#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ue9 s SER 2 N 0.00 -0.68 0.12 1.61 0.15 -1.26 -5.17 113.70 108.48 1ue9 s SER 2 Ca 0.00 1.19 -0.11 0.00 0.70 0.00 0.00 55.95 57.74 1ue9 s SER 2 Cb 0.00 1.29 0.01 0.00 -1.71 0.00 0.00 66.02 65.60 1ue9 s SER 2 CO 0.00 -0.22 0.28 -0.55 1.20 0.00 0.00 173.24 173.95 1ue9 s SER 3 N 1.93 0.01 0.01 5.45 0.15 -1.26 -5.08 113.70 114.90 1ue9 s SER 3 Ca -0.08 -0.64 -0.00 0.00 0.70 0.00 0.00 55.95 55.93 1ue9 s SER 3 Cb -0.09 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1ue9 s SER 3 CO -0.16 -0.82 0.01 0.61 1.20 0.00 0.00 173.24 174.08 1ue9 n GLY 4 N -0.15 -4.56 3.77 9.45 0.00 -1.26 -4.96 105.19 107.47 1ue9 n GLY 4 Ca -0.13 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1ue9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ue9 s SER 5 N -0.35 5.36 -0.18 1.61 1.04 -1.26 -5.03 113.70 114.89 1ue9 s SER 5 Ca -0.01 2.12 -0.01 0.00 0.48 0.00 0.00 55.95 58.53 1ue9 s SER 5 Cb 0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1ue9 s SER 5 CO 0.02 -1.46 -0.13 -0.44 0.98 0.00 0.00 173.24 172.22 1ue9 s SER 6 N -2.14 3.77 -0.33 7.02 0.01 -1.26 -5.09 113.70 115.68 1ue9 s SER 6 Ca 0.70 -0.48 -0.24 0.00 1.31 0.00 0.00 55.95 57.24 1ue9 s SER 6 Cb -0.23 -1.61 0.01 0.00 0.21 0.00 0.00 66.02 64.40 1ue9 s SER 6 CO 0.34 0.03 0.84 -0.83 0.41 0.00 0.00 173.24 174.04 1ue9 s GLY 7 N 1.13 1.65 0.20 3.44 0.00 -1.26 -5.00 107.32 107.49 1ue9 s GLY 7 Ca 0.01 -0.44 -0.32 0.00 0.00 0.00 0.00 44.72 43.96 1ue9 s GLY 7 CO -0.04 1.86 1.34 1.18 0.00 0.00 0.00 173.10 177.44 1ue9 n GLU 8 N 6.43 1.72 -4.20 2.90 4.71 -1.26 -4.75 120.64 126.19 1ue9 n GLU 8 Ca 0.05 0.61 -0.33 0.00 -0.01 0.00 0.00 57.16 57.48 1ue9 n GLU 8 Cb 0.48 -2.23 -0.08 0.00 -1.01 0.00 0.00 31.44 28.60 1ue9 n GLU 8 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1ue9 s ILE 9 N 0.03 4.47 -0.03 -3.67 -1.09 -1.26 -1.36 121.20 118.29 1ue9 s ILE 9 Ca 0.72 -0.46 0.03 0.00 -2.23 0.00 0.00 60.65 58.70 1ue9 s ILE 9 Cb -0.73 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1ue9 s ILE 9 CO 0.49 0.39 -0.10 0.00 -1.23 0.00 0.00 174.94 174.50 1ue9 s ALA 10 N -1.11 0.92 -0.26 9.38 0.00 -1.15 -2.06 121.76 127.48 1ue9 s ALA 10 Ca 0.20 -0.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1ue9 s ALA 10 Cb -0.12 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 1ue9 s ALA 10 CO 0.11 0.15 0.17 -1.14 0.00 0.00 0.00 175.76 175.05 1ue9 s GLN 11 N 0.20 3.98 0.24 0.00 0.74 -0.01 -3.06 119.66 121.76 1ue9 s GLN 11 Ca -0.03 -0.31 -0.31 0.00 0.05 0.00 0.00 55.36 54.76 1ue9 s GLN 11 Cb -0.09 -3.59 -0.11 0.00 1.10 0.00 0.00 33.01 30.32 1ue9 s GLN 11 CO 0.01 -0.08 1.60 0.08 -0.55 0.00 0.00 175.29 176.35 1ue9 s VAL 12 N 1.45 2.26 -0.03 1.34 1.01 -1.21 -0.30 120.40 124.91 1ue9 s VAL 12 Ca 0.07 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.30 1ue9 s VAL 12 Cb -0.15 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 1ue9 s VAL 12 CO 0.08 0.03 0.04 0.35 0.00 0.00 0.00 175.10 175.60 1ue9 n THR 13 N 3.01 0.22 -4.27 3.92 -2.24 0.21 -3.73 114.28 111.40 1ue9 n THR 13 Ca 0.11 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 1ue9 n THR 13 Cb 0.37 -0.51 -0.16 0.00 -2.10 0.00 0.00 70.33 67.94 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 -3.26 1.08 0.42 3.42 0.01 0.20 -4.87 113.70 110.71 1ue9 s SER 14 Ca -0.02 -0.16 -0.25 0.00 1.31 0.00 0.00 55.95 56.82 1ue9 s SER 14 Cb 0.02 -0.48 -0.08 0.00 0.21 0.00 0.00 66.02 65.69 1ue9 s SER 14 CO 0.19 -0.02 1.30 0.00 0.41 0.00 0.00 173.24 175.12 1ue9 s ALA 15 N 0.72 3.20 0.10 1.44 0.00 -1.26 -4.64 121.76 121.32 1ue9 s ALA 15 Ca -0.11 1.22 0.05 0.00 0.00 0.00 0.00 51.96 53.13 1ue9 s ALA 15 Cb -0.13 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1ue9 s ALA 15 CO 0.01 -0.86 -0.14 -0.47 0.00 0.00 0.00 175.76 174.30 1ue9 s TYR 16 N -1.29 1.30 -0.46 0.00 5.04 0.15 -4.96 117.35 117.13 1ue9 s TYR 16 Ca 0.59 -0.54 0.03 0.00 -2.44 0.00 0.00 57.07 54.70 1ue9 s TYR 16 Cb -0.38 -0.70 0.14 0.00 0.35 0.00 0.00 41.96 41.37 1ue9 s TYR 16 CO 0.48 0.10 0.25 0.08 -1.34 0.00 0.00 175.55 175.12 1ue9 s VAL 17 N -1.95 1.67 0.48 3.14 1.01 -1.26 -3.37 120.40 120.13 1ue9 s VAL 17 Ca 0.05 -2.76 -0.21 0.00 0.00 0.00 0.00 61.98 59.06 1ue9 s VAL 17 Cb -0.06 -2.16 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 1ue9 s VAL 17 CO 0.02 -0.89 0.73 0.00 0.00 0.00 0.00 175.10 174.96 1ue9 n ALA 18 N 3.40 -0.71 -0.07 5.51 0.00 -1.26 -4.94 120.51 122.43 1ue9 n ALA 18 Ca 0.09 0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.58 1ue9 n ALA 18 Cb 0.34 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 1ue9 n ALA 18 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1ue9 h SER 19 N 0.82 0.00 0.00 0.00 0.02 -1.97 -3.49 113.55 108.93 1ue9 h SER 19 Ca -0.44 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1ue9 h SER 19 Cb 1.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.92 1ue9 h SER 19 CO 0.52 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 177.60 1ue9 n GLY 20 N 1.62 1.17 0.00 -3.77 0.00 -1.26 -5.10 105.19 97.86 1ue9 n GLY 20 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ue9 n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ue9 n SER 21 N 0.00 0.00 -0.63 1.61 2.88 -1.26 -4.91 113.62 111.31 1ue9 n SER 21 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1ue9 n SER 21 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1ue9 n SER 21 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1ue9 n GLU 22 N 0.00 -0.88 -2.60 -1.46 1.02 -1.26 -4.87 120.64 110.60 1ue9 n GLU 22 Ca 0.00 0.73 -0.28 0.00 -0.02 0.00 0.00 57.16 57.59 1ue9 n GLU 22 Cb 0.00 -4.66 -0.00 0.00 -0.02 0.00 0.00 31.44 26.75 1ue9 n GLU 22 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1ue9 s GLN 23 N -2.44 3.57 -0.08 3.49 -0.21 -1.26 0.21 119.66 122.95 1ue9 s GLN 23 Ca 0.00 0.28 0.03 0.00 0.02 0.00 0.00 55.36 55.68 1ue9 s GLN 23 Cb 0.00 -2.35 0.01 0.00 1.00 0.00 0.00 33.01 31.67 1ue9 s GLN 23 CO 0.00 -0.22 -0.16 -1.17 -2.12 0.00 0.00 175.29 171.63 1ue9 s LEU 24 N -4.68 1.78 0.62 2.90 2.96 -0.72 -4.35 118.68 117.19 1ue9 s LEU 24 Ca 0.48 -0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 53.85 1ue9 s LEU 24 Cb -0.10 -1.00 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 1ue9 s LEU 24 CO 0.44 0.07 1.11 -0.44 -1.32 0.00 0.00 176.35 176.21 1ue9 s SER 25 N 0.58 5.33 -0.01 3.68 0.01 -1.26 -4.41 113.70 117.62 1ue9 s SER 25 Ca -0.16 2.04 0.05 0.00 1.31 0.00 0.00 55.95 59.20 1ue9 s SER 25 Cb -0.16 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 1ue9 s SER 25 CO 0.05 -1.48 -0.16 -0.76 0.41 0.00 0.00 173.24 171.30 1ue9 s LEU 26 N -4.52 2.05 0.01 2.44 1.43 -1.22 -4.97 118.68 113.91 1ue9 s LEU 26 Ca 0.69 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 1ue9 s LEU 26 Cb -0.21 -0.82 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 1ue9 s LEU 26 CO 0.37 0.18 -0.17 0.00 0.23 0.00 0.00 176.35 176.97 1ue9 s ALA 27 N -0.43 1.39 -0.36 4.21 0.00 -1.26 0.33 121.76 125.63 1ue9 s ALA 27 Ca 0.06 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 1ue9 s ALA 27 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1ue9 s ALA 27 CO -0.00 0.32 1.39 -1.25 0.00 0.00 0.00 175.76 176.21 1ue9 s PRO 28 N -0.73 3.70 0.00 0.00 0.04 -1.26 -2.92 135.00 133.83 1ue9 s PRO 28 Ca 0.05 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.17 1ue9 s PRO 28 Cb -0.07 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1ue9 s PRO 28 CO 0.00 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 176.05 1ue9 n GLY 29 N 4.80 1.74 3.64 0.56 0.00 -1.24 -5.04 105.19 109.65 1ue9 n GLY 29 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.19 2.02 0.05 1.61 -0.21 -1.15 -5.04 119.66 116.75 1ue9 s GLN 30 Ca 0.00 -2.22 0.06 0.00 0.02 0.00 0.00 55.36 53.22 1ue9 s GLN 30 Cb 0.00 -1.32 -0.03 0.00 1.00 0.00 0.00 33.01 32.66 1ue9 s GLN 30 CO 0.00 -0.27 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.21 1ue9 s LEU 31 N -3.74 2.19 0.04 2.90 1.43 -1.26 -3.34 118.68 116.90 1ue9 s LEU 31 Ca 0.21 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1ue9 s LEU 31 Cb 0.05 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.48 1ue9 s LEU 31 CO 0.11 0.07 -0.05 -0.63 0.23 0.00 0.00 176.35 176.08 1ue9 s ILE 32 N -0.91 0.29 -0.27 -0.59 1.01 -1.17 0.75 121.20 120.31 1ue9 s ILE 32 Ca 0.04 -1.15 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 1ue9 s ILE 32 Cb -0.09 -0.63 -0.01 0.00 0.01 0.00 0.00 42.46 41.75 1ue9 s ILE 32 CO 0.02 -0.56 0.08 -0.22 0.00 0.00 0.00 174.94 174.26 1ue9 s LEU 33 N -1.80 3.65 -0.33 2.97 0.20 1.00 -2.93 118.68 121.45 1ue9 s LEU 33 Ca -0.09 -0.46 -0.29 0.00 0.69 0.00 0.00 54.13 53.98 1ue9 s LEU 33 Cb -0.07 -1.90 -0.01 0.00 -0.43 0.00 0.00 46.19 43.78 1ue9 s LEU 33 CO -0.02 -0.12 1.58 -0.63 -0.29 0.00 0.00 176.35 176.87 1ue9 s ILE 34 N 1.56 3.74 -0.27 6.68 -1.09 -0.46 -0.31 121.20 131.04 1ue9 s ILE 34 Ca 0.05 0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 59.13 1ue9 s ILE 34 Cb -0.16 -3.90 -0.13 0.00 -1.58 0.00 0.00 42.46 36.69 1ue9 s ILE 34 CO 0.03 -0.51 -0.30 0.18 -1.23 0.00 0.00 174.94 173.11 1ue9 n LEU 35 N 9.09 2.14 -4.18 2.97 4.77 -0.23 -4.31 117.00 127.25 1ue9 n LEU 35 Ca 0.19 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.32 1ue9 n LEU 35 Cb 0.47 -0.85 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 1ue9 n LEU 35 CO 0.68 0.63 -0.39 -0.75 -1.33 0.00 0.00 177.39 176.23 1ue9 s LYS 36 N -2.50 0.87 0.30 3.23 2.36 0.25 -4.99 119.74 119.26 1ue9 s LYS 36 Ca -0.38 -1.35 0.03 0.00 -2.55 0.00 0.00 55.97 51.73 1ue9 s LYS 36 Cb 0.13 -0.28 -0.06 0.00 -1.05 0.00 0.00 37.83 36.57 1ue9 s LYS 36 CO 0.52 0.00 0.06 0.15 1.55 0.00 0.00 175.35 177.62 1ue9 s LYS 37 N -3.78 1.55 0.10 4.03 1.02 -1.26 0.41 119.74 121.82 1ue9 s LYS 37 Ca 0.12 -1.85 -0.00 0.00 0.02 0.00 0.00 55.97 54.27 1ue9 s LYS 37 Cb 0.05 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.61 1ue9 s LYS 37 CO -0.04 -0.19 -0.01 1.21 -0.92 0.00 0.00 175.35 175.40 1ue9 s ASN 38 N -3.42 0.66 -0.68 2.83 2.47 -1.05 -4.86 114.94 110.89 1ue9 s ASN 38 Ca 0.36 -1.09 -0.04 0.00 0.42 0.00 0.00 52.86 52.51 1ue9 s ASN 38 Cb 0.08 0.20 0.10 0.00 -1.45 0.00 0.00 41.25 40.18 1ue9 s ASN 38 CO 0.14 -0.61 2.62 0.35 -3.72 0.00 0.00 177.10 175.88 1ue9 n THR 39 N -0.03 3.84 0.00 -5.21 -2.24 -1.26 -3.83 114.28 105.55 1ue9 n THR 39 Ca -0.10 -3.45 0.00 0.00 -2.27 0.00 0.00 64.05 58.23 1ue9 n THR 39 Cb 0.62 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 1ue9 n THR 39 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ue9 n SER 40 N 0.95 0.00 0.00 3.42 2.88 -1.26 -5.03 113.62 114.58 1ue9 n SER 40 Ca 0.52 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 1ue9 n SER 40 Cb 0.46 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 1ue9 n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 41 N -1.03 0.65 3.60 0.46 0.00 -1.25 -5.01 105.19 102.61 1ue9 n GLY 41 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 2.26 -0.08 1.61 0.52 -1.26 -0.49 118.94 121.51 1ue9 s TRP 42 Ca 0.00 0.66 -0.02 0.00 0.02 0.00 0.00 56.10 56.76 1ue9 s TRP 42 Cb 0.00 -4.26 -0.03 0.00 -1.15 0.00 0.00 33.47 28.02 1ue9 s TRP 42 CO 0.00 -2.21 0.03 -1.58 0.02 0.00 0.00 176.95 173.21 1ue9 s TRP 43 N 5.74 3.24 -0.64 -1.98 0.51 0.50 -2.52 118.94 123.80 1ue9 s TRP 43 Ca 0.66 0.24 -0.10 0.00 -2.12 0.00 0.00 56.10 54.78 1ue9 s TRP 43 Cb -0.16 -1.80 0.16 0.00 -0.81 0.00 0.00 33.47 30.87 1ue9 s TRP 43 CO 0.33 0.52 0.52 -1.14 -0.51 0.00 0.00 176.95 176.67 1ue9 s GLN 44 N -1.03 2.92 0.24 4.98 0.74 0.17 0.20 119.66 127.87 1ue9 s GLN 44 Ca 0.15 -2.19 0.01 0.00 0.05 0.00 0.00 55.36 53.38 1ue9 s GLN 44 Cb -0.12 -4.08 -0.00 0.00 1.10 0.00 0.00 33.01 29.91 1ue9 s GLN 44 CO 0.04 -1.23 0.03 0.41 -0.55 0.00 0.00 175.29 173.99 1ue9 n GLY 45 N 4.27 3.78 3.10 2.59 0.00 -1.15 0.87 105.19 118.66 1ue9 n GLY 45 Ca 0.03 -2.17 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.88 2.24 -0.14 1.61 2.12 0.57 -2.96 118.70 119.27 1ue9 s GLU 46 Ca 0.05 -0.60 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 1ue9 s GLU 46 Cb 0.00 -1.77 -0.06 0.00 0.26 0.00 0.00 34.13 32.57 1ue9 s GLU 46 CO 0.03 0.09 2.07 -1.17 -0.54 0.00 0.00 175.26 175.74 1ue9 s LEU 47 N 0.54 3.81 -0.27 2.70 0.20 0.12 -0.00 118.68 125.77 1ue9 s LEU 47 Ca -0.16 2.10 0.01 0.00 0.69 0.00 0.00 54.13 56.77 1ue9 s LEU 47 Cb -0.17 -3.52 0.32 0.00 -0.43 0.00 0.00 46.19 42.39 1ue9 s LEU 47 CO 0.06 -1.60 1.65 0.00 -0.29 0.00 0.00 176.35 176.17 1ue9 n GLN 48 N 8.26 1.73 -3.32 1.98 1.13 0.23 -4.31 117.38 123.08 1ue9 n GLN 48 Ca 0.25 -1.64 -0.26 0.00 -1.94 0.00 0.00 57.00 53.42 1ue9 n GLN 48 Cb 0.44 -1.64 -0.08 0.00 0.11 0.00 0.00 30.24 29.07 1ue9 n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ue9 n ALA 49 N -0.19 3.14 0.00 -1.58 0.00 -1.24 -4.67 120.51 115.97 1ue9 n ALA 49 Ca 0.32 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.79 1ue9 n ALA 49 Cb 0.96 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1ue9 n ALA 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ue9 n ARG 50 N 1.29 0.00 -2.65 0.00 3.00 -1.26 -5.03 116.66 112.00 1ue9 n ARG 50 Ca 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 58.00 1ue9 n ARG 50 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 32.46 32.96 1ue9 n ARG 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ue9 n GLY 51 N -0.12 2.02 0.88 5.14 0.00 -1.26 -4.86 105.19 106.99 1ue9 n GLY 51 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.15 0.00 -3.90 1.61 4.81 -1.26 -5.08 118.16 114.19 1ue9 n LYS 52 Ca 0.12 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.22 1ue9 n LYS 52 Cb 0.80 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.72 1ue9 n LYS 52 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1ue9 s LYS 53 N -2.00 2.13 -0.81 1.64 2.47 -1.26 -5.05 119.74 116.86 1ue9 s LYS 53 Ca 0.00 -1.54 -0.26 0.00 -1.56 0.00 0.00 55.97 52.62 1ue9 s LYS 53 Cb 0.00 -3.28 0.04 0.00 -1.46 0.00 0.00 37.83 33.13 1ue9 s LYS 53 CO 0.00 -0.80 1.30 1.03 0.16 0.00 0.00 175.35 177.03 1ue9 s ARG 54 N 1.15 3.29 0.23 4.03 1.81 -1.26 -4.82 118.95 123.39 1ue9 s ARG 54 Ca 0.01 -0.54 -0.31 0.00 -1.72 0.00 0.00 55.73 53.18 1ue9 s ARG 54 Cb -0.21 -4.50 -0.11 0.00 -0.45 0.00 0.00 34.95 29.69 1ue9 s ARG 54 CO -0.03 -2.13 1.58 -0.65 -0.68 0.00 0.00 175.30 173.38 1ue9 s GLN 55 N 5.37 4.18 -0.16 3.54 1.11 -1.26 -4.86 119.66 127.58 1ue9 s GLN 55 Ca 0.37 2.46 -0.08 0.00 0.01 0.00 0.00 55.36 58.11 1ue9 s GLN 55 Cb -0.07 -3.09 0.06 0.00 -1.01 0.00 0.00 33.01 28.90 1ue9 s GLN 55 CO 0.08 -0.60 0.38 0.21 0.01 0.00 0.00 175.29 175.37 1ue9 s LYS 56 N 0.32 0.36 0.00 2.91 2.36 -1.26 0.11 119.74 124.54 1ue9 s LYS 56 Ca 0.67 0.75 0.00 0.00 -2.55 0.00 0.00 55.97 54.84 1ue9 s LYS 56 Cb -0.46 -0.03 0.00 0.00 -1.05 0.00 0.00 37.83 36.29 1ue9 s LYS 56 CO 0.39 -0.16 0.00 0.41 1.55 0.00 0.00 175.35 177.54 1ue9 n GLY 57 N 4.30 -1.20 3.59 5.54 0.00 -1.16 -4.76 105.19 111.50 1ue9 n GLY 57 Ca -0.23 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.61 3.23 0.15 1.61 0.52 0.56 -2.91 118.94 119.49 1ue9 s TRP 58 Ca 0.00 0.21 0.07 0.00 0.02 0.00 0.00 56.10 56.40 1ue9 s TRP 58 Cb 0.00 -2.51 -0.04 0.00 -1.15 0.00 0.00 33.47 29.77 1ue9 s TRP 58 CO 0.00 -0.24 -0.15 -0.59 0.02 0.00 0.00 176.95 175.99 1ue9 s PHE 59 N 1.93 1.54 0.10 -1.98 -0.12 0.13 -1.75 117.98 117.84 1ue9 s PHE 59 Ca 0.11 -0.55 -0.30 0.00 -0.05 0.00 0.00 56.93 56.14 1ue9 s PHE 59 Cb -0.16 -0.78 -0.06 0.00 -0.63 0.00 0.00 43.02 41.39 1ue9 s PHE 59 CO 0.11 0.22 1.15 -1.25 -0.05 0.00 0.00 175.22 175.39 1ue9 s PRO 60 N -2.92 4.50 0.48 1.99 0.04 -1.26 0.19 135.00 138.02 1ue9 s PRO 60 Ca 0.13 1.73 0.27 0.00 0.04 0.00 0.00 61.00 63.18 1ue9 s PRO 60 Cb -0.04 -3.33 0.99 0.00 0.04 0.00 0.00 34.50 32.17 1ue9 s PRO 60 CO 0.04 -0.12 1.85 0.00 0.04 0.00 0.00 177.00 178.81 1ue9 h ALA 61 N 6.14 1.00 0.00 8.56 0.00 -1.12 -2.49 119.26 131.34 1ue9 h ALA 61 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ue9 h ALA 61 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ue9 h ALA 61 CO 0.77 0.14 0.00 0.43 0.00 0.00 0.00 179.25 180.60 1ue9 n SER 62 N -3.22 0.37 0.03 0.00 7.64 -1.26 -0.30 113.62 116.87 1ue9 n SER 62 Ca 0.01 0.65 0.05 0.00 1.01 0.00 0.00 58.87 60.59 1ue9 n SER 62 Cb 0.40 -0.71 -0.09 0.00 -1.01 0.00 0.00 64.21 62.81 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 -1.97 0.64 -4.30 1.43 -0.00 -0.94 -4.80 115.22 105.28 1ue9 n HIS 63 Ca 0.00 0.20 -0.28 0.00 -0.00 0.00 0.00 57.72 57.64 1ue9 n HIS 63 Cb 0.08 -0.90 -0.05 0.00 -0.00 0.00 0.00 29.99 29.11 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 -3.16 1.65 -0.03 1.59 -7.23 0.59 0.67 120.40 114.48 1ue9 s VAL 64 Ca -0.04 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1ue9 s VAL 64 Cb 0.10 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.67 1ue9 s VAL 64 CO 0.83 0.00 0.02 -1.59 -0.31 0.00 0.00 175.10 174.05 1ue9 s LYS 65 N -4.01 0.13 0.40 4.82 -2.85 0.59 -4.76 119.74 114.06 1ue9 s LYS 65 Ca 0.25 0.14 -0.27 0.00 -1.00 0.00 0.00 55.97 55.09 1ue9 s LYS 65 Cb 0.01 -0.37 -0.10 0.00 -2.06 0.00 0.00 37.83 35.31 1ue9 s LYS 65 CO 0.15 -0.16 1.47 1.28 0.10 0.00 0.00 175.35 178.19 1ue9 n LEU 66 N 4.19 4.91 -1.51 2.77 4.77 -1.26 -0.83 117.00 130.05 1ue9 n LEU 66 Ca -0.27 1.19 0.10 0.00 -0.03 0.00 0.00 56.01 57.00 1ue9 n LEU 66 Cb 0.50 -1.62 0.35 0.00 -2.33 0.00 0.00 43.42 40.32 1ue9 n LEU 66 CO 0.22 0.05 0.80 0.18 -1.33 0.00 0.00 177.39 177.32 1ue9 n LEU 67 N 0.22 4.55 -3.91 2.23 4.77 -0.87 -4.70 117.00 119.28 1ue9 n LEU 67 Ca 0.03 -2.36 -0.29 0.00 -0.03 0.00 0.00 56.01 53.36 1ue9 n LEU 67 Cb 0.40 -0.55 -0.13 0.00 -2.33 0.00 0.00 43.42 40.80 1ue9 n LEU 67 CO 0.62 0.85 -0.14 -0.83 -1.33 0.00 0.00 177.39 176.56 1ue9 s GLY 68 N -0.96 2.55 0.11 -0.72 0.00 -1.26 -4.89 107.32 102.15 1ue9 s GLY 68 Ca 0.50 -3.41 -0.10 0.00 0.00 0.00 0.00 44.72 41.71 1ue9 s GLY 68 CO 0.26 1.08 1.28 -0.56 0.00 0.00 0.00 173.10 175.15 1ue9 h PRO 69 N 6.14 0.62 0.00 2.90 0.13 -2.01 -3.46 132.00 136.32 1ue9 h PRO 69 Ca 0.00 -0.60 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1ue9 h PRO 69 Cb 0.85 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ue9 h PRO 69 CO 0.68 1.21 0.00 0.45 -0.23 0.00 0.00 178.00 180.12 1ue9 n SER 70 N -3.85 -1.85 -4.95 1.44 2.88 -1.26 -5.13 113.62 100.91 1ue9 n SER 70 Ca -0.08 0.61 -0.24 0.00 -1.33 0.00 0.00 58.87 57.83 1ue9 n SER 70 Cb 0.82 1.85 -0.02 0.00 -0.75 0.00 0.00 64.21 66.11 1ue9 n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ue9 s SER 71 N -3.49 6.33 -0.89 -3.46 0.15 -1.26 -5.05 113.70 106.03 1ue9 s SER 71 Ca 0.00 0.32 -0.02 0.00 0.70 0.00 0.00 55.95 56.95 1ue9 s SER 71 Cb 0.00 -1.97 0.22 0.00 -1.71 0.00 0.00 66.02 62.56 1ue9 s SER 71 CO 0.00 -0.15 0.77 -1.61 1.20 0.00 0.00 173.24 173.45 1ue9 s GLU 72 N -3.89 3.25 0.51 5.44 2.02 -1.26 -4.71 118.70 120.06 1ue9 s GLU 72 Ca 0.38 -3.27 0.00 0.00 0.02 0.00 0.00 54.97 52.09 1ue9 s GLU 72 Cb -0.10 -3.94 0.00 0.00 0.10 0.00 0.00 34.13 30.19 1ue9 s GLU 72 CO 0.32 -1.26 0.00 0.54 0.02 0.00 0.00 175.26 174.87 1ue9 n ARG 73 N 2.33 -3.09 -4.11 1.61 1.74 -1.26 -4.97 116.66 108.91 1ue9 n ARG 73 Ca 0.21 2.38 -0.14 0.00 -0.77 0.00 0.00 57.85 59.54 1ue9 n ARG 73 Cb 0.37 -3.69 -0.11 0.00 -1.02 0.00 0.00 32.46 28.00 1ue9 n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ue9 s ALA 74 N -3.62 0.79 0.00 7.54 0.00 -1.26 -4.94 121.76 120.27 1ue9 s ALA 74 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1ue9 s ALA 74 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1ue9 s ALA 74 CO 0.00 -0.01 0.00 0.43 0.00 0.00 0.00 175.76 176.18 1ue9 n SER 75 N 1.16 0.00 0.00 0.00 7.64 -1.26 -4.85 113.62 116.31 1ue9 n SER 75 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.67 1ue9 n SER 75 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.00 -0.05 3.80 0.23 0.00 -1.26 -5.04 105.19 102.87 1ue9 n GLY 76 Ca 0.00 -2.24 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 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 0.00 3.57 0.08 1.61 0.04 -1.26 -4.84 135.00 134.20 1ue9 s PRO 77 Ca 0.00 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1ue9 s PRO 77 Cb 0.00 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1ue9 s PRO 77 CO 0.00 -0.61 0.00 0.43 0.04 0.00 0.00 177.00 176.86 1ue9 n SER 78 N -1.54 -0.75 -4.66 6.66 7.64 -1.26 -5.11 113.62 114.59 1ue9 n SER 78 Ca 0.09 0.42 -0.42 0.00 1.01 0.00 0.00 58.87 59.96 1ue9 n SER 78 Cb 0.53 0.99 -0.03 0.00 -1.01 0.00 0.00 64.21 64.69 1ue9 n SER 78 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ue9 s SER 79 N -2.00 6.69 0.00 6.43 0.01 -1.26 -5.35 113.70 118.21 1ue9 s SER 79 Ca 0.00 2.21 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1ue9 s SER 79 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1ue9 s SER 79 CO 0.00 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.36