#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ucy s VAL 17 N 0.00 4.03 -0.67 1.39 1.01 -1.26 -3.80 120.40 121.09 1ucy s VAL 17 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1ucy s VAL 17 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.56 1ucy s VAL 17 CO 0.00 0.44 0.00 -0.62 0.00 0.00 0.00 175.10 174.92 1ucy n GLU 18 N 4.11 -0.63 -1.91 2.72 -0.58 -1.26 -5.04 120.64 118.05 1ucy n GLU 18 Ca -0.17 0.38 -0.08 0.00 -0.42 0.00 0.00 57.16 56.87 1ucy n GLU 18 Cb 0.52 -4.32 0.02 0.00 -0.57 0.00 0.00 31.44 27.09 1ucy n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ucy n GLY 19 N -1.01 2.11 3.23 0.62 0.00 -1.26 -5.14 105.19 103.74 1ucy n GLY 19 Ca -0.09 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 1ucy n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ucy s GLN 20 N -3.03 1.16 0.23 1.61 -2.07 -1.26 -5.11 119.66 111.19 1ucy s GLN 20 Ca 0.22 -1.59 -0.31 0.00 -1.82 0.00 0.00 55.36 51.87 1ucy s GLN 20 Cb -0.02 -0.04 -0.11 0.00 -1.09 0.00 0.00 33.01 31.75 1ucy s GLN 20 CO 0.14 -0.25 1.55 -0.51 -1.32 0.00 0.00 175.29 174.90 1ucy s ASP 21 N -3.18 6.52 0.34 12.60 1.11 -1.26 -4.97 116.67 127.83 1ucy s ASP 21 Ca 0.30 2.76 -0.25 0.00 0.18 0.00 0.00 52.55 55.54 1ucy s ASP 21 Cb 0.07 -2.62 -0.10 0.00 1.07 0.00 0.00 42.92 41.34 1ucy s ASP 21 CO 0.07 -0.83 0.94 0.00 1.18 0.00 0.00 175.17 176.53 1ucy s ALA 22 N 0.44 3.19 0.64 5.23 0.00 -1.26 -5.03 121.76 124.97 1ucy s ALA 22 Ca 0.65 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 1ucy s ALA 22 Cb -0.45 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 1ucy s ALA 22 CO 0.40 0.17 1.21 -1.21 0.00 0.00 0.00 175.76 176.33 1ucy s GLU 23 N -2.23 2.69 0.45 0.00 2.02 -1.26 -4.94 118.70 115.44 1ucy s GLU 23 Ca 0.52 1.80 -0.24 0.00 0.02 0.00 0.00 54.97 57.07 1ucy s GLU 23 Cb -0.17 -1.90 -0.07 0.00 0.10 0.00 0.00 34.13 32.09 1ucy s GLU 23 CO 0.22 -1.42 1.23 0.14 0.02 0.00 0.00 175.26 175.45 1ucy s VAL 24 N -1.73 2.83 0.00 2.63 -7.23 -1.26 -2.51 120.40 113.13 1ucy s VAL 24 Ca 0.76 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 61.60 1ucy s VAL 24 Cb -0.30 -3.36 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1ucy s VAL 24 CO 0.38 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 1ucy n GLY 25 N 0.58 0.59 0.36 2.32 0.00 -1.26 -4.89 105.19 102.89 1ucy n GLY 25 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1ucy n GLY 25 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ucy h LEU 26 N 0.00 0.85 -6.27 0.99 5.85 -1.86 -3.30 115.31 111.58 1ucy h LEU 26 Ca 0.00 0.01 -0.58 0.00 0.84 0.00 0.00 57.88 58.15 1ucy h LEU 26 Cb 0.09 -0.17 -0.40 0.00 0.37 0.00 0.00 40.66 40.55 1ucy h LEU 26 CO 0.00 0.54 -0.91 -0.24 -0.34 0.00 0.00 178.44 177.49 1ucy n SER 27 N -4.50 1.03 0.08 1.25 2.88 -1.26 -4.97 113.62 108.13 1ucy n SER 27 Ca 0.14 -2.81 0.05 0.00 -1.33 0.00 0.00 58.87 54.92 1ucy n SER 27 Cb 0.23 -0.64 0.28 0.00 -0.75 0.00 0.00 64.21 63.34 1ucy n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ucy n PRO 28 N 1.75 0.07 0.00 -1.46 -0.04 -1.25 -1.00 135.00 133.07 1ucy n PRO 28 Ca 0.25 0.56 0.12 0.00 -0.04 0.00 0.00 63.50 64.39 1ucy n PRO 28 Cb 0.47 -1.72 0.24 0.00 -0.04 0.00 0.00 33.50 32.45 1ucy n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ucy n TRP 29 N -1.86 0.00 -2.01 0.54 2.14 -1.02 -2.11 117.44 113.12 1ucy n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1ucy n TRP 29 Cb 0.02 -0.10 -0.03 0.00 -0.81 0.00 0.00 31.31 30.40 1ucy n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ucy s GLN 30 N -2.57 4.11 0.05 -2.67 2.00 -0.17 -0.76 119.66 119.65 1ucy s GLN 30 Ca 0.21 2.13 0.06 0.00 -2.00 0.00 0.00 55.36 55.75 1ucy s GLN 30 Cb 0.19 -4.00 -0.04 0.00 0.80 0.00 0.00 33.01 29.96 1ucy s GLN 30 CO 0.57 -0.93 -0.11 0.08 -0.50 0.00 0.00 175.29 174.41 1ucy s VAL 31 N 4.27 3.34 -0.24 1.34 1.01 -0.30 -4.06 120.40 125.76 1ucy s VAL 31 Ca 0.74 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 1ucy s VAL 31 Cb -0.32 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1ucy s VAL 31 CO 0.30 0.26 -0.02 -0.32 0.00 0.00 0.00 175.10 175.32 1ucy s MET 32 N -1.75 3.20 -0.22 2.72 1.75 0.96 -2.07 119.30 123.89 1ucy s MET 32 Ca 0.18 -0.75 -0.25 0.00 -1.25 0.00 0.00 55.69 53.62 1ucy s MET 32 Cb -0.11 -3.08 -0.01 0.00 2.84 0.00 0.00 34.83 34.47 1ucy s MET 32 CO 0.10 -0.29 0.83 -1.17 -0.65 0.00 0.00 175.02 173.84 1ucy s LEU 33 N 1.45 4.11 0.10 4.11 2.96 -0.45 -0.42 118.68 130.54 1ucy s LEU 33 Ca 0.04 1.09 0.05 0.00 -0.22 0.00 0.00 54.13 55.09 1ucy s LEU 33 Cb -0.15 -3.21 -0.03 0.00 0.50 0.00 0.00 46.19 43.29 1ucy s LEU 33 CO -0.02 -0.48 -0.12 0.12 -1.32 0.00 0.00 176.35 174.52 1ucy s PHE 34 N 2.61 1.22 -0.15 5.38 5.36 -0.51 -0.75 117.98 131.14 1ucy s PHE 34 Ca 0.36 -0.57 -0.08 0.00 -0.96 0.00 0.00 56.93 55.68 1ucy s PHE 34 Cb -0.16 -0.66 -0.04 0.00 -0.34 0.00 0.00 43.02 41.82 1ucy s PHE 34 CO 0.09 0.07 0.13 0.50 -1.46 0.00 0.00 175.22 174.54 1ucy s ARG 35 N -2.50 3.73 0.05 10.12 3.52 -0.48 -0.04 118.95 133.36 1ucy s ARG 35 Ca 0.05 -0.19 -0.27 0.00 -0.13 0.00 0.00 55.73 55.19 1ucy s ARG 35 Cb -0.05 -3.26 -0.17 0.00 -1.56 0.00 0.00 34.95 29.91 1ucy s ARG 35 CO 0.02 0.57 1.54 0.87 -0.81 0.00 0.00 175.30 177.48 1ucy h LYS 36 N 5.73 -0.35 -2.72 5.12 1.57 -0.83 -3.27 116.57 121.81 1ucy h LYS 36 Ca -0.48 0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.17 1ucy h LYS 36 Cb 1.19 0.08 -0.29 0.00 0.08 0.00 0.00 32.23 33.30 1ucy h LYS 36 CO 0.65 -0.15 -0.40 -1.12 -0.57 0.00 0.00 179.45 177.86 1ucy s SER 36 N -4.97 -0.20 0.68 0.86 0.01 -1.26 -3.50 113.70 105.31 1ucy s SER 36 Ca -0.15 0.79 -0.13 0.00 1.31 0.00 0.00 55.95 57.77 1ucy s SER 36 Cb 0.04 0.86 0.00 0.00 0.21 0.00 0.00 66.02 67.13 1ucy s SER 36 CO 0.62 -0.21 1.08 -2.16 0.41 0.00 0.00 173.24 172.98 1ucy s PRO 37 N 1.96 2.86 -0.03 12.44 0.04 -1.26 -5.08 135.00 145.94 1ucy s PRO 37 Ca -0.05 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.86 1ucy s PRO 37 Cb -0.11 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1ucy s PRO 37 CO -0.11 -1.18 1.38 -0.65 0.04 0.00 0.00 177.00 176.48 1ucy s GLN 38 N -4.53 4.28 -0.15 4.56 -0.21 -1.23 -4.67 119.66 117.72 1ucy s GLN 38 Ca 0.62 1.91 -0.32 0.00 0.02 0.00 0.00 55.36 57.60 1ucy s GLN 38 Cb -0.17 -3.62 0.13 0.00 1.00 0.00 0.00 33.01 30.36 1ucy s GLN 38 CO 0.47 -0.59 1.10 -1.83 -2.12 0.00 0.00 175.29 172.31 1ucy s GLU 39 N 2.61 0.47 -0.03 2.91 -1.05 -1.23 -4.97 118.70 117.41 1ucy s GLU 39 Ca 0.63 -0.08 -0.30 0.00 -0.15 0.00 0.00 54.97 55.06 1ucy s GLU 39 Cb -0.30 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.56 1ucy s GLU 39 CO 0.25 -0.19 1.42 -1.17 0.95 0.00 0.00 175.26 176.52 1ucy s LEU 40 N -1.87 4.30 -0.24 1.83 1.98 -1.26 -1.38 118.68 122.04 1ucy s LEU 40 Ca 0.06 2.09 -0.03 0.00 -2.89 0.00 0.00 54.13 53.35 1ucy s LEU 40 Cb -0.01 -3.55 -0.14 0.00 0.66 0.00 0.00 46.19 43.15 1ucy s LEU 40 CO -0.05 -0.75 -0.25 0.18 -1.89 0.00 0.00 176.35 173.59 1ucy n LEU 41 N 5.76 2.60 0.00 -0.68 4.77 0.07 -4.94 117.00 124.57 1ucy n LEU 41 Ca 0.14 0.01 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1ucy n LEU 41 Cb 0.44 -0.81 0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1ucy n LEU 41 CO 0.59 0.78 0.71 0.00 -1.33 0.00 0.00 177.39 178.14 1ucy s GLY 43 N -3.25 2.02 0.11 0.00 0.00 -1.26 -1.35 107.32 103.58 1ucy s GLY 43 Ca 0.20 -1.77 -0.26 0.00 0.00 0.00 0.00 44.72 42.89 1ucy s GLY 43 CO 0.03 -1.58 1.06 0.00 0.00 0.00 0.00 173.10 172.60 1ucy s ALA 44 N -2.42 -1.81 -0.02 3.20 0.00 -0.88 -4.69 121.76 115.13 1ucy s ALA 44 Ca 0.52 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.76 1ucy s ALA 44 Cb -0.07 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.62 1ucy s ALA 44 CO 0.31 -1.05 -0.10 -1.54 0.00 0.00 0.00 175.76 173.38 1ucy s SER 45 N -2.99 1.31 -0.31 0.00 1.04 0.04 -1.15 113.70 111.64 1ucy s SER 45 Ca 0.13 -0.20 -0.28 0.00 0.48 0.00 0.00 55.95 56.08 1ucy s SER 45 Cb 0.00 -0.31 0.01 0.00 0.10 0.00 0.00 66.02 65.83 1ucy s SER 45 CO 0.01 0.09 1.01 -0.22 0.98 0.00 0.00 173.24 175.11 1ucy s LEU 46 N 0.09 3.98 0.00 2.42 2.96 0.07 -0.25 118.68 127.94 1ucy s LEU 46 Ca -0.02 1.00 0.16 0.00 -0.22 0.00 0.00 54.13 55.05 1ucy s LEU 46 Cb -0.08 -3.45 0.41 0.00 0.50 0.00 0.00 46.19 43.57 1ucy s LEU 46 CO 0.00 -0.81 1.33 2.30 -1.32 0.00 0.00 176.35 177.86 1ucy n ILE 47 N 5.75 0.88 0.00 6.68 -5.35 -0.49 -2.14 119.36 124.69 1ucy n ILE 47 Ca 0.10 -0.94 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 1ucy n ILE 47 Cb 0.47 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.97 1ucy n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1ucy n SER 48 N 0.98 0.00 0.00 7.28 3.41 -1.21 -4.68 113.62 119.40 1ucy n SER 48 Ca 0.16 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.87 1ucy n SER 48 Cb 0.50 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.95 1ucy n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1ucy n ASP 49 N 0.00 0.00 0.00 4.04 5.75 -1.26 -3.64 116.55 121.44 1ucy n ASP 49 Ca 0.00 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1ucy n ASP 49 Cb 0.00 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 1ucy n ASP 49 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ucy n ARG 50 N -1.34 2.56 -4.55 0.11 0.63 -1.26 0.24 116.66 113.04 1ucy n ARG 50 Ca 0.09 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.68 1ucy n ARG 50 Cb 0.19 -0.79 -0.13 0.00 0.45 0.00 0.00 32.46 32.18 1ucy n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1ucy s TRP 51 N -1.15 2.95 -0.06 -0.14 0.52 -1.24 -0.78 118.94 119.04 1ucy s TRP 51 Ca 0.00 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 55.84 1ucy s TRP 51 Cb 0.00 -1.88 -0.02 0.00 -1.15 0.00 0.00 33.47 30.42 1ucy s TRP 51 CO 0.00 -0.02 -0.22 0.08 0.02 0.00 0.00 176.95 176.82 1ucy s VAL 52 N 0.14 2.37 -0.07 4.03 1.01 0.30 -1.40 120.40 126.79 1ucy s VAL 52 Ca -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1ucy s VAL 52 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1ucy s VAL 52 CO 0.03 0.57 -0.00 -0.22 0.00 0.00 0.00 175.10 175.49 1ucy s LEU 53 N -0.31 3.55 0.00 3.92 2.96 0.65 0.23 118.68 129.68 1ucy s LEU 53 Ca 0.01 0.11 -0.14 0.00 -0.22 0.00 0.00 54.13 53.90 1ucy s LEU 53 Cb -0.13 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 44.76 1ucy s LEU 53 CO 0.02 0.36 0.73 1.07 -1.32 0.00 0.00 176.35 177.21 1ucy n THR 54 N 1.98 0.00 -2.92 3.68 5.66 -0.36 -0.78 114.28 121.55 1ucy n THR 54 Ca -0.18 -0.94 -0.40 0.00 -3.05 0.00 0.00 64.05 59.49 1ucy n THR 54 Cb 0.53 0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 70.18 1ucy n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ucy s ALA 55 N -2.02 3.42 0.43 1.79 0.00 -1.26 -1.04 121.76 123.08 1ucy s ALA 55 Ca 0.15 0.43 0.11 0.00 0.00 0.00 0.00 51.96 52.65 1ucy s ALA 55 Cb -0.05 -3.03 0.95 0.00 0.00 0.00 0.00 23.12 21.00 1ucy s ALA 55 CO 0.11 0.27 2.02 0.00 0.00 0.00 0.00 175.76 178.16 1ucy h ALA 56 N 4.27 1.70 0.00 0.00 0.00 -1.74 -1.62 119.26 121.87 1ucy h ALA 56 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1ucy h ALA 56 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ucy h ALA 56 CO 0.67 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.75 1ucy n HIS 57 N -4.40 0.85 0.27 0.00 1.44 -1.25 -0.40 115.22 111.73 1ucy n HIS 57 Ca -0.01 0.32 0.16 0.00 -2.01 0.00 0.00 57.72 56.18 1ucy n HIS 57 Cb 0.17 -1.02 0.72 0.00 0.12 0.00 0.00 29.99 29.98 1ucy n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ucy n LEU 59 N -3.23 1.64 -3.82 0.00 4.77 -0.81 -4.91 117.00 110.64 1ucy n LEU 59 Ca -0.00 -0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.67 1ucy n LEU 59 Cb 0.29 -0.06 -0.16 0.00 -2.33 0.00 0.00 43.42 41.16 1ucy n LEU 59 CO 0.28 0.37 -0.39 -0.22 -1.33 0.00 0.00 177.39 176.10 1ucy s LEU 60 N -4.87 1.74 0.17 2.23 2.96 0.46 -1.07 118.68 120.31 1ucy s LEU 60 Ca -0.05 -0.96 -0.14 0.00 -0.22 0.00 0.00 54.13 52.76 1ucy s LEU 60 Cb 0.02 -0.83 0.01 0.00 0.50 0.00 0.00 46.19 45.89 1ucy s LEU 60 CO 0.15 -0.28 0.40 -0.47 -1.32 0.00 0.00 176.35 174.84 1ucy s TYR 60 N 1.67 0.10 0.00 5.38 5.04 0.53 -3.94 117.35 126.12 1ucy s TYR 60 Ca -0.03 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 1ucy s TYR 60 Cb -0.18 0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.32 1ucy s TYR 60 CO -0.07 -0.81 0.00 -2.30 -1.34 0.00 0.00 175.55 171.03 1ucy n PRO 60 N -0.27 0.00 -0.36 4.97 -0.02 -1.26 -2.62 135.00 135.44 1ucy n PRO 60 Ca -0.10 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.46 1ucy n PRO 60 Cb 0.63 -0.16 0.23 0.00 -0.02 0.00 0.00 33.50 34.18 1ucy n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ucy n TRP 60 N -0.01 0.79 -3.60 6.00 7.02 -1.26 -4.96 117.44 121.42 1ucy n TRP 60 Ca 0.00 -0.76 -0.21 0.00 -1.02 0.00 0.00 57.50 55.51 1ucy n TRP 60 Cb 0.00 -0.22 0.06 0.00 -2.42 0.00 0.00 31.31 28.73 1ucy n TRP 60 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1ucy n ASP 60 N -0.19 -2.75 -4.23 -0.99 2.03 -1.15 -4.99 116.55 104.28 1ucy n ASP 60 Ca 0.18 -0.69 -0.35 0.00 0.52 0.00 0.00 54.79 54.45 1ucy n ASP 60 Cb 0.74 -4.63 -0.14 0.00 -0.72 0.00 0.00 41.12 36.37 1ucy n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1ucy s LYS 60 N -5.85 2.95 -0.44 -0.67 2.20 -1.08 -5.00 119.74 111.85 1ucy s LYS 60 Ca 0.17 -0.91 0.06 0.00 -0.36 0.00 0.00 55.97 54.93 1ucy s LYS 60 Cb -0.08 -3.02 0.22 0.00 -1.51 0.00 0.00 37.83 33.45 1ucy s LYS 60 CO 0.77 -0.37 0.62 -1.71 -0.36 0.00 0.00 175.35 174.30 1ucy n ASN 60 N 4.71 -1.39 -4.75 1.43 2.85 -1.20 -0.34 115.26 116.57 1ucy n ASN 60 Ca -0.17 -2.83 -0.41 0.00 -0.11 0.00 0.00 54.58 51.06 1ucy n ASN 60 Cb 0.48 0.45 -0.04 0.00 1.24 0.00 0.00 39.78 41.90 1ucy n ASN 60 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ucy s PHE 60 N -0.08 3.63 0.26 1.20 0.08 -0.23 -5.02 117.98 117.82 1ucy s PHE 60 Ca 0.33 1.67 0.03 0.00 0.12 0.00 0.00 56.93 59.08 1ucy s PHE 60 Cb 0.13 -3.24 0.03 0.00 -0.57 0.00 0.00 43.02 39.37 1ucy s PHE 60 CO -0.16 -0.46 0.26 0.25 -0.10 0.00 0.00 175.22 175.00 1ucy n THR 60 N 1.86 0.00 -0.00 0.64 -2.24 -1.26 -4.86 114.28 108.42 1ucy n THR 60 Ca 0.01 -0.97 0.03 0.00 -2.27 0.00 0.00 64.05 60.85 1ucy n THR 60 Cb 0.46 -0.46 0.41 0.00 -2.10 0.00 0.00 70.33 68.64 1ucy n THR 60 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ucy h VAL 61 N 0.38 1.12 -0.20 2.28 2.07 -1.94 -2.77 116.25 117.19 1ucy h VAL 61 Ca -0.15 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ucy h VAL 61 Cb 0.59 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1ucy h VAL 61 CO 0.23 0.12 0.00 0.47 0.02 0.00 0.00 177.57 178.41 1ucy n ASP 62 N -4.45 1.26 -0.01 0.57 8.00 -1.26 -3.56 116.55 117.09 1ucy n ASP 62 Ca 0.03 -1.86 0.11 0.00 0.71 0.00 0.00 54.79 53.77 1ucy n ASP 62 Cb 0.08 -0.13 -0.17 0.00 -0.02 0.00 0.00 41.12 40.88 1ucy n ASP 62 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ucy n ASP 63 N 0.13 0.06 -4.51 -2.24 8.00 -1.05 -4.85 116.55 112.10 1ucy n ASP 63 Ca 0.11 -0.03 -0.30 0.00 0.71 0.00 0.00 54.79 55.28 1ucy n ASP 63 Cb 0.22 1.96 -0.11 0.00 -0.02 0.00 0.00 41.12 43.17 1ucy n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ucy s LEU 64 N -4.46 2.78 0.25 0.64 1.43 -1.23 -0.09 118.68 118.00 1ucy s LEU 64 Ca -0.07 -0.48 0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1ucy s LEU 64 Cb 0.14 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 1ucy s LEU 64 CO 0.90 0.20 -0.20 -0.76 0.23 0.00 0.00 176.35 176.72 1ucy s LEU 65 N -2.01 2.55 -0.10 1.79 1.43 0.94 -4.40 118.68 118.88 1ucy s LEU 65 Ca 0.18 -0.99 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 1ucy s LEU 65 Cb -0.11 -1.03 0.02 0.00 0.03 0.00 0.00 46.19 45.10 1ucy s LEU 65 CO 0.10 0.02 -0.14 0.54 0.23 0.00 0.00 176.35 177.10 1ucy s VAL 66 N -2.43 1.38 -0.28 -1.59 0.11 -0.09 -1.43 120.40 116.08 1ucy s VAL 66 Ca 0.27 -0.56 -0.04 0.00 -2.93 0.00 0.00 61.98 58.71 1ucy s VAL 66 Cb -0.05 -1.28 0.02 0.00 -1.53 0.00 0.00 36.38 33.55 1ucy s VAL 66 CO 0.13 0.42 0.01 -0.13 -3.33 0.00 0.00 175.10 172.19 1ucy s ARG 67 N 1.07 2.90 0.15 1.54 0.52 0.44 0.14 118.95 125.70 1ucy s ARG 67 Ca -0.05 -0.96 0.06 0.00 -0.52 0.00 0.00 55.73 54.25 1ucy s ARG 67 Cb -0.15 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1ucy s ARG 67 CO -0.02 -0.45 0.05 0.42 0.02 0.00 0.00 175.30 175.31 1ucy s ILE 68 N 1.39 4.06 0.00 1.52 1.09 0.51 -0.02 121.20 129.75 1ucy s ILE 68 Ca 0.01 -1.19 0.00 0.00 -1.10 0.00 0.00 60.65 58.37 1ucy s ILE 68 Cb -0.17 -3.02 0.00 0.00 -1.06 0.00 0.00 42.46 38.20 1ucy s ILE 68 CO -0.01 -0.05 0.00 0.61 -0.10 0.00 0.00 174.94 175.39 1ucy n GLY 69 N -0.00 0.50 3.88 6.18 0.00 -1.26 -1.13 105.19 113.35 1ucy n GLY 69 Ca -0.09 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.12 1ucy n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ucy s LYS 70 N -0.95 3.79 0.09 1.61 1.02 -1.26 -4.30 119.74 119.73 1ucy s LYS 70 Ca 0.00 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.42 1ucy s LYS 70 Cb 0.00 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.87 1ucy s LYS 70 CO 0.00 0.03 0.00 1.58 -0.92 0.00 0.00 175.35 176.04 1ucy n HIS 71 N -1.09 -0.19 -2.49 3.18 -0.00 -1.26 -4.97 115.22 108.41 1ucy n HIS 71 Ca 0.02 0.03 -0.39 0.00 -0.00 0.00 0.00 57.72 57.38 1ucy n HIS 71 Cb 0.54 0.06 -0.04 0.00 -0.00 0.00 0.00 29.99 30.54 1ucy n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ucy s SER 72 N -5.64 7.08 0.03 0.26 0.15 -1.26 -4.97 113.70 109.35 1ucy s SER 72 Ca 0.00 2.20 -0.18 0.00 0.70 0.00 0.00 55.95 58.68 1ucy s SER 72 Cb 0.00 -2.61 -0.25 0.00 -1.71 0.00 0.00 66.02 61.45 1ucy s SER 72 CO 0.00 -0.27 1.11 -0.09 1.20 0.00 0.00 173.24 175.19 1ucy h ARG 73 N 3.36 0.52 0.00 5.44 2.43 -1.98 -3.41 114.38 120.74 1ucy h ARG 73 Ca -0.47 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.11 1ucy h ARG 73 Cb 1.21 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1ucy h ARG 73 CO 0.65 1.21 -0.01 1.15 -1.51 0.00 0.00 179.97 181.46 1ucy h THR 74 N 0.07 0.00 -4.32 0.20 2.02 -2.02 -3.49 112.91 105.38 1ucy h THR 74 Ca -0.11 -0.75 -0.51 0.00 0.77 0.00 0.00 66.41 65.81 1ucy h THR 74 Cb 1.52 0.00 0.10 0.00 -1.74 0.00 0.00 68.15 68.04 1ucy h THR 74 CO 0.16 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.40 1ucy s ARG 75 N -1.43 2.61 -0.39 6.66 1.70 -1.26 -5.00 118.95 121.84 1ucy s ARG 75 Ca -0.00 0.91 -0.23 0.00 -0.47 0.00 0.00 55.73 55.93 1ucy s ARG 75 Cb 0.00 -1.96 0.01 0.00 -0.57 0.00 0.00 34.95 32.44 1ucy s ARG 75 CO 0.01 -1.32 0.78 -0.47 -1.08 0.00 0.00 175.30 173.22 1ucy s TYR 76 N -3.05 3.07 -0.94 5.89 5.04 -1.26 -4.87 117.35 121.23 1ucy s TYR 76 Ca 0.59 0.42 -0.18 0.00 -2.44 0.00 0.00 57.07 55.46 1ucy s TYR 76 Cb -0.15 -3.48 0.13 0.00 0.35 0.00 0.00 41.96 38.81 1ucy s TYR 76 CO 0.55 -0.82 1.14 -1.21 -1.34 0.00 0.00 175.55 173.87 1ucy s GLU 77 N 3.16 3.63 0.00 4.97 2.02 -1.26 -4.96 118.70 126.25 1ucy s GLU 77 Ca 0.31 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.48 1ucy s GLU 77 Cb -0.13 -4.92 0.00 0.00 0.10 0.00 0.00 34.13 29.18 1ucy s GLU 77 CO 0.19 -1.77 0.19 0.54 0.02 0.00 0.00 175.26 174.43 1ucy n ARG 77 N 6.47 0.00 -0.08 1.61 1.74 -1.26 -0.91 116.66 124.23 1ucy n ARG 77 Ca 0.25 0.19 -0.07 0.00 -0.77 0.00 0.00 57.85 57.45 1ucy n ARG 77 Cb 0.49 -0.45 -0.01 0.00 -1.02 0.00 0.00 32.46 31.47 1ucy n ARG 77 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1ucy h LYS 78 N 0.00 -0.02 0.20 5.56 6.56 -2.03 -3.34 116.57 123.51 1ucy h LYS 78 Ca 0.00 0.00 -0.33 0.00 -1.06 0.00 0.00 60.65 59.27 1ucy h LYS 78 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.69 1ucy h LYS 78 CO 0.00 -0.01 -1.54 -0.39 -2.06 0.00 0.00 179.45 175.45 1ucy h VAL 79 N -0.02 1.13 -3.59 0.50 -1.51 -1.89 -3.48 116.25 107.39 1ucy h VAL 79 Ca 0.15 -2.57 -0.52 0.00 -1.23 0.00 0.00 66.70 62.53 1ucy h VAL 79 Cb 0.25 2.91 0.04 0.00 -2.13 0.00 0.00 31.29 32.36 1ucy h VAL 79 CO -0.33 0.81 0.64 -0.70 -1.23 0.00 0.00 177.57 176.77 1ucy s GLU 80 N -2.56 4.39 -0.21 5.19 2.12 -0.09 -4.68 118.70 122.86 1ucy s GLU 80 Ca -0.14 2.11 0.01 0.00 0.36 0.00 0.00 54.97 57.32 1ucy s GLU 80 Cb 0.04 -3.14 0.04 0.00 0.26 0.00 0.00 34.13 31.34 1ucy s GLU 80 CO 0.88 -0.21 -0.11 0.15 -0.54 0.00 0.00 175.26 175.44 1ucy s LYS 81 N -0.82 2.10 0.07 4.30 -0.14 -0.28 -4.90 119.74 120.06 1ucy s LYS 81 Ca 0.53 -0.93 -0.12 0.00 -1.36 0.00 0.00 55.97 54.10 1ucy s LYS 81 Cb -0.38 -2.51 -0.06 0.00 -1.68 0.00 0.00 37.83 33.20 1ucy s LYS 81 CO 0.44 -0.45 0.42 0.42 -0.76 0.00 0.00 175.35 175.43 1ucy s ILE 82 N 1.34 5.04 0.17 2.17 1.01 -1.26 -0.36 121.20 129.31 1ucy s ILE 82 Ca -0.02 0.62 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 1ucy s ILE 82 Cb -0.17 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.60 1ucy s ILE 82 CO -0.08 0.37 0.22 -0.55 0.00 0.00 0.00 174.94 174.89 1ucy s SER 83 N -1.55 0.12 0.26 3.58 0.15 0.12 -4.96 113.70 111.41 1ucy s SER 83 Ca 0.31 -1.05 0.11 0.00 0.70 0.00 0.00 55.95 56.02 1ucy s SER 83 Cb -0.15 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.52 1ucy s SER 83 CO 0.17 -0.86 -0.15 -0.04 1.20 0.00 0.00 173.24 173.55 1ucy s MET 84 N -4.02 1.83 -0.12 5.44 1.00 -1.26 -0.91 119.30 121.26 1ucy s MET 84 Ca 0.23 -1.62 -0.10 0.00 0.00 0.00 0.00 55.69 54.20 1ucy s MET 84 Cb 0.05 -1.90 -0.05 0.00 0.00 0.00 0.00 34.83 32.93 1ucy s MET 84 CO 0.03 0.35 0.20 -0.51 0.00 0.00 0.00 175.02 175.10 1ucy s LEU 85 N -3.39 4.35 -0.13 -0.03 1.43 -1.26 -0.79 118.68 118.86 1ucy s LEU 85 Ca 0.29 0.51 -0.09 0.00 -1.03 0.00 0.00 54.13 53.80 1ucy s LEU 85 Cb -0.06 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 1ucy s LEU 85 CO 0.15 0.31 0.09 -0.78 0.23 0.00 0.00 176.35 176.35 1ucy h ASP 86 N 5.50 0.00 -3.26 2.29 3.58 0.04 -3.43 116.42 121.14 1ucy h ASP 86 Ca -0.50 -0.20 -0.46 0.00 0.42 0.00 0.00 57.03 56.29 1ucy h ASP 86 Cb 1.20 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 42.11 1ucy h ASP 86 CO 0.64 0.74 -0.64 -0.75 -2.88 0.00 0.00 179.24 176.36 1ucy s LYS 87 N -1.93 1.54 -0.02 0.28 2.36 -1.07 -4.99 119.74 115.91 1ucy s LYS 87 Ca -0.10 -1.81 0.01 0.00 -2.55 0.00 0.00 55.97 51.51 1ucy s LYS 87 Cb 0.01 -0.92 0.02 0.00 -1.05 0.00 0.00 37.83 35.89 1ucy s LYS 87 CO 0.23 -0.08 -0.01 0.42 1.55 0.00 0.00 175.35 177.46 1ucy s ILE 88 N -3.21 0.19 -0.18 5.43 1.01 -1.26 -2.02 121.20 121.14 1ucy s ILE 88 Ca 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 1ucy s ILE 88 Cb 0.06 -0.26 0.05 0.00 0.01 0.00 0.00 42.46 42.32 1ucy s ILE 88 CO 0.13 0.13 -0.03 -0.31 0.00 0.00 0.00 174.94 174.85 1ucy s TYR 89 N 0.81 1.66 -0.15 3.97 1.51 -0.40 -5.00 117.35 119.75 1ucy s TYR 89 Ca -0.08 -1.15 -0.06 0.00 -1.01 0.00 0.00 57.07 54.77 1ucy s TYR 89 Cb -0.11 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 1ucy s TYR 89 CO -0.01 -0.64 0.07 0.42 -1.11 0.00 0.00 175.55 174.28 1ucy s ILE 90 N 1.64 4.90 0.10 2.71 1.01 -1.26 -0.75 121.20 129.56 1ucy s ILE 90 Ca -0.01 -0.00 -0.33 0.00 0.00 0.00 0.00 60.65 60.30 1ucy s ILE 90 Cb -0.16 -3.17 -0.13 0.00 0.01 0.00 0.00 42.46 39.01 1ucy s ILE 90 CO -0.07 0.52 1.71 1.57 0.00 0.00 0.00 174.94 178.67 1ucy n HIS 91 N 2.93 2.41 0.22 3.97 -0.00 -0.96 -4.86 115.22 118.92 1ucy n HIS 91 Ca -0.18 0.09 0.18 0.00 -0.00 0.00 0.00 57.72 57.81 1ucy n HIS 91 Cb 0.53 -2.62 0.85 0.00 -0.00 0.00 0.00 29.99 28.75 1ucy n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ucy h PRO 92 N 7.30 0.00 -0.46 1.57 0.13 -1.93 -1.58 132.00 137.03 1ucy h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ucy h PRO 92 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ucy h PRO 92 CO 0.92 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.23 1ucy n ARG 93 N -3.67 4.10 -1.82 0.86 1.74 -1.26 -4.99 116.66 111.62 1ucy n ARG 93 Ca 0.01 -3.03 -0.42 0.00 -0.77 0.00 0.00 57.85 53.65 1ucy n ARG 93 Cb 0.32 -2.09 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 1ucy n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ucy s TYR 94 N -2.73 2.68 -0.47 -1.55 5.04 -0.60 -4.67 117.35 115.05 1ucy s TYR 94 Ca 0.50 0.33 0.01 0.00 -2.44 0.00 0.00 57.07 55.47 1ucy s TYR 94 Cb 0.38 -4.06 0.12 0.00 0.35 0.00 0.00 41.96 38.76 1ucy s TYR 94 CO 0.14 -4.13 0.23 1.21 -1.34 0.00 0.00 175.55 171.65 1ucy s ASN 95 N 1.76 4.79 0.16 4.32 3.84 -0.38 -4.95 114.94 124.48 1ucy s ASN 95 Ca 0.75 -2.58 0.10 0.00 0.21 0.00 0.00 52.86 51.34 1ucy s ASN 95 Cb -0.45 -1.71 -0.12 0.00 -0.55 0.00 0.00 41.25 38.41 1ucy s ASN 95 CO 0.33 -0.35 1.29 4.11 -2.79 0.00 0.00 177.10 179.69 1ucy h TRP 96 N 7.18 0.00 0.07 0.43 5.08 -1.93 0.61 115.95 127.39 1ucy h TRP 96 Ca -0.06 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.90 1ucy h TRP 96 Cb 0.97 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.13 1ucy h TRP 96 CO 0.55 0.83 -0.03 0.87 -1.28 0.00 0.00 178.44 179.37 1ucy h LYS 97 N 0.00 -0.09 0.05 0.12 1.57 -2.00 -3.40 116.57 112.83 1ucy h LYS 97 Ca -0.02 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ucy h LYS 97 Cb 1.65 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.98 1ucy h LYS 97 CO 0.10 -0.06 -0.02 1.49 -0.57 0.00 0.00 179.45 180.39 1ucy h GLU 97 N -0.12 -0.06 0.00 3.15 4.81 -2.01 -3.44 114.58 116.90 1ucy h GLU 97 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ucy h GLU 97 Cb 0.07 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ucy h GLU 97 CO 0.02 0.41 0.00 0.27 -0.73 0.00 0.00 179.01 178.97 1ucy n ASN 98 N -4.89 0.00 -2.81 1.04 6.94 -1.25 -5.02 115.26 109.27 1ucy n ASN 98 Ca -0.08 -1.00 -0.16 0.00 -0.02 0.00 0.00 54.58 53.32 1ucy n ASN 98 Cb 0.25 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.74 1ucy n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ucy n LEU 99 N 0.00 -3.26 -4.80 -4.53 4.77 0.21 -5.00 117.00 104.40 1ucy n LEU 99 Ca 0.00 -0.43 -0.36 0.00 -0.03 0.00 0.00 56.01 55.20 1ucy n LEU 99 Cb 0.30 -2.42 -0.06 0.00 -2.33 0.00 0.00 43.42 38.91 1ucy n LEU 99 CO 0.00 0.40 0.58 -0.62 -1.33 0.00 0.00 177.39 176.42 1ucy s ASP 100 N -3.58 7.15 -1.34 -1.43 2.15 -1.09 -4.02 116.67 114.52 1ucy s ASP 100 Ca 0.25 1.67 -0.07 0.00 0.43 0.00 0.00 52.55 54.83 1ucy s ASP 100 Cb -0.11 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 40.01 1ucy s ASP 100 CO 0.54 -0.12 1.10 0.54 -0.17 0.00 0.00 175.17 177.07 1ucy n ARG 101 N 0.27 -7.31 -1.83 4.34 1.74 -1.26 -1.26 116.66 111.35 1ucy n ARG 101 Ca 0.02 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.48 1ucy n ARG 101 Cb 0.51 -5.82 -0.00 0.00 -1.02 0.00 0.00 32.46 26.13 1ucy n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ucy n ASP 102 N -3.03 3.95 -3.81 0.55 2.03 -1.26 -4.33 116.55 110.65 1ucy n ASP 102 Ca -0.07 -2.84 -0.13 0.00 0.52 0.00 0.00 54.79 52.27 1ucy n ASP 102 Cb 0.59 -1.64 -0.13 0.00 -0.72 0.00 0.00 41.12 39.22 1ucy n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ucy s ILE 103 N 3.57 -0.01 -0.02 5.18 2.07 -1.26 -3.85 121.20 126.88 1ucy s ILE 103 Ca 0.49 0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.65 1ucy s ILE 103 Cb 0.12 -0.20 0.02 0.00 0.13 0.00 0.00 42.46 42.53 1ucy s ILE 103 CO -0.05 0.02 0.25 0.00 -1.91 0.00 0.00 174.94 173.25 1ucy s ALA 104 N 0.29 -0.62 -0.09 1.50 0.00 -0.21 -2.28 121.76 120.36 1ucy s ALA 104 Ca -0.02 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1ucy s ALA 104 Cb -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1ucy s ALA 104 CO -0.01 -0.23 -0.19 -0.51 0.00 0.00 0.00 175.76 174.82 1ucy s LEU 105 N -1.19 2.40 -0.23 0.00 1.43 0.07 -1.23 118.68 119.94 1ucy s LEU 105 Ca -0.13 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1ucy s LEU 105 Cb -0.06 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 1ucy s LEU 105 CO 0.03 0.21 -0.01 -0.76 0.23 0.00 0.00 176.35 176.06 1ucy s LEU 106 N 0.03 3.09 -0.25 1.79 1.02 0.14 -1.27 118.68 123.24 1ucy s LEU 106 Ca -0.07 -0.32 -0.17 0.00 0.02 0.00 0.00 54.13 53.59 1ucy s LEU 106 Cb -0.15 -1.80 -0.03 0.00 0.02 0.00 0.00 46.19 44.23 1ucy s LEU 106 CO 0.05 -0.01 0.46 -0.75 0.02 0.00 0.00 176.35 176.12 1ucy s LYS 107 N 1.46 4.09 0.41 1.70 2.47 -0.86 -0.54 119.74 128.46 1ucy s LYS 107 Ca 0.05 0.24 -0.23 0.00 -1.56 0.00 0.00 55.97 54.47 1ucy s LYS 107 Cb -0.15 -3.62 -0.10 0.00 -1.46 0.00 0.00 37.83 32.51 1ucy s LYS 107 CO -0.01 -0.25 1.00 -0.51 0.16 0.00 0.00 175.35 175.74 1ucy s LEU 108 N 2.00 4.08 0.27 5.43 1.43 0.04 0.67 118.68 132.60 1ucy s LEU 108 Ca 0.20 1.90 -0.06 0.00 -1.03 0.00 0.00 54.13 55.13 1ucy s LEU 108 Cb -0.15 -4.30 0.50 0.00 0.03 0.00 0.00 46.19 42.27 1ucy s LEU 108 CO 0.09 -0.42 1.58 0.11 0.23 0.00 0.00 176.35 177.94 1ucy h LYS 109 N 2.34 0.01 -2.95 1.70 1.57 -1.23 -3.39 116.57 114.62 1ucy h LYS 109 Ca -0.48 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 1ucy h LYS 109 Cb 1.20 -0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.34 1ucy h LYS 109 CO 0.62 0.01 -0.10 -0.98 -0.57 0.00 0.00 179.45 178.43 1ucy s ARG 110 N -6.18 0.91 0.19 3.15 1.70 -1.26 -4.87 118.95 112.59 1ucy s ARG 110 Ca -0.14 -0.30 -0.33 0.00 -0.47 0.00 0.00 55.73 54.49 1ucy s ARG 110 Cb 0.26 0.41 -0.15 0.00 -0.57 0.00 0.00 34.95 34.90 1ucy s ARG 110 CO 0.77 -0.31 1.35 -0.35 -1.08 0.00 0.00 175.30 175.69 1ucy n PRO 111 N 0.61 1.68 -1.63 3.89 -0.04 -1.26 -4.90 135.00 133.35 1ucy n PRO 111 Ca -0.19 0.60 -0.30 0.00 -0.04 0.00 0.00 63.50 63.58 1ucy n PRO 111 Cb 0.59 -2.23 0.09 0.00 -0.04 0.00 0.00 33.50 31.92 1ucy n PRO 111 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1ucy s ILE 112 N 0.13 2.84 -0.35 0.52 1.10 0.14 -4.99 121.20 120.59 1ucy s ILE 112 Ca 0.73 0.27 -0.08 0.00 -0.51 0.00 0.00 60.65 61.07 1ucy s ILE 112 Cb -0.75 -3.08 0.03 0.00 0.15 0.00 0.00 42.46 38.81 1ucy s ILE 112 CO 0.48 -0.36 0.13 -0.70 -2.11 0.00 0.00 174.94 172.39 1ucy s GLU 113 N -5.25 2.70 0.95 3.50 2.12 -1.26 -4.85 118.70 116.60 1ucy s GLU 113 Ca 0.61 -1.14 -0.12 0.00 0.36 0.00 0.00 54.97 54.69 1ucy s GLU 113 Cb -0.14 -3.53 0.11 0.00 0.26 0.00 0.00 34.13 30.83 1ucy s GLU 113 CO 0.53 -0.66 0.79 1.28 -0.54 0.00 0.00 175.26 176.66 1ucy n LEU 114 N 4.86 1.43 0.00 2.70 4.32 -1.26 -4.87 117.00 124.18 1ucy n LEU 114 Ca -0.12 0.34 0.00 0.00 -0.02 0.00 0.00 56.01 56.21 1ucy n LEU 114 Cb 0.45 -1.34 0.00 0.00 -1.62 0.00 0.00 43.42 40.91 1ucy n LEU 114 CO 0.33 -2.87 0.00 -1.54 -1.22 0.00 0.00 177.39 172.08 1ucy n SER 115 N -2.95 0.00 0.28 -1.43 3.41 -0.23 -4.87 113.62 107.83 1ucy n SER 115 Ca 0.09 -0.73 0.17 0.00 -0.26 0.00 0.00 58.87 58.14 1ucy n SER 115 Cb 0.53 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.26 1ucy n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ucy h ASP 116 N 0.00 0.00 -0.01 4.04 3.32 -2.00 -2.89 116.42 118.88 1ucy h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ucy h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ucy h ASP 116 CO 0.00 0.05 -0.33 -1.22 -1.72 0.00 0.00 179.24 176.02 1ucy n TYR 117 N -3.24 0.00 -3.69 4.55 4.01 -1.26 -4.84 117.16 112.69 1ucy n TYR 117 Ca -0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1ucy n TYR 117 Cb 0.26 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.14 1ucy n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ucy s ILE 118 N -1.72 0.66 -0.05 -0.72 1.01 -1.09 -4.20 121.20 115.09 1ucy s ILE 118 Ca 0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 60.65 59.43 1ucy s ILE 118 Cb 0.10 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1ucy s ILE 118 CO 0.36 -0.70 0.13 -2.28 0.00 0.00 0.00 174.94 172.45 1ucy s HIS 119 N 1.70 -0.14 0.44 3.97 2.46 -0.90 -1.07 115.29 121.75 1ucy s HIS 119 Ca 0.10 0.39 -0.23 0.00 0.47 0.00 0.00 55.06 55.79 1ucy s HIS 119 Cb -0.17 -0.01 -0.08 0.00 -0.13 0.00 0.00 32.58 32.18 1ucy s HIS 119 CO -0.27 -0.11 1.06 -1.25 -2.47 0.00 0.00 174.74 171.70 1ucy s PRO 120 N 0.54 3.97 0.41 2.88 0.04 -1.26 -2.45 135.00 139.14 1ucy s PRO 120 Ca -0.04 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 1ucy s PRO 120 Cb -0.05 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 1ucy s PRO 120 CO -0.02 -0.31 0.68 0.54 0.04 0.00 0.00 177.00 177.92 1ucy s VAL 121 N -1.75 4.99 0.27 -0.36 0.11 -0.91 -4.94 120.40 117.81 1ucy s VAL 121 Ca 0.62 -0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 59.51 1ucy s VAL 121 Cb -0.21 -3.85 -0.07 0.00 -1.53 0.00 0.00 36.38 30.71 1ucy s VAL 121 CO 0.26 -0.69 0.60 0.00 -3.33 0.00 0.00 175.10 171.93 1ucy s LEU 123 N -3.03 4.41 1.12 0.00 1.43 -1.26 -5.07 118.68 116.27 1ucy s LEU 123 Ca 0.48 0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 54.13 1ucy s LEU 123 Cb -0.11 -2.33 0.24 0.00 0.03 0.00 0.00 46.19 44.02 1ucy s LEU 123 CO 0.23 0.34 0.89 -0.81 0.23 0.00 0.00 176.35 177.22 1ucy n PRO 124 N 2.11 -1.99 -4.10 1.29 -0.04 -1.26 -5.05 135.00 125.97 1ucy n PRO 124 Ca -0.16 -0.55 -0.09 0.00 -0.04 0.00 0.00 63.50 62.66 1ucy n PRO 124 Cb 0.53 -2.13 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 1ucy n PRO 124 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1ucy s ASP 125 N -2.35 0.69 0.16 3.54 -4.77 -1.26 -5.05 116.67 107.63 1ucy s ASP 125 Ca 0.66 -0.91 -0.13 0.00 -3.30 0.00 0.00 52.55 48.88 1ucy s ASP 125 Cb -0.23 0.14 0.16 0.00 -1.09 0.00 0.00 42.92 41.90 1ucy s ASP 125 CO 0.64 -0.49 1.07 1.17 0.70 0.00 0.00 175.17 178.26 1ucy n LYS 126 N 0.34 -0.17 -0.07 2.11 0.00 -1.26 -1.53 118.16 117.59 1ucy n LYS 126 Ca -0.15 1.06 -0.10 0.00 0.00 0.00 0.00 58.31 59.12 1ucy n LYS 126 Cb 0.60 -1.58 -0.03 0.00 0.00 0.00 0.00 35.03 34.01 1ucy n LYS 126 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1ucy h GLN 127 N 0.00 0.33 -1.18 1.64 1.08 -2.03 -0.94 115.11 114.01 1ucy h GLN 127 Ca 0.23 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 1ucy h GLN 127 Cb 0.41 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 1ucy h GLN 127 CO -0.69 0.34 0.00 2.41 -0.95 0.00 0.00 178.83 179.94 1ucy n THR 128 N -4.84 0.18 0.00 -0.54 -1.04 -0.59 -1.46 114.28 105.99 1ucy n THR 128 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1ucy n THR 128 Cb 0.09 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 1ucy n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ucy n ALA 129 N 0.67 0.00 0.06 2.41 0.00 -0.36 -0.88 120.51 122.41 1ucy n ALA 129 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1ucy n ALA 129 Cb 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.42 1ucy n ALA 129 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1ucy h LYS 129 N 0.00 0.28 0.00 0.00 1.79 -1.52 -3.40 116.57 113.73 1ucy h LYS 129 Ca 0.00 -0.48 -0.30 0.00 -2.18 0.00 0.00 60.65 57.69 1ucy h LYS 129 Cb 0.00 0.18 -0.05 0.00 -1.58 0.00 0.00 32.23 30.78 1ucy h LYS 129 CO 0.00 1.15 -1.80 1.28 -1.08 0.00 0.00 179.45 179.00 1ucy n LEU 129 N -3.48 0.81 -4.52 2.94 4.32 -0.06 -4.72 117.00 112.29 1ucy n LEU 129 Ca -0.19 0.36 -0.43 0.00 -0.02 0.00 0.00 56.01 55.73 1ucy n LEU 129 Cb 1.05 0.18 -0.01 0.00 -1.62 0.00 0.00 43.42 43.02 1ucy n LEU 129 CO 0.50 0.41 1.54 -0.76 -1.22 0.00 0.00 177.39 177.87 1ucy s LEU 130 N -6.04 4.37 -0.01 2.23 1.43 -1.26 -4.87 118.68 114.53 1ucy s LEU 130 Ca -0.06 -2.39 0.01 0.00 -1.03 0.00 0.00 54.13 50.67 1ucy s LEU 130 Cb 0.08 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.81 1ucy s LEU 130 CO 0.82 -1.07 -0.04 -1.00 0.23 0.00 0.00 176.35 175.29 1ucy s HIS 131 N 3.25 0.46 0.30 0.29 3.76 -1.26 -4.93 115.29 117.14 1ucy s HIS 131 Ca 0.45 -0.08 -0.29 0.00 -0.15 0.00 0.00 55.06 54.99 1ucy s HIS 131 Cb -0.00 -0.35 -0.13 0.00 1.11 0.00 0.00 32.58 33.20 1ucy s HIS 131 CO -0.01 -0.05 1.24 0.00 -0.85 0.00 0.00 174.74 175.07 1ucy n ALA 132 N 3.31 0.78 0.00 -1.40 0.00 -1.26 -1.11 120.51 120.83 1ucy n ALA 132 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ucy n ALA 132 Cb 0.56 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1ucy n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ucy n GLY 133 N 1.28 2.95 3.73 0.00 0.00 -1.26 -5.04 105.19 106.86 1ucy n GLY 133 Ca 0.08 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1ucy n GLY 133 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ucy s PHE 134 N -1.28 3.36 0.21 1.61 0.08 -0.27 -5.03 117.98 116.67 1ucy s PHE 134 Ca 0.00 1.33 -0.15 0.00 0.12 0.00 0.00 56.93 58.23 1ucy s PHE 134 Cb 0.00 -3.50 -0.08 0.00 -0.57 0.00 0.00 43.02 38.88 1ucy s PHE 134 CO 0.00 -1.47 0.62 0.15 -0.10 0.00 0.00 175.22 174.42 1ucy s LYS 135 N -0.06 4.01 0.46 0.44 1.02 -1.26 -4.89 119.74 119.46 1ucy s LYS 135 Ca 0.55 0.57 0.02 0.00 0.02 0.00 0.00 55.97 57.12 1ucy s LYS 135 Cb -0.34 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1ucy s LYS 135 CO 0.36 0.37 0.06 0.41 -0.92 0.00 0.00 175.35 175.64 1ucy n GLY 136 N 0.41 3.45 3.00 -3.33 0.00 -1.26 -5.16 105.19 102.30 1ucy n GLY 136 Ca -0.02 -2.27 -0.23 0.00 0.00 0.00 0.00 46.02 43.50 1ucy n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ucy s ARG 137 N -3.69 1.50 -0.01 1.61 3.52 -1.26 -5.14 118.95 115.48 1ucy s ARG 137 Ca 0.08 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.37 1ucy s ARG 137 Cb 0.00 -1.27 -0.03 0.00 -1.56 0.00 0.00 34.95 32.09 1ucy s ARG 137 CO 0.06 0.03 -0.14 0.08 -0.81 0.00 0.00 175.30 174.52 1ucy s VAL 138 N 0.64 3.12 0.02 7.11 1.01 -1.26 -5.13 120.40 125.90 1ucy s VAL 138 Ca -0.13 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1ucy s VAL 138 Cb -0.15 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 1ucy s VAL 138 CO 0.03 0.48 -0.02 0.42 0.00 0.00 0.00 175.10 176.00 1ucy s THR 139 N -0.85 0.09 0.00 3.92 -4.23 -1.26 -5.09 115.64 108.23 1ucy s THR 139 Ca 0.14 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 1ucy s THR 139 Cb -0.11 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.51 1ucy s THR 139 CO 0.03 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1ucy n GLY 140 N 1.83 0.87 1.51 3.99 0.00 -1.26 -4.98 105.19 107.15 1ucy n GLY 140 Ca -0.22 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 44.92 1ucy n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ucy n TRP 141 N -0.30 1.72 -1.06 1.61 8.01 -1.26 -4.66 117.44 121.49 1ucy n TRP 141 Ca 0.00 -1.03 -0.30 0.00 -1.31 0.00 0.00 57.50 54.86 1ucy n TRP 141 Cb 0.00 -0.50 0.23 0.00 -2.01 0.00 0.00 31.31 29.02 1ucy n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1ucy s GLY 142 N -1.45 1.57 0.60 6.99 0.00 -1.26 -4.87 107.32 108.89 1ucy s GLY 142 Ca 0.50 -0.78 -0.18 0.00 0.00 0.00 0.00 44.72 44.25 1ucy s GLY 142 CO 0.11 0.04 1.20 -1.31 0.00 0.00 0.00 173.10 173.13 1ucy s ASN 143 N -3.72 5.15 0.26 1.64 0.01 -1.26 -2.50 114.94 114.52 1ucy s ASN 143 Ca 0.69 2.35 0.20 0.00 -0.71 0.00 0.00 52.86 55.40 1ucy s ASN 143 Cb -0.12 -2.59 0.09 0.00 0.41 0.00 0.00 41.25 39.03 1ucy s ASN 143 CO 0.57 -1.62 1.24 0.03 -1.51 0.00 0.00 177.10 175.81 1ucy h ARG 144 N 0.78 0.00 -4.22 -0.60 3.08 -1.95 0.48 114.38 111.95 1ucy h ARG 144 Ca -0.50 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.39 1ucy h ARG 144 Cb 1.29 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.20 1ucy h ARG 144 CO 0.55 0.13 -0.50 -0.98 -1.07 0.00 0.00 179.97 178.09 1ucy s ARG 145 N -3.18 1.08 0.44 0.04 1.70 -1.26 -4.18 118.95 113.59 1ucy s ARG 145 Ca 0.02 -1.37 -0.25 0.00 -0.47 0.00 0.00 55.73 53.66 1ucy s ARG 145 Cb 0.08 0.31 -0.08 0.00 -0.57 0.00 0.00 34.95 34.68 1ucy s ARG 145 CO 0.75 -0.36 1.34 -1.21 -1.08 0.00 0.00 175.30 174.74 1ucy s GLU 146 N -4.04 3.77 -0.09 3.89 2.02 -1.26 -4.96 118.70 118.03 1ucy s GLU 146 Ca 0.24 2.23 -0.21 0.00 0.02 0.00 0.00 54.97 57.25 1ucy s GLU 146 Cb 0.05 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 1ucy s GLU 146 CO 0.03 -0.68 0.59 0.99 0.02 0.00 0.00 175.26 176.21 1ucy s THR 147 N -1.26 5.11 0.00 3.63 2.01 -1.26 -5.09 115.64 118.78 1ucy s THR 147 Ca 0.60 1.20 0.00 0.00 0.31 0.00 0.00 61.69 63.81 1ucy s THR 147 Cb -0.40 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.18 1ucy s THR 147 CO 0.50 0.28 0.89 1.87 -0.69 0.00 0.00 174.62 177.48 1ucy n TRP 148 N 3.76 0.00 1.06 4.92 -0.00 -1.26 -5.31 117.44 120.61 1ucy n TRP 148 Ca -0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.58 1ucy n TRP 148 Cb 0.51 0.01 0.15 0.00 -0.00 0.00 0.00 31.31 31.99 1ucy n TRP 148 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 177.69 175.32