#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 6.17 -0.26 1.61 1.04 -1.26 -4.51 113.70 116.50 1ue9 s SER 2 Ca 0.00 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.36 1ue9 s SER 2 Cb 0.00 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1ue9 s SER 2 CO 0.00 -1.40 0.08 -0.24 0.98 0.00 0.00 173.24 172.66 1ue9 n SER 3 N 7.53 -6.70 0.00 7.02 2.88 -1.26 -5.08 113.62 118.01 1ue9 n SER 3 Ca -0.05 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1ue9 n SER 3 Cb 0.45 -4.40 0.00 0.00 -0.75 0.00 0.00 64.21 59.51 1ue9 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ue9 n GLY 4 N 0.39 1.88 3.70 0.46 0.00 -1.26 -5.14 105.19 105.21 1ue9 n GLY 4 Ca 0.02 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1ue9 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ue9 s SER 5 N 0.00 6.57 -0.52 1.61 0.01 -1.26 -4.46 113.70 115.66 1ue9 s SER 5 Ca 0.00 0.68 -0.28 0.00 1.31 0.00 0.00 55.95 57.66 1ue9 s SER 5 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 1ue9 s SER 5 CO 0.00 -0.04 1.58 -0.55 0.41 0.00 0.00 173.24 174.64 1ue9 s SER 6 N 0.80 5.93 1.14 2.44 0.15 -1.26 -4.98 113.70 117.92 1ue9 s SER 6 Ca 0.23 0.53 -0.17 0.00 0.70 0.00 0.00 55.95 57.24 1ue9 s SER 6 Cb -0.15 -2.54 0.24 0.00 -1.71 0.00 0.00 66.02 61.86 1ue9 s SER 6 CO 0.09 -1.82 1.00 0.61 1.20 0.00 0.00 173.24 174.32 1ue9 n GLY 7 N 5.36 -2.30 3.63 9.45 0.00 -1.26 -4.47 105.19 115.60 1ue9 n GLY 7 Ca 0.16 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.20 1ue9 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ue9 s GLU 8 N -5.25 3.93 0.07 1.61 2.02 -1.26 -4.84 118.70 114.98 1ue9 s GLU 8 Ca 0.62 1.42 -0.13 0.00 0.02 0.00 0.00 54.97 56.91 1ue9 s GLU 8 Cb -0.05 -3.91 -0.06 0.00 0.10 0.00 0.00 34.13 30.22 1ue9 s GLU 8 CO 0.46 -1.11 0.44 0.42 0.02 0.00 0.00 175.26 175.50 1ue9 s ILE 9 N 4.46 5.01 -0.04 -1.63 -1.09 -1.26 -0.96 121.20 125.69 1ue9 s ILE 9 Ca 0.60 0.68 0.05 0.00 -2.23 0.00 0.00 60.65 59.75 1ue9 s ILE 9 Cb -0.20 -3.69 -0.01 0.00 -1.58 0.00 0.00 42.46 36.98 1ue9 s ILE 9 CO 0.24 0.37 -0.19 0.00 -1.23 0.00 0.00 174.94 174.13 1ue9 s ALA 10 N -1.31 1.66 -0.41 9.38 0.00 -0.99 -2.62 121.76 127.47 1ue9 s ALA 10 Ca 0.31 -0.79 -0.17 0.00 0.00 0.00 0.00 51.96 51.31 1ue9 s ALA 10 Cb -0.15 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1ue9 s ALA 10 CO 0.17 0.33 0.44 -1.14 0.00 0.00 0.00 175.76 175.56 1ue9 s GLN 11 N -0.10 3.18 0.26 0.00 0.74 0.07 -3.08 119.66 120.72 1ue9 s GLN 11 Ca -0.01 -0.68 -0.31 0.00 0.05 0.00 0.00 55.36 54.40 1ue9 s GLN 11 Cb -0.11 -3.94 -0.13 0.00 1.10 0.00 0.00 33.01 29.93 1ue9 s GLN 11 CO 0.02 -0.81 1.48 0.28 -0.55 0.00 0.00 175.29 175.71 1ue9 n VAL 12 N 5.43 0.94 -0.01 1.34 0.31 -1.23 -1.01 118.33 124.09 1ue9 n VAL 12 Ca -0.07 -0.23 -0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1ue9 n VAL 12 Cb 0.48 -1.66 -0.04 0.00 -0.91 0.00 0.00 33.84 31.71 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 2.06 0.19 -4.29 2.52 -2.24 0.14 -3.64 114.28 109.01 1ue9 n THR 13 Ca 0.11 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.54 1ue9 n THR 13 Cb 0.33 -0.32 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 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 -3.16 0.96 0.33 3.42 0.01 -0.26 -4.83 113.70 110.16 1ue9 s SER 14 Ca -0.02 -0.19 -0.28 0.00 1.31 0.00 0.00 55.95 56.77 1ue9 s SER 14 Cb 0.02 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 66.06 1ue9 s SER 14 CO 0.21 0.07 1.17 0.00 0.41 0.00 0.00 173.24 175.10 1ue9 s ALA 15 N -0.30 3.36 -0.07 1.44 0.00 -1.26 -4.44 121.76 120.49 1ue9 s ALA 15 Ca 0.02 1.00 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 1ue9 s ALA 15 Cb -0.04 -3.38 0.04 0.00 0.00 0.00 0.00 23.12 19.74 1ue9 s ALA 15 CO -0.00 -0.38 0.16 -0.47 0.00 0.00 0.00 175.76 175.08 1ue9 s TYR 16 N -1.24 -0.19 -0.36 0.00 6.14 0.51 -4.92 117.35 117.28 1ue9 s TYR 16 Ca 0.49 0.53 -0.00 0.00 0.64 0.00 0.00 57.07 58.72 1ue9 s TYR 16 Cb -0.33 -0.05 0.09 0.00 0.42 0.00 0.00 41.96 42.09 1ue9 s TYR 16 CO 0.43 -0.17 0.11 0.54 0.64 0.00 0.00 175.55 177.10 1ue9 s VAL 17 N 1.09 2.88 1.02 3.14 0.11 -1.26 0.21 120.40 127.58 1ue9 s VAL 17 Ca -0.08 -2.00 -0.21 0.00 -2.93 0.00 0.00 61.98 56.76 1ue9 s VAL 17 Cb -0.10 -2.94 -0.09 0.00 -1.53 0.00 0.00 36.38 31.71 1ue9 s VAL 17 CO -0.06 -0.53 -0.75 0.00 -3.33 0.00 0.00 175.10 170.44 1ue9 n ALA 18 N 4.49 -4.94 0.00 1.54 0.00 -1.26 -4.95 120.51 115.38 1ue9 n ALA 18 Ca -0.03 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1ue9 n ALA 18 Cb 0.42 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 1.77 0.30 -1.56 0.00 3.41 -1.26 -4.95 113.62 111.32 1ue9 n SER 19 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1ue9 n SER 19 Cb 0.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 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 1.80 -2.74 0.01 5.00 0.00 -1.26 -5.01 105.19 103.00 1ue9 n GLY 20 Ca 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 46.02 45.03 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 4.11 -2.17 1.61 7.64 -1.26 -4.66 113.62 118.89 1ue9 n SER 21 Ca 0.00 -0.01 -0.25 0.00 1.01 0.00 0.00 58.87 59.62 1ue9 n SER 21 Cb 0.00 0.18 0.14 0.00 -1.01 0.00 0.00 64.21 63.51 1ue9 n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ue9 n GLU 22 N -2.38 2.27 -4.26 1.43 4.71 -1.26 -4.93 120.64 116.22 1ue9 n GLU 22 Ca -0.03 -2.84 -0.27 0.00 -0.01 0.00 0.00 57.16 54.01 1ue9 n GLU 22 Cb 0.55 -2.11 -0.09 0.00 -1.01 0.00 0.00 31.44 28.78 1ue9 n GLU 22 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 1ue9 s GLN 23 N -3.17 2.18 -0.06 3.49 -0.21 -1.26 -0.72 119.66 119.91 1ue9 s GLN 23 Ca 0.54 -1.21 0.04 0.00 0.02 0.00 0.00 55.36 54.75 1ue9 s GLN 23 Cb 0.45 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 32.23 1ue9 s GLN 23 CO 0.07 0.44 -0.17 -1.17 -2.12 0.00 0.00 175.29 172.34 1ue9 s LEU 24 N -2.85 1.85 0.35 2.90 2.96 0.18 -4.43 118.68 119.64 1ue9 s LEU 24 Ca 0.26 -0.38 -0.26 0.00 -0.22 0.00 0.00 54.13 53.53 1ue9 s LEU 24 Cb -0.09 -1.01 -0.09 0.00 0.50 0.00 0.00 46.19 45.49 1ue9 s LEU 24 CO 0.16 0.11 1.03 -0.94 -1.32 0.00 0.00 176.35 175.39 1ue9 s SER 25 N 0.32 7.06 0.10 3.68 1.04 -1.26 -4.39 113.70 120.25 1ue9 s SER 25 Ca -0.11 2.04 0.10 0.00 0.48 0.00 0.00 55.95 58.46 1ue9 s SER 25 Cb -0.14 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 1ue9 s SER 25 CO 0.04 -0.28 -0.24 -0.76 0.98 0.00 0.00 173.24 172.98 1ue9 s LEU 26 N -2.16 2.39 0.01 2.42 1.43 0.57 -4.92 118.68 118.42 1ue9 s LEU 26 Ca 0.52 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1ue9 s LEU 26 Cb -0.24 -1.33 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1ue9 s LEU 26 CO 0.30 0.20 -0.10 0.00 0.23 0.00 0.00 176.35 176.98 1ue9 s ALA 27 N -1.01 0.85 -0.30 4.21 0.00 -1.26 0.19 121.76 124.44 1ue9 s ALA 27 Ca 0.14 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 1ue9 s ALA 27 Cb -0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 1ue9 s ALA 27 CO 0.06 0.17 1.35 -1.25 0.00 0.00 0.00 175.76 176.08 1ue9 s PRO 28 N -0.67 3.87 0.00 0.00 0.04 -1.26 -2.83 135.00 134.14 1ue9 s PRO 28 Ca 0.01 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.31 1ue9 s PRO 28 Cb -0.06 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1ue9 s PRO 28 CO 0.00 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1ue9 n GLY 29 N 4.43 1.48 3.80 0.56 0.00 -1.24 -5.03 105.19 109.20 1ue9 n GLY 29 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ue9 n GLY 29 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ue9 n GLN 30 N -0.96 0.70 -4.13 1.61 6.02 -1.13 -5.03 117.38 114.46 1ue9 n GLN 30 Ca 0.00 -3.67 -0.17 0.00 -0.01 0.00 0.00 57.00 53.14 1ue9 n GLN 30 Cb 0.00 0.73 -0.15 0.00 1.02 0.00 0.00 30.24 31.84 1ue9 n GLN 30 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ue9 s LEU 31 N 0.00 1.64 0.11 1.08 1.43 -1.26 -3.57 118.68 118.10 1ue9 s LEU 31 Ca 0.14 -0.09 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1ue9 s LEU 31 Cb -0.01 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.85 1ue9 s LEU 31 CO 0.09 -0.00 -0.16 -0.63 0.23 0.00 0.00 176.35 175.87 1ue9 s ILE 32 N 0.41 1.43 -0.27 -0.59 1.01 -1.18 0.11 121.20 122.12 1ue9 s ILE 32 Ca -0.05 -1.57 -0.08 0.00 0.00 0.00 0.00 60.65 58.95 1ue9 s ILE 32 Cb -0.08 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.93 1ue9 s ILE 32 CO -0.00 -0.25 0.09 -0.22 0.00 0.00 0.00 174.94 174.55 1ue9 s LEU 33 N -2.12 3.62 -0.19 2.97 2.96 -0.10 -2.35 118.68 123.46 1ue9 s LEU 33 Ca 0.06 -0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.36 1ue9 s LEU 33 Cb -0.08 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1ue9 s LEU 33 CO 0.04 -0.08 1.48 -0.63 -1.32 0.00 0.00 176.35 175.84 1ue9 s ILE 34 N 1.60 3.89 -0.16 6.68 -1.09 -0.14 -0.78 121.20 131.21 1ue9 s ILE 34 Ca 0.06 1.04 -0.11 0.00 -2.23 0.00 0.00 60.65 59.41 1ue9 s ILE 34 Cb -0.16 -3.81 -0.07 0.00 -1.58 0.00 0.00 42.46 36.84 1ue9 s ILE 34 CO 0.04 -0.25 -0.25 0.18 -1.23 0.00 0.00 174.94 173.43 1ue9 n LEU 35 N 7.64 1.46 -4.25 2.97 4.77 -0.14 -4.32 117.00 125.13 1ue9 n LEU 35 Ca 0.17 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 56.15 1ue9 n LEU 35 Cb 0.45 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 40.82 1ue9 n LEU 35 CO 0.62 0.14 -0.51 -0.75 -1.33 0.00 0.00 177.39 175.55 1ue9 s LYS 36 N -2.44 1.26 0.35 3.23 2.20 0.25 -4.97 119.74 119.62 1ue9 s LYS 36 Ca -0.25 -0.99 0.07 0.00 -0.36 0.00 0.00 55.97 54.44 1ue9 s LYS 36 Cb 0.08 -1.41 -0.07 0.00 -1.51 0.00 0.00 37.83 34.93 1ue9 s LYS 36 CO 0.33 0.35 -0.02 0.15 -0.36 0.00 0.00 175.35 175.79 1ue9 s LYS 37 N -1.39 1.77 0.16 4.03 1.02 -1.26 0.18 119.74 124.24 1ue9 s LYS 37 Ca 0.06 -1.95 0.01 0.00 0.02 0.00 0.00 55.97 54.11 1ue9 s LYS 37 Cb -0.09 -1.37 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1ue9 s LYS 37 CO 0.02 -0.02 0.02 1.21 -0.92 0.00 0.00 175.35 175.67 1ue9 s ASN 38 N -3.58 0.97 -0.16 2.83 2.47 -0.92 -4.89 114.94 111.66 1ue9 s ASN 38 Ca 0.33 -1.19 0.10 0.00 0.42 0.00 0.00 52.86 52.53 1ue9 s ASN 38 Cb 0.07 0.17 0.58 0.00 -1.45 0.00 0.00 41.25 40.61 1ue9 s ASN 38 CO 0.16 -0.62 1.39 1.07 -3.72 0.00 0.00 177.10 175.38 1ue9 n THR 39 N -0.21 1.89 -0.01 -5.21 5.66 -1.26 -3.96 114.28 111.18 1ue9 n THR 39 Ca -0.06 -0.97 -0.02 0.00 -3.05 0.00 0.00 64.05 59.94 1ue9 n THR 39 Cb 0.63 -0.31 -0.01 0.00 -1.55 0.00 0.00 70.33 69.09 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 0.48 3.82 0.00 1.09 7.64 -1.26 -5.03 113.62 120.36 1ue9 n SER 40 Ca 0.20 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1ue9 n SER 40 Cb 0.90 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 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 3.32 0.69 3.69 0.23 0.00 -1.25 -5.07 105.19 106.80 1ue9 n GLY 41 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 3.33 0.01 1.61 0.52 -1.26 -1.58 118.94 121.57 1ue9 s TRP 42 Ca 0.00 1.36 0.07 0.00 0.02 0.00 0.00 56.10 57.55 1ue9 s TRP 42 Cb 0.00 -3.33 -0.03 0.00 -1.15 0.00 0.00 33.47 28.96 1ue9 s TRP 42 CO 0.00 -0.91 -0.20 -1.58 0.02 0.00 0.00 176.95 174.28 1ue9 s TRP 43 N 1.99 2.50 -0.51 -1.98 0.51 0.12 -2.15 118.94 119.42 1ue9 s TRP 43 Ca 0.54 -0.30 -0.05 0.00 -2.12 0.00 0.00 56.10 54.17 1ue9 s TRP 43 Cb -0.23 -1.49 0.13 0.00 -0.81 0.00 0.00 33.47 31.07 1ue9 s TRP 43 CO 0.22 0.16 0.34 -1.14 -0.51 0.00 0.00 176.95 176.02 1ue9 s GLN 44 N -1.11 2.37 0.35 4.98 0.74 0.47 -0.96 119.66 126.50 1ue9 s GLN 44 Ca 0.13 -2.04 0.02 0.00 0.05 0.00 0.00 55.36 53.51 1ue9 s GLN 44 Cb -0.10 -3.76 -0.01 0.00 1.10 0.00 0.00 33.01 30.24 1ue9 s GLN 44 CO 0.03 -1.15 0.06 0.41 -0.55 0.00 0.00 175.29 174.08 1ue9 n GLY 45 N 4.33 3.58 3.09 2.59 0.00 -1.11 0.88 105.19 118.55 1ue9 n GLY 45 Ca -0.00 -2.20 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 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 -3.28 2.28 0.13 1.61 2.12 0.04 -2.65 118.70 118.95 1ue9 s GLU 46 Ca 0.08 -0.60 -0.32 0.00 0.36 0.00 0.00 54.97 54.49 1ue9 s GLU 46 Cb 0.00 -1.85 -0.12 0.00 0.26 0.00 0.00 34.13 32.43 1ue9 s GLU 46 CO 0.06 0.03 1.76 -0.11 -0.54 0.00 0.00 175.26 176.45 1ue9 n LEU 47 N 3.91 3.75 -1.66 2.70 0.00 0.33 -0.92 117.00 125.10 1ue9 n LEU 47 Ca -0.20 1.02 -0.12 0.00 0.00 0.00 0.00 56.01 56.71 1ue9 n LEU 47 Cb 0.52 -1.50 0.11 0.00 0.00 0.00 0.00 43.42 42.54 1ue9 n LEU 47 CO 0.25 0.04 0.92 0.00 0.00 0.00 0.00 177.39 178.60 1ue9 n GLN 48 N 4.89 1.80 -4.33 1.96 1.13 0.30 -4.38 117.38 118.74 1ue9 n GLN 48 Ca 0.18 -1.68 -0.17 0.00 -1.94 0.00 0.00 57.00 53.38 1ue9 n GLN 48 Cb 0.34 -1.68 -0.10 0.00 0.11 0.00 0.00 30.24 28.91 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 -1.85 1.84 -0.05 -1.58 0.00 -1.26 -4.82 121.76 114.04 1ue9 s ALA 49 Ca 0.32 -1.75 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 1ue9 s ALA 49 Cb 0.26 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1ue9 s ALA 49 CO 0.06 -0.21 0.08 0.54 0.00 0.00 0.00 175.76 176.24 1ue9 n ARG 50 N -0.41 -4.67 -1.19 0.00 5.12 -1.26 -4.75 116.66 109.50 1ue9 n ARG 50 Ca -0.06 3.43 -0.30 0.00 -1.93 0.00 0.00 57.85 59.00 1ue9 n ARG 50 Cb 0.63 -4.54 0.14 0.00 -1.16 0.00 0.00 32.46 27.54 1ue9 n ARG 50 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1ue9 s GLY 51 N -0.58 1.62 0.00 -0.13 0.00 -1.26 -3.98 107.32 102.99 1ue9 s GLY 51 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.57 1ue9 s GLY 51 CO 0.26 0.44 0.00 1.17 0.00 0.00 0.00 173.10 174.97 1ue9 n LYS 52 N -3.90 0.00 -1.97 2.90 4.81 -1.26 -4.73 118.16 114.01 1ue9 n LYS 52 Ca 0.07 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.23 1ue9 n LYS 52 Cb 0.55 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.55 1ue9 n LYS 52 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1ue9 s LYS 53 N 0.00 2.44 -1.00 1.64 -0.14 -1.26 -4.88 119.74 116.54 1ue9 s LYS 53 Ca 0.00 0.07 -0.21 0.00 -1.36 0.00 0.00 55.97 54.47 1ue9 s LYS 53 Cb 0.00 -4.86 0.09 0.00 -1.68 0.00 0.00 37.83 31.37 1ue9 s LYS 53 CO 0.00 -3.36 1.34 1.03 -0.76 0.00 0.00 175.35 173.59 1ue9 s ARG 54 N 7.30 3.63 0.22 1.68 0.52 -1.26 -4.79 118.95 126.25 1ue9 s ARG 54 Ca 0.73 -1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 54.17 1ue9 s ARG 54 Cb -0.09 -5.19 -0.11 0.00 0.52 0.00 0.00 34.95 30.08 1ue9 s ARG 54 CO 0.06 -2.03 1.58 -0.65 0.02 0.00 0.00 175.30 174.29 1ue9 s GLN 55 N 3.94 4.18 -0.27 3.54 1.11 -1.26 -4.90 119.66 126.00 1ue9 s GLN 55 Ca 0.41 2.46 -0.11 0.00 0.01 0.00 0.00 55.36 58.13 1ue9 s GLN 55 Cb -0.02 -3.10 0.10 0.00 -1.01 0.00 0.00 33.01 28.99 1ue9 s GLN 55 CO -0.09 -0.61 0.61 0.21 0.01 0.00 0.00 175.29 175.42 1ue9 s LYS 56 N 0.45 0.56 0.00 2.91 2.36 -1.26 -0.52 119.74 124.25 1ue9 s LYS 56 Ca 0.67 1.26 0.00 0.00 -2.55 0.00 0.00 55.97 55.35 1ue9 s LYS 56 Cb -0.46 0.48 0.00 0.00 -1.05 0.00 0.00 37.83 36.80 1ue9 s LYS 56 CO 0.38 -0.19 0.00 0.41 1.55 0.00 0.00 175.35 177.50 1ue9 n GLY 57 N 4.97 1.02 3.79 5.54 0.00 -1.08 -4.83 105.19 114.59 1ue9 n GLY 57 Ca -0.15 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.37 3.37 0.13 1.61 0.52 0.11 -2.75 118.94 118.55 1ue9 s TRP 58 Ca 0.00 0.32 -0.18 0.00 0.02 0.00 0.00 56.10 56.26 1ue9 s TRP 58 Cb 0.00 -1.82 0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1ue9 s TRP 58 CO 0.00 0.59 0.44 -0.59 0.02 0.00 0.00 176.95 177.42 1ue9 s PHE 59 N -1.06 -0.27 0.08 -1.98 -0.12 -0.14 0.47 117.98 114.96 1ue9 s PHE 59 Ca 0.18 -0.01 -0.30 0.00 -0.05 0.00 0.00 56.93 56.74 1ue9 s PHE 59 Cb -0.12 0.32 -0.06 0.00 -0.63 0.00 0.00 43.02 42.53 1ue9 s PHE 59 CO 0.07 -0.73 1.16 -1.25 -0.05 0.00 0.00 175.22 174.43 1ue9 s PRO 60 N -3.76 4.47 0.40 1.99 0.04 -1.26 0.12 135.00 137.00 1ue9 s PRO 60 Ca 0.02 1.73 0.28 0.00 0.04 0.00 0.00 61.00 63.07 1ue9 s PRO 60 Cb 0.01 -3.35 1.11 0.00 0.04 0.00 0.00 34.50 32.32 1ue9 s PRO 60 CO -0.12 -0.18 1.84 0.00 0.04 0.00 0.00 177.00 178.58 1ue9 h ALA 61 N 6.50 1.00 0.00 8.56 0.00 -1.63 -2.22 119.26 131.46 1ue9 h ALA 61 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 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 0.79 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.47 1ue9 n SER 62 N -2.68 0.39 0.01 0.00 7.64 -1.26 -0.73 113.62 116.99 1ue9 n SER 62 Ca 0.02 0.62 0.11 0.00 1.01 0.00 0.00 58.87 60.63 1ue9 n SER 62 Cb 0.30 -0.69 0.09 0.00 -1.01 0.00 0.00 64.21 62.90 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 -1.96 0.14 -4.54 1.43 -0.00 -0.83 -4.81 115.22 104.65 1ue9 n HIS 63 Ca 0.02 0.04 -0.26 0.00 -0.00 0.00 0.00 57.72 57.52 1ue9 n HIS 63 Cb 0.15 -0.30 -0.09 0.00 -0.00 0.00 0.00 29.99 29.75 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 -3.09 0.94 -0.03 1.59 -7.23 0.09 0.23 120.40 112.91 1ue9 s VAL 64 Ca 0.07 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1ue9 s VAL 64 Cb 0.16 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.65 1ue9 s VAL 64 CO 0.77 0.00 0.04 -1.59 -0.31 0.00 0.00 175.10 174.01 1ue9 s LYS 65 N -3.79 -0.06 0.27 4.82 -2.85 -0.18 -4.77 119.74 113.18 1ue9 s LYS 65 Ca 0.25 0.28 -0.31 0.00 -1.00 0.00 0.00 55.97 55.19 1ue9 s LYS 65 Cb 0.05 -0.38 -0.12 0.00 -2.06 0.00 0.00 37.83 35.32 1ue9 s LYS 65 CO 0.13 -0.25 1.65 -0.51 0.10 0.00 0.00 175.35 176.48 1ue9 s LEU 66 N 1.61 4.35 -0.06 2.77 1.43 -1.26 -0.75 118.68 126.77 1ue9 s LEU 66 Ca -0.02 2.94 0.11 0.00 -1.03 0.00 0.00 54.13 56.13 1ue9 s LEU 66 Cb -0.13 -3.62 0.43 0.00 0.03 0.00 0.00 46.19 42.90 1ue9 s LEU 66 CO -0.03 -0.95 1.29 0.18 0.23 0.00 0.00 176.35 177.07 1ue9 n LEU 67 N 2.81 2.94 -0.31 1.79 4.77 -1.08 -4.88 117.00 123.04 1ue9 n LEU 67 Ca 0.11 -1.48 0.04 0.00 -0.03 0.00 0.00 56.01 54.65 1ue9 n LEU 67 Cb 0.36 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1ue9 n LEU 67 CO 0.64 0.54 -0.08 0.61 -1.33 0.00 0.00 177.39 177.77 1ue9 n GLY 68 N 0.86 -1.81 3.60 -0.72 0.00 -1.26 -4.72 105.19 101.13 1ue9 n GLY 68 Ca 0.15 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.86 3.54 -0.10 1.61 0.04 -1.26 -4.73 135.00 132.24 1ue9 s PRO 69 Ca 0.00 0.90 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 1ue9 s PRO 69 Cb 0.00 -4.04 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 1ue9 s PRO 69 CO 0.00 -1.61 -0.14 0.43 0.04 0.00 0.00 177.00 175.73 1ue9 n SER 70 N 8.93 1.25 -3.39 6.66 7.64 -1.26 -5.03 113.62 128.41 1ue9 n SER 70 Ca 0.16 0.48 -0.33 0.00 1.01 0.00 0.00 58.87 60.19 1ue9 n SER 70 Cb 0.48 -0.75 0.03 0.00 -1.01 0.00 0.00 64.21 62.97 1ue9 n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ue9 n SER 71 N -3.87 -5.93 -4.62 6.43 7.64 -1.26 -4.68 113.62 107.32 1ue9 n SER 71 Ca -0.05 -0.03 -0.47 0.00 1.01 0.00 0.00 58.87 59.32 1ue9 n SER 71 Cb 0.20 -2.27 -0.05 0.00 -1.01 0.00 0.00 64.21 61.08 1ue9 n SER 71 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ue9 n GLU 72 N -0.17 1.99 -3.07 1.43 0.28 -1.26 -3.38 120.64 116.46 1ue9 n GLU 72 Ca -0.05 0.68 -0.08 0.00 -0.16 0.00 0.00 57.16 57.55 1ue9 n GLU 72 Cb 0.64 -2.75 0.01 0.00 1.43 0.00 0.00 31.44 30.78 1ue9 n GLU 72 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1ue9 n ARG 73 N 7.38 -1.73 0.09 3.44 1.74 -1.26 -4.98 116.66 121.34 1ue9 n ARG 73 Ca 0.27 1.62 0.00 0.00 -0.77 0.00 0.00 57.85 58.97 1ue9 n ARG 73 Cb 0.32 -2.97 0.00 0.00 -1.02 0.00 0.00 32.46 28.79 1ue9 n ARG 73 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ue9 n ALA 74 N 0.69 3.00 -3.52 7.54 0.00 -1.22 -5.02 120.51 121.98 1ue9 n ALA 74 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1ue9 n ALA 74 Cb 0.38 0.11 -0.13 0.00 0.00 0.00 0.00 19.45 19.82 1ue9 n ALA 74 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ue9 s SER 75 N -5.28 3.20 0.00 0.00 0.15 -1.26 -5.04 113.70 105.48 1ue9 s SER 75 Ca 0.00 -2.07 0.00 0.00 0.70 0.00 0.00 55.95 54.58 1ue9 s SER 75 Cb 0.00 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1ue9 s SER 75 CO 0.00 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1ue9 n GLY 76 N 4.22 1.27 0.09 9.45 0.00 -1.26 -5.01 105.19 113.94 1ue9 n GLY 76 Ca 0.08 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1ue9 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ue9 h PRO 77 N 0.00 -0.07 -1.33 1.61 0.13 -1.99 -3.46 132.00 126.89 1ue9 h PRO 77 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 65.32 1ue9 h PRO 77 Cb 0.00 0.02 -0.24 0.00 0.13 0.00 0.00 31.00 30.91 1ue9 h PRO 77 CO 0.00 0.54 0.78 -1.54 -0.23 0.00 0.00 178.00 177.55 1ue9 s SER 78 N -5.79 -0.18 -0.30 1.44 1.04 -1.26 -5.02 113.70 103.64 1ue9 s SER 78 Ca -0.15 0.15 -0.20 0.00 0.48 0.00 0.00 55.95 56.24 1ue9 s SER 78 Cb -0.00 0.15 0.20 0.00 0.10 0.00 0.00 66.02 66.46 1ue9 s SER 78 CO 0.57 -0.19 1.31 -0.94 0.98 0.00 0.00 173.24 174.97 1ue9 s SER 79 N -1.30 -0.04 0.00 7.02 1.04 -1.26 -5.28 113.70 113.88 1ue9 s SER 79 Ca 0.05 0.05 0.12 0.00 0.48 0.00 0.00 55.95 56.66 1ue9 s SER 79 Cb -0.01 1.04 0.10 0.00 0.10 0.00 0.00 66.02 67.25 1ue9 s SER 79 CO -0.04 -0.01 0.89 0.61 0.98 0.00 0.00 173.24 175.67