#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue9 n SER 2 N 0.00 0.00 -4.53 1.61 7.64 -1.26 -5.08 113.62 112.00 1ue9 n SER 2 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1ue9 n SER 2 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1ue9 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ue9 s SER 3 N 0.00 6.34 -0.02 6.43 1.04 -1.26 -4.23 113.70 122.01 1ue9 s SER 3 Ca 0.00 -0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.17 1ue9 s SER 3 Cb 0.00 -2.32 -0.00 0.00 0.10 0.00 0.00 66.02 63.80 1ue9 s SER 3 CO 0.00 -0.74 0.02 0.61 0.98 0.00 0.00 173.24 174.10 1ue9 n GLY 4 N 4.97 0.87 3.15 7.32 0.00 -1.26 -5.07 105.19 115.17 1ue9 n GLY 4 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.79 1ue9 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ue9 s SER 5 N -3.01 -0.14 -0.50 1.61 0.15 -1.26 -5.00 113.70 105.55 1ue9 s SER 5 Ca 0.01 0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.74 1ue9 s SER 5 Cb -0.00 1.09 0.18 0.00 -1.71 0.00 0.00 66.02 65.58 1ue9 s SER 5 CO 0.01 -0.03 0.41 -1.20 1.20 0.00 0.00 173.24 173.64 1ue9 n SER 6 N 5.17 0.70 -3.65 5.45 7.64 -1.26 -4.64 113.62 123.03 1ue9 n SER 6 Ca 0.05 -2.67 0.01 0.00 1.01 0.00 0.00 58.87 57.27 1ue9 n SER 6 Cb 0.57 -0.62 -0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1ue9 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ue9 s GLY 7 N -0.55 -0.33 -0.08 0.23 0.00 -1.26 -5.11 107.32 100.22 1ue9 s GLY 7 Ca 0.31 0.49 -0.30 0.00 0.00 0.00 0.00 44.72 45.22 1ue9 s GLY 7 CO -0.18 0.99 1.18 -0.54 0.00 0.00 0.00 173.10 174.55 1ue9 s GLU 8 N -2.45 4.34 -0.01 2.90 2.02 -1.26 -4.88 118.70 119.37 1ue9 s GLU 8 Ca 0.16 1.63 -0.03 0.00 0.02 0.00 0.00 54.97 56.76 1ue9 s GLU 8 Cb 0.03 -3.58 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1ue9 s GLU 8 CO -0.02 -0.47 0.18 0.42 0.02 0.00 0.00 175.26 175.39 1ue9 s ILE 9 N 2.37 5.42 -0.03 -1.63 -1.09 -1.26 -0.01 121.20 124.96 1ue9 s ILE 9 Ca 0.55 -0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.81 1ue9 s ILE 9 Cb -0.23 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1ue9 s ILE 9 CO 0.20 0.32 -0.07 0.00 -1.23 0.00 0.00 174.94 174.16 1ue9 s ALA 10 N -1.33 0.79 -0.31 9.38 0.00 -1.10 -3.00 121.76 126.18 1ue9 s ALA 10 Ca 0.28 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.83 1ue9 s ALA 10 Cb -0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1ue9 s ALA 10 CO 0.19 0.09 0.45 -1.14 0.00 0.00 0.00 175.76 175.35 1ue9 s GLN 11 N 0.42 3.80 0.26 0.00 0.74 -0.15 -3.27 119.66 121.46 1ue9 s GLN 11 Ca -0.06 -0.06 -0.31 0.00 0.05 0.00 0.00 55.36 54.98 1ue9 s GLN 11 Cb -0.10 -3.74 -0.12 0.00 1.10 0.00 0.00 33.01 30.14 1ue9 s GLN 11 CO 0.01 -0.48 1.54 0.28 -0.55 0.00 0.00 175.29 176.10 1ue9 n VAL 12 N 5.27 0.81 -0.00 1.34 0.31 -1.24 -0.72 118.33 124.10 1ue9 n VAL 12 Ca -0.06 -0.20 0.03 0.00 -0.01 0.00 0.00 64.34 64.09 1ue9 n VAL 12 Cb 0.50 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.61 1ue9 n VAL 12 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1ue9 n THR 13 N 2.35 0.01 -3.80 2.52 -2.24 0.41 -4.00 114.28 109.53 1ue9 n THR 13 Ca 0.11 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 1ue9 n THR 13 Cb 0.34 0.32 -0.13 0.00 -2.10 0.00 0.00 70.33 68.76 1ue9 n THR 13 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ue9 s SER 14 N -2.70 -0.13 0.47 3.42 0.01 0.22 -4.91 113.70 110.09 1ue9 s SER 14 Ca -0.02 0.28 -0.23 0.00 1.31 0.00 0.00 55.95 57.28 1ue9 s SER 14 Cb 0.04 0.24 -0.07 0.00 0.21 0.00 0.00 66.02 66.43 1ue9 s SER 14 CO 0.24 -0.08 1.24 0.00 0.41 0.00 0.00 173.24 175.04 1ue9 s ALA 15 N 0.48 3.00 -0.14 1.44 0.00 -1.26 -4.50 121.76 120.78 1ue9 s ALA 15 Ca -0.03 1.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 1ue9 s ALA 15 Cb -0.05 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.67 1ue9 s ALA 15 CO -0.02 -0.87 0.34 -0.47 0.00 0.00 0.00 175.76 174.74 1ue9 s TYR 16 N -1.42 -0.48 -0.30 0.00 5.04 0.22 -4.90 117.35 115.50 1ue9 s TYR 16 Ca 0.64 1.07 -0.03 0.00 -2.44 0.00 0.00 57.07 56.30 1ue9 s TYR 16 Cb -0.33 0.17 0.04 0.00 0.35 0.00 0.00 41.96 42.19 1ue9 s TYR 16 CO 0.41 -0.29 0.02 0.54 -1.34 0.00 0.00 175.55 174.89 1ue9 s VAL 17 N 1.25 3.26 0.91 3.14 0.11 -1.26 0.23 120.40 128.04 1ue9 s VAL 17 Ca -0.09 -1.21 -0.15 0.00 -2.93 0.00 0.00 61.98 57.60 1ue9 s VAL 17 Cb -0.09 -2.82 -0.07 0.00 -1.53 0.00 0.00 36.38 31.88 1ue9 s VAL 17 CO -0.10 -0.06 -0.12 0.00 -3.33 0.00 0.00 175.10 171.48 1ue9 n ALA 18 N 4.70 -3.70 -2.70 1.54 0.00 -1.26 -4.93 120.51 114.15 1ue9 n ALA 18 Ca -0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 53.44 52.73 1ue9 n ALA 18 Cb 0.45 -1.50 0.11 0.00 0.00 0.00 0.00 19.45 18.51 1ue9 n ALA 18 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ue9 n SER 19 N 1.11 -0.92 0.00 0.00 3.41 -1.26 -4.96 113.62 111.00 1ue9 n SER 19 Ca 0.04 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 1ue9 n SER 19 Cb 0.54 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 1ue9 n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ue9 n GLY 20 N -1.36 4.80 0.04 5.00 0.00 -1.26 -5.07 105.19 107.34 1ue9 n GLY 20 Ca -0.13 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.09 1ue9 n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ue9 n SER 21 N 0.00 3.01 -2.67 1.61 7.64 -1.26 -4.70 113.62 117.25 1ue9 n SER 21 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 1ue9 n SER 21 Cb 0.00 0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 63.92 1ue9 n SER 21 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ue9 n GLU 22 N -2.28 2.80 -4.57 1.43 0.28 -1.26 -5.04 120.64 112.00 1ue9 n GLU 22 Ca -0.13 -4.29 -0.23 0.00 -0.16 0.00 0.00 57.16 52.36 1ue9 n GLU 22 Cb 0.74 -2.03 -0.14 0.00 1.43 0.00 0.00 31.44 31.44 1ue9 n GLU 22 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1ue9 s GLN 23 N -3.37 1.17 -0.11 3.44 -0.21 -1.26 -1.73 119.66 117.58 1ue9 s GLN 23 Ca 0.44 -0.72 0.02 0.00 0.02 0.00 0.00 55.36 55.12 1ue9 s GLN 23 Cb 0.38 -1.18 -0.01 0.00 1.00 0.00 0.00 33.01 33.19 1ue9 s GLN 23 CO -0.13 0.31 -0.17 -1.17 -2.12 0.00 0.00 175.29 172.01 1ue9 s LEU 24 N -0.84 2.50 0.30 2.90 2.96 -1.15 -4.62 118.68 120.73 1ue9 s LEU 24 Ca 0.05 -0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 53.27 1ue9 s LEU 24 Cb -0.07 -1.54 -0.09 0.00 0.50 0.00 0.00 46.19 44.99 1ue9 s LEU 24 CO 0.01 0.18 1.08 -0.94 -1.32 0.00 0.00 176.35 175.35 1ue9 s SER 25 N 0.27 7.21 0.15 3.68 1.04 -1.26 -4.48 113.70 120.31 1ue9 s SER 25 Ca -0.12 2.21 0.07 0.00 0.48 0.00 0.00 55.95 58.59 1ue9 s SER 25 Cb -0.16 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.30 1ue9 s SER 25 CO 0.06 -0.18 -0.05 -0.76 0.98 0.00 0.00 173.24 173.29 1ue9 s LEU 26 N -1.63 3.17 -0.00 2.42 1.43 0.61 -4.91 118.68 119.76 1ue9 s LEU 26 Ca 0.46 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1ue9 s LEU 26 Cb -0.30 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1ue9 s LEU 26 CO 0.38 0.12 -0.02 0.00 0.23 0.00 0.00 176.35 177.06 1ue9 s ALA 27 N -1.55 0.16 -0.31 4.21 0.00 -1.26 0.70 121.76 123.71 1ue9 s ALA 27 Ca 0.25 -0.10 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 1ue9 s ALA 27 Cb -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1ue9 s ALA 27 CO 0.16 0.03 1.36 -1.25 0.00 0.00 0.00 175.76 176.07 1ue9 s PRO 28 N -0.10 3.84 0.00 0.00 0.04 -1.26 -2.88 135.00 134.64 1ue9 s PRO 28 Ca 0.00 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.28 1ue9 s PRO 28 Cb -0.01 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1ue9 s PRO 28 CO -0.00 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.22 1ue9 n GLY 29 N 4.50 1.54 3.77 0.56 0.00 -1.26 -5.04 105.19 109.26 1ue9 n GLY 29 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1ue9 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ue9 s GLN 30 N -0.04 2.19 -0.01 1.61 -0.21 -1.14 -5.05 119.66 117.01 1ue9 s GLN 30 Ca 0.00 -2.34 0.03 0.00 0.02 0.00 0.00 55.36 53.07 1ue9 s GLN 30 Cb 0.00 -1.60 -0.00 0.00 1.00 0.00 0.00 33.01 32.41 1ue9 s GLN 30 CO 0.00 -0.36 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.19 1ue9 s LEU 31 N -3.90 1.95 0.09 2.90 1.43 -1.26 -3.73 118.68 116.16 1ue9 s LEU 31 Ca 0.10 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1ue9 s LEU 31 Cb 0.02 -0.57 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 1ue9 s LEU 31 CO 0.06 0.12 -0.13 -0.63 0.23 0.00 0.00 176.35 176.00 1ue9 s ILE 32 N -0.12 1.09 -0.26 -0.59 1.01 -1.20 0.13 121.20 121.26 1ue9 s ILE 32 Ca 0.02 -1.47 -0.06 0.00 0.00 0.00 0.00 60.65 59.14 1ue9 s ILE 32 Cb -0.06 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1ue9 s ILE 32 CO -0.00 -0.36 0.04 -0.22 0.00 0.00 0.00 174.94 174.40 1ue9 s LEU 33 N -2.07 3.41 -0.01 2.97 2.96 -0.44 -2.72 118.68 122.78 1ue9 s LEU 33 Ca 0.02 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 53.17 1ue9 s LEU 33 Cb -0.07 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.72 1ue9 s LEU 33 CO 0.02 -0.09 1.41 -0.63 -1.32 0.00 0.00 176.35 175.74 1ue9 s ILE 34 N 1.53 3.73 -0.11 6.68 -1.09 0.99 -0.42 121.20 132.51 1ue9 s ILE 34 Ca 0.05 1.09 -0.04 0.00 -2.23 0.00 0.00 60.65 59.51 1ue9 s ILE 34 Cb -0.16 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1ue9 s ILE 34 CO 0.01 -0.01 -0.13 0.18 -1.23 0.00 0.00 174.94 173.75 1ue9 n LEU 35 N 5.57 1.35 -4.08 2.97 4.77 0.45 -4.17 117.00 123.86 1ue9 n LEU 35 Ca 0.13 0.09 -0.16 0.00 -0.03 0.00 0.00 56.01 56.05 1ue9 n LEU 35 Cb 0.44 -0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1ue9 n LEU 35 CO 0.59 0.35 -0.42 -0.75 -1.33 0.00 0.00 177.39 175.82 1ue9 s LYS 36 N -2.21 0.65 -0.06 3.23 2.47 0.11 -4.97 119.74 118.96 1ue9 s LYS 36 Ca -0.15 -0.71 0.03 0.00 -1.56 0.00 0.00 55.97 53.58 1ue9 s LYS 36 Cb 0.05 -0.54 0.01 0.00 -1.46 0.00 0.00 37.83 35.89 1ue9 s LYS 36 CO 0.21 0.12 -0.14 0.15 0.16 0.00 0.00 175.35 175.84 1ue9 s LYS 37 N -1.31 1.77 0.19 4.03 1.02 -1.26 0.15 119.74 124.33 1ue9 s LYS 37 Ca -0.04 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.46 1ue9 s LYS 37 Cb -0.08 -1.48 -0.04 0.00 -0.52 0.00 0.00 37.83 35.71 1ue9 s LYS 37 CO 0.01 0.12 0.35 1.21 -0.92 0.00 0.00 175.35 176.12 1ue9 s ASN 38 N 0.39 6.35 0.00 2.83 2.47 0.34 -4.98 114.94 122.35 1ue9 s ASN 38 Ca -0.10 0.26 0.20 0.00 0.42 0.00 0.00 52.86 53.63 1ue9 s ASN 38 Cb -0.14 -1.95 1.06 0.00 -1.45 0.00 0.00 41.25 38.77 1ue9 s ASN 38 CO 0.03 -0.02 1.70 1.07 -3.72 0.00 0.00 177.10 176.16 1ue9 n THR 39 N -0.80 0.05 -0.09 -5.21 5.66 -1.26 -3.13 114.28 109.49 1ue9 n THR 39 Ca -0.06 -0.08 -0.11 0.00 -3.05 0.00 0.00 64.05 60.75 1ue9 n THR 39 Cb 0.54 -0.14 -0.15 0.00 -1.55 0.00 0.00 70.33 69.03 1ue9 n THR 39 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1ue9 n SER 40 N -0.54 0.46 0.00 1.09 7.64 -1.26 -4.99 113.62 116.02 1ue9 n SER 40 Ca 0.15 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.08 1ue9 n SER 40 Cb 0.13 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 1ue9 n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ue9 n GLY 41 N 1.80 1.05 3.71 0.23 0.00 -1.18 -5.10 105.19 105.69 1ue9 n GLY 41 Ca -0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1ue9 n GLY 41 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ue9 s TRP 42 N -0.71 3.61 -0.02 1.61 0.52 -1.26 -2.61 118.94 120.08 1ue9 s TRP 42 Ca 0.00 1.62 0.05 0.00 0.02 0.00 0.00 56.10 57.79 1ue9 s TRP 42 Cb 0.00 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 29.12 1ue9 s TRP 42 CO 0.00 -0.23 -0.16 -1.58 0.02 0.00 0.00 176.95 175.00 1ue9 s TRP 43 N 1.13 2.65 -0.57 -1.98 0.52 0.13 -0.50 118.94 120.32 1ue9 s TRP 43 Ca 0.53 -0.20 -0.07 0.00 0.02 0.00 0.00 56.10 56.38 1ue9 s TRP 43 Cb -0.22 -1.58 0.15 0.00 -1.15 0.00 0.00 33.47 30.67 1ue9 s TRP 43 CO 0.27 0.20 0.43 -1.14 0.02 0.00 0.00 176.95 176.72 1ue9 s GLN 44 N -0.94 2.62 0.49 4.98 0.74 0.40 -1.04 119.66 126.90 1ue9 s GLN 44 Ca 0.13 -2.14 0.01 0.00 0.05 0.00 0.00 55.36 53.41 1ue9 s GLN 44 Cb -0.11 -3.90 -0.00 0.00 1.10 0.00 0.00 33.01 30.10 1ue9 s GLN 44 CO 0.02 -1.19 0.04 0.41 -0.55 0.00 0.00 175.29 174.02 1ue9 n GLY 45 N 4.25 3.47 3.00 2.59 0.00 -1.17 0.08 105.19 117.41 1ue9 n GLY 45 Ca 0.01 -2.31 -0.29 0.00 0.00 0.00 0.00 46.02 43.44 1ue9 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ue9 s GLU 46 N -3.79 2.06 0.01 1.61 2.12 0.44 -2.89 118.70 118.25 1ue9 s GLU 46 Ca 0.05 -0.48 -0.36 0.00 0.36 0.00 0.00 54.97 54.54 1ue9 s GLU 46 Cb 0.00 -1.89 -0.15 0.00 0.26 0.00 0.00 34.13 32.35 1ue9 s GLU 46 CO 0.04 -0.19 1.57 -0.11 -0.54 0.00 0.00 175.26 176.03 1ue9 n LEU 47 N 4.62 2.45 -1.64 2.70 0.00 -0.69 -1.33 117.00 123.11 1ue9 n LEU 47 Ca -0.17 1.08 -0.12 0.00 0.00 0.00 0.00 56.01 56.80 1ue9 n LEU 47 Cb 0.50 -1.27 0.10 0.00 0.00 0.00 0.00 43.42 42.76 1ue9 n LEU 47 CO 0.21 -0.57 0.91 0.00 0.00 0.00 0.00 177.39 177.93 1ue9 n GLN 48 N 3.95 1.73 -3.66 1.96 1.13 0.35 -4.47 117.38 118.36 1ue9 n GLN 48 Ca 0.20 -1.61 -0.27 0.00 -1.94 0.00 0.00 57.00 53.38 1ue9 n GLN 48 Cb 0.22 -1.64 -0.17 0.00 0.11 0.00 0.00 30.24 28.76 1ue9 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ue9 s ALA 49 N -1.77 0.66 0.25 -1.58 0.00 -1.26 -4.81 121.76 113.25 1ue9 s ALA 49 Ca 0.30 -0.46 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 1ue9 s ALA 49 Cb 0.26 -1.09 -0.16 0.00 0.00 0.00 0.00 23.12 22.13 1ue9 s ALA 49 CO 0.06 -1.16 0.54 0.54 0.00 0.00 0.00 175.76 175.74 1ue9 n ARG 50 N 5.18 0.22 -2.70 0.00 1.74 -1.26 -4.86 116.66 114.99 1ue9 n ARG 50 Ca -0.08 0.08 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1ue9 n ARG 50 Cb 0.48 -1.15 0.07 0.00 -1.02 0.00 0.00 32.46 30.85 1ue9 n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ue9 n GLY 51 N 1.92 -0.73 4.09 -0.13 0.00 -1.26 -5.01 105.19 104.07 1ue9 n GLY 51 Ca 0.16 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1ue9 n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ue9 n LYS 52 N 1.23 0.00 -3.90 1.61 3.00 -1.26 -4.78 118.16 114.06 1ue9 n LYS 52 Ca 0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.24 1ue9 n LYS 52 Cb 0.69 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.60 1ue9 n LYS 52 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1ue9 s LYS 53 N 0.00 0.32 -0.62 1.64 2.47 -1.26 -5.08 119.74 117.21 1ue9 s LYS 53 Ca 0.00 -0.34 -0.35 0.00 -1.56 0.00 0.00 55.97 53.73 1ue9 s LYS 53 Cb 0.00 0.13 -0.16 0.00 -1.46 0.00 0.00 37.83 36.34 1ue9 s LYS 53 CO 0.00 -0.06 2.38 0.54 0.16 0.00 0.00 175.35 178.36 1ue9 n ARG 54 N 1.93 0.46 -2.06 4.03 5.12 -1.26 -4.84 116.66 120.05 1ue9 n ARG 54 Ca -0.20 0.08 -0.41 0.00 -1.93 0.00 0.00 57.85 55.39 1ue9 n ARG 54 Cb 0.56 -2.05 -0.02 0.00 -1.16 0.00 0.00 32.46 29.79 1ue9 n ARG 54 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ue9 s GLN 55 N 7.36 4.30 -0.29 5.56 1.11 -1.26 -4.95 119.66 131.49 1ue9 s GLN 55 Ca 1.19 2.26 -0.15 0.00 0.01 0.00 0.00 55.36 58.68 1ue9 s GLN 55 Cb -1.05 -3.09 0.14 0.00 -1.01 0.00 0.00 33.01 28.00 1ue9 s GLN 55 CO 0.50 -0.31 0.88 0.21 0.01 0.00 0.00 175.29 176.58 1ue9 s LYS 56 N -1.12 0.44 0.01 2.91 2.36 -1.26 -1.70 119.74 121.38 1ue9 s LYS 56 Ca 0.54 0.91 -0.12 0.00 -2.55 0.00 0.00 55.97 54.75 1ue9 s LYS 56 Cb -0.41 0.34 0.04 0.00 -1.05 0.00 0.00 37.83 36.75 1ue9 s LYS 56 CO 0.49 -0.12 0.57 0.41 1.55 0.00 0.00 175.35 178.25 1ue9 n GLY 57 N 4.50 0.53 3.52 5.54 0.00 -1.14 -4.79 105.19 113.35 1ue9 n GLY 57 Ca -0.15 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1ue9 n GLY 57 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ue9 s TRP 58 N -2.87 3.23 0.26 1.61 0.52 -0.71 -3.06 118.94 117.92 1ue9 s TRP 58 Ca 0.13 -0.24 0.10 0.00 0.02 0.00 0.00 56.10 56.11 1ue9 s TRP 58 Cb -0.01 -2.52 -0.05 0.00 -1.15 0.00 0.00 33.47 29.75 1ue9 s TRP 58 CO 0.00 -0.40 -0.16 -0.59 0.02 0.00 0.00 176.95 175.82 1ue9 s PHE 59 N 1.75 2.05 0.05 -1.98 -0.12 -0.21 -2.95 117.98 116.58 1ue9 s PHE 59 Ca 0.07 -0.47 -0.30 0.00 -0.05 0.00 0.00 56.93 56.17 1ue9 s PHE 59 Cb -0.18 -0.96 -0.05 0.00 -0.63 0.00 0.00 43.02 41.20 1ue9 s PHE 59 CO 0.11 0.54 1.17 -1.25 -0.05 0.00 0.00 175.22 175.73 1ue9 s PRO 60 N -3.59 4.45 0.51 1.99 0.04 -1.26 -0.69 135.00 136.45 1ue9 s PRO 60 Ca 0.27 1.72 0.32 0.00 0.04 0.00 0.00 61.00 63.35 1ue9 s PRO 60 Cb -0.02 -3.37 1.24 0.00 0.04 0.00 0.00 34.50 32.40 1ue9 s PRO 60 CO 0.12 -0.23 1.93 0.00 0.04 0.00 0.00 177.00 178.86 1ue9 h ALA 61 N 6.81 1.00 0.00 8.56 0.00 -1.84 -2.26 119.26 131.53 1ue9 h ALA 61 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ue9 h ALA 61 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ue9 h ALA 61 CO 0.80 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.48 1ue9 n SER 62 N -3.01 0.12 0.02 0.00 7.64 -1.26 -0.70 113.62 116.42 1ue9 n SER 62 Ca 0.01 0.54 0.07 0.00 1.01 0.00 0.00 58.87 60.50 1ue9 n SER 62 Cb 0.32 -0.56 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 1ue9 n SER 62 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ue9 n HIS 63 N -1.64 0.40 -4.19 1.43 -0.00 -0.85 -4.81 115.22 105.56 1ue9 n HIS 63 Ca 0.02 0.12 -0.26 0.00 -0.00 0.00 0.00 57.72 57.60 1ue9 n HIS 63 Cb 0.10 -0.76 -0.06 0.00 -0.00 0.00 0.00 29.99 29.26 1ue9 n HIS 63 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1ue9 s VAL 64 N -3.28 2.01 -0.07 1.59 -7.23 0.12 0.15 120.40 113.70 1ue9 s VAL 64 Ca -0.06 -1.71 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 1ue9 s VAL 64 Cb 0.11 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 34.37 1ue9 s VAL 64 CO 0.85 0.00 0.15 -0.75 -0.31 0.00 0.00 175.10 175.05 1ue9 s LYS 65 N -3.96 0.06 0.23 4.82 2.20 0.10 -4.74 119.74 118.44 1ue9 s LYS 65 Ca 0.35 0.46 -0.32 0.00 -0.36 0.00 0.00 55.97 56.10 1ue9 s LYS 65 Cb 0.03 -0.23 -0.13 0.00 -1.51 0.00 0.00 37.83 35.99 1ue9 s LYS 65 CO 0.19 -0.23 1.42 1.28 -0.36 0.00 0.00 175.35 177.66 1ue9 n LEU 66 N 4.72 3.07 -0.98 5.43 4.77 -1.26 -0.97 117.00 131.78 1ue9 n LEU 66 Ca -0.16 1.13 0.05 0.00 -0.03 0.00 0.00 56.01 57.00 1ue9 n LEU 66 Cb 0.51 -1.42 0.20 0.00 -2.33 0.00 0.00 43.42 40.37 1ue9 n LEU 66 CO 0.12 -0.48 0.62 0.18 -1.33 0.00 0.00 177.39 176.50 1ue9 n LEU 67 N 2.31 2.81 0.00 2.23 4.77 -1.16 -4.83 117.00 123.11 1ue9 n LEU 67 Ca 0.12 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 1ue9 n LEU 67 Cb 0.31 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1ue9 n LEU 67 CO 0.63 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1ue9 n GLY 68 N 0.75 2.45 3.77 -0.72 0.00 -1.26 -5.08 105.19 105.11 1ue9 n GLY 68 Ca 0.14 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1ue9 n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ue9 s PRO 69 N -0.86 0.19 -0.13 1.61 0.04 -1.26 -4.92 135.00 129.67 1ue9 s PRO 69 Ca 0.00 -0.07 -0.08 0.00 0.04 0.00 0.00 61.00 60.89 1ue9 s PRO 69 Cb 0.00 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 32.82 1ue9 s PRO 69 CO 0.00 -2.77 0.31 0.45 0.04 0.00 0.00 177.00 175.03 1ue9 s SER 70 N -4.28 -0.35 0.11 6.66 0.15 -1.26 -5.16 113.70 109.57 1ue9 s SER 70 Ca 0.70 0.66 -0.02 0.00 0.70 0.00 0.00 55.95 57.99 1ue9 s SER 70 Cb -0.09 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1ue9 s SER 70 CO 0.54 -0.15 0.06 -0.55 1.20 0.00 0.00 173.24 174.33 1ue9 s SER 71 N 0.95 0.32 -1.30 5.45 0.15 -1.26 -5.07 113.70 112.95 1ue9 s SER 71 Ca -0.06 -1.13 -0.18 0.00 0.70 0.00 0.00 55.95 55.28 1ue9 s SER 71 Cb -0.07 0.29 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1ue9 s SER 71 CO -0.07 -0.71 1.84 1.21 1.20 0.00 0.00 173.24 176.71 1ue9 n GLU 72 N -0.06 2.92 -2.85 5.44 2.13 -1.26 -4.57 120.64 122.39 1ue9 n GLU 72 Ca -0.08 -3.05 -0.02 0.00 0.66 0.00 0.00 57.16 54.67 1ue9 n GLU 72 Cb 0.63 -3.48 -0.02 0.00 0.27 0.00 0.00 31.44 28.84 1ue9 n GLU 72 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1ue9 n ARG 73 N 8.01 -2.80 -5.08 5.31 5.12 -1.26 -4.99 116.66 120.97 1ue9 n ARG 73 Ca 0.49 2.30 -0.32 0.00 -1.93 0.00 0.00 57.85 58.39 1ue9 n ARG 73 Cb 0.45 -3.34 -0.16 0.00 -1.16 0.00 0.00 32.46 28.26 1ue9 n ARG 73 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ue9 s ALA 74 N -0.75 2.36 0.01 7.54 0.00 -1.26 -5.01 121.76 124.65 1ue9 s ALA 74 Ca -0.11 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1ue9 s ALA 74 Cb 0.01 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.23 1ue9 s ALA 74 CO 0.45 0.37 -0.06 0.43 0.00 0.00 0.00 175.76 176.95 1ue9 n SER 75 N 3.12 0.84 0.00 0.00 7.64 -1.26 -5.13 113.62 118.83 1ue9 n SER 75 Ca -0.18 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1ue9 n SER 75 Cb 0.52 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1ue9 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ue9 n GLY 76 N 2.97 2.23 3.77 0.23 0.00 -1.26 -5.06 105.19 108.08 1ue9 n GLY 76 Ca -0.05 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 1ue9 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ue9 s PRO 77 N -3.37 0.23 -0.07 1.61 0.04 -1.26 -5.08 135.00 127.11 1ue9 s PRO 77 Ca 0.00 -0.06 -0.00 0.00 0.04 0.00 0.00 61.00 60.98 1ue9 s PRO 77 Cb 0.00 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.80 1ue9 s PRO 77 CO 0.00 -2.75 -0.02 -1.12 0.04 0.00 0.00 177.00 173.16 1ue9 s SER 78 N -4.28 1.40 0.65 6.66 0.01 -1.26 -5.14 113.70 111.75 1ue9 s SER 78 Ca 0.69 -0.11 -0.13 0.00 1.31 0.00 0.00 55.95 57.71 1ue9 s SER 78 Cb -0.09 -0.47 -0.01 0.00 0.21 0.00 0.00 66.02 65.66 1ue9 s SER 78 CO 0.54 -0.14 1.06 -0.44 0.41 0.00 0.00 173.24 174.66 1ue9 s SER 79 N 1.60 5.58 0.00 2.44 0.01 -1.26 -5.36 113.70 116.71 1ue9 s SER 79 Ca -0.00 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1ue9 s SER 79 Cb -0.13 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1ue9 s SER 79 CO -0.04 -1.31 0.00 0.61 0.41 0.00 0.00 173.24 172.92