#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucn n ASN 3 N 0.00 0.00 -1.38 0.00 4.05 -1.26 -4.54 115.26 112.13 1ucn n ASN 3 Ca 0.00 0.00 0.10 0.00 0.45 0.00 0.00 54.58 55.13 1ucn n ASN 3 Cb 0.00 0.00 0.32 0.00 1.23 0.00 0.00 39.78 41.33 1ucn n ASN 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ucn n GLU 5 N 1.30 2.38 -4.29 0.00 2.13 -1.26 -4.74 120.64 116.16 1ucn n GLU 5 Ca 0.24 0.84 -0.20 0.00 0.66 0.00 0.00 57.16 58.70 1ucn n GLU 5 Cb 0.72 -2.52 -0.11 0.00 0.27 0.00 0.00 31.44 29.80 1ucn n GLU 5 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1ucn s ARG 6 N -2.07 1.16 0.05 5.31 0.52 -1.26 -1.13 118.95 121.53 1ucn s ARG 6 Ca 0.55 -1.34 -0.00 0.00 -0.52 0.00 0.00 55.73 54.42 1ucn s ARG 6 Cb -0.51 -1.11 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 1ucn s ARG 6 CO 0.62 0.22 -0.04 -0.08 0.02 0.00 0.00 175.30 176.04 1ucn s THR 7 N -2.18 0.29 -0.19 0.02 -1.32 -0.11 -4.72 115.64 107.43 1ucn s THR 7 Ca 0.13 -1.59 -0.08 0.00 -1.21 0.00 0.00 61.69 58.94 1ucn s THR 7 Cb -0.05 -1.22 -0.04 0.00 -1.51 0.00 0.00 72.50 69.68 1ucn s THR 7 CO 0.05 -0.83 0.08 0.12 -2.21 0.00 0.00 174.62 171.82 1ucn s PHE 8 N -3.19 3.25 -0.03 9.09 5.36 -1.26 -1.41 117.98 129.80 1ucn s PHE 8 Ca 0.02 0.06 0.03 0.00 -0.96 0.00 0.00 56.93 56.08 1ucn s PHE 8 Cb 0.03 -2.12 -0.00 0.00 -0.34 0.00 0.00 43.02 40.59 1ucn s PHE 8 CO -0.07 0.11 -0.11 0.42 -1.46 0.00 0.00 175.22 174.11 1ucn s ILE 9 N 0.55 0.93 -0.05 3.12 -1.09 0.38 -1.11 121.20 123.93 1ucn s ILE 9 Ca 0.04 -0.46 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1ucn s ILE 9 Cb -0.13 -0.81 0.01 0.00 -1.58 0.00 0.00 42.46 39.96 1ucn s ILE 9 CO 0.01 0.28 -0.10 0.00 -1.23 0.00 0.00 174.94 173.90 1ucn s ALA 10 N 0.06 1.07 -0.26 9.38 0.00 0.02 0.34 121.76 132.36 1ucn s ALA 10 Ca -0.02 -0.32 -0.21 0.00 0.00 0.00 0.00 51.96 51.41 1ucn s ALA 10 Cb -0.08 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1ucn s ALA 10 CO 0.01 0.10 0.66 0.42 0.00 0.00 0.00 175.76 176.94 1ucn s ILE 11 N 0.62 4.96 0.89 0.00 1.01 0.20 -1.69 121.20 127.19 1ucn s ILE 11 Ca -0.12 1.14 -0.12 0.00 0.00 0.00 0.00 60.65 61.56 1ucn s ILE 11 Cb -0.14 -3.97 0.13 0.00 0.01 0.00 0.00 42.46 38.49 1ucn s ILE 11 CO 0.02 -0.02 1.09 -0.54 0.00 0.00 0.00 174.94 175.50 1ucn s LYS 12 N 2.57 1.28 0.29 2.79 1.02 0.81 -1.57 119.74 126.92 1ucn s LYS 12 Ca 0.27 0.76 0.04 0.00 0.02 0.00 0.00 55.97 57.07 1ucn s LYS 12 Cb -0.15 -1.82 0.74 0.00 -0.52 0.00 0.00 37.83 36.08 1ucn s LYS 12 CO 0.09 -2.21 1.70 -1.35 -0.92 0.00 0.00 175.35 172.66 1ucn h PRO 13 N -1.53 0.42 -0.16 -1.68 0.11 -1.83 0.39 132.00 127.71 1ucn h PRO 13 Ca -0.50 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1ucn h PRO 13 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ucn h PRO 13 CO 0.55 0.28 -0.30 0.38 -0.21 0.00 0.00 178.00 178.70 1ucn h ASP 14 N 0.43 0.32 -0.54 -2.05 2.03 -1.89 -0.10 116.42 114.63 1ucn h ASP 14 Ca 0.57 -0.11 -0.02 0.00 -0.73 0.00 0.00 57.03 56.73 1ucn h ASP 14 Cb 1.06 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 39.45 1ucn h ASP 14 CO -0.52 0.62 0.26 1.23 -1.03 0.00 0.00 179.24 179.81 1ucn h GLY 15 N 1.06 0.83 0.70 7.15 0.00 -0.41 -0.87 103.07 111.54 1ucn h GLY 15 Ca 0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1ucn h GLY 15 CO 0.05 0.39 -0.04 -2.08 0.00 0.00 0.00 176.54 174.86 1ucn h VAL 16 N 0.73 1.31 -0.95 4.60 2.07 -0.98 -2.21 116.25 120.82 1ucn h VAL 16 Ca 0.19 -1.03 0.08 0.00 0.82 0.00 0.00 66.70 66.76 1ucn h VAL 16 Cb 0.11 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 31.60 1ucn h VAL 16 CO -0.02 0.29 0.61 1.56 0.02 0.00 0.00 177.57 180.03 1ucn h GLN 17 N -0.15 1.02 -0.45 1.57 1.08 -0.87 -2.31 115.11 115.01 1ucn h GLN 17 Ca 0.02 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ucn h GLN 17 Cb 0.48 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1ucn h GLN 17 CO 0.01 0.67 0.00 0.54 -0.95 0.00 0.00 178.83 179.10 1ucn n ARG 18 N -4.52 1.97 -3.26 1.46 1.74 -0.34 -4.94 116.66 108.77 1ucn n ARG 18 Ca 0.15 -1.18 -0.17 0.00 -0.77 0.00 0.00 57.85 55.88 1ucn n ARG 18 Cb 0.23 -1.39 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 1ucn n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ucn n GLY 19 N 0.81 -0.20 0.74 -0.13 0.00 -0.87 -4.95 105.19 100.59 1ucn n GLY 19 Ca 0.11 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1ucn n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ucn n LEU 20 N -3.79 3.11 0.28 0.99 4.77 -0.84 -4.68 117.00 116.84 1ucn n LEU 20 Ca -0.08 -2.06 -0.16 0.00 -0.03 0.00 0.00 56.01 53.68 1ucn n LEU 20 Cb 0.58 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1ucn n LEU 20 CO 0.49 0.75 0.66 0.58 -1.33 0.00 0.00 177.39 178.55 1ucn h VAL 21 N 2.26 0.50 -0.27 4.08 2.07 -1.89 -2.02 116.25 120.98 1ucn h VAL 21 Ca 0.00 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1ucn h VAL 21 Cb 0.81 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1ucn h VAL 21 CO 0.02 0.02 0.09 1.23 0.02 0.00 0.00 177.57 178.95 1ucn h GLY 22 N -0.74 0.33 0.28 2.17 0.00 -1.97 -1.95 103.07 101.19 1ucn h GLY 22 Ca -0.07 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.30 1ucn h GLY 22 CO 0.11 0.03 0.05 0.83 0.00 0.00 0.00 176.54 177.56 1ucn h GLU 23 N 0.21 0.17 -0.27 4.80 4.39 -1.84 -0.61 114.58 121.43 1ucn h GLU 23 Ca 0.12 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1ucn h GLU 23 Cb 0.09 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1ucn h GLU 23 CO -0.13 0.11 0.01 0.82 -1.16 0.00 0.00 179.01 178.66 1ucn h ILE 24 N 0.18 1.25 -0.80 3.13 2.04 -1.14 -2.56 117.51 119.61 1ucn h ILE 24 Ca 0.25 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1ucn h ILE 24 Cb 0.35 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1ucn h ILE 24 CO -0.36 0.28 0.36 0.40 0.00 0.00 0.00 178.15 178.83 1ucn h ILE 25 N 0.25 1.25 -0.76 -0.67 2.04 -1.09 -2.17 117.51 116.36 1ucn h ILE 25 Ca 0.08 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1ucn h ILE 25 Cb 0.41 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1ucn h ILE 25 CO 0.01 0.31 0.50 0.50 0.00 0.00 0.00 178.15 179.48 1ucn h LYS 26 N 1.15 1.00 -0.64 2.37 3.64 -1.02 -0.69 116.57 122.38 1ucn h LYS 26 Ca 0.27 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1ucn h LYS 26 Cb 0.15 -0.22 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 1ucn h LYS 26 CO -0.03 0.66 0.33 0.00 -2.27 0.00 0.00 179.45 178.14 1ucn h ARG 27 N 1.03 0.60 -0.03 1.90 2.47 -0.97 0.14 114.38 119.52 1ucn h ARG 27 Ca 0.28 -0.04 -0.23 0.00 -1.26 0.00 0.00 59.98 58.73 1ucn h ARG 27 Cb -0.11 -0.13 0.01 0.00 -1.65 0.00 0.00 29.97 28.08 1ucn h ARG 27 CO -0.06 0.39 -0.93 0.74 0.56 0.00 0.00 179.97 180.68 1ucn h PHE 28 N 0.61 0.76 -0.16 3.04 -1.00 -1.24 -3.10 116.94 115.87 1ucn h PHE 28 Ca 0.29 -0.40 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 1ucn h PHE 28 Cb 0.21 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1ucn h PHE 28 CO -0.09 1.22 0.03 0.93 -1.61 0.00 0.00 178.31 178.78 1ucn h GLU 29 N 0.31 0.26 0.00 1.51 5.08 -0.82 -2.75 114.58 118.18 1ucn h GLU 29 Ca -0.08 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1ucn h GLU 29 Cb 1.56 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.77 1ucn h GLU 29 CO 0.17 0.43 -0.11 -0.56 -1.00 0.00 0.00 179.01 177.94 1ucn h GLN 30 N 0.04 0.00 0.00 2.33 3.07 -1.07 -2.08 115.11 117.40 1ucn h GLN 30 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.75 1ucn h GLN 30 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.85 1ucn h GLN 30 CO 0.00 0.11 -0.15 -0.22 0.09 0.00 0.00 178.83 178.66 1ucn h LYS 31 N 0.00 0.00 0.00 0.06 1.63 -1.45 -3.47 116.57 113.34 1ucn h LYS 31 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ucn h LYS 31 Cb 0.35 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1ucn h LYS 31 CO 0.01 0.15 0.00 0.41 -3.45 0.00 0.00 179.45 176.58 1ucn n GLY 32 N 0.58 0.77 3.80 5.01 0.00 -0.78 -5.10 105.19 109.46 1ucn n GLY 32 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1ucn n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ucn s PHE 33 N -2.00 2.95 -0.20 1.61 0.08 -1.05 -4.99 117.98 114.39 1ucn s PHE 33 Ca 0.00 1.56 -0.10 0.00 0.12 0.00 0.00 56.93 58.51 1ucn s PHE 33 Cb 0.00 -3.08 -0.05 0.00 -0.57 0.00 0.00 43.02 39.32 1ucn s PHE 33 CO 0.00 -0.97 0.12 0.50 -0.10 0.00 0.00 175.22 174.77 1ucn s ARG 34 N -3.38 4.15 -0.09 0.44 3.52 -0.39 -4.52 118.95 118.68 1ucn s ARG 34 Ca 0.67 -0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.75 1ucn s ARG 34 Cb -0.17 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.79 1ucn s ARG 34 CO 0.24 0.31 1.29 -1.17 -0.81 0.00 0.00 175.30 175.16 1ucn s LEU 35 N 0.32 4.25 -0.17 -0.88 0.20 -1.26 -0.57 118.68 120.57 1ucn s LEU 35 Ca 0.08 1.85 -0.02 0.00 0.69 0.00 0.00 54.13 56.73 1ucn s LEU 35 Cb -0.11 -3.55 -0.10 0.00 -0.43 0.00 0.00 46.19 42.00 1ucn s LEU 35 CO -0.02 -0.70 -0.17 0.52 -0.29 0.00 0.00 176.35 175.69 1ucn n VAL 36 N 4.99 0.93 -4.03 1.68 0.31 0.04 -4.90 118.33 117.35 1ucn n VAL 36 Ca 0.13 -0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1ucn n VAL 36 Cb 0.45 -1.28 -0.13 0.00 -0.91 0.00 0.00 33.84 31.97 1ucn n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1ucn s GLY 37 N -5.49 0.29 -0.20 2.92 0.00 -1.07 -1.14 107.32 102.64 1ucn s GLY 37 Ca -0.23 -0.45 -0.07 0.00 0.00 0.00 0.00 44.72 43.97 1ucn s GLY 37 CO 0.35 -0.48 0.42 -2.27 0.00 0.00 0.00 173.10 171.12 1ucn s LEU 38 N -0.91 -0.60 -0.10 0.66 2.96 -1.26 -1.84 118.68 117.59 1ucn s LEU 38 Ca -0.07 0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 54.73 1ucn s LEU 38 Cb -0.06 1.36 0.03 0.00 0.50 0.00 0.00 46.19 48.01 1ucn s LEU 38 CO -0.00 -0.23 0.27 -1.59 -1.32 0.00 0.00 176.35 173.48 1ucn s LYS 39 N 2.50 0.34 -0.26 1.98 -2.85 -0.66 -5.01 119.74 115.79 1ucn s LYS 39 Ca -0.02 0.34 -0.09 0.00 -1.00 0.00 0.00 55.97 55.19 1ucn s LYS 39 Cb -0.12 0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.78 1ucn s LYS 39 CO -0.13 -0.05 0.12 0.12 0.10 0.00 0.00 175.35 175.52 1ucn s PHE 40 N 0.04 3.17 0.25 1.78 5.36 -1.26 -0.77 117.98 126.55 1ucn s PHE 40 Ca -0.01 -0.12 -0.18 0.00 -0.96 0.00 0.00 56.93 55.66 1ucn s PHE 40 Cb -0.02 -2.29 0.02 0.00 -0.34 0.00 0.00 43.02 40.39 1ucn s PHE 40 CO 0.01 -0.21 0.61 0.00 -1.46 0.00 0.00 175.22 174.17 1ucn s MET 41 N 1.53 1.62 -0.30 10.12 0.23 -0.54 -4.97 119.30 127.00 1ucn s MET 41 Ca 0.06 -1.02 -0.05 0.00 -1.03 0.00 0.00 55.69 53.65 1ucn s MET 41 Cb -0.15 0.55 0.03 0.00 -1.53 0.00 0.00 34.83 33.73 1ucn s MET 41 CO 0.06 -0.71 0.05 -1.14 -2.03 0.00 0.00 175.02 171.25 1ucn s GLN 42 N -3.93 2.80 0.11 3.16 0.74 -1.26 0.92 119.66 122.19 1ucn s GLN 42 Ca 0.14 -1.04 -0.31 0.00 0.05 0.00 0.00 55.36 54.19 1ucn s GLN 42 Cb -0.03 -3.30 -0.08 0.00 1.10 0.00 0.00 33.01 30.70 1ucn s GLN 42 CO 0.05 -0.53 1.40 0.00 -0.55 0.00 0.00 175.29 175.65 1ucn s ALA 43 N 1.40 3.59 0.63 1.58 0.00 -1.26 -5.00 121.76 122.71 1ucn s ALA 43 Ca -0.00 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 1ucn s ALA 43 Cb -0.18 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 1ucn s ALA 43 CO 0.01 -0.64 1.12 -1.54 0.00 0.00 0.00 175.76 174.72 1ucn s SER 44 N 1.17 5.20 0.40 0.00 1.04 -1.26 -4.60 113.70 115.64 1ucn s SER 44 Ca 0.65 2.08 0.09 0.00 0.48 0.00 0.00 55.95 59.25 1ucn s SER 44 Cb -0.37 -2.56 0.87 0.00 0.10 0.00 0.00 66.02 64.07 1ucn s SER 44 CO 0.30 -1.57 2.00 -0.33 0.98 0.00 0.00 173.24 174.62 1ucn h GLU 45 N 0.32 0.56 0.27 4.02 5.08 -1.94 -2.05 114.58 120.83 1ucn h GLU 45 Ca -0.48 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1ucn h GLU 45 Cb 1.26 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ucn h GLU 45 CO 0.54 0.37 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.36 1ucn h ASP 46 N 0.58 -0.31 -0.61 1.42 3.45 -1.99 -2.07 116.42 116.88 1ucn h ASP 46 Ca 0.25 -0.16 0.12 0.00 0.43 0.00 0.00 57.03 57.66 1ucn h ASP 46 Cb 0.24 0.08 -0.09 0.00 -0.56 0.00 0.00 39.33 39.00 1ucn h ASP 46 CO -0.07 0.01 0.08 0.25 -1.57 0.00 0.00 179.24 177.94 1ucn h LEU 47 N -0.64 -0.10 -0.89 1.55 5.85 -1.84 -0.84 115.31 118.40 1ucn h LEU 47 Ca -0.04 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ucn h LEU 47 Cb 0.45 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1ucn h LEU 47 CO 0.06 -0.04 0.46 -0.07 -0.34 0.00 0.00 178.44 178.51 1ucn h LEU 48 N 0.20 1.13 -0.67 2.25 3.38 -1.33 0.87 115.31 121.13 1ucn h LEU 48 Ca 0.33 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1ucn h LEU 48 Cb 0.51 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1ucn h LEU 48 CO -0.46 0.92 0.06 0.11 0.09 0.00 0.00 178.44 179.17 1ucn h LYS 49 N 1.25 1.09 -0.71 1.13 1.57 -0.56 0.29 116.57 120.63 1ucn h LYS 49 Ca 0.31 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1ucn h LYS 49 Cb 0.06 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1ucn h LYS 49 CO -0.05 1.02 0.17 1.49 -0.57 0.00 0.00 179.45 181.51 1ucn h GLU 50 N 1.01 1.14 -0.25 3.15 4.22 -0.70 -1.80 114.58 121.36 1ucn h GLU 50 Ca 0.19 -0.28 -0.11 0.00 0.08 0.00 0.00 59.36 59.24 1ucn h GLU 50 Cb 0.49 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ucn h GLU 50 CO 0.02 1.01 -0.27 1.25 -2.18 0.00 0.00 179.01 178.84 1ucn h HIS 51 N 1.08 0.75 -0.89 0.92 2.76 -0.40 -3.23 115.15 116.14 1ucn h HIS 51 Ca 0.22 -0.23 -0.40 0.00 -2.20 0.00 0.00 60.37 57.77 1ucn h HIS 51 Cb 0.39 -0.16 -0.24 0.00 1.55 0.00 0.00 27.41 28.95 1ucn h HIS 51 CO 0.03 0.95 0.50 0.66 -1.30 0.00 0.00 177.93 178.78 1ucn n TYR 52 N -4.32 2.81 -0.21 5.26 4.01 0.05 -4.72 117.16 120.04 1ucn n TYR 52 Ca -0.05 -1.58 -0.04 0.00 -0.16 0.00 0.00 57.90 56.07 1ucn n TYR 52 Cb 0.46 -0.84 0.02 0.00 -0.31 0.00 0.00 39.34 38.66 1ucn n TYR 52 CO 0.00 0.00 0.00 -0.39 -0.46 0.00 0.00 176.86 176.01 1ucn h VAL 53 N 1.65 0.18 0.00 -0.72 -1.51 -1.35 0.15 116.25 114.65 1ucn h VAL 53 Ca 0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.96 1ucn h VAL 53 Cb 2.65 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.99 1ucn h VAL 53 CO 0.96 0.00 0.08 0.47 -1.23 0.00 0.00 177.57 177.85 1ucn n ASP 54 N -5.44 0.00 -0.15 4.19 10.43 -1.26 0.10 116.55 124.42 1ucn n ASP 54 Ca 0.05 0.25 0.02 0.00 2.57 0.00 0.00 54.79 57.68 1ucn n ASP 54 Cb 0.36 -0.25 0.03 0.00 1.84 0.00 0.00 41.12 43.09 1ucn n ASP 54 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1ucn n LEU 55 N -1.21 1.75 -0.18 0.64 4.77 0.51 -4.78 117.00 118.49 1ucn n LEU 55 Ca 0.00 -1.49 -0.02 0.00 -0.03 0.00 0.00 56.01 54.47 1ucn n LEU 55 Cb 0.08 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1ucn n LEU 55 CO 0.00 0.42 0.74 0.07 -1.33 0.00 0.00 177.39 177.29 1ucn h LYS 56 N 0.59 -0.03 -1.77 3.23 2.10 -0.20 -1.44 116.57 119.05 1ucn h LYS 56 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.28 1ucn h LYS 56 Cb 0.34 0.01 -0.14 0.00 -0.90 0.00 0.00 32.23 31.54 1ucn h LYS 56 CO 0.00 -0.02 0.33 -0.25 -2.00 0.00 0.00 179.45 177.50 1ucn n ASP 57 N -5.40 6.33 -4.65 7.07 8.00 -1.26 -4.69 116.55 121.95 1ucn n ASP 57 Ca 0.06 -3.05 -0.34 0.00 0.71 0.00 0.00 54.79 52.17 1ucn n ASP 57 Cb 0.31 -1.16 -0.10 0.00 -0.02 0.00 0.00 41.12 40.15 1ucn n ASP 57 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1ucn s ARG 58 N -1.48 2.81 0.00 -1.24 6.06 -0.54 -4.99 118.95 119.56 1ucn s ARG 58 Ca 0.44 -0.54 0.00 0.00 -2.50 0.00 0.00 55.73 53.13 1ucn s ARG 58 Cb 0.30 -2.67 0.00 0.00 0.06 0.00 0.00 34.95 32.64 1ucn s ARG 58 CO -0.09 0.66 0.23 -0.35 -2.50 0.00 0.00 175.30 173.25 1ucn n PRO 59 N 1.85 0.00 -0.40 5.12 -0.04 -1.26 -1.73 135.00 138.54 1ucn n PRO 59 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ucn n PRO 59 Cb 0.53 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1ucn n PRO 59 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ucn n TRP 60 N -0.69 0.00 -0.04 0.54 4.27 -1.26 -4.94 117.44 115.31 1ucn n TRP 60 Ca 0.00 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.53 1ucn n TRP 60 Cb 0.00 0.08 -0.02 0.00 -1.36 0.00 0.00 31.31 30.01 1ucn n TRP 60 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1ucn h PHE 61 N 0.00 -0.12 -0.65 -2.67 3.57 -1.56 -1.77 116.94 113.73 1ucn h PHE 61 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1ucn h PHE 61 Cb 1.17 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.96 1ucn h PHE 61 CO -0.06 -0.10 0.41 0.00 -2.23 0.00 0.00 178.31 176.33 1ucn h ALA 62 N 1.21 0.84 0.00 2.41 0.00 -1.88 0.30 119.26 122.14 1ucn h ALA 62 Ca 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ucn h ALA 62 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ucn h ALA 62 CO -0.22 0.19 -0.21 0.78 0.00 0.00 0.00 179.25 179.79 1ucn h GLY 63 N 0.82 0.00 0.36 0.00 0.00 -1.87 -0.03 103.07 102.36 1ucn h GLY 63 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1ucn h GLY 63 CO -0.09 0.00 -0.12 -2.00 0.00 0.00 0.00 176.54 174.33 1ucn h LEU 64 N 0.00 -0.27 -1.12 3.11 6.46 -0.37 -2.33 115.31 120.80 1ucn h LEU 64 Ca -0.00 -0.21 0.07 0.00 -0.12 0.00 0.00 57.88 57.62 1ucn h LEU 64 Cb 0.41 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.35 1ucn h LEU 64 CO 0.03 0.23 0.60 0.58 -0.62 0.00 0.00 178.44 179.26 1ucn h VAL 65 N -0.97 1.05 -0.13 1.05 2.07 -0.85 -0.73 116.25 117.73 1ucn h VAL 65 Ca -0.03 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1ucn h VAL 65 Cb 0.46 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1ucn h VAL 65 CO 0.05 0.19 0.01 0.50 0.02 0.00 0.00 177.57 178.35 1ucn h LYS 66 N 1.04 0.23 -0.18 1.57 3.64 -1.07 -2.77 116.57 119.03 1ucn h LYS 66 Ca 0.41 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1ucn h LYS 66 Cb 0.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1ucn h LYS 66 CO -0.16 0.44 0.10 -0.92 -2.27 0.00 0.00 179.45 176.64 1ucn h TYR 67 N -0.02 0.25 0.00 1.91 5.03 -0.84 -1.76 116.97 121.54 1ucn h TYR 67 Ca 0.04 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.34 1ucn h TYR 67 Cb 0.33 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.53 1ucn h TYR 67 CO 0.03 0.23 0.00 -1.33 -1.32 0.00 0.00 178.16 175.76 1ucn n MET 68 N -4.91 0.15 -0.00 1.82 2.81 -0.33 -0.78 117.12 115.88 1ucn n MET 68 Ca -0.04 0.57 0.10 0.00 -1.81 0.00 0.00 57.70 56.53 1ucn n MET 68 Cb 0.07 -1.93 -0.11 0.00 -0.71 0.00 0.00 33.22 30.55 1ucn n MET 68 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1ucn n HIS 69 N -2.24 0.00 0.41 2.03 -0.00 -0.82 -4.38 115.22 110.23 1ucn n HIS 69 Ca -0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 1ucn n HIS 69 Cb 0.09 -0.06 0.48 0.00 -0.00 0.00 0.00 29.99 30.51 1ucn n HIS 69 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ucn n SER 70 N -1.57 0.67 -3.70 0.26 3.41 0.04 -4.87 113.62 107.86 1ucn n SER 70 Ca 0.03 0.66 -0.08 0.00 -0.26 0.00 0.00 58.87 59.22 1ucn n SER 70 Cb 0.35 -0.80 -0.02 0.00 -0.26 0.00 0.00 64.21 63.48 1ucn n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1ucn s GLY 71 N -3.54 -0.29 0.80 5.00 0.00 -1.26 -5.12 107.32 102.92 1ucn s GLY 71 Ca 0.05 0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.72 1ucn s GLY 71 CO 0.40 0.02 1.13 2.56 0.00 0.00 0.00 173.10 177.21 1ucn s PRO 72 N -3.74 1.86 0.18 2.90 0.04 -1.26 -4.65 135.00 130.34 1ucn s PRO 72 Ca 0.08 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1ucn s PRO 72 Cb -0.04 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1ucn s PRO 72 CO -0.00 -1.98 -0.00 0.14 0.04 0.00 0.00 177.00 175.19 1ucn s VAL 73 N -2.61 0.77 -0.35 -0.36 -7.23 0.26 -3.84 120.40 107.04 1ucn s VAL 73 Ca 0.66 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.78 1ucn s VAL 73 Cb -0.21 -2.15 0.05 0.00 0.56 0.00 0.00 36.38 34.63 1ucn s VAL 73 CO 0.53 -0.46 0.11 -0.69 -0.31 0.00 0.00 175.10 174.29 1ucn s VAL 74 N -3.60 3.67 -0.02 1.32 1.01 -0.61 -1.46 120.40 120.70 1ucn s VAL 74 Ca 0.25 -1.27 -0.20 0.00 0.00 0.00 0.00 61.98 60.75 1ucn s VAL 74 Cb 0.06 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1ucn s VAL 74 CO 0.05 -0.24 0.57 0.00 0.00 0.00 0.00 175.10 175.47 1ucn s ALA 75 N 1.36 3.50 0.04 5.51 0.00 0.05 -0.62 121.76 131.60 1ucn s ALA 75 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1ucn s ALA 75 Cb -0.20 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1ucn s ALA 75 CO 0.02 0.16 -0.04 -1.64 0.00 0.00 0.00 175.76 174.25 1ucn s MET 76 N -0.12 0.52 -0.08 0.00 -1.94 0.15 -1.65 119.30 116.18 1ucn s MET 76 Ca 0.30 -0.94 0.01 0.00 -1.71 0.00 0.00 55.69 53.34 1ucn s MET 76 Cb -0.18 0.04 0.02 0.00 2.01 0.00 0.00 34.83 36.73 1ucn s MET 76 CO 0.16 -0.05 -0.08 0.08 -0.01 0.00 0.00 175.02 175.12 1ucn s VAL 77 N -2.60 0.91 0.07 -6.03 1.01 -0.77 -0.47 120.40 112.53 1ucn s VAL 77 Ca -0.03 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1ucn s VAL 77 Cb -0.02 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1ucn s VAL 77 CO -0.04 0.33 -0.25 0.26 0.00 0.00 0.00 175.10 175.40 1ucn s TRP 78 N 1.29 2.16 0.04 5.22 0.52 -0.50 -0.78 118.94 126.90 1ucn s TRP 78 Ca -0.03 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 55.76 1ucn s TRP 78 Cb -0.14 -1.26 -0.03 0.00 -1.15 0.00 0.00 33.47 30.89 1ucn s TRP 78 CO -0.03 0.17 -0.20 -2.00 0.02 0.00 0.00 176.95 174.91 1ucn s GLU 79 N -1.46 2.01 0.00 4.98 2.12 0.26 -0.94 118.70 125.67 1ucn s GLU 79 Ca 0.11 -1.01 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1ucn s GLU 79 Cb -0.10 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1ucn s GLU 79 CO 0.03 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1ucn n GLY 80 N 1.63 3.09 3.67 -1.50 0.00 -0.28 -1.26 105.19 110.54 1ucn n GLY 80 Ca -0.16 -0.94 -0.48 0.00 0.00 0.00 0.00 46.02 44.44 1ucn n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ucn n LEU 81 N 0.00 3.15 -2.70 0.99 7.94 -1.26 -1.60 117.00 123.52 1ucn n LEU 81 Ca 0.00 1.03 -0.16 0.00 -1.11 0.00 0.00 56.01 55.76 1ucn n LEU 81 Cb 0.00 -1.36 -0.00 0.00 0.53 0.00 0.00 43.42 42.58 1ucn n LEU 81 CO 0.00 -0.21 -0.12 0.59 -1.11 0.00 0.00 177.39 176.53 1ucn n ASN 82 N 5.24 -4.14 -0.35 1.96 5.03 -1.26 -4.86 115.26 116.88 1ucn n ASN 82 Ca 0.21 0.01 0.06 0.00 0.87 0.00 0.00 54.58 55.73 1ucn n ASN 82 Cb 0.27 -3.47 0.23 0.00 -1.02 0.00 0.00 39.78 35.80 1ucn n ASN 82 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1ucn h VAL 83 N -0.35 0.98 0.55 2.41 -1.51 -1.58 -1.32 116.25 115.43 1ucn h VAL 83 Ca -0.35 -0.35 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 1ucn h VAL 83 Cb 1.25 -0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 30.27 1ucn h VAL 83 CO 0.42 0.19 -0.33 0.58 -1.23 0.00 0.00 177.57 177.20 1ucn h VAL 84 N 1.03 0.33 -0.14 7.19 2.07 -1.85 0.57 116.25 125.44 1ucn h VAL 84 Ca 0.46 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.98 1ucn h VAL 84 Cb 0.39 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1ucn h VAL 84 CO -0.22 0.00 0.08 0.50 0.02 0.00 0.00 177.57 177.94 1ucn h LYS 85 N -0.83 0.20 -0.02 1.57 3.64 -1.86 -2.48 116.57 116.79 1ucn h LYS 85 Ca -0.07 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 1ucn h LYS 85 Cb 0.67 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1ucn h LYS 85 CO 0.08 0.23 -0.49 1.79 -2.27 0.00 0.00 179.45 178.78 1ucn h THR 86 N 0.12 1.35 -0.89 1.00 1.35 -1.20 -2.61 112.91 112.04 1ucn h THR 86 Ca 0.05 -1.70 -0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1ucn h THR 86 Cb 0.09 1.90 -0.04 0.00 -1.73 0.00 0.00 68.15 68.37 1ucn h THR 86 CO -0.01 0.49 0.55 1.23 -0.25 0.00 0.00 175.52 177.53 1ucn h GLY 87 N 1.46 1.28 1.03 5.82 0.00 0.36 0.31 103.07 113.33 1ucn h GLY 87 Ca -0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1ucn h GLY 87 CO 0.07 0.51 0.41 3.21 0.00 0.00 0.00 176.54 180.73 1ucn h ARG 88 N 1.22 1.19 -0.36 4.80 2.47 -1.09 -0.97 114.38 121.65 1ucn h ARG 88 Ca 0.32 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 1ucn h ARG 88 Cb -0.07 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.01 1ucn h ARG 88 CO -0.06 0.91 0.17 0.28 0.56 0.00 0.00 179.97 181.82 1ucn h VAL 89 N 1.18 1.17 -0.42 2.04 2.07 -1.00 -1.47 116.25 119.82 1ucn h VAL 89 Ca 0.29 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1ucn h VAL 89 Cb 0.10 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1ucn h VAL 89 CO -0.04 0.18 0.20 0.24 0.02 0.00 0.00 177.57 178.17 1ucn h MET 90 N 0.44 0.58 -0.23 1.57 2.86 -0.49 -2.65 114.93 117.01 1ucn h MET 90 Ca 0.12 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1ucn h MET 90 Cb 0.13 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1ucn h MET 90 CO -0.01 0.46 -0.25 -0.07 1.06 0.00 0.00 176.91 178.10 1ucn h LEU 91 N 0.58 0.62 0.00 1.22 4.07 -0.82 -0.91 115.31 120.07 1ucn h LEU 91 Ca 0.15 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.63 1ucn h LEU 91 Cb 0.07 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.64 1ucn h LEU 91 CO -0.02 0.97 0.00 0.61 -1.08 0.00 0.00 178.44 178.92 1ucn n GLY 92 N 0.19 -0.17 3.95 0.83 0.00 -0.59 -1.29 105.19 108.12 1ucn n GLY 92 Ca -0.05 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 1ucn n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ucn s GLU 93 N 0.00 3.47 0.25 1.61 0.41 -1.26 -4.73 118.70 118.44 1ucn s GLU 93 Ca 0.00 -0.48 -0.04 0.00 -0.41 0.00 0.00 54.97 54.05 1ucn s GLU 93 Cb 0.00 -2.74 0.47 0.00 -1.78 0.00 0.00 34.13 30.08 1ucn s GLU 93 CO 0.00 0.24 1.73 1.15 -0.49 0.00 0.00 175.26 177.89 1ucn h THR 94 N 0.89 0.66 -3.59 3.63 2.02 -1.95 -3.36 112.91 111.21 1ucn h THR 94 Ca -0.50 -0.16 -0.63 0.00 0.77 0.00 0.00 66.41 65.88 1ucn h THR 94 Cb 1.22 0.16 -0.14 0.00 -1.74 0.00 0.00 68.15 67.65 1ucn h THR 94 CO 0.61 0.08 0.00 0.21 0.37 0.00 0.00 175.52 176.80 1ucn s ASN 95 N -5.35 6.38 0.54 4.18 3.84 -1.26 -4.72 114.94 118.55 1ucn s ASN 95 Ca -0.12 0.17 0.29 0.00 0.21 0.00 0.00 52.86 53.41 1ucn s ASN 95 Cb 0.21 -2.29 1.45 0.00 -0.55 0.00 0.00 41.25 40.07 1ucn s ASN 95 CO 0.76 -0.45 1.93 -0.65 -2.79 0.00 0.00 177.10 175.91 1ucn h PRO 96 N 8.33 0.00 0.00 0.43 0.11 -1.74 0.31 132.00 139.43 1ucn h PRO 96 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ucn h PRO 96 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ucn h PRO 96 CO 0.77 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 1ucn h ALA 97 N 1.62 1.00 -0.01 -0.75 0.00 -1.90 -1.70 119.26 117.51 1ucn h ALA 97 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ucn h ALA 97 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ucn h ALA 97 CO -0.00 0.00 -0.38 -0.25 0.00 0.00 0.00 179.25 178.62 1ucn n ASP 98 N -2.79 1.84 -4.72 0.00 10.43 0.11 -4.95 116.55 116.47 1ucn n ASP 98 Ca -0.00 -1.42 -0.41 0.00 2.57 0.00 0.00 54.79 55.53 1ucn n ASP 98 Cb 0.21 0.45 -0.04 0.00 1.84 0.00 0.00 41.12 43.58 1ucn n ASP 98 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1ucn s SER 99 N -2.13 7.23 0.41 -2.24 0.01 -0.64 -4.63 113.70 111.71 1ucn s SER 99 Ca 0.16 1.48 -0.23 0.00 1.31 0.00 0.00 55.95 58.67 1ucn s SER 99 Cb 0.15 -2.50 -0.09 0.00 0.21 0.00 0.00 66.02 63.79 1ucn s SER 99 CO 0.47 -0.15 1.04 -0.54 0.41 0.00 0.00 173.24 174.47 1ucn s LYS 100 N 0.69 4.11 0.43 12.44 -0.14 -1.26 -4.50 119.74 131.51 1ucn s LYS 100 Ca 0.45 1.48 -0.25 0.00 -1.36 0.00 0.00 55.97 56.28 1ucn s LYS 100 Cb -0.20 -2.46 -0.10 0.00 -1.68 0.00 0.00 37.83 33.39 1ucn s LYS 100 CO 0.24 -0.18 1.21 -2.30 -0.76 0.00 0.00 175.35 173.56 1ucn n PRO 101 N -0.23 1.76 0.00 -1.68 -0.02 -1.26 -1.63 135.00 131.94 1ucn n PRO 101 Ca 0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1ucn n PRO 101 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1ucn n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ucn n GLY 102 N 0.90 2.13 3.92 -1.23 0.00 -1.26 -4.98 105.19 104.67 1ucn n GLY 102 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1ucn n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ucn s THR 103 N -2.25 3.09 0.00 2.61 -4.23 -0.65 -4.91 115.64 109.30 1ucn s THR 103 Ca 0.00 -0.05 -0.25 0.00 -1.18 0.00 0.00 61.69 60.21 1ucn s THR 103 Cb 0.00 -3.28 -0.18 0.00 1.34 0.00 0.00 72.50 70.38 1ucn s THR 103 CO 0.00 -0.30 1.33 0.40 -0.54 0.00 0.00 174.62 175.51 1ucn h ILE 104 N -0.40 1.13 -0.39 2.99 2.04 -1.14 -1.07 117.51 120.68 1ucn h ILE 104 Ca -0.45 -0.81 -0.10 0.00 1.00 0.00 0.00 64.86 64.50 1ucn h ILE 104 Cb 1.28 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.99 1ucn h ILE 104 CO 0.61 0.20 -0.18 0.03 0.00 0.00 0.00 178.15 178.81 1ucn h ARG 105 N -0.48 0.74 -0.77 2.37 3.08 -1.45 -1.31 114.38 116.57 1ucn h ARG 105 Ca -0.01 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1ucn h ARG 105 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1ucn h ARG 105 CO 0.02 0.87 0.29 0.78 -1.07 0.00 0.00 179.97 180.85 1ucn h GLY 106 N 0.98 1.25 1.51 0.04 0.00 -1.74 -2.65 103.07 102.45 1ucn h GLY 106 Ca 0.10 -0.70 -0.27 0.00 0.00 0.00 0.00 47.33 46.47 1ucn h GLY 106 CO 0.05 0.65 -1.34 -0.55 0.00 0.00 0.00 176.54 175.35 1ucn h ASP 107 N 1.12 0.21 -0.01 0.19 3.32 -1.06 -3.42 116.42 116.77 1ucn h ASP 107 Ca 0.25 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ucn h ASP 107 Cb 0.24 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ucn h ASP 107 CO -0.02 1.22 -0.12 0.49 -1.72 0.00 0.00 179.24 179.10 1ucn n PHE 108 N -3.37 0.00 -4.19 4.55 3.72 -0.50 -5.07 117.46 112.59 1ucn n PHE 108 Ca -0.10 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.13 1ucn n PHE 108 Cb 1.01 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.49 1ucn n PHE 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ucn n ILE 110 N -0.59 0.22 -3.87 0.00 5.41 -1.26 -4.79 119.36 114.48 1ucn n ILE 110 Ca 0.04 0.07 -0.34 0.00 1.00 0.00 0.00 62.75 63.53 1ucn n ILE 110 Cb 0.62 -1.21 -0.05 0.00 -0.71 0.00 0.00 39.64 38.29 1ucn n ILE 110 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1ucn s GLN 111 N -2.00 3.47 0.50 0.38 0.74 -1.26 -3.98 119.66 117.51 1ucn s GLN 111 Ca 0.00 -0.25 0.21 0.00 0.05 0.00 0.00 55.36 55.36 1ucn s GLN 111 Cb 0.00 -3.09 1.28 0.00 1.10 0.00 0.00 33.01 32.30 1ucn s GLN 111 CO 0.00 0.67 2.02 -0.24 -0.55 0.00 0.00 175.29 177.19 1ucn h VAL 112 N 2.90 0.83 0.00 1.34 3.04 -1.95 -0.85 116.25 121.55 1ucn h VAL 112 Ca -0.49 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1ucn h VAL 112 Cb 1.19 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1ucn h VAL 112 CO 0.68 0.02 0.00 1.23 -1.01 0.00 0.00 177.57 178.49 1ucn h GLY 113 N 0.10 0.00 -5.93 3.17 0.00 -1.94 -3.30 103.07 95.17 1ucn h GLY 113 Ca 0.21 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.97 1ucn h GLY 113 CO -0.02 0.00 -0.84 0.54 0.00 0.00 0.00 176.54 176.22 1ucn n ARG 114 N -3.06 1.93 -1.30 4.80 5.12 -0.34 -4.93 116.66 118.88 1ucn n ARG 114 Ca 0.03 -4.11 -0.28 0.00 -1.93 0.00 0.00 57.85 51.56 1ucn n ARG 114 Cb 0.43 -1.88 0.12 0.00 -1.16 0.00 0.00 32.46 29.98 1ucn n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1ucn n ASN 115 N 0.71 5.67 0.00 0.55 6.94 -1.13 -4.35 115.26 123.65 1ucn n ASN 115 Ca 0.27 -3.72 0.00 0.00 -0.02 0.00 0.00 54.58 51.11 1ucn n ASN 115 Cb 0.48 -0.86 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 1ucn n ASN 115 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 1ucn n ILE 116 N -1.01 0.00 -3.78 1.53 -5.35 -1.26 -4.70 119.36 104.80 1ucn n ILE 116 Ca 0.58 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.97 1ucn n ILE 116 Cb 1.08 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.93 1ucn n ILE 116 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1ucn s ILE 117 N 0.00 0.04 0.20 7.28 2.07 -1.26 -0.14 121.20 129.39 1ucn s ILE 117 Ca 0.00 -0.89 -0.20 0.00 -1.41 0.00 0.00 60.65 58.15 1ucn s ILE 117 Cb 0.00 -1.59 0.04 0.00 0.13 0.00 0.00 42.46 41.03 1ucn s ILE 117 CO 0.00 -0.18 0.58 -0.83 -1.91 0.00 0.00 174.94 172.60 1ucn s GLY 118 N -2.89 -0.23 -0.04 1.50 0.00 -0.68 -4.90 107.32 100.07 1ucn s GLY 118 Ca 0.10 -0.05 -0.30 0.00 0.00 0.00 0.00 44.72 44.48 1ucn s GLY 118 CO -0.03 -0.12 0.94 -0.32 0.00 0.00 0.00 173.10 173.57 1ucn s GLY 119 N -2.85 -0.42 0.38 0.20 0.00 -1.26 -0.80 107.32 102.57 1ucn s GLY 119 Ca 0.07 1.18 -0.25 0.00 0.00 0.00 0.00 44.72 45.73 1ucn s GLY 119 CO -0.04 0.42 0.81 1.44 0.00 0.00 0.00 173.10 175.73 1ucn n SER 120 N -0.14 0.32 -0.45 1.64 7.64 -0.27 -4.93 113.62 117.43 1ucn n SER 120 Ca -0.07 1.02 0.04 0.00 1.01 0.00 0.00 58.87 60.87 1ucn n SER 120 Cb 0.61 -1.23 0.11 0.00 -1.01 0.00 0.00 64.21 62.70 1ucn n SER 120 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1ucn n ASP 121 N 1.02 2.69 -3.49 6.43 3.85 -1.26 -4.76 116.55 121.04 1ucn n ASP 121 Ca 0.11 -2.09 -0.13 0.00 -0.71 0.00 0.00 54.79 51.97 1ucn n ASP 121 Cb 0.37 -0.19 -0.04 0.00 -1.35 0.00 0.00 41.12 39.92 1ucn n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1ucn s SER 122 N -1.10 -0.53 0.42 -1.12 1.04 -1.26 -4.94 113.70 106.21 1ucn s SER 122 Ca 0.18 0.28 0.11 0.00 0.48 0.00 0.00 55.95 57.00 1ucn s SER 122 Cb 0.10 0.49 0.90 0.00 0.10 0.00 0.00 66.02 67.62 1ucn s SER 122 CO 0.10 -0.70 1.99 0.58 0.98 0.00 0.00 173.24 176.19 1ucn h VAL 123 N 2.39 1.13 0.04 5.02 2.07 -1.95 -0.06 116.25 124.89 1ucn h VAL 123 Ca -0.27 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1ucn h VAL 123 Cb 1.22 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1ucn h VAL 123 CO 0.36 0.17 -0.02 -0.08 0.02 0.00 0.00 177.57 178.02 1ucn h GLU 124 N 0.21 -0.05 -0.57 1.57 4.81 -1.97 -2.71 114.58 115.87 1ucn h GLU 124 Ca 0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1ucn h GLU 124 Cb 0.24 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1ucn h GLU 124 CO 0.01 0.36 0.24 0.77 -0.73 0.00 0.00 179.01 179.66 1ucn h SER 125 N -0.48 0.74 0.19 1.04 0.02 -1.90 -2.41 113.55 110.75 1ucn h SER 125 Ca -0.01 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1ucn h SER 125 Cb 0.44 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 1ucn h SER 125 CO 0.01 0.66 -0.27 0.00 -1.14 0.00 0.00 176.83 176.09 1ucn h ALA 126 N 1.46 -0.50 -0.87 3.77 0.00 -0.93 0.28 119.26 122.45 1ucn h ALA 126 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ucn h ALA 126 Cb 0.14 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1ucn h ALA 126 CO -0.02 -0.82 0.47 0.93 0.00 0.00 0.00 179.25 179.80 1ucn h GLU 127 N -0.52 1.23 0.24 0.00 4.39 -1.36 0.16 114.58 118.71 1ucn h GLU 127 Ca 0.01 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1ucn h GLU 127 Cb 0.51 -0.24 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1ucn h GLU 127 CO -0.11 0.91 -0.11 -0.22 -1.16 0.00 0.00 179.01 178.32 1ucn h LYS 128 N 1.22 -0.31 -0.52 2.33 3.64 -1.03 -1.29 116.57 120.62 1ucn h LYS 128 Ca 0.31 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1ucn h LYS 128 Cb 0.05 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1ucn h LYS 128 CO -0.05 -0.17 0.09 0.93 -2.27 0.00 0.00 179.45 177.98 1ucn h GLU 129 N -0.36 0.81 -0.42 1.90 5.08 -0.21 -1.89 114.58 119.48 1ucn h GLU 129 Ca -0.03 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1ucn h GLU 129 Cb 0.28 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1ucn h GLU 129 CO 0.05 0.75 0.02 0.82 -1.00 0.00 0.00 179.01 179.66 1ucn h ILE 130 N 0.77 1.22 0.00 3.13 2.04 -0.49 -1.26 117.51 122.92 1ucn h ILE 130 Ca 0.17 -0.88 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1ucn h ILE 130 Cb 0.34 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1ucn h ILE 130 CO 0.00 0.31 -0.46 1.23 0.00 0.00 0.00 178.15 179.23 1ucn h GLY 131 N 0.92 0.00 1.19 5.37 0.00 -0.63 -1.81 103.07 108.10 1ucn h GLY 131 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.18 1ucn h GLY 131 CO 0.01 0.00 -1.18 1.41 0.00 0.00 0.00 176.54 176.79 1ucn h LEU 132 N 0.00 0.87 0.00 3.11 3.38 -0.57 -3.38 115.31 118.72 1ucn h LEU 132 Ca -0.00 -0.81 -0.13 0.00 0.09 0.00 0.00 57.88 57.02 1ucn h LEU 132 Cb 0.93 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1ucn h LEU 132 CO 0.06 1.58 -1.59 0.79 0.09 0.00 0.00 178.44 179.37 1ucn n TRP 133 N -3.83 0.66 -4.59 1.13 7.02 -0.56 -4.97 117.44 112.29 1ucn n TRP 133 Ca -0.13 0.21 -0.29 0.00 -1.02 0.00 0.00 57.50 56.27 1ucn n TRP 133 Cb 0.95 -0.94 -0.14 0.00 -2.42 0.00 0.00 31.31 28.77 1ucn n TRP 133 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1ucn s PHE 134 N -3.06 2.29 0.19 -5.99 0.08 -0.68 -5.10 117.98 105.71 1ucn s PHE 134 Ca -0.04 -0.39 -0.17 0.00 0.12 0.00 0.00 56.93 56.44 1ucn s PHE 134 Cb 0.09 -1.29 -0.08 0.00 -0.57 0.00 0.00 43.02 41.18 1ucn s PHE 134 CO 0.83 0.25 0.65 -1.01 -0.10 0.00 0.00 175.22 175.84 1ucn s HIS 135 N -0.96 3.63 0.54 0.36 3.76 -1.26 -4.61 115.29 116.74 1ucn s HIS 135 Ca 0.13 1.25 0.30 0.00 -0.15 0.00 0.00 55.06 56.59 1ucn s HIS 135 Cb -0.10 -2.51 1.46 0.00 1.11 0.00 0.00 32.58 32.54 1ucn s HIS 135 CO 0.04 0.37 1.92 -1.00 -0.85 0.00 0.00 174.74 175.22 1ucn h PRO 136 N 3.46 0.00 0.00 8.40 0.13 -1.95 0.17 132.00 142.21 1ucn h PRO 136 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ucn h PRO 136 Cb 1.19 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ucn h PRO 136 CO 0.65 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.81 1ucn n GLU 137 N -4.29 0.17 -0.04 0.86 4.71 -1.26 -2.78 120.64 118.01 1ucn n GLU 137 Ca 0.16 0.06 0.12 0.00 -0.01 0.00 0.00 57.16 57.50 1ucn n GLU 137 Cb 0.88 -1.50 0.44 0.00 -1.01 0.00 0.00 31.44 30.24 1ucn n GLU 137 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1ucn n GLU 138 N -1.40 1.73 -3.66 3.49 1.02 0.58 -4.71 120.64 117.70 1ucn n GLU 138 Ca 0.09 -1.08 -0.39 0.00 -0.02 0.00 0.00 57.16 55.76 1ucn n GLU 138 Cb 0.25 -1.44 -0.12 0.00 -0.02 0.00 0.00 31.44 30.11 1ucn n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1ucn s LEU 139 N -1.78 4.26 -0.03 -4.62 1.43 -1.12 -4.39 118.68 112.43 1ucn s LEU 139 Ca 0.35 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 1ucn s LEU 139 Cb 0.19 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.38 1ucn s LEU 139 CO 0.30 -0.26 0.39 -0.69 0.23 0.00 0.00 176.35 176.32 1ucn s VAL 140 N 1.57 5.09 -0.21 -1.59 1.01 -0.29 -5.02 120.40 120.96 1ucn s VAL 140 Ca 0.03 0.80 -0.08 0.00 0.00 0.00 0.00 61.98 62.73 1ucn s VAL 140 Cb -0.18 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1ucn s VAL 140 CO 0.06 0.54 0.08 -0.62 0.00 0.00 0.00 175.10 175.15 1ucn s ASP 141 N -0.78 5.52 0.13 3.32 3.68 -1.26 -4.76 116.67 122.52 1ucn s ASP 141 Ca 0.23 -0.01 -0.24 0.00 2.13 0.00 0.00 52.55 54.66 1ucn s ASP 141 Cb -0.16 -1.97 0.07 0.00 -1.45 0.00 0.00 42.92 39.41 1ucn s ASP 141 CO 0.12 0.09 0.71 -0.72 0.13 0.00 0.00 175.17 175.50 1ucn s TYR 142 N 0.86 -0.42 -0.18 -5.34 1.13 -1.26 -5.16 117.35 106.98 1ucn s TYR 142 Ca 0.04 0.19 -0.04 0.00 -1.41 0.00 0.00 57.07 55.85 1ucn s TYR 142 Cb -0.14 0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 41.28 1ucn s TYR 142 CO 0.02 -0.82 -0.04 0.99 -2.51 0.00 0.00 175.55 173.19 1ucn s THR 143 N -3.58 3.72 0.30 -3.49 2.01 -1.26 -5.09 115.64 108.24 1ucn s THR 143 Ca 0.04 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 1ucn s THR 143 Cb -0.02 -2.65 -0.10 0.00 0.01 0.00 0.00 72.50 69.74 1ucn s THR 143 CO -0.08 0.46 1.40 -0.55 -0.69 0.00 0.00 174.62 175.16 1ucn s SER 144 N 0.76 6.65 0.51 3.53 0.15 -1.26 -4.88 113.70 119.16 1ucn s SER 144 Ca -0.01 2.74 0.34 0.00 0.70 0.00 0.00 55.95 59.71 1ucn s SER 144 Cb -0.15 -2.64 1.69 0.00 -1.71 0.00 0.00 66.02 63.22 1ucn s SER 144 CO 0.02 -0.67 2.03 0.00 1.20 0.00 0.00 173.24 175.82 1ucn n ALA 146 N -1.98 2.40 -0.36 0.00 0.00 -1.26 -4.63 120.51 114.68 1ucn n ALA 146 Ca -0.01 -1.13 -0.02 0.00 0.00 0.00 0.00 53.44 52.29 1ucn n ALA 146 Cb 0.15 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 18.70 1ucn n ALA 146 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ucn h GLN 147 N 4.02 -0.02 0.00 0.00 5.75 -1.55 0.84 115.11 124.15 1ucn h GLN 147 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1ucn h GLN 147 Cb 0.91 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.47 1ucn h GLN 147 CO 0.00 -0.01 0.00 0.09 -2.65 0.00 0.00 178.83 176.26 1ucn n ASN 148 N -5.46 0.50 -0.00 -0.69 3.02 -1.26 -1.74 115.26 109.63 1ucn n ASN 148 Ca 0.09 0.62 0.10 0.00 -0.03 0.00 0.00 54.58 55.36 1ucn n ASN 148 Cb 0.39 -0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 38.72 1ucn n ASN 148 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ucn n TRP 149 N -2.05 0.00 -0.10 3.10 7.02 0.19 -4.32 117.44 121.28 1ucn n TRP 149 Ca 0.03 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.37 1ucn n TRP 149 Cb 0.23 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 28.98 1ucn n TRP 149 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1ucn n ILE 150 N -1.49 1.47 -4.60 -0.99 5.41 -0.61 -4.98 119.36 113.58 1ucn n ILE 150 Ca 0.04 -0.71 -0.25 0.00 1.00 0.00 0.00 62.75 62.83 1ucn n ILE 150 Cb 0.33 -1.01 -0.14 0.00 -0.71 0.00 0.00 39.64 38.11 1ucn n ILE 150 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1ucn s TYR 151 N -2.51 1.77 -2.00 1.39 2.02 -0.71 -5.02 117.35 112.29 1ucn s TYR 151 Ca -0.22 -0.38 0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1ucn s TYR 151 Cb 0.08 -1.05 0.68 0.00 -0.40 0.00 0.00 41.96 41.26 1ucn s TYR 151 CO 0.72 0.10 1.11 0.39 -1.57 0.00 0.00 175.55 176.30