2.41 114.94 118.68 1a9v s ASN 71 Ca 0.15 -2.97 0.00 0.00 -1.02 0.00 0.00 52.86 49.01 1a9v s ASN 71 Cb 0.13 -1.92 0.00 0.00 0.02 0.00 0.00 41.25 39.48 1a9v s ASN 71 CO 0.34 -0.37 0.89 0.00 0.02 0.00 0.00 177.10 177.98 1a9v n ALA 72 N 3.37 2.42 0.13 0.60 0.00 -1.25 -3.14 120.51 122.64 1a9v n ALA 72 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1a9v n ALA 72 Cb 0.39 -1.00 0.09 0.00 0.00 0.00 0.00 19.45 18.93 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 -3.38 0.05 -0.46 0.00 -0.00 -1.19 -2.93 115.22 107.31 1a9v n HIS 74 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 1a9v n HIS 74 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.70 1a9v n HIS 74 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1a9v n TYR 75 N -0.45 0.00 -3.66 4.41 4.01 -0.60 -5.06 117.16 115.81 1a9v n TYR 75 Ca 0.05 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.70 1a9v n TYR 75 Cb 0.05 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.00 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 -0.10 0.65 0.00 -0.72 0.23 0.38 -5.06 119.30 114.69 1a9v s MET 76 Ca 0.00 1.06 0.00 0.00 -1.03 0.00 0.00 55.69 55.72 1a9v s MET 76 Cb 0.00 0.16 0.00 0.00 -1.53 0.00 0.00 34.83 33.46 1a9v s MET 76 CO 0.00 -0.14 0.00 0.36 -2.03 0.00 0.00 175.02 173.21 1a9v n LYS 77 N 3.95 0.00 -4.23 3.16 -0.00 -1.26 -4.55 118.16 115.23 1a9v n LYS 77 Ca -0.19 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.79 1a9v n LYS 77 Cb 0.57 0.00 -0.08 0.00 -0.00 0.00 0.00 35.03 35.52 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 -1.59 2.31 -0.16 0.00 0.04 -1.26 -5.10 135.00 129.23 1a9v s PRO 79 Ca 0.20 0.25 -0.17 0.00 0.04 0.00 0.00 61.00 61.33 1a9v s PRO 79 Cb -0.12 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1a9v s PRO 79 CO 0.11 -1.38 0.42 -0.51 0.04 0.00 0.00 177.00 175.68 1a9v s LEU 80 N -5.50 4.22 -0.08 -3.56 1.02 0.27 -4.92 118.68 110.12 1a9v s LEU 80 Ca 0.60 0.65 -0.03 0.00 0.02 0.00 0.00 54.13 55.38 1a9v s LEU 80 Cb -0.11 -2.58 -0.04 0.00 0.02 0.00 0.00 46.19 43.48 1a9v s LEU 80 CO 0.50 -0.03 0.04 -0.69 0.02 0.00 0.00 176.35 176.20 1a9v s VAL 81 N 0.92 4.64 -0.37 -1.59 1.01 -1.26 -0.54 120.40 123.21 1a9v s VAL 81 Ca 0.22 -0.16 -0.43 0.00 0.00 0.00 0.00 61.98 61.61 1a9v s VAL 81 Cb -0.15 -2.99 -0.17 0.00 0.00 0.00 0.00 36.38 33.07 1a9v s VAL 81 CO 0.08 0.58 1.72 1.17 0.00 0.00 0.00 175.10 178.65 1a9v n LYS 82 N 1.98 0.72 0.00 2.72 0.00 0.47 -1.57 118.16 122.48 1a9v n LYS 82 Ca -0.18 0.26 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1a9v n LYS 82 Cb 0.54 -1.89 0.00 0.00 0.00 0.00 0.00 35.03 33.68 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 4.31 2.02 3.69 3.14 0.00 0.14 -4.84 105.19 113.65 1a9v n GLY 83 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.34 4.38 0.47 1.61 -0.21 -0.61 -4.61 119.66 120.34 1a9v s GLN 84 Ca 0.00 1.67 -0.24 0.00 0.02 0.00 0.00 55.36 56.81 1a9v s GLN 84 Cb 0.00 -3.51 -0.07 0.00 1.00 0.00 0.00 33.01 30.43 1a9v s GLN 84 CO 0.00 -0.39 1.28 -0.65 -2.12 0.00 0.00 175.29 173.42 1a9v s GLN 85 N 1.93 3.63 -0.06 2.91 -0.21 -1.26 -1.27 119.66 125.32 1a9v s GLN 85 Ca 0.56 2.08 -0.02 0.00 0.02 0.00 0.00 55.36 57.99 1a9v s GLN 85 Cb -0.25 -2.49 0.04 0.00 1.00 0.00 0.00 33.01 31.31 1a9v s GLN 85 CO 0.24 -0.75 0.12 0.71 -2.12 0.00 0.00 175.29 173.49 1a9v s TYR 86 N -1.36 -0.11 -0.09 0.91 2.02 -0.49 -4.86 117.35 113.37 1a9v s TYR 86 Ca 0.64 0.43 0.03 0.00 -0.37 0.00 0.00 57.07 57.80 1a9v s TYR 86 Cb -0.36 -0.19 -0.01 0.00 -0.40 0.00 0.00 41.96 41.00 1a9v s TYR 86 CO 0.45 -0.18 -0.19 0.16 -1.57 0.00 0.00 175.55 174.21 1a9v s ASP 87 N 1.52 3.53 0.22 2.29 1.47 -1.26 -0.80 116.67 123.65 1a9v s ASP 87 Ca -0.05 -0.42 0.06 0.00 1.18 0.00 0.00 52.55 53.32 1a9v s ASP 87 Cb -0.12 -1.28 -0.04 0.00 -0.34 0.00 0.00 42.92 41.14 1a9v s ASP 87 CO -0.05 0.20 0.21 -0.51 0.68 0.00 0.00 175.17 175.70 1a9v s ILE 88 N 0.09 4.60 -0.03 2.11 2.07 0.29 -4.93 121.20 125.41 1a9v s ILE 88 Ca -0.09 -1.24 -0.06 0.00 -1.41 0.00 0.00 60.65 57.85 1a9v s ILE 88 Cb -0.15 -3.45 0.01 0.00 0.13 0.00 0.00 42.46 38.99 1a9v s ILE 88 CO 0.06 -0.28 0.14 -0.75 -1.91 0.00 0.00 174.94 172.20 1a9v s LYS 89 N -3.66 0.34 -0.21 3.50 2.20 -1.26 -1.40 119.74 119.25 1a9v s LYS 89 Ca 0.33 -0.12 -0.04 0.00 -0.36 0.00 0.00 55.97 55.78 1a9v s LYS 89 Cb -0.09 0.15 0.10 0.00 -1.51 0.00 0.00 37.83 36.48 1a9v s LYS 89 CO 0.25 -0.07 0.23 -0.47 -0.36 0.00 0.00 175.35 174.93 1a9v s TYR 90 N -0.70 -0.28 -0.22 4.03 5.04 0.20 -4.84 117.35 120.59 1a9v s TYR 90 Ca -0.08 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1a9v s TYR 90 Cb -0.05 -0.39 0.06 0.00 0.35 0.00 0.00 41.96 41.93 1a9v s TYR 90 CO 0.01 -0.64 -0.05 -0.08 -1.34 0.00 0.00 175.55 173.45 1a9v s THR 91 N 2.32 1.36 -0.14 4.34 -1.32 -1.13 -0.68 115.64 120.40 1a9v s THR 91 Ca 0.07 -1.03 -0.04 0.00 -1.21 0.00 0.00 61.69 59.48 1a9v s THR 91 Cb -0.16 -1.62 0.06 0.00 -1.51 0.00 0.00 72.50 69.27 1a9v s THR 91 CO -0.15 -0.05 0.15 0.86 -2.21 0.00 0.00 174.62 173.23 1a9v s TRP 92 N 1.48 -0.10 0.63 9.09 -0.00 -0.61 -4.80 118.94 124.64 1a9v s TRP 92 Ca -0.04 0.23 -0.14 0.00 -0.00 0.00 0.00 56.10 56.16 1a9v s TRP 92 Cb -0.18 -0.42 -0.02 0.00 -0.00 0.00 0.00 33.47 32.86 1a9v s TRP 92 CO -0.07 -0.43 1.05 0.54 -0.00 0.00 0.00 176.95 178.05 1a9v s ASN 93 N 2.26 5.68 0.20 5.86 4.22 -1.26 -1.15 114.94 130.74 1a9v s ASN 93 Ca 0.04 1.70 -0.09 0.00 -2.14 0.00 0.00 52.86 52.38 1a9v s ASN 93 Cb -0.14 -2.51 -0.01 0.00 1.28 0.00 0.00 41.25 39.86 1a9v s ASN 93 CO -0.08 -1.24 0.32 -0.69 -2.04 0.00 0.00 177.10 173.36 1a9v s VAL 94 N -2.74 0.03 0.56 3.54 1.01 0.17 -4.88 120.40 118.08 1a9v s VAL 94 Ca 0.61 -1.51 -0.15 0.00 0.00 0.00 0.00 61.98 60.92 1a9v s VAL 94 Cb -0.15 -2.08 -0.13 0.00 0.00 0.00 0.00 36.38 34.02 1a9v s VAL 94 CO 0.45 -0.15 -0.27 -0.81 0.00 0.00 0.00 175.10 174.32 1a9v n PRO 95 N -0.28 0.00 0.13 2.72 -0.04 -1.26 -2.77 135.00 133.50 1a9v n PRO 95 Ca -0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.43 1a9v n PRO 95 Cb 0.63 -0.87 0.01 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.25 0.00 -0.56 0.54 6.56 -1.90 -1.22 116.57 119.74 1a9v h LYS 96 Ca -0.36 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 58.95 1a9v h LYS 96 Cb 1.22 0.00 -0.34 0.00 -0.57 0.00 0.00 32.23 32.54 1a9v h LYS 96 CO 0.32 0.58 -0.96 1.51 -2.06 0.00 0.00 179.45 178.85 1a9v n ILE 97 N -3.25 0.84 0.12 1.86 3.06 -1.26 0.27 119.36 121.00 1a9v n ILE 97 Ca 0.02 -2.57 -0.07 0.00 -2.50 0.00 0.00 62.75 57.63 1a9v n ILE 97 Cb 0.77 0.97 -0.03 0.00 0.54 0.00 0.00 39.64 41.88 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 2.51 -0.39 -2.30 1.51 0.00 -1.95 -3.46 119.26 115.18 1a9v h ALA 98 Ca -0.18 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 54.11 1a9v h ALA 98 Cb 1.24 0.15 0.15 0.00 0.00 0.00 0.00 17.79 19.33 1a9v h ALA 98 CO 0.24 -0.37 0.29 -1.25 0.00 0.00 0.00 179.25 178.16 1a9v s PRO 99 N -2.91 1.85 -0.44 0.00 0.04 -1.26 -4.97 135.00 127.30 1a9v s PRO 99 Ca -0.07 1.25 -0.09 0.00 0.04 0.00 0.00 61.00 62.14 1a9v s PRO 99 Cb 0.01 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.80 1a9v s PRO 99 CO 0.21 -1.96 0.29 0.15 0.04 0.00 0.00 177.00 175.74 1a9v s LYS 100 N -4.83 2.50 -0.95 4.56 -0.14 -1.26 -4.98 119.74 114.63 1a9v s LYS 100 Ca 0.63 -1.63 -0.26 0.00 -1.36 0.00 0.00 55.97 53.35 1a9v s LYS 100 Cb -0.19 -3.83 -0.23 0.00 -1.68 0.00 0.00 37.83 31.90 1a9v s LYS 100 CO 0.57 -1.07 2.56 -1.13 -0.76 0.00 0.00 175.35 175.51 1a9v n SER 101 N 4.89 0.12 0.06 2.83 3.41 -1.26 -3.52 113.62 120.14 1a9v n SER 101 Ca -0.09 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1a9v n SER 101 Cb 0.42 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 7.92 0.00 -2.84 4.33 1.02 -1.26 -4.71 120.64 125.10 1a9v n GLU 102 Ca 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.75 1a9v n GLU 102 Cb 0.10 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.53 1a9v n GLU 102 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1a9v s ASN 103 N -2.00 -1.38 -0.05 1.62 3.04 -1.23 -4.64 114.94 110.31 1a9v s ASN 103 Ca 0.00 -1.45 -0.04 0.00 0.04 0.00 0.00 52.86 51.41 1a9v s ASN 103 Cb 0.00 1.79 0.01 0.00 -1.54 0.00 0.00 41.25 41.52 1a9v s ASN 103 CO 0.00 -0.07 0.12 -0.69 -3.04 0.00 0.00 177.10 173.42 1a9v s VAL 104 N 1.08 -0.00 -0.05 -5.21 1.01 -1.25 0.40 120.40 116.37 1a9v s VAL 104 Ca 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 1a9v s VAL 104 Cb 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1a9v s VAL 104 CO -0.06 0.01 0.11 0.54 0.00 0.00 0.00 175.10 175.70 1a9v s VAL 105 N 0.16 -0.04 -0.04 2.92 0.11 -0.09 -4.37 120.40 119.05 1a9v s VAL 105 Ca -0.01 0.15 -0.06 0.00 -2.93 0.00 0.00 61.98 59.14 1a9v s VAL 105 Cb -0.02 -0.18 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1a9v s VAL 105 CO -0.00 0.06 0.20 0.54 -3.33 0.00 0.00 175.10 172.57 1a9v s VAL 106 N 0.92 5.41 -0.12 2.04 0.11 -0.10 -1.34 120.40 127.32 1a9v s VAL 106 Ca -0.07 0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 1a9v s VAL 106 Cb -0.10 -3.51 0.03 0.00 -1.53 0.00 0.00 36.38 31.28 1a9v s VAL 106 CO -0.04 0.44 -0.04 -0.89 -3.33 0.00 0.00 175.10 171.24 1a9v s THR 107 N -1.21 0.81 -0.01 5.04 2.01 -0.21 0.00 115.64 122.08 1a9v s THR 107 Ca 0.23 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 62.01 1a9v s THR 107 Cb -0.13 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 1a9v s THR 107 CO 0.13 0.25 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 1a9v s VAL 108 N 1.78 0.78 0.11 3.82 1.01 -0.66 -0.89 120.40 126.36 1a9v s VAL 108 Ca 0.04 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1a9v s VAL 108 Cb -0.13 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1a9v s VAL 108 CO -0.07 0.22 -0.13 -0.75 0.00 0.00 0.00 175.10 174.37 1a9v s LYS 109 N -0.18 0.97 -0.21 2.72 2.36 -0.49 -1.04 119.74 123.87 1a9v s LYS 109 Ca 0.03 -1.19 -0.06 0.00 -2.55 0.00 0.00 55.97 52.20 1a9v s LYS 109 Cb -0.04 -0.83 -0.03 0.00 -1.05 0.00 0.00 37.83 35.88 1a9v s LYS 109 CO -0.00 0.16 0.02 0.08 1.55 0.00 0.00 175.35 177.15 1a9v s VAL 110 N -2.09 4.09 -0.26 4.02 1.01 -0.04 -0.60 120.40 126.53 1a9v s VAL 110 Ca 0.07 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 1a9v s VAL 110 Cb -0.05 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 1a9v s VAL 110 CO 0.02 0.42 0.12 -0.32 0.00 0.00 0.00 175.10 175.34 1a9v s MET 111 N 1.02 3.78 0.00 2.72 1.75 -0.81 -0.34 119.30 127.42 1a9v s MET 111 Ca 0.02 -0.41 0.00 0.00 -1.25 0.00 0.00 55.69 54.05 1a9v s MET 111 Cb -0.14 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 34.08 1a9v s MET 111 CO 0.02 -0.17 0.00 0.41 -0.65 0.00 0.00 175.02 174.63 1a9v n GLY 112 N 4.92 -0.13 1.19 2.11 0.00 -1.17 0.30 105.19 112.41 1a9v n GLY 112 Ca -0.15 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 3.47 0.00 1.61 5.75 -0.70 -4.23 116.55 122.44 1a9v n ASP 113 Ca 0.00 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1a9v n ASP 113 Cb 0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 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 1.42 0.00 0.00 -1.12 5.75 -1.26 -4.88 116.55 116.45 1a9v n ASP 114 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1a9v n ASP 114 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1a9v n ASP 114 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1a9v n GLY 115 N 0.00 -0.70 3.31 6.12 0.00 -1.26 -5.15 105.19 107.51 1a9v n GLY 115 Ca 0.00 0.32 -0.18 0.00 0.00 0.00 0.00 46.02 46.16 1a9v n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a9v s VAL 116 N 0.00 0.00 0.31 1.61 0.11 -1.26 -4.43 120.40 116.74 1a9v s VAL 116 Ca 0.00 -1.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.11 1a9v s VAL 116 Cb 0.00 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 1a9v s VAL 116 CO 0.00 0.00 0.00 -0.11 -3.33 0.00 0.00 175.10 171.66 1a9v n LEU 117 N -0.60 -1.65 -3.64 2.54 -0.00 0.54 -3.06 117.00 111.12 1a9v n LEU 117 Ca 0.06 0.57 -0.04 0.00 -0.00 0.00 0.00 56.01 56.60 1a9v n LEU 117 Cb 0.62 1.68 -0.07 0.00 -0.00 0.00 0.00 43.42 45.66 1a9v n LEU 117 CO 0.32 -0.34 0.54 0.00 -0.00 0.00 0.00 177.39 177.90 1a9v s ALA 118 N -1.92 -2.11 -0.02 1.96 0.00 -0.90 -4.62 121.76 114.15 1a9v s ALA 118 Ca 0.00 2.30 0.02 0.00 0.00 0.00 0.00 51.96 54.28 1a9v s ALA 118 Cb 0.00 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.53 1a9v s ALA 118 CO 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 175.76 175.33 1a9v s ALA 120 N 0.31 -0.30 -0.08 0.00 0.00 -0.21 -1.75 121.76 119.74 1a9v s ALA 120 Ca -0.04 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1a9v s ALA 120 Cb -0.08 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1a9v s ALA 120 CO -0.00 -0.11 -0.08 -1.50 0.00 0.00 0.00 175.76 174.07 1a9v s ILE 121 N 0.62 3.58 0.15 0.00 -1.16 0.38 -1.65 121.20 123.12 1a9v s ILE 121 Ca -0.05 -0.52 0.05 0.00 -0.51 0.00 0.00 60.65 59.62 1a9v s ILE 121 Cb -0.06 -2.47 -0.04 0.00 0.61 0.00 0.00 42.46 40.50 1a9v s ILE 121 CO -0.03 0.58 -0.11 0.00 -2.81 0.00 0.00 174.94 172.58 1a9v s ALA 122 N -0.61 1.49 -0.14 1.50 0.00 0.10 -1.66 121.76 122.45 1a9v s ALA 122 Ca 0.09 -1.49 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 1a9v s ALA 122 Cb -0.12 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1a9v s ALA 122 CO 0.02 -0.08 -0.22 0.25 0.00 0.00 0.00 175.76 175.73 1a9v n THR 123 N -0.18 1.29 0.00 0.00 -2.24 -1.26 -0.92 114.28 110.97 1a9v n THR 123 Ca -0.10 0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1a9v n THR 123 Cb 0.60 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.56 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 -4.31 0.00 -3.25 4.78 8.25 -1.26 -4.59 115.22 114.84 1a9v n HIS 124 Ca -0.09 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.92 1a9v n HIS 124 Cb 0.33 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.43 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 4.22 -0.67 -1.41 0.00 -1.26 -3.95 121.76 118.69 1a9v s ALA 125 Ca 0.00 -3.44 0.05 0.00 0.00 0.00 0.00 51.96 48.57 1a9v s ALA 125 Cb 0.00 -3.66 0.24 0.00 0.00 0.00 0.00 23.12 19.70 1a9v s ALA 125 CO 0.00 -2.39 0.75 0.36 0.00 0.00 0.00 175.76 174.48 1a9v n LYS 126 N 4.00 2.53 -1.89 0.00 2.85 -1.25 -3.90 118.16 120.50 1a9v n LYS 126 Ca 0.21 -4.65 -0.42 0.00 -1.05 0.00 0.00 58.31 52.40 1a9v n LYS 126 Cb 0.44 -2.28 -0.03 0.00 -0.65 0.00 0.00 35.03 32.52 1a9v n LYS 126 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1a9v s ILE 127 N -2.36 3.31 -0.17 0.58 2.07 -1.26 -4.75 121.20 118.62 1a9v s ILE 127 Ca 0.38 0.46 -0.30 0.00 -1.41 0.00 0.00 60.65 59.77 1a9v s ILE 127 Cb 0.12 -3.30 0.13 0.00 0.13 0.00 0.00 42.46 39.54 1a9v s ILE 127 CO -0.03 -0.03 1.02 -0.60 -1.91 0.00 0.00 174.94 173.39 1a9v s ARG 128 N 3.89 0.55 0.00 3.50 6.06 -1.26 -4.60 118.95 127.09 1a9v s ARG 128 Ca 0.78 0.14 0.00 0.00 -2.50 0.00 0.00 55.73 54.15 1a9v s ARG 128 Cb -0.37 0.26 0.00 0.00 0.06 0.00 0.00 34.95 34.90 1a9v s ARG 128 CO 0.34 -0.17 0.00 -0.25 -2.50 0.00 0.00 175.30 172.71