#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba9 n THR 2 N 0.00 1.19 -2.41 0.00 5.66 -1.26 -5.04 114.28 112.41 1ba9 n THR 2 Ca 0.00 -2.79 -0.41 0.00 -3.05 0.00 0.00 64.05 57.80 1ba9 n THR 2 Cb 0.00 1.29 -0.03 0.00 -1.55 0.00 0.00 70.33 70.04 1ba9 n THR 2 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ba9 s LYS 3 N -3.56 3.12 0.28 1.09 -0.14 -1.26 -4.20 119.74 115.08 1ba9 s LYS 3 Ca 0.27 0.11 0.11 0.00 -1.36 0.00 0.00 55.97 55.10 1ba9 s LYS 3 Cb 0.32 -4.20 -0.05 0.00 -1.68 0.00 0.00 37.83 32.22 1ba9 s LYS 3 CO -0.05 -2.20 -0.10 0.00 -0.76 0.00 0.00 175.35 172.24 1ba9 s ALA 4 N 6.45 2.95 -0.00 5.17 0.00 -0.35 -0.76 121.76 135.21 1ba9 s ALA 4 Ca 0.46 -1.82 -0.09 0.00 0.00 0.00 0.00 51.96 50.50 1ba9 s ALA 4 Cb -0.09 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1ba9 s ALA 4 CO 0.19 0.24 0.19 0.54 0.00 0.00 0.00 175.76 176.92 1ba9 s VAL 5 N -2.45 0.07 -0.19 0.00 0.11 0.38 -0.58 120.40 117.74 1ba9 s VAL 5 Ca 0.31 -0.61 -0.03 0.00 -2.93 0.00 0.00 61.98 58.73 1ba9 s VAL 5 Cb -0.05 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.39 1ba9 s VAL 5 CO 0.17 -0.33 0.04 0.00 -3.33 0.00 0.00 175.10 171.65 1ba9 s ALA 6 N -1.32 0.96 -0.84 1.54 0.00 -0.02 -0.83 121.76 121.25 1ba9 s ALA 6 Ca -0.14 -0.68 -0.23 0.00 0.00 0.00 0.00 51.96 50.91 1ba9 s ALA 6 Cb -0.07 -1.18 0.07 0.00 0.00 0.00 0.00 23.12 21.95 1ba9 s ALA 6 CO 0.02 -1.19 1.21 0.14 0.00 0.00 0.00 175.76 175.94 1ba9 s VAL 7 N 1.88 4.19 0.28 0.00 -7.23 -1.25 -0.75 120.40 117.52 1ba9 s VAL 7 Ca -0.01 -0.62 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1ba9 s VAL 7 Cb -0.17 -4.86 -0.11 0.00 0.56 0.00 0.00 36.38 31.80 1ba9 s VAL 7 CO -0.08 -1.69 1.49 -0.76 -0.31 0.00 0.00 175.10 173.75 1ba9 s LEU 8 N 4.32 4.37 0.09 1.32 1.02 0.94 -4.27 118.68 126.47 1ba9 s LEU 8 Ca 0.34 2.81 -0.18 0.00 0.02 0.00 0.00 54.13 57.13 1ba9 s LEU 8 Cb -0.07 -3.63 0.04 0.00 0.02 0.00 0.00 46.19 42.54 1ba9 s LEU 8 CO 0.01 -0.79 0.43 -0.54 0.02 0.00 0.00 176.35 175.48 1ba9 s LYS 9 N -0.70 1.03 0.00 1.70 1.02 0.26 -0.58 119.74 122.46 1ba9 s LYS 9 Ca 0.59 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.05 1ba9 s LYS 9 Cb -0.44 0.46 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1ba9 s LYS 9 CO 0.48 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 1ba9 n GLY 10 N 0.06 4.58 0.35 -3.33 0.00 -1.17 -0.37 105.19 105.31 1ba9 n GLY 10 Ca -0.17 -1.29 -0.02 0.00 0.00 0.00 0.00 46.02 44.54 1ba9 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ba9 h ASP 11 N 0.00 1.01 -3.85 1.61 5.19 -1.91 -3.44 116.42 115.02 1ba9 h ASP 11 Ca 0.00 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.30 1ba9 h ASP 11 Cb 0.00 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.26 1ba9 h ASP 11 CO 0.00 0.80 0.00 0.61 -3.12 0.00 0.00 179.24 177.53 1ba9 n GLY 12 N -1.19 1.47 0.00 2.75 0.00 -1.26 -5.00 105.19 101.96 1ba9 n GLY 12 Ca 0.09 -2.07 0.14 0.00 0.00 0.00 0.00 46.02 44.18 1ba9 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ba9 n PRO 13 N -1.09 0.37 -1.34 1.61 -0.04 -1.26 -4.76 135.00 128.48 1ba9 n PRO 13 Ca 0.01 0.01 -0.55 0.00 -0.04 0.00 0.00 63.50 62.93 1ba9 n PRO 13 Cb 0.04 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 1ba9 n PRO 13 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1ba9 n VAL 14 N -1.31 0.08 -4.06 0.52 3.14 -1.24 -4.58 118.33 110.88 1ba9 n VAL 14 Ca 0.13 -0.12 -0.11 0.00 -2.96 0.00 0.00 64.34 61.28 1ba9 n VAL 14 Cb 0.24 -1.02 -0.11 0.00 -1.06 0.00 0.00 33.84 31.89 1ba9 n VAL 14 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ba9 s GLN 15 N 6.16 0.52 -0.22 1.45 -2.07 -0.39 -3.06 119.66 122.06 1ba9 s GLN 15 Ca 1.16 -0.83 -0.04 0.00 -1.82 0.00 0.00 55.36 53.82 1ba9 s GLN 15 Cb -1.20 -0.15 0.11 0.00 -1.09 0.00 0.00 33.01 30.68 1ba9 s GLN 15 CO 0.58 0.01 0.38 0.20 -1.32 0.00 0.00 175.29 175.14 1ba9 s GLY 16 N -1.83 -0.36 -0.91 2.60 0.00 0.25 0.73 107.32 107.80 1ba9 s GLY 16 Ca -0.07 1.12 -0.21 0.00 0.00 0.00 0.00 44.72 45.56 1ba9 s GLY 16 CO -0.01 2.51 1.22 -0.42 0.00 0.00 0.00 173.10 176.39 1ba9 s ILE 17 N 2.56 4.34 0.42 0.90 1.01 -1.19 -0.04 121.20 129.20 1ba9 s ILE 17 Ca 0.06 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 1ba9 s ILE 17 Cb -0.14 -4.87 -0.09 0.00 0.01 0.00 0.00 42.46 37.38 1ba9 s ILE 17 CO -0.14 -1.66 1.06 -0.63 0.00 0.00 0.00 174.94 173.56 1ba9 s ILE 18 N 3.83 3.68 0.02 2.92 -1.09 0.07 -3.31 121.20 127.33 1ba9 s ILE 18 Ca 0.36 1.25 0.06 0.00 -2.23 0.00 0.00 60.65 60.08 1ba9 s ILE 18 Cb -0.05 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1ba9 s ILE 18 CO -0.05 -0.03 -0.17 0.20 -1.23 0.00 0.00 174.94 173.65 1ba9 s ASN 19 N -1.61 2.02 -0.06 3.58 -0.87 0.60 -0.84 114.94 117.76 1ba9 s ASN 19 Ca 0.60 -0.43 0.03 0.00 -1.57 0.00 0.00 52.86 51.48 1ba9 s ASN 19 Cb -0.22 -0.17 0.01 0.00 -0.02 0.00 0.00 41.25 40.85 1ba9 s ASN 19 CO 0.27 0.13 -0.13 -0.36 -2.57 0.00 0.00 177.10 174.44 1ba9 s PHE 20 N -0.69 1.48 -0.02 2.20 0.08 0.25 -0.96 117.98 120.32 1ba9 s PHE 20 Ca 0.05 -0.51 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 1ba9 s PHE 20 Cb -0.08 -1.06 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 1ba9 s PHE 20 CO 0.01 -0.24 0.13 -2.00 -0.10 0.00 0.00 175.22 173.01 1ba9 s GLU 21 N 0.51 0.32 -0.14 0.44 2.12 -0.51 -1.22 118.70 120.23 1ba9 s GLU 21 Ca -0.12 -0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.07 1ba9 s GLU 21 Cb -0.14 0.14 -0.08 0.00 0.26 0.00 0.00 34.13 34.30 1ba9 s GLU 21 CO 0.03 -0.07 -0.13 0.94 -0.54 0.00 0.00 175.26 175.50 1ba9 n GLN 22 N 2.20 0.33 0.00 4.30 7.27 -1.26 -0.54 117.38 129.67 1ba9 n GLN 22 Ca -0.18 0.09 0.00 0.00 0.07 0.00 0.00 57.00 56.98 1ba9 n GLN 22 Cb 0.57 -1.21 0.00 0.00 2.41 0.00 0.00 30.24 32.01 1ba9 n GLN 22 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ba9 n LYS 23 N -3.06 0.00 -1.67 3.69 0.00 -1.26 -4.83 118.16 111.02 1ba9 n LYS 23 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 57.77 1ba9 n LYS 23 Cb 0.74 -0.01 0.19 0.00 0.00 0.00 0.00 35.03 35.95 1ba9 n LYS 23 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1ba9 s GLU 24 N 0.00 0.28 0.00 1.64 8.01 -1.26 -4.99 118.70 122.38 1ba9 s GLU 24 Ca 0.00 -0.23 0.22 0.00 0.01 0.00 0.00 54.97 54.97 1ba9 s GLU 24 Cb 0.00 -1.79 -0.09 0.00 -4.31 0.00 0.00 34.13 27.94 1ba9 s GLU 24 CO 0.00 -2.68 1.02 0.43 0.01 0.00 0.00 175.26 174.04 1ba9 n SER 25 N -4.00 1.64 -1.63 -0.19 7.64 -1.26 -4.62 113.62 111.20 1ba9 n SER 25 Ca 0.13 -1.32 -0.05 0.00 1.01 0.00 0.00 58.87 58.65 1ba9 n SER 25 Cb 0.60 0.67 0.01 0.00 -1.01 0.00 0.00 64.21 64.48 1ba9 n SER 25 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1ba9 n ASN 26 N -0.58 -1.13 -4.95 6.43 2.85 -1.26 -5.14 115.26 111.48 1ba9 n ASN 26 Ca 0.07 -2.00 -0.23 0.00 -0.11 0.00 0.00 54.58 52.31 1ba9 n ASN 26 Cb 0.42 0.43 0.02 0.00 1.24 0.00 0.00 39.78 41.89 1ba9 n ASN 26 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1ba9 s GLY 27 N -1.00 2.10 0.38 8.20 0.00 -1.26 -5.10 107.32 110.63 1ba9 s GLY 27 Ca 0.03 -1.66 -0.26 0.00 0.00 0.00 0.00 44.72 42.83 1ba9 s GLY 27 CO -0.05 -1.82 1.20 2.56 0.00 0.00 0.00 173.10 174.99 1ba9 s PRO 28 N -4.42 4.16 -0.04 2.90 0.04 -1.26 -4.94 135.00 131.43 1ba9 s PRO 28 Ca 0.46 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 1ba9 s PRO 28 Cb -0.04 -2.80 -0.02 0.00 0.04 0.00 0.00 34.50 31.68 1ba9 s PRO 28 CO 0.29 -0.26 0.99 0.08 0.04 0.00 0.00 177.00 178.15 1ba9 s VAL 29 N -1.33 4.82 -0.17 -0.36 1.01 0.16 -4.64 120.40 119.89 1ba9 s VAL 29 Ca 0.54 2.05 -0.20 0.00 0.00 0.00 0.00 61.98 64.37 1ba9 s VAL 29 Cb -0.33 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 1ba9 s VAL 29 CO 0.42 0.09 0.58 -0.54 0.00 0.00 0.00 175.10 175.66 1ba9 s LYS 30 N 1.43 4.25 -0.09 2.72 -0.14 0.30 -0.73 119.74 127.48 1ba9 s LYS 30 Ca 0.51 0.56 0.03 0.00 -1.36 0.00 0.00 55.97 55.70 1ba9 s LYS 30 Cb -0.20 -3.54 -0.01 0.00 -1.68 0.00 0.00 37.83 32.40 1ba9 s LYS 30 CO 0.24 -0.12 -0.18 0.54 -0.76 0.00 0.00 175.35 175.07 1ba9 s VAL 31 N 1.52 2.66 0.20 3.17 0.11 0.26 -1.42 120.40 126.89 1ba9 s VAL 31 Ca 0.28 -0.83 -0.11 0.00 -2.93 0.00 0.00 61.98 58.39 1ba9 s VAL 31 Cb -0.16 -2.06 -0.00 0.00 -1.53 0.00 0.00 36.38 32.63 1ba9 s VAL 31 CO 0.11 0.55 0.38 -1.66 -3.33 0.00 0.00 175.10 171.15 1ba9 s TRP 32 N 0.04 0.35 0.05 1.54 -2.14 -0.14 -0.51 118.94 118.13 1ba9 s TRP 32 Ca -0.07 -0.70 -0.16 0.00 2.66 0.00 0.00 56.10 57.83 1ba9 s TRP 32 Cb -0.15 0.07 0.05 0.00 -3.10 0.00 0.00 33.47 30.35 1ba9 s TRP 32 CO 0.05 -0.85 0.74 0.41 -2.66 0.00 0.00 176.95 174.64 1ba9 n GLY 33 N -0.30 0.61 3.19 3.67 0.00 -0.33 -0.29 105.19 111.74 1ba9 n GLY 33 Ca -0.05 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 44.97 1ba9 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ba9 s SER 34 N -2.69 -1.53 0.83 1.61 0.01 -1.21 -0.84 113.70 109.89 1ba9 s SER 34 Ca 0.17 -0.53 -0.12 0.00 1.31 0.00 0.00 55.95 56.78 1ba9 s SER 34 Cb -0.01 1.95 0.10 0.00 0.21 0.00 0.00 66.02 68.27 1ba9 s SER 34 CO 0.02 -0.20 1.15 -0.51 0.41 0.00 0.00 173.24 174.11 1ba9 s ILE 35 N 2.09 2.38 -0.30 1.44 1.10 -0.24 -3.15 121.20 124.51 1ba9 s ILE 35 Ca 0.15 0.14 0.01 0.00 -0.51 0.00 0.00 60.65 60.43 1ba9 s ILE 35 Cb -0.05 -2.41 0.14 0.00 0.15 0.00 0.00 42.46 40.29 1ba9 s ILE 35 CO -0.12 -0.14 0.32 -0.54 -2.11 0.00 0.00 174.94 172.35 1ba9 s LYS 36 N -4.47 0.39 0.00 3.50 1.02 0.22 -3.02 119.74 117.38 1ba9 s LYS 36 Ca 0.68 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1ba9 s LYS 36 Cb -0.24 -0.63 0.00 0.00 -0.52 0.00 0.00 37.83 36.45 1ba9 s LYS 36 CO 0.54 -1.06 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1ba9 n GLY 37 N 5.12 0.12 0.00 -3.33 0.00 -0.23 -1.26 105.19 105.60 1ba9 n GLY 37 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ba9 n GLY 37 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ba9 n LEU 38 N 0.00 0.00 -3.93 0.99 7.94 -0.20 -3.66 117.00 118.15 1ba9 n LEU 38 Ca 0.00 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.75 1ba9 n LEU 38 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 1ba9 n LEU 38 CO 0.00 0.00 -0.39 0.42 -1.11 0.00 0.00 177.39 176.31 1ba9 s THR 39 N 2.49 0.29 0.55 1.96 -4.23 -1.26 -4.53 115.64 110.91 1ba9 s THR 39 Ca 0.00 -0.14 -0.19 0.00 -1.18 0.00 0.00 61.69 60.17 1ba9 s THR 39 Cb 0.00 -0.26 -0.07 0.00 1.34 0.00 0.00 72.50 73.51 1ba9 s THR 39 CO 0.00 0.09 0.82 -1.84 -0.54 0.00 0.00 174.62 173.15 1ba9 n GLU 40 N 3.06 0.84 0.00 3.99 0.28 -1.23 -4.56 120.64 123.02 1ba9 n GLU 40 Ca -0.13 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1ba9 n GLU 40 Cb 0.58 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 31.47 1ba9 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ba9 n GLY 41 N 1.44 0.21 3.15 -1.84 0.00 -0.40 -4.88 105.19 102.87 1ba9 n GLY 41 Ca 0.12 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.60 1ba9 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ba9 s LEU 42 N 0.00 1.26 -0.03 0.99 2.34 -1.26 -0.40 118.68 121.59 1ba9 s LEU 42 Ca 0.00 0.01 0.01 0.00 0.06 0.00 0.00 54.13 54.21 1ba9 s LEU 42 Cb 0.00 0.87 0.02 0.00 -0.56 0.00 0.00 46.19 46.52 1ba9 s LEU 42 CO 0.00 -0.33 -0.02 -1.00 -1.06 0.00 0.00 176.35 173.93 1ba9 s HIS 43 N -1.06 0.49 0.60 3.48 3.76 0.31 -3.06 115.29 119.81 1ba9 s HIS 43 Ca -0.11 -0.09 -0.19 0.00 -0.15 0.00 0.00 55.06 54.52 1ba9 s HIS 43 Cb -0.06 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.12 1ba9 s HIS 43 CO 0.02 -0.13 1.23 0.20 -0.85 0.00 0.00 174.74 175.21 1ba9 s GLY 44 N 0.80 2.77 -0.23 -2.22 0.00 -0.06 -0.43 107.32 107.95 1ba9 s GLY 44 Ca -0.09 1.06 -0.03 0.00 0.00 0.00 0.00 44.72 45.66 1ba9 s GLY 44 CO -0.01 1.46 0.36 -0.12 0.00 0.00 0.00 173.10 174.80 1ba9 s PHE 45 N -1.54 -0.76 0.14 1.90 5.36 0.78 -0.53 117.98 123.33 1ba9 s PHE 45 Ca 0.79 0.84 -0.14 0.00 -0.96 0.00 0.00 56.93 57.46 1ba9 s PHE 45 Cb -0.32 0.01 0.02 0.00 -0.34 0.00 0.00 43.02 42.39 1ba9 s PHE 45 CO 0.35 -0.67 0.37 -1.01 -1.46 0.00 0.00 175.22 172.79 1ba9 s HIS 46 N 2.53 -0.01 -0.45 10.12 3.76 -0.80 -3.04 115.29 127.40 1ba9 s HIS 46 Ca 0.10 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 1ba9 s HIS 46 Cb -0.15 0.17 0.03 0.00 1.11 0.00 0.00 32.58 33.74 1ba9 s HIS 46 CO -0.15 -0.72 0.74 0.08 -0.85 0.00 0.00 174.74 173.84 1ba9 s VAL 47 N -3.86 4.71 0.32 -0.90 1.01 -0.42 -1.17 120.40 120.09 1ba9 s VAL 47 Ca 0.07 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.14 1ba9 s VAL 47 Cb 0.02 -4.29 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1ba9 s VAL 47 CO -0.08 -0.68 0.85 -1.00 0.00 0.00 0.00 175.10 174.19 1ba9 s HIS 48 N 3.13 3.53 -1.25 5.22 3.76 0.77 -1.02 115.29 129.42 1ba9 s HIS 48 Ca 0.27 1.54 -0.15 0.00 -0.15 0.00 0.00 55.06 56.57 1ba9 s HIS 48 Cb -0.13 -2.76 -0.04 0.00 1.11 0.00 0.00 32.58 30.77 1ba9 s HIS 48 CO 0.21 0.14 2.22 -1.91 -0.85 0.00 0.00 174.74 174.55 1ba9 n GLU 49 N 0.13 2.52 -4.08 1.40 0.00 -0.64 -3.37 120.64 116.59 1ba9 n GLU 49 Ca 0.02 -2.27 -0.14 0.00 0.00 0.00 0.00 57.16 54.78 1ba9 n GLU 49 Cb 0.52 -3.08 -0.04 0.00 0.00 0.00 0.00 31.44 28.84 1ba9 n GLU 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 1ba9 s GLU 50 N 3.61 1.86 0.10 5.31 0.41 -1.26 -4.60 118.70 124.13 1ba9 s GLU 50 Ca 0.52 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 53.38 1ba9 s GLU 50 Cb 0.14 0.44 0.00 0.00 -1.78 0.00 0.00 34.13 32.94 1ba9 s GLU 50 CO -0.02 -0.77 0.00 -0.85 -0.49 0.00 0.00 175.26 173.13 1ba9 n GLU 51 N -0.54 0.00 -3.38 1.61 0.28 -1.26 -1.51 120.64 115.83 1ba9 n GLU 51 Ca 0.01 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.55 1ba9 n GLU 51 Cb 0.62 -0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.46 1ba9 n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ba9 s ASP 52 N -4.33 6.54 0.00 -1.84 1.01 -1.26 -4.74 116.67 112.04 1ba9 s ASP 52 Ca 0.00 -2.71 -0.03 0.00 0.71 0.00 0.00 52.55 50.52 1ba9 s ASP 52 Cb 0.00 -2.16 -0.14 0.00 1.01 0.00 0.00 42.92 41.63 1ba9 s ASP 52 CO 0.00 -0.55 2.64 -3.20 0.21 0.00 0.00 175.17 174.27 1ba9 n ASN 53 N 3.91 4.59 0.20 0.27 4.05 -1.26 -4.61 115.26 122.41 1ba9 n ASN 53 Ca 0.13 -2.30 0.09 0.00 0.45 0.00 0.00 54.58 52.94 1ba9 n ASN 53 Cb 0.46 -1.14 0.62 0.00 1.23 0.00 0.00 39.78 40.95 1ba9 n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1ba9 h THR 54 N 1.74 0.98 0.00 -0.44 1.35 -2.04 -0.63 112.91 113.88 1ba9 h THR 54 Ca 0.10 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1ba9 h THR 54 Cb 1.14 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1ba9 h THR 54 CO 0.16 0.01 0.21 0.00 -0.25 0.00 0.00 175.52 175.66 1ba9 h ALA 55 N 1.94 1.19 -2.55 6.62 0.00 -2.02 -3.46 119.26 120.97 1ba9 h ALA 55 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ba9 h ALA 55 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ba9 h ALA 55 CO -0.01 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1ba9 n GLY 56 N -1.22 0.61 2.29 0.00 0.00 -0.24 -4.26 105.19 102.35 1ba9 n GLY 56 Ca -0.02 -0.34 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 1ba9 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba9 n THR 58 N -2.61 0.51 0.00 0.00 -1.04 -1.26 -4.86 114.28 105.01 1ba9 n THR 58 Ca -0.06 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1ba9 n THR 58 Cb 0.48 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.20 1ba9 n THR 58 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1ba9 n SER 59 N -3.15 0.00 0.00 8.00 2.88 -1.26 -4.96 113.62 115.13 1ba9 n SER 59 Ca -0.04 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1ba9 n SER 59 Cb 0.16 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 1ba9 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ba9 n ALA 60 N -1.81 0.00 -3.04 -1.46 0.00 -1.26 -4.89 120.51 108.05 1ba9 n ALA 60 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ba9 n ALA 60 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ba9 n ALA 60 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ba9 s GLY 61 N -0.80 0.56 0.89 0.00 0.00 -1.26 -5.03 107.32 101.67 1ba9 s GLY 61 Ca 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 44.72 43.67 1ba9 s GLY 61 CO 0.00 -0.70 1.00 -1.55 0.00 0.00 0.00 173.10 171.85 1ba9 n PRO 62 N -0.35 -1.83 -1.68 2.90 -0.04 -1.26 -4.52 135.00 128.23 1ba9 n PRO 62 Ca -0.03 -1.56 -0.45 0.00 -0.04 0.00 0.00 63.50 61.42 1ba9 n PRO 62 Cb 0.62 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 1ba9 n PRO 62 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1ba9 n HIS 63 N -3.92 2.39 -1.95 0.54 8.25 -1.26 -1.62 115.22 117.66 1ba9 n HIS 63 Ca 0.13 0.23 -0.43 0.00 -0.26 0.00 0.00 57.72 57.39 1ba9 n HIS 63 Cb 0.47 -2.57 -0.03 0.00 1.12 0.00 0.00 29.99 28.99 1ba9 n HIS 63 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ba9 s PHE 64 N 0.89 1.71 -0.47 4.41 5.36 -0.19 -4.73 117.98 124.96 1ba9 s PHE 64 Ca 0.77 0.64 0.08 0.00 -0.96 0.00 0.00 56.93 57.46 1ba9 s PHE 64 Cb -0.63 -4.09 0.38 0.00 -0.34 0.00 0.00 43.02 38.33 1ba9 s PHE 64 CO 0.37 -3.05 0.95 0.27 -1.46 0.00 0.00 175.22 172.30 1ba9 n ASN 65 N 10.65 3.43 0.29 6.13 6.94 -1.26 -3.18 115.26 138.27 1ba9 n ASN 65 Ca 0.24 -3.44 0.17 0.00 -0.02 0.00 0.00 54.58 51.53 1ba9 n ASN 65 Cb 0.47 -0.54 0.86 0.00 -2.36 0.00 0.00 39.78 38.20 1ba9 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1ba9 h PRO 66 N 2.89 0.00 0.00 -0.53 0.13 -1.94 0.52 132.00 133.06 1ba9 h PRO 66 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ba9 h PRO 66 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1ba9 h PRO 66 CO 0.72 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.82 1ba9 n LEU 67 N -3.28 0.00 -2.78 1.56 4.77 -1.26 -4.92 117.00 111.09 1ba9 n LEU 67 Ca -0.01 0.47 -0.12 0.00 -0.03 0.00 0.00 56.01 56.32 1ba9 n LEU 67 Cb 0.21 -0.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1ba9 n LEU 67 CO 0.26 -0.18 0.05 -0.24 -1.33 0.00 0.00 177.39 175.95 1ba9 n SER 68 N -1.47 -3.71 -4.64 -1.43 2.88 0.17 -5.07 113.62 100.36 1ba9 n SER 68 Ca 0.05 -0.49 -0.30 0.00 -1.33 0.00 0.00 58.87 56.80 1ba9 n SER 68 Cb 0.20 -3.91 -0.09 0.00 -0.75 0.00 0.00 64.21 59.66 1ba9 n SER 68 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1ba9 s ARG 69 N -4.51 2.07 0.73 -1.46 3.00 -1.26 -5.17 118.95 112.36 1ba9 s ARG 69 Ca 0.17 -2.27 -0.01 0.00 0.00 0.00 0.00 55.73 53.61 1ba9 s ARG 69 Cb -0.02 -1.42 0.13 0.00 0.00 0.00 0.00 34.95 33.63 1ba9 s ARG 69 CO 0.54 -0.28 1.01 0.15 0.00 0.00 0.00 175.30 176.71 1ba9 s LYS 70 N -3.82 1.65 0.31 3.54 1.02 -1.26 -4.83 119.74 116.35 1ba9 s LYS 70 Ca 0.17 -1.07 -0.28 0.00 0.02 0.00 0.00 55.97 54.81 1ba9 s LYS 70 Cb 0.04 -2.31 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 1ba9 s LYS 70 CO 0.09 -1.48 1.09 -1.58 -0.92 0.00 0.00 175.35 172.55 1ba9 s HIS 71 N -3.17 3.50 0.01 3.18 5.65 0.57 -2.94 115.29 122.08 1ba9 s HIS 71 Ca 0.66 1.69 -0.11 0.00 0.25 0.00 0.00 55.06 57.55 1ba9 s HIS 71 Cb -0.05 -3.25 0.04 0.00 -1.18 0.00 0.00 32.58 28.13 1ba9 s HIS 71 CO 0.45 -0.58 0.51 0.41 -0.65 0.00 0.00 174.74 174.87 1ba9 n GLY 72 N 0.99 0.57 3.95 1.59 0.00 -1.25 -3.68 105.19 107.36 1ba9 n GLY 72 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 1ba9 n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ba9 s GLY 73 N -3.04 1.33 0.65 -0.02 0.00 -0.92 -4.16 107.32 101.17 1ba9 s GLY 73 Ca 0.12 -0.95 0.38 0.00 0.00 0.00 0.00 44.72 44.27 1ba9 s GLY 73 CO 0.00 -0.89 2.23 -0.56 0.00 0.00 0.00 173.10 173.88 1ba9 h PRO 74 N 0.79 0.00 -0.02 2.90 0.13 -1.83 -0.26 132.00 133.71 1ba9 h PRO 74 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ba9 h PRO 74 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ba9 h PRO 74 CO 0.61 0.00 -0.09 1.63 -0.23 0.00 0.00 178.00 179.93 1ba9 n LYS 75 N -3.18 1.77 -3.30 0.86 4.76 -1.26 -4.95 118.16 112.85 1ba9 n LYS 75 Ca -0.02 -1.28 -0.19 0.00 -2.87 0.00 0.00 58.31 53.95 1ba9 n LYS 75 Cb 0.17 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.88 1ba9 n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ba9 s ASP 76 N -2.11 5.34 0.21 4.39 1.01 -0.11 -5.02 116.67 120.37 1ba9 s ASP 76 Ca 0.30 -0.59 -0.08 0.00 0.71 0.00 0.00 52.55 52.89 1ba9 s ASP 76 Cb 0.20 -0.61 0.15 0.00 1.01 0.00 0.00 42.92 43.67 1ba9 s ASP 76 CO 0.37 -0.71 1.77 1.05 0.21 0.00 0.00 175.17 177.87 1ba9 h GLU 77 N 0.84 1.17 -6.35 8.23 4.11 -1.93 -3.44 114.58 117.21 1ba9 h GLU 77 Ca -0.41 -0.21 -0.55 0.00 0.07 0.00 0.00 59.36 58.26 1ba9 h GLU 77 Cb 1.27 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1ba9 h GLU 77 CO 0.52 0.95 -0.16 -1.21 0.07 0.00 0.00 179.01 179.17 1ba9 s GLU 78 N -5.55 3.78 0.00 1.06 0.41 -1.26 -5.05 118.70 112.09 1ba9 s GLU 78 Ca -0.12 0.21 0.00 0.00 -0.41 0.00 0.00 54.97 54.65 1ba9 s GLU 78 Cb 0.15 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1ba9 s GLU 78 CO 0.84 0.38 0.00 2.89 -0.49 0.00 0.00 175.26 178.87 1ba9 n ARG 79 N 0.07 0.00 -1.47 1.61 1.85 -1.15 -2.16 116.66 115.41 1ba9 n ARG 79 Ca -0.01 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.54 1ba9 n ARG 79 Cb 0.52 0.00 0.23 0.00 -1.05 0.00 0.00 32.46 32.16 1ba9 n ARG 79 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1ba9 s HIS 80 N -0.32 0.71 0.01 2.89 3.76 -1.23 -4.78 115.29 116.33 1ba9 s HIS 80 Ca 0.00 0.33 -0.25 0.00 -0.15 0.00 0.00 55.06 54.99 1ba9 s HIS 80 Cb 0.00 -3.83 -0.17 0.00 1.11 0.00 0.00 32.58 29.69 1ba9 s HIS 80 CO 0.00 -3.49 1.27 -0.39 -0.85 0.00 0.00 174.74 171.28 1ba9 h VAL 81 N -2.27 0.78 -0.68 -0.90 -1.51 -1.91 -3.26 116.25 106.50 1ba9 h VAL 81 Ca -0.43 -0.62 -0.43 0.00 -1.23 0.00 0.00 66.70 63.99 1ba9 h VAL 81 Cb 1.25 1.11 -0.18 0.00 -2.13 0.00 0.00 31.29 31.35 1ba9 h VAL 81 CO 0.31 0.13 0.52 0.61 -1.23 0.00 0.00 177.57 177.91 1ba9 n GLY 82 N -0.31 4.53 3.04 5.19 0.00 -1.25 -4.74 105.19 111.65 1ba9 n GLY 82 Ca -0.09 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1ba9 n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ba9 n ASP 83 N 0.13 5.84 -2.24 1.61 9.92 -1.23 -1.31 116.55 129.26 1ba9 n ASP 83 Ca 0.39 -3.31 -0.21 0.00 -0.53 0.00 0.00 54.79 51.13 1ba9 n ASP 83 Cb 0.58 -1.23 -0.05 0.00 -0.64 0.00 0.00 41.12 39.78 1ba9 n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ba9 n LEU 84 N 1.66 6.23 0.00 0.64 4.77 -1.17 -3.98 117.00 125.15 1ba9 n LEU 84 Ca 0.26 -3.69 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 1ba9 n LEU 84 Cb 0.35 -1.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1ba9 n LEU 84 CO 0.61 1.59 0.00 0.61 -1.33 0.00 0.00 177.39 178.87 1ba9 n GLY 85 N 1.05 0.00 3.58 -0.72 0.00 -1.26 -4.67 105.19 103.17 1ba9 n GLY 85 Ca 0.42 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.19 1ba9 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 86 N 0.00 4.24 0.28 1.61 6.03 -1.26 -0.16 114.94 125.67 1ba9 s ASN 86 Ca 0.00 -0.66 0.08 0.00 -1.03 0.00 0.00 52.86 51.24 1ba9 s ASN 86 Cb 0.00 -0.69 -0.04 0.00 -3.03 0.00 0.00 41.25 37.49 1ba9 s ASN 86 CO 0.00 0.06 0.19 0.68 -2.03 0.00 0.00 177.10 176.00 1ba9 s VAL 87 N -2.00 4.04 -0.23 3.54 -7.23 0.43 -4.87 120.40 114.07 1ba9 s VAL 87 Ca 0.27 -1.48 -0.05 0.00 -1.81 0.00 0.00 61.98 58.91 1ba9 s VAL 87 Cb -0.08 -3.26 -0.01 0.00 0.56 0.00 0.00 36.38 33.59 1ba9 s VAL 87 CO 0.16 -0.31 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.75 1ba9 s THR 88 N -2.21 3.66 -0.01 5.32 2.01 -1.26 -0.53 115.64 122.62 1ba9 s THR 88 Ca 0.35 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1ba9 s THR 88 Cb -0.07 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 1ba9 s THR 88 CO 0.24 0.38 0.36 0.00 -0.69 0.00 0.00 174.62 174.92 1ba9 s ALA 89 N 1.52 3.74 0.95 7.40 0.00 0.47 -4.02 121.76 131.81 1ba9 s ALA 89 Ca 0.06 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.54 1ba9 s ALA 89 Cb -0.15 -2.28 0.17 0.00 0.00 0.00 0.00 23.12 20.86 1ba9 s ALA 89 CO -0.01 0.53 1.20 0.34 0.00 0.00 0.00 175.76 177.82 1ba9 s ASP 90 N -1.22 3.24 0.62 0.00 -1.08 0.60 -1.27 116.67 117.56 1ba9 s ASP 90 Ca 0.24 0.65 0.29 0.00 -0.52 0.00 0.00 52.55 53.22 1ba9 s ASP 90 Cb -0.15 -0.99 1.58 0.00 -1.46 0.00 0.00 42.92 41.90 1ba9 s ASP 90 CO 0.13 -2.69 1.94 0.07 0.52 0.00 0.00 175.17 175.14 1ba9 h LYS 91 N -1.60 0.00 -0.02 4.34 2.10 -1.96 0.12 116.57 119.54 1ba9 h LYS 91 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1ba9 h LYS 91 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1ba9 h LYS 91 CO 0.51 0.00 -0.11 -0.25 -2.00 0.00 0.00 179.45 177.60 1ba9 n ASP 92 N -3.36 2.24 -1.94 7.07 9.92 -1.26 -4.82 116.55 124.40 1ba9 n ASP 92 Ca 0.03 -1.67 -0.13 0.00 -0.53 0.00 0.00 54.79 52.48 1ba9 n ASP 92 Cb 0.49 0.10 0.03 0.00 -0.64 0.00 0.00 41.12 41.09 1ba9 n ASP 92 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ba9 n GLY 93 N 1.31 0.05 3.46 0.44 0.00 0.40 -4.71 105.19 106.15 1ba9 n GLY 93 Ca 0.14 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1ba9 n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ba9 s VAL 94 N -2.99 3.62 -0.31 1.61 1.01 -1.26 -1.04 120.40 121.05 1ba9 s VAL 94 Ca 0.22 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1ba9 s VAL 94 Cb -0.10 -2.57 0.08 0.00 0.00 0.00 0.00 36.38 33.80 1ba9 s VAL 94 CO 0.28 0.50 -0.01 0.00 0.00 0.00 0.00 175.10 175.87 1ba9 s ALA 95 N 0.36 2.70 -0.32 5.51 0.00 -1.17 -0.29 121.76 128.56 1ba9 s ALA 95 Ca -0.06 -2.19 -0.29 0.00 0.00 0.00 0.00 51.96 49.41 1ba9 s ALA 95 Cb -0.15 -1.80 0.01 0.00 0.00 0.00 0.00 23.12 21.18 1ba9 s ALA 95 CO 0.04 -1.50 1.22 -0.51 0.00 0.00 0.00 175.76 175.01 1ba9 s ASP 96 N 1.01 6.76 0.06 0.00 1.11 -1.26 -1.08 116.67 123.27 1ba9 s ASP 96 Ca 0.03 1.11 -0.07 0.00 0.18 0.00 0.00 52.55 53.81 1ba9 s ASP 96 Cb -0.19 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.20 1ba9 s ASP 96 CO -0.07 -1.02 0.33 -0.69 1.18 0.00 0.00 175.17 174.89 1ba9 s VAL 97 N 4.13 5.22 -0.32 -1.27 1.01 -0.02 -4.73 120.40 124.42 1ba9 s VAL 97 Ca 0.52 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.73 1ba9 s VAL 97 Cb -0.15 -3.60 0.19 0.00 0.00 0.00 0.00 36.38 32.82 1ba9 s VAL 97 CO 0.21 0.27 0.71 -0.55 0.00 0.00 0.00 175.10 175.74 1ba9 s SER 98 N -1.90 -1.30 0.24 3.32 0.15 -1.26 -1.19 113.70 111.77 1ba9 s SER 98 Ca 0.32 -0.11 0.04 0.00 0.70 0.00 0.00 55.95 56.91 1ba9 s SER 98 Cb -0.13 1.76 -0.02 0.00 -1.71 0.00 0.00 66.02 65.92 1ba9 s SER 98 CO 0.19 -0.21 0.23 0.00 1.20 0.00 0.00 173.24 174.65 1ba9 n ILE 99 N 4.98 0.00 -3.88 6.45 3.06 0.33 -5.00 119.36 125.30 1ba9 n ILE 99 Ca 0.07 -1.64 -0.09 0.00 -2.50 0.00 0.00 62.75 58.60 1ba9 n ILE 99 Cb 0.56 0.85 -0.08 0.00 0.54 0.00 0.00 39.64 41.51 1ba9 n ILE 99 CO 0.00 0.00 0.00 -1.83 -2.50 0.00 0.00 176.55 172.22 1ba9 s GLU 100 N -2.89 0.82 0.05 9.51 4.04 -1.26 -0.57 118.70 128.40 1ba9 s GLU 100 Ca 0.27 -0.97 0.03 0.00 0.04 0.00 0.00 54.97 54.34 1ba9 s GLU 100 Cb 0.01 0.33 -0.03 0.00 0.02 0.00 0.00 34.13 34.46 1ba9 s GLU 100 CO 0.19 -0.25 -0.10 -0.51 -1.84 0.00 0.00 175.26 172.75 1ba9 s ASP 101 N -2.84 1.15 -0.36 0.83 1.01 0.09 -4.95 116.67 111.61 1ba9 s ASP 101 Ca 0.05 -0.57 0.05 0.00 0.71 0.00 0.00 52.55 52.79 1ba9 s ASP 101 Cb 0.05 0.00 0.45 0.00 1.01 0.00 0.00 42.92 44.44 1ba9 s ASP 101 CO -0.11 -0.15 1.32 -1.20 0.21 0.00 0.00 175.17 175.24 1ba9 n SER 102 N 1.42 5.35 0.15 0.27 7.64 -1.26 -0.66 113.62 126.53 1ba9 n SER 102 Ca -0.22 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 55.90 1ba9 n SER 102 Cb 0.54 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1ba9 n SER 102 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ba9 n VAL 103 N -0.72 0.00 -1.42 0.44 3.14 -1.26 -5.06 118.33 113.45 1ba9 n VAL 103 Ca 0.47 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.53 1ba9 n VAL 103 Cb 0.90 -0.39 0.08 0.00 -1.06 0.00 0.00 33.84 33.36 1ba9 n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1ba9 s ILE 104 N -2.00 3.31 0.27 1.55 -5.25 -1.26 -4.87 121.20 112.96 1ba9 s ILE 104 Ca 0.00 0.48 -0.08 0.00 -0.99 0.00 0.00 60.65 60.06 1ba9 s ILE 104 Cb 0.00 -2.98 0.03 0.00 2.95 0.00 0.00 42.46 42.46 1ba9 s ILE 104 CO 0.00 -0.50 0.50 -1.20 -1.79 0.00 0.00 174.94 171.95 1ba9 n SER 105 N -3.17 -1.45 -1.70 4.36 7.64 -0.42 -4.67 113.62 114.21 1ba9 n SER 105 Ca 0.09 -2.21 0.06 0.00 1.01 0.00 0.00 58.87 57.83 1ba9 n SER 105 Cb 0.53 2.48 0.35 0.00 -1.01 0.00 0.00 64.21 66.56 1ba9 n SER 105 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ba9 n LEU 106 N 0.00 5.07 -3.91 -3.43 4.32 -1.26 -0.31 117.00 117.47 1ba9 n LEU 106 Ca -0.04 -2.57 0.01 0.00 -0.02 0.00 0.00 56.01 53.38 1ba9 n LEU 106 Cb 0.43 -0.65 0.01 0.00 -1.62 0.00 0.00 43.42 41.58 1ba9 n LEU 106 CO 0.20 0.59 1.00 -0.94 -1.22 0.00 0.00 177.39 177.02 1ba9 s SER 107 N -0.69 -0.00 -0.60 -1.43 1.04 -1.26 -4.75 113.70 106.01 1ba9 s SER 107 Ca 0.47 -0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.53 1ba9 s SER 107 Cb 0.36 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1ba9 s SER 107 CO 0.14 -0.53 0.52 0.61 0.98 0.00 0.00 173.24 174.97 1ba9 n GLY 108 N -0.79 -0.13 5.00 7.32 0.00 -1.26 -3.66 105.19 111.67 1ba9 n GLY 108 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ba9 n GLY 108 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ba9 n ASP 109 N -2.33 0.00 -1.78 1.61 -0.08 -1.26 -4.52 116.55 108.19 1ba9 n ASP 109 Ca -0.09 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.17 1ba9 n ASP 109 Cb 0.58 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.01 1ba9 n ASP 109 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1ba9 n HIS 110 N 0.00 0.00 -1.74 -0.67 8.25 -1.26 -4.84 115.22 114.96 1ba9 n HIS 110 Ca 0.00 -0.77 -0.40 0.00 -0.26 0.00 0.00 57.72 56.29 1ba9 n HIS 110 Cb 0.00 -0.62 -0.03 0.00 1.12 0.00 0.00 29.99 30.46 1ba9 n HIS 110 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ba9 s SER 111 N 2.08 5.12 0.57 0.41 0.15 -1.23 -1.30 113.70 119.50 1ba9 s SER 111 Ca 0.11 1.19 0.31 0.00 0.70 0.00 0.00 55.95 58.27 1ba9 s SER 111 Cb 0.05 -2.51 1.74 0.00 -1.71 0.00 0.00 66.02 63.59 1ba9 s SER 111 CO 0.00 -2.33 2.18 0.16 1.20 0.00 0.00 173.24 174.45 1ba9 h ILE 112 N 7.24 0.44 -2.34 6.45 3.07 -0.97 -3.41 117.51 127.98 1ba9 h ILE 112 Ca -0.31 -0.26 -0.55 0.00 1.55 0.00 0.00 64.86 65.30 1ba9 h ILE 112 Cb 1.22 1.18 0.01 0.00 -0.27 0.00 0.00 36.82 38.96 1ba9 h ILE 112 CO 1.10 0.05 1.27 -0.63 -1.05 0.00 0.00 178.15 178.89 1ba9 s ILE 113 N -4.32 3.12 0.00 0.16 -1.09 -1.26 -0.38 121.20 117.44 1ba9 s ILE 113 Ca -0.04 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 1ba9 s ILE 113 Cb 0.14 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1ba9 s ILE 113 CO 0.54 -0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.83 1ba9 n GLY 114 N 4.80 0.62 3.95 6.18 0.00 -0.09 -5.02 105.19 115.63 1ba9 n GLY 114 Ca 0.22 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 1ba9 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 s ARG 115 N -1.59 2.86 -0.24 1.61 1.81 0.49 -4.39 118.95 119.50 1ba9 s ARG 115 Ca 0.00 -1.22 -0.05 0.00 -1.72 0.00 0.00 55.73 52.74 1ba9 s ARG 115 Cb 0.00 -2.66 -0.01 0.00 -0.45 0.00 0.00 34.95 31.83 1ba9 s ARG 115 CO 0.00 -0.06 -0.00 0.99 -0.68 0.00 0.00 175.30 175.54 1ba9 s THR 116 N -2.30 3.59 -0.20 0.02 2.01 -0.57 -0.46 115.64 117.74 1ba9 s THR 116 Ca 0.47 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 1ba9 s THR 116 Cb -0.08 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 1ba9 s THR 116 CO 0.30 0.33 0.19 -0.22 -0.69 0.00 0.00 174.62 174.53 1ba9 s LEU 117 N 1.49 4.20 -0.01 4.42 0.20 0.87 -0.16 118.68 129.70 1ba9 s LEU 117 Ca 0.05 0.29 0.02 0.00 0.69 0.00 0.00 54.13 55.18 1ba9 s LEU 117 Cb -0.15 -2.18 -0.00 0.00 -0.43 0.00 0.00 46.19 43.43 1ba9 s LEU 117 CO -0.01 0.13 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.43 1ba9 s VAL 118 N 0.53 0.49 0.04 1.68 1.01 -0.32 -0.41 120.40 123.43 1ba9 s VAL 118 Ca 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 1ba9 s VAL 118 Cb -0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1ba9 s VAL 118 CO 0.01 0.15 0.19 0.54 0.00 0.00 0.00 175.10 175.99 1ba9 s VAL 119 N -0.05 5.32 0.21 2.92 0.11 -0.07 -1.90 120.40 126.94 1ba9 s VAL 119 Ca 0.01 -0.36 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 1ba9 s VAL 119 Cb -0.04 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1ba9 s VAL 119 CO -0.00 0.19 0.02 -1.00 -3.33 0.00 0.00 175.10 170.97 1ba9 s HIS 120 N -1.45 2.82 0.01 1.54 3.76 0.31 -2.05 115.29 120.23 1ba9 s HIS 120 Ca 0.32 -0.16 -0.12 0.00 -0.15 0.00 0.00 55.06 54.95 1ba9 s HIS 120 Cb -0.13 -1.32 -0.07 0.00 1.11 0.00 0.00 32.58 32.17 1ba9 s HIS 120 CO 0.25 0.55 1.01 1.49 -0.85 0.00 0.00 174.74 177.19 1ba9 h GLU 121 N 2.34 -0.42 -7.54 1.40 4.22 -0.55 -3.32 114.58 110.70 1ba9 h GLU 121 Ca -0.46 0.03 -0.46 0.00 0.08 0.00 0.00 59.36 58.55 1ba9 h GLU 121 Cb 1.22 0.10 0.12 0.00 0.50 0.00 0.00 28.75 30.69 1ba9 h GLU 121 CO 0.59 -0.28 0.33 0.15 -2.18 0.00 0.00 179.01 177.62 1ba9 s LYS 122 N -3.65 1.28 0.69 1.92 -0.14 0.11 -4.58 119.74 115.37 1ba9 s LYS 122 Ca -0.06 0.20 -0.16 0.00 -1.36 0.00 0.00 55.97 54.59 1ba9 s LYS 122 Cb 0.01 -1.86 0.02 0.00 -1.68 0.00 0.00 37.83 34.31 1ba9 s LYS 122 CO 0.19 -2.08 1.20 0.00 -0.76 0.00 0.00 175.35 173.90 1ba9 s ALA 123 N -3.38 2.26 0.25 5.17 0.00 -1.17 -0.88 121.76 124.00 1ba9 s ALA 123 Ca 0.64 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 53.18 1ba9 s ALA 123 Cb -0.13 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1ba9 s ALA 123 CO 0.52 -1.65 0.97 0.16 0.00 0.00 0.00 175.76 175.76 1ba9 s ASP 124 N -1.99 7.58 0.15 0.00 1.47 -1.26 -3.95 116.67 118.67 1ba9 s ASP 124 Ca 0.74 2.01 0.20 0.00 1.18 0.00 0.00 52.55 56.68 1ba9 s ASP 124 Cb -0.29 -2.61 0.83 0.00 -0.34 0.00 0.00 42.92 40.51 1ba9 s ASP 124 CO 0.42 0.10 1.62 0.47 0.68 0.00 0.00 175.17 178.46 1ba9 n ASP 125 N 1.43 0.39 -4.17 2.11 9.92 0.64 -4.91 116.55 121.95 1ba9 n ASP 125 Ca -0.02 0.59 -0.32 0.00 -0.53 0.00 0.00 54.79 54.52 1ba9 n ASP 125 Cb 0.47 -0.67 -0.05 0.00 -0.64 0.00 0.00 41.12 40.23 1ba9 n ASP 125 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1ba9 n LEU 126 N -1.92 -1.66 0.00 0.64 7.99 -1.26 -1.02 117.00 119.77 1ba9 n LEU 126 Ca 0.03 -1.09 0.00 0.00 -0.01 0.00 0.00 56.01 54.94 1ba9 n LEU 126 Cb 0.21 -1.99 0.00 0.00 -0.11 0.00 0.00 43.42 41.54 1ba9 n LEU 126 CO 0.18 0.37 0.00 0.61 -1.51 0.00 0.00 177.39 177.03 1ba9 n GLY 127 N -1.85 2.91 0.39 -0.72 0.00 -1.24 -4.38 105.19 100.30 1ba9 n GLY 127 Ca -0.15 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.06 1ba9 n GLY 127 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ba9 h LYS 128 N 1.67 0.15 -0.11 1.61 1.79 -1.41 -0.35 116.57 119.92 1ba9 h LYS 128 Ca 0.00 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1ba9 h LYS 128 Cb 0.00 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1ba9 h LYS 128 CO 0.00 0.10 0.13 0.78 -1.08 0.00 0.00 179.45 179.38 1ba9 h GLY 129 N 0.16 0.00 -4.91 3.86 0.00 -1.90 -3.46 103.07 96.82 1ba9 h GLY 129 Ca 0.31 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.36 1ba9 h GLY 129 CO -0.05 0.00 -0.60 0.61 0.00 0.00 0.00 176.54 176.50 1ba9 n GLY 130 N -1.37 -0.21 3.25 4.60 0.00 -0.14 -5.00 105.19 106.33 1ba9 n GLY 130 Ca -0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ba9 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ba9 s ASN 131 N -3.93 -0.09 0.26 1.61 6.03 -1.26 -5.02 114.94 112.54 1ba9 s ASN 131 Ca 0.09 -0.29 -0.06 0.00 -1.03 0.00 0.00 52.86 51.57 1ba9 s ASN 131 Cb -0.04 0.37 0.49 0.00 -3.03 0.00 0.00 41.25 39.04 1ba9 s ASN 131 CO 0.58 -0.67 1.60 -0.33 -2.03 0.00 0.00 177.10 176.26 1ba9 h GLU 132 N 3.02 0.04 0.00 3.55 5.08 -1.96 0.22 114.58 124.53 1ba9 h GLU 132 Ca -0.32 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1ba9 h GLU 132 Cb 1.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ba9 h GLU 132 CO 0.48 0.03 0.00 0.94 -1.00 0.00 0.00 179.01 179.46 1ba9 n GLN 133 N -5.46 0.00 -0.39 2.33 0.00 -1.26 0.20 117.38 112.80 1ba9 n GLN 133 Ca 0.16 0.63 -0.04 0.00 -0.00 0.00 0.00 57.00 57.75 1ba9 n GLN 133 Cb 0.53 -1.45 -0.01 0.00 0.00 0.00 0.00 30.24 29.32 1ba9 n GLN 133 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1ba9 h SER 134 N 0.00 -1.66 0.00 1.69 0.87 -1.83 0.67 113.55 113.29 1ba9 h SER 134 Ca 0.00 0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1ba9 h SER 134 Cb 0.00 0.82 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1ba9 h SER 134 CO 0.00 -0.27 0.00 0.41 -0.53 0.00 0.00 176.83 176.44 1ba9 n THR 135 N -5.40 0.00 -0.00 2.23 -1.04 0.75 0.39 114.28 111.20 1ba9 n THR 135 Ca 0.07 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1ba9 n THR 135 Cb 0.35 -0.60 -0.01 0.00 -1.82 0.00 0.00 70.33 68.26 1ba9 n THR 135 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ba9 n LYS 136 N -0.93 3.28 0.00 -2.82 4.81 0.13 -0.32 118.16 122.32 1ba9 n LYS 136 Ca 0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1ba9 n LYS 136 Cb 0.06 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.09 1ba9 n LYS 136 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ba9 n THR 137 N -1.96 0.00 -0.16 3.15 -2.24 0.22 -4.41 114.28 108.88 1ba9 n THR 137 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1ba9 n THR 137 Cb 0.46 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1ba9 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ba9 n GLY 138 N 1.41 0.91 2.32 3.38 0.00 0.16 -4.30 105.19 109.06 1ba9 n GLY 138 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1ba9 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ba9 n ASN 139 N 0.22 -4.49 0.00 1.61 5.15 -1.26 -0.26 115.26 116.23 1ba9 n ASN 139 Ca 0.00 0.27 0.10 0.00 -0.60 0.00 0.00 54.58 54.35 1ba9 n ASN 139 Cb 0.00 -3.94 0.56 0.00 -0.53 0.00 0.00 39.78 35.87 1ba9 n ASN 139 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ba9 n ALA 140 N -0.41 2.16 -0.44 5.20 0.00 -1.25 -4.84 120.51 120.92 1ba9 n ALA 140 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1ba9 n ALA 140 Cb 0.58 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1ba9 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ba9 n GLY 141 N 0.35 -0.73 3.71 0.00 0.00 -1.26 0.04 105.19 107.30 1ba9 n GLY 141 Ca 0.12 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1ba9 n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ba9 s SER 142 N -4.00 3.99 -0.76 1.61 1.04 -1.26 -4.48 113.70 109.83 1ba9 s SER 142 Ca 0.00 2.40 -0.21 0.00 0.48 0.00 0.00 55.95 58.62 1ba9 s SER 142 Cb 0.00 -2.59 0.10 0.00 0.10 0.00 0.00 66.02 63.62 1ba9 s SER 142 CO 0.00 -2.41 1.01 -0.13 0.98 0.00 0.00 173.24 172.69 1ba9 s ARG 143 N -3.94 3.30 0.16 4.02 0.52 -1.26 -0.27 118.95 121.48 1ba9 s ARG 143 Ca 0.75 -1.24 -0.16 0.00 -0.52 0.00 0.00 55.73 54.56 1ba9 s ARG 143 Cb -0.30 -4.51 0.09 0.00 0.52 0.00 0.00 34.95 30.75 1ba9 s ARG 143 CO 0.47 -1.78 1.73 -0.07 0.02 0.00 0.00 175.30 175.67 1ba9 h LEU 144 N 10.87 0.03 -8.11 2.53 -0.00 -1.68 -3.44 115.31 115.50 1ba9 h LEU 144 Ca -0.11 0.06 -0.13 0.00 -0.00 0.00 0.00 57.88 57.70 1ba9 h LEU 144 Cb 1.05 0.08 -0.17 0.00 -0.00 0.00 0.00 40.66 41.62 1ba9 h LEU 144 CO 1.15 0.05 -0.66 0.00 -0.00 0.00 0.00 178.44 178.98 1ba9 s ALA 145 N -6.16 0.30 -0.05 1.53 0.00 -1.23 -4.16 121.76 112.00 1ba9 s ALA 145 Ca -0.13 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1ba9 s ALA 145 Cb 0.13 0.24 0.02 0.00 0.00 0.00 0.00 23.12 23.51 1ba9 s ALA 145 CO 0.71 -0.31 0.12 0.00 0.00 0.00 0.00 175.76 176.28 1ba9 s GLY 147 N 0.52 -0.15 0.00 0.00 0.00 0.46 -0.58 107.32 107.57 1ba9 s GLY 147 Ca -0.04 0.26 -0.12 0.00 0.00 0.00 0.00 44.72 44.81 1ba9 s GLY 147 CO -0.02 0.04 0.37 0.54 0.00 0.00 0.00 173.10 174.03 1ba9 s VAL 148 N -1.68 5.12 -0.21 1.40 0.11 -1.26 -0.09 120.40 123.79 1ba9 s VAL 148 Ca -0.11 0.65 -0.19 0.00 -2.93 0.00 0.00 61.98 59.40 1ba9 s VAL 148 Cb -0.04 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1ba9 s VAL 148 CO 0.02 0.52 0.57 -0.63 -3.33 0.00 0.00 175.10 172.25 1ba9 s ILE 149 N -1.15 5.06 0.33 7.04 1.01 0.40 -3.94 121.20 129.95 1ba9 s ILE 149 Ca 0.25 1.04 0.01 0.00 0.00 0.00 0.00 60.65 61.95 1ba9 s ILE 149 Cb -0.15 -3.88 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 1ba9 s ILE 149 CO 0.13 0.13 0.41 0.61 0.00 0.00 0.00 174.94 176.23 1ba9 n GLY 150 N 3.92 2.39 3.76 6.18 0.00 -0.01 -0.91 105.19 120.52 1ba9 n GLY 150 Ca -0.03 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 1ba9 n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ba9 s ILE 151 N -2.96 3.51 0.32 -0.61 -1.09 -1.26 -0.47 121.20 118.64 1ba9 s ILE 151 Ca 0.31 1.51 -0.27 0.00 -2.23 0.00 0.00 60.65 59.97 1ba9 s ILE 151 Cb -0.00 -3.96 -0.09 0.00 -1.58 0.00 0.00 42.46 36.83 1ba9 s ILE 151 CO 0.22 0.35 1.02 0.00 -1.23 0.00 0.00 174.94 175.30 1ba9 s ALA 152 N -1.18 3.25 -2.03 9.38 0.00 0.06 -4.68 121.76 126.55 1ba9 s ALA 152 Ca 0.45 0.70 0.32 0.00 0.00 0.00 0.00 51.96 53.42 1ba9 s ALA 152 Cb -0.31 -3.25 1.85 0.00 0.00 0.00 0.00 23.12 21.41 1ba9 s ALA 152 CO 0.40 -0.02 2.20 1.04 0.00 0.00 0.00 175.76 179.38