#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uc3 s ILE 2 N 0.00 2.99 0.32 4.25 1.01 -1.26 -4.98 121.20 123.53 1uc3 s ILE 2 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 60.65 61.12 1uc3 s ILE 2 Cb 0.00 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1uc3 s ILE 2 CO 0.00 -0.01 0.08 0.68 0.00 0.00 0.00 174.94 175.69 1uc3 s VAL 3 N 2.94 3.02 -0.04 2.92 -7.23 -1.26 -4.99 120.40 115.74 1uc3 s VAL 3 Ca 0.76 -1.81 0.06 0.00 -1.81 0.00 0.00 61.98 59.18 1uc3 s VAL 3 Cb -0.41 -2.90 0.10 0.00 0.56 0.00 0.00 36.38 33.73 1uc3 s VAL 3 CO 0.34 -0.23 1.05 -0.90 -0.31 0.00 0.00 175.10 175.05 1uc3 n ASP 4 N -1.04 0.80 -3.72 4.85 5.75 -1.26 -4.23 116.55 117.70 1uc3 n ASP 4 Ca -0.04 -2.37 -0.11 0.00 -0.01 0.00 0.00 54.79 52.27 1uc3 n ASP 4 Cb 0.61 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 40.36 1uc3 n ASP 4 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1uc3 s SER 5 N -1.63 -0.13 0.72 -1.12 1.04 -1.26 -4.20 113.70 107.12 1uc3 s SER 5 Ca 0.11 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1uc3 s SER 5 Cb 0.10 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1uc3 s SER 5 CO 0.01 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.10 1uc3 n GLY 6 N 0.11 0.87 3.47 7.32 0.00 -1.26 -4.94 105.19 110.76 1uc3 n GLY 6 Ca -0.17 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 1uc3 n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uc3 s SER 7 N -4.00 -0.52 0.09 1.61 0.15 -1.26 -5.06 113.70 104.71 1uc3 s SER 7 Ca 0.00 0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.86 1uc3 s SER 7 Cb 0.00 0.51 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1uc3 s SER 7 CO 0.00 -0.77 -0.14 0.68 1.20 0.00 0.00 173.24 174.21 1uc3 s VAL 8 N -2.95 1.21 0.64 4.45 -7.23 -1.26 -5.12 120.40 110.14 1uc3 s VAL 8 Ca -0.00 -1.49 -0.18 0.00 -1.81 0.00 0.00 61.98 58.50 1uc3 s VAL 8 Cb -0.01 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 1uc3 s VAL 8 CO -0.07 -0.31 1.26 0.00 -0.31 0.00 0.00 175.10 175.67 1uc3 s ALA 9 N -1.66 2.40 0.50 1.32 0.00 -1.26 -4.93 121.76 118.14 1uc3 s ALA 9 Ca 0.03 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.89 1uc3 s ALA 9 Cb -0.08 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1uc3 s ALA 9 CO 0.02 -1.50 1.11 -2.30 0.00 0.00 0.00 175.76 173.09 1uc3 n PRO 10 N -1.89 1.39 -2.08 0.00 -0.02 -1.26 -4.91 135.00 126.23 1uc3 n PRO 10 Ca 0.15 0.51 -0.40 0.00 -2.02 0.00 0.00 63.50 61.74 1uc3 n PRO 10 Cb 0.49 -2.25 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 1uc3 n PRO 10 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1uc3 s LEU 11 N -1.77 4.35 0.57 2.45 1.43 -1.26 -5.01 118.68 119.44 1uc3 s LEU 11 Ca 0.68 2.70 -0.01 0.00 -1.03 0.00 0.00 54.13 56.47 1uc3 s LEU 11 Cb -0.47 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.04 1uc3 s LEU 11 CO 0.53 -0.66 0.82 -0.94 0.23 0.00 0.00 176.35 176.33 1uc3 s SER 12 N -0.55 5.32 0.15 2.29 1.04 -1.26 -4.93 113.70 115.76 1uc3 s SER 12 Ca 0.52 0.23 -0.16 0.00 0.48 0.00 0.00 55.95 57.01 1uc3 s SER 12 Cb -0.40 -1.14 0.01 0.00 0.10 0.00 0.00 66.02 64.59 1uc3 s SER 12 CO 0.52 -1.14 1.77 0.00 0.98 0.00 0.00 173.24 175.37 1uc3 h ALA 13 N -0.03 0.52 -0.62 5.32 0.00 -1.99 -0.40 119.26 122.06 1uc3 h ALA 13 Ca -0.44 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1uc3 h ALA 13 Cb 1.29 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1uc3 h ALA 13 CO 0.56 0.02 0.40 0.00 0.00 0.00 0.00 179.25 180.23 1uc3 h ALA 14 N 1.10 0.79 0.00 0.00 0.00 -2.00 -0.66 119.26 118.50 1uc3 h ALA 14 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1uc3 h ALA 14 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1uc3 h ALA 14 CO -0.03 0.17 -0.30 0.93 0.00 0.00 0.00 179.25 180.02 1uc3 h GLU 15 N 0.80 0.00 -0.12 0.00 5.08 -1.86 -1.99 114.58 116.49 1uc3 h GLU 15 Ca 0.24 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 1uc3 h GLU 15 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1uc3 h GLU 15 CO -0.07 0.30 -0.75 0.87 -1.00 0.00 0.00 179.01 178.36 1uc3 h LYS 16 N 0.00 0.61 -0.31 2.33 1.57 0.07 -2.34 116.57 118.49 1uc3 h LYS 16 Ca -0.00 -0.49 -0.12 0.00 -1.87 0.00 0.00 60.65 58.17 1uc3 h LYS 16 Cb 0.62 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1uc3 h LYS 16 CO 0.04 1.11 -0.27 1.15 -0.57 0.00 0.00 179.45 180.91 1uc3 h THR 17 N 0.42 1.30 -0.62 -0.16 2.02 -0.91 -1.43 112.91 113.53 1uc3 h THR 17 Ca -0.04 -1.43 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 1uc3 h THR 17 Cb 1.35 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 69.26 1uc3 h THR 17 CO 0.14 0.46 0.33 0.50 0.37 0.00 0.00 175.52 177.32 1uc3 h LYS 18 N 0.48 0.87 -0.17 6.66 3.11 -1.40 -2.30 116.57 123.82 1uc3 h LYS 18 Ca 0.05 -0.11 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 1uc3 h LYS 18 Cb 0.84 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.89 1uc3 h LYS 18 CO 0.07 0.67 0.05 0.82 -2.81 0.00 0.00 179.45 178.25 1uc3 h ILE 19 N 0.84 1.18 -0.67 2.00 2.04 -1.36 -2.01 117.51 119.53 1uc3 h ILE 19 Ca 0.22 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.57 1uc3 h ILE 19 Cb 0.06 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.32 1uc3 h ILE 19 CO -0.03 0.18 0.35 0.03 0.00 0.00 0.00 178.15 178.68 1uc3 h ARG 20 N 0.10 0.61 0.00 2.37 3.08 -1.01 0.64 114.38 120.18 1uc3 h ARG 20 Ca 0.06 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 1uc3 h ARG 20 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1uc3 h ARG 20 CO -0.00 0.41 -0.87 0.66 -1.07 0.00 0.00 179.97 179.09 1uc3 h SER 21 N 0.63 0.26 0.38 7.04 4.64 -1.39 -2.12 113.55 123.00 1uc3 h SER 21 Ca 0.31 -0.21 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 1uc3 h SER 21 Cb 0.25 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1uc3 h SER 21 CO -0.22 1.01 -0.76 0.00 -0.87 0.00 0.00 176.83 176.00 1uc3 h ALA 22 N 0.97 0.62 0.00 5.18 0.00 -1.11 -3.27 119.26 121.66 1uc3 h ALA 22 Ca -0.04 -0.63 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 1uc3 h ALA 22 Cb 1.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1uc3 h ALA 22 CO 0.13 0.80 -0.88 2.35 0.00 0.00 0.00 179.25 181.65 1uc3 h TRP 23 N 0.20 0.36 -0.59 0.00 2.91 -0.85 -3.38 115.95 114.60 1uc3 h TRP 23 Ca -0.03 -0.20 0.08 0.00 1.13 0.00 0.00 58.89 59.87 1uc3 h TRP 23 Cb 1.33 -0.04 -0.10 0.00 -0.51 0.00 0.00 29.16 29.84 1uc3 h TRP 23 CO 0.04 1.01 -0.49 0.00 -1.03 0.00 0.00 178.44 177.96 1uc3 h ALA 24 N 0.93 -0.47 -0.36 2.65 0.00 -1.43 -1.22 119.26 119.36 1uc3 h ALA 24 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1uc3 h ALA 24 Cb 1.51 1.06 -0.02 0.00 0.00 0.00 0.00 17.79 20.34 1uc3 h ALA 24 CO 0.14 -0.90 0.23 -1.35 0.00 0.00 0.00 179.25 177.36 1uc3 h PRO 25 N -0.24 0.48 -0.61 0.00 0.11 -1.76 -1.41 132.00 128.58 1uc3 h PRO 25 Ca 0.15 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.28 1uc3 h PRO 25 Cb 0.56 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.51 1uc3 h PRO 25 CO -0.70 0.34 0.33 0.28 -0.21 0.00 0.00 178.00 178.04 1uc3 h VAL 26 N 0.48 0.97 0.03 3.15 2.07 -1.63 -3.16 116.25 118.16 1uc3 h VAL 26 Ca 0.13 -0.21 -0.26 0.00 0.82 0.00 0.00 66.70 67.17 1uc3 h VAL 26 Cb -0.03 0.29 0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1uc3 h VAL 26 CO -0.03 0.11 -1.06 0.22 0.02 0.00 0.00 177.57 176.83 1uc3 h TYR 27 N 0.63 0.89 -0.16 1.57 5.03 -1.04 -2.82 116.97 121.06 1uc3 h TYR 27 Ca 0.27 -0.50 0.05 0.00 2.58 0.00 0.00 58.73 61.12 1uc3 h TYR 27 Cb 0.16 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1uc3 h TYR 27 CO -0.09 1.34 0.23 0.66 -1.32 0.00 0.00 178.16 178.99 1uc3 h SER 28 N 0.31 0.00 -0.55 -2.11 4.64 -1.23 0.51 113.55 115.12 1uc3 h SER 28 Ca -0.13 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.81 1uc3 h SER 28 Cb 1.72 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.54 1uc3 h SER 28 CO 0.20 0.00 -0.48 -3.20 -0.87 0.00 0.00 176.83 172.48 1uc3 n ASN 29 N -3.58 4.10 -0.05 4.97 4.05 -1.20 -4.86 115.26 118.69 1uc3 n ASN 29 Ca 0.01 -3.80 0.06 0.00 0.45 0.00 0.00 54.58 51.31 1uc3 n ASN 29 Cb 0.34 -0.49 0.43 0.00 1.23 0.00 0.00 39.78 41.30 1uc3 n ASN 29 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1uc3 h TYR 30 N 1.72 0.53 -0.93 1.20 -0.00 0.29 -0.60 116.97 119.19 1uc3 h TYR 30 Ca 0.29 0.01 0.13 0.00 0.00 0.00 0.00 58.73 59.16 1uc3 h TYR 30 Cb 1.37 -0.18 -0.09 0.00 0.00 0.00 0.00 36.73 37.84 1uc3 h TYR 30 CO 0.92 0.31 0.55 0.93 -0.00 0.00 0.00 178.16 180.87 1uc3 h GLU 31 N 0.55 0.82 0.13 0.10 3.07 -1.89 0.58 114.58 117.94 1uc3 h GLU 31 Ca 0.21 -0.05 -0.24 0.00 -0.50 0.00 0.00 59.36 58.78 1uc3 h GLU 31 Cb 0.14 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1uc3 h GLU 31 CO -0.05 0.54 -1.14 1.15 -1.40 0.00 0.00 179.01 178.11 1uc3 h THR 32 N 0.84 1.26 -0.11 1.13 2.02 -1.80 -3.18 112.91 113.06 1uc3 h THR 32 Ca 0.47 -2.47 0.02 0.00 0.77 0.00 0.00 66.41 65.21 1uc3 h THR 32 Cb 0.53 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 1uc3 h THR 32 CO -0.29 0.71 -0.04 0.28 0.37 0.00 0.00 175.52 176.54 1uc3 h SER 33 N -0.33 -0.14 -0.52 4.18 0.02 -0.76 -1.45 113.55 114.55 1uc3 h SER 33 Ca -0.23 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1uc3 h SER 33 Cb 1.71 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 64.30 1uc3 h SER 33 CO 0.10 -0.06 0.28 1.23 -1.14 0.00 0.00 176.83 177.25 1uc3 h GLY 34 N -0.02 0.73 0.89 -3.77 0.00 0.01 -1.48 103.07 99.43 1uc3 h GLY 34 Ca 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1uc3 h GLY 34 CO -0.13 0.15 0.06 -2.08 0.00 0.00 0.00 176.54 174.54 1uc3 h VAL 35 N 0.56 1.22 -0.10 4.60 2.07 -1.48 -1.16 116.25 121.96 1uc3 h VAL 35 Ca 0.22 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1uc3 h VAL 35 Cb 0.09 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1uc3 h VAL 35 CO -0.13 0.25 -0.03 0.44 0.02 0.00 0.00 177.57 178.11 1uc3 h ASP 36 N 0.30 -0.12 0.00 0.57 3.32 -1.07 -0.60 116.42 118.82 1uc3 h ASP 36 Ca 0.09 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1uc3 h ASP 36 Cb 0.31 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1uc3 h ASP 36 CO 0.00 -0.05 -0.18 0.40 -1.72 0.00 0.00 179.24 177.70 1uc3 h ILE 37 N -0.01 0.57 -0.01 0.35 2.04 -1.18 0.27 117.51 119.54 1uc3 h ILE 37 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1uc3 h ILE 37 Cb 0.09 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1uc3 h ILE 37 CO -0.11 0.00 -0.04 0.25 0.00 0.00 0.00 178.15 178.25 1uc3 h LEU 38 N -0.30 -0.10 -0.42 1.44 5.85 -1.00 0.17 115.31 120.94 1uc3 h LEU 38 Ca 0.05 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1uc3 h LEU 38 Cb 0.37 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1uc3 h LEU 38 CO -0.17 -0.05 0.22 0.58 -0.34 0.00 0.00 178.44 178.68 1uc3 h VAL 39 N -0.06 0.99 -0.18 1.05 2.07 -0.96 0.60 116.25 119.76 1uc3 h VAL 39 Ca 0.02 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1uc3 h VAL 39 Cb 0.09 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1uc3 h VAL 39 CO -0.04 0.08 -0.07 0.50 0.02 0.00 0.00 177.57 178.05 1uc3 h LYS 40 N 0.44 -0.05 -0.42 1.57 3.64 -0.17 0.80 116.57 122.39 1uc3 h LYS 40 Ca 0.18 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1uc3 h LYS 40 Cb 0.07 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1uc3 h LYS 40 CO -0.11 -0.03 0.21 0.35 -2.27 0.00 0.00 179.45 177.60 1uc3 h PHE 41 N -0.05 0.59 0.86 1.91 3.57 -0.38 -1.90 116.94 121.54 1uc3 h PHE 41 Ca 0.09 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1uc3 h PHE 41 Cb 0.19 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 38.75 1uc3 h PHE 41 CO -0.23 0.47 -0.44 0.35 -2.23 0.00 0.00 178.31 176.24 1uc3 h PHE 42 N 0.54 -1.14 -0.57 0.41 3.57 0.77 -1.40 116.94 119.11 1uc3 h PHE 42 Ca 0.14 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1uc3 h PHE 42 Cb 0.09 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1uc3 h PHE 42 CO -0.02 -0.69 0.28 1.79 -2.23 0.00 0.00 178.31 177.45 1uc3 h THR 43 N -1.19 1.19 0.00 4.41 1.35 -0.91 -2.75 112.91 115.02 1uc3 h THR 43 Ca -0.12 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1uc3 h THR 43 Cb 0.92 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1uc3 h THR 43 CO 0.17 0.21 0.00 0.77 -0.25 0.00 0.00 175.52 176.43 1uc3 h SER 44 N 0.80 0.00 -2.87 5.36 4.64 -1.28 -3.37 113.55 116.83 1uc3 h SER 44 Ca 0.20 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.91 1uc3 h SER 44 Cb 0.07 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 61.74 1uc3 h SER 44 CO -0.03 0.00 -0.59 0.41 -0.87 0.00 0.00 176.83 175.75 1uc3 n THR 45 N -2.61 1.69 -0.32 2.95 -1.04 -0.54 -4.95 114.28 109.47 1uc3 n THR 45 Ca 0.04 -4.90 0.11 0.00 -2.04 0.00 0.00 64.05 57.27 1uc3 n THR 45 Cb 0.43 -2.15 0.29 0.00 -1.82 0.00 0.00 70.33 67.08 1uc3 n THR 45 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1uc3 h PRO 46 N 5.12 0.61 0.00 -2.82 0.11 -1.74 -1.90 132.00 131.38 1uc3 h PRO 46 Ca 0.16 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.20 1uc3 h PRO 46 Cb 0.74 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1uc3 h PRO 46 CO 0.73 0.40 -0.18 0.00 -0.21 0.00 0.00 178.00 178.74 1uc3 h ALA 47 N 1.63 1.43 -0.01 -0.75 0.00 -1.92 -2.60 119.26 117.05 1uc3 h ALA 47 Ca 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1uc3 h ALA 47 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1uc3 h ALA 47 CO -0.41 0.23 -0.07 0.00 0.00 0.00 0.00 179.25 179.00 1uc3 n ALA 48 N -2.39 2.72 -0.26 0.00 0.00 -0.72 -4.34 120.51 115.52 1uc3 n ALA 48 Ca -0.02 -0.44 -0.04 0.00 0.00 0.00 0.00 53.44 52.94 1uc3 n ALA 48 Cb 0.27 -1.14 0.12 0.00 0.00 0.00 0.00 19.45 18.70 1uc3 n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1uc3 h GLN 49 N 2.13 1.11 0.00 0.00 4.20 -1.43 -2.73 115.11 118.39 1uc3 h GLN 49 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1uc3 h GLN 49 Cb 0.52 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.11 1uc3 h GLN 49 CO 0.00 0.87 0.00 1.05 -0.67 0.00 0.00 178.83 180.08 1uc3 h GLU 50 N 1.09 0.00 0.00 1.46 4.11 -1.79 -1.50 114.58 117.95 1uc3 h GLU 50 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1uc3 h GLU 50 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1uc3 h GLU 50 CO -0.03 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.24 1uc3 n PHE 51 N -2.63 0.00 -3.35 2.06 3.72 -1.03 -3.75 117.46 112.48 1uc3 n PHE 51 Ca -0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.10 1uc3 n PHE 51 Cb 0.06 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.53 1uc3 n PHE 51 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1uc3 n PHE 52 N -0.82 3.57 -0.50 1.38 3.01 -0.57 -4.93 117.46 118.60 1uc3 n PHE 52 Ca 0.15 -4.01 0.42 0.00 1.01 0.00 0.00 57.45 55.02 1uc3 n PHE 52 Cb 0.07 -0.62 0.76 0.00 -0.01 0.00 0.00 39.48 39.68 1uc3 n PHE 52 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1uc3 h PRO 53 N 4.20 0.03 0.00 -1.08 0.11 -1.81 0.01 132.00 133.46 1uc3 h PRO 53 Ca 0.20 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1uc3 h PRO 53 Cb 0.64 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1uc3 h PRO 53 CO 0.88 0.02 -0.10 0.87 -0.21 0.00 0.00 178.00 179.46 1uc3 h LYS 54 N 0.03 0.00 -0.01 1.05 1.57 -1.93 -3.16 116.57 114.12 1uc3 h LYS 54 Ca 0.76 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.54 1uc3 h LYS 54 Cb 2.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 35.20 1uc3 h LYS 54 CO -0.08 0.10 -0.24 1.19 -0.57 0.00 0.00 179.45 179.85 1uc3 n PHE 55 N -3.14 0.00 -1.50 -1.35 3.72 -0.02 -4.92 117.46 110.26 1uc3 n PHE 55 Ca 0.03 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.02 1uc3 n PHE 55 Cb 0.53 -0.05 -0.12 0.00 -0.94 0.00 0.00 39.48 38.91 1uc3 n PHE 55 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1uc3 n LYS 56 N -0.03 0.30 0.00 -1.08 3.00 -1.19 -0.81 118.16 118.35 1uc3 n LYS 56 Ca 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1uc3 n LYS 56 Cb 0.42 -2.01 0.00 0.00 0.00 0.00 0.00 35.03 33.44 1uc3 n LYS 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1uc3 n GLY 57 N 6.44 1.97 3.82 3.14 0.00 -1.26 -5.11 105.19 114.18 1uc3 n GLY 57 Ca 0.57 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.97 1uc3 n GLY 57 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uc3 s MET 58 N 0.00 4.23 0.00 1.61 -1.94 0.01 -4.98 119.30 118.23 1uc3 s MET 58 Ca 0.00 0.85 0.00 0.00 -1.71 0.00 0.00 55.69 54.83 1uc3 s MET 58 Cb 0.00 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.99 1uc3 s MET 58 CO 0.00 0.38 0.00 0.25 -0.01 0.00 0.00 175.02 175.64 1uc3 n THR 59 N 0.65 0.00 -2.28 2.05 -2.24 -1.26 -5.02 114.28 106.18 1uc3 n THR 59 Ca -0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 1uc3 n THR 59 Cb 0.51 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1uc3 n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1uc3 s SER 60 N -4.22 6.37 0.46 3.42 1.04 -1.26 -4.86 113.70 114.65 1uc3 s SER 60 Ca 0.00 1.64 0.19 0.00 0.48 0.00 0.00 55.95 58.26 1uc3 s SER 60 Cb 0.00 -2.52 1.11 0.00 0.10 0.00 0.00 66.02 64.72 1uc3 s SER 60 CO 0.00 -0.76 1.99 0.00 0.98 0.00 0.00 173.24 175.44 1uc3 h ALA 61 N 0.75 1.46 -0.52 5.32 0.00 -1.99 -2.66 119.26 121.63 1uc3 h ALA 61 Ca -0.47 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1uc3 h ALA 61 Cb 1.19 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1uc3 h ALA 61 CO 0.60 0.25 -0.02 -0.44 0.00 0.00 0.00 179.25 179.65 1uc3 h ASP 62 N 0.00 0.91 0.60 0.00 5.19 -1.99 -2.07 116.42 119.07 1uc3 h ASP 62 Ca -0.00 -0.31 -0.03 0.00 -0.62 0.00 0.00 57.03 56.06 1uc3 h ASP 62 Cb 0.40 -0.25 0.01 0.00 0.18 0.00 0.00 39.33 39.67 1uc3 h ASP 62 CO 0.03 1.01 -0.29 1.56 -3.12 0.00 0.00 179.24 178.42 1uc3 h GLN 63 N 0.80 -0.78 -0.88 3.56 4.20 -1.88 -3.01 115.11 117.12 1uc3 h GLN 63 Ca 0.15 0.05 0.22 0.00 0.06 0.00 0.00 58.65 59.13 1uc3 h GLN 63 Cb 0.55 0.18 -0.13 0.00 0.30 0.00 0.00 27.48 28.38 1uc3 h GLN 63 CO 0.03 -0.47 0.32 -0.07 -0.67 0.00 0.00 178.83 177.98 1uc3 h LEU 64 N -1.00 0.19 -1.03 1.46 3.38 -1.47 -0.56 115.31 116.28 1uc3 h LEU 64 Ca -0.08 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1uc3 h LEU 64 Cb 0.67 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 1uc3 h LEU 64 CO 0.14 -0.07 -0.12 0.11 0.09 0.00 0.00 178.44 178.59 1uc3 h LYS 65 N 0.31 0.00 -0.01 1.13 1.57 -1.36 -2.81 116.57 115.40 1uc3 h LYS 65 Ca 0.55 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1uc3 h LYS 65 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1uc3 h LYS 65 CO -0.58 0.12 -0.21 1.63 -0.57 0.00 0.00 179.45 179.84 1uc3 n LYS 66 N -3.22 1.11 -3.00 3.15 5.02 -0.25 -4.88 118.16 116.10 1uc3 n LYS 66 Ca 0.01 -0.69 -0.40 0.00 -2.02 0.00 0.00 58.31 55.21 1uc3 n LYS 66 Cb 0.41 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 1uc3 n LYS 66 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1uc3 s SER 67 N -2.37 7.21 0.16 4.39 0.15 -1.04 -4.96 113.70 117.24 1uc3 s SER 67 Ca 0.27 1.44 -0.06 0.00 0.70 0.00 0.00 55.95 58.30 1uc3 s SER 67 Cb 0.20 -2.46 0.01 0.00 -1.71 0.00 0.00 66.02 62.06 1uc3 s SER 67 CO 0.47 0.04 1.43 0.00 1.20 0.00 0.00 173.24 176.39 1uc3 h ALA 68 N 5.52 0.56 -0.65 5.45 0.00 -1.89 -2.71 119.26 125.54 1uc3 h ALA 68 Ca -0.44 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 53.94 1uc3 h ALA 68 Cb 1.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1uc3 h ALA 68 CO 0.70 0.70 0.40 -0.44 0.00 0.00 0.00 179.25 180.62 1uc3 h ASP 69 N 0.46 0.66 -0.10 0.00 3.32 -1.93 -0.64 116.42 118.19 1uc3 h ASP 69 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1uc3 h ASP 69 Cb 1.21 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 1uc3 h ASP 69 CO 0.12 0.46 0.03 0.58 -1.72 0.00 0.00 179.24 178.71 1uc3 h VAL 70 N 0.79 1.19 -0.13 -1.35 2.07 -1.79 -1.67 116.25 115.36 1uc3 h VAL 70 Ca 0.26 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1uc3 h VAL 70 Cb 0.02 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1uc3 h VAL 70 CO -0.10 0.17 -0.04 0.03 0.02 0.00 0.00 177.57 177.65 1uc3 h ARG 71 N -0.04 -0.01 -0.54 1.57 3.08 -1.18 0.17 114.38 117.43 1uc3 h ARG 71 Ca 0.03 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1uc3 h ARG 71 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1uc3 h ARG 71 CO 0.00 -0.01 0.34 2.35 -1.07 0.00 0.00 179.97 181.58 1uc3 h TRP 72 N -0.01 0.63 -0.27 3.04 -0.00 -1.10 0.68 115.95 118.92 1uc3 h TRP 72 Ca 0.07 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.96 1uc3 h TRP 72 Cb 0.11 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.05 1uc3 h TRP 72 CO -0.18 0.37 0.11 1.25 -0.00 0.00 0.00 178.44 180.00 1uc3 h HIS 73 N 0.67 0.40 -0.60 2.65 2.76 -1.08 -1.44 115.15 118.51 1uc3 h HIS 73 Ca 0.21 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.28 1uc3 h HIS 73 Cb -0.01 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 1uc3 h HIS 73 CO -0.05 0.40 0.07 0.00 -1.30 0.00 0.00 177.93 177.04 1uc3 h ALA 74 N 0.96 1.00 -0.64 5.26 0.00 -0.11 -1.20 119.26 124.53 1uc3 h ALA 74 Ca 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1uc3 h ALA 74 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1uc3 h ALA 74 CO -0.01 0.63 0.24 0.93 0.00 0.00 0.00 179.25 181.04 1uc3 h GLU 75 N 0.92 0.98 -0.46 0.00 5.08 0.60 -0.15 114.58 121.56 1uc3 h GLU 75 Ca 0.18 -0.19 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1uc3 h GLU 75 Cb 0.44 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1uc3 h GLU 75 CO 0.01 0.84 -0.18 0.00 -1.00 0.00 0.00 179.01 178.68 1uc3 h ARG 76 N 0.91 0.93 0.07 2.33 3.08 -1.08 -1.93 114.38 118.71 1uc3 h ARG 76 Ca 0.21 -0.39 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1uc3 h ARG 76 Cb 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1uc3 h ARG 76 CO -0.01 1.05 -0.03 0.82 -1.07 0.00 0.00 179.97 180.72 1uc3 h ILE 77 N 0.77 0.98 -0.17 2.04 2.04 -0.91 -2.01 117.51 120.25 1uc3 h ILE 77 Ca 0.11 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1uc3 h ILE 77 Cb 0.74 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1uc3 h ILE 77 CO 0.06 0.04 -0.07 -0.29 0.00 0.00 0.00 178.15 177.89 1uc3 h ILE 78 N -0.17 1.15 0.00 -0.67 6.09 -1.02 -2.53 117.51 120.36 1uc3 h ILE 78 Ca -0.01 -0.64 -0.10 0.00 -1.37 0.00 0.00 64.86 62.74 1uc3 h ILE 78 Cb 0.14 1.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 1uc3 h ILE 78 CO 0.02 0.20 -0.48 0.78 -3.07 0.00 0.00 178.15 175.60 1uc3 h ASN 79 N 0.24 0.00 -0.26 2.19 2.35 -1.11 -1.92 115.58 117.07 1uc3 h ASN 79 Ca 0.05 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 1uc3 h ASN 79 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1uc3 h ASN 79 CO 0.01 0.48 -0.32 0.00 -1.65 0.00 0.00 177.43 175.96 1uc3 h ALA 80 N 1.52 0.77 -0.25 -0.83 0.00 -0.93 0.16 119.26 119.70 1uc3 h ALA 80 Ca -0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1uc3 h ALA 80 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1uc3 h ALA 80 CO 0.06 0.65 -0.40 0.28 0.00 0.00 0.00 179.25 179.85 1uc3 h VAL 81 N 0.66 1.30 -0.83 0.00 2.07 -1.41 -2.16 116.25 115.88 1uc3 h VAL 81 Ca 0.07 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 1uc3 h VAL 81 Cb 0.85 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 1uc3 h VAL 81 CO 0.07 0.49 0.48 -1.13 0.02 0.00 0.00 177.57 177.51 1uc3 h ASN 82 N 0.47 1.01 -0.94 0.57 -1.24 -0.84 0.18 115.58 114.79 1uc3 h ASN 82 Ca 0.04 -0.08 0.01 0.00 0.71 0.00 0.00 56.30 56.98 1uc3 h ASN 82 Cb 0.90 -0.26 -0.05 0.00 0.73 0.00 0.00 38.32 39.64 1uc3 h ASN 82 CO 0.08 0.80 0.62 0.44 -1.29 0.00 0.00 177.43 178.07 1uc3 h ASP 83 N 1.14 1.09 -0.23 1.15 3.32 -0.56 -0.23 116.42 122.10 1uc3 h ASP 83 Ca 0.30 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 1uc3 h ASP 83 Cb -0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1uc3 h ASP 83 CO -0.05 0.79 -0.08 0.00 -1.72 0.00 0.00 179.24 178.18 1uc3 h ALA 84 N 1.40 0.32 -0.56 3.45 0.00 -0.69 -2.02 119.26 121.16 1uc3 h ALA 84 Ca 0.34 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1uc3 h ALA 84 Cb -0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1uc3 h ALA 84 CO -0.07 0.14 0.32 0.28 0.00 0.00 0.00 179.25 179.91 1uc3 h VAL 85 N 0.18 1.01 0.00 0.00 2.07 -0.57 -0.14 116.25 118.81 1uc3 h VAL 85 Ca 0.06 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1uc3 h VAL 85 Cb 0.55 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1uc3 h VAL 85 CO 0.03 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.73 1uc3 n ALA 86 N -2.31 1.94 -0.93 1.67 0.00 -0.14 -2.81 120.51 117.94 1uc3 n ALA 86 Ca 0.05 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1uc3 n ALA 86 Cb 0.11 -1.31 0.25 0.00 0.00 0.00 0.00 19.45 18.50 1uc3 n ALA 86 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uc3 n SER 87 N -1.40 3.74 0.17 0.00 7.64 -0.09 -4.67 113.62 119.00 1uc3 n SER 87 Ca 0.07 -2.93 0.12 0.00 1.01 0.00 0.00 58.87 57.14 1uc3 n SER 87 Cb 0.19 -0.51 0.59 0.00 -1.01 0.00 0.00 64.21 63.47 1uc3 n SER 87 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1uc3 h MET 88 N 1.74 0.00 -0.48 1.43 2.86 -1.32 -0.76 114.93 118.41 1uc3 h MET 88 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1uc3 h MET 88 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1uc3 h MET 88 CO 0.19 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.91 1uc3 n ASP 89 N -2.34 3.32 -3.05 1.22 8.00 -1.26 -4.63 116.55 117.81 1uc3 n ASP 89 Ca -0.00 -2.03 -0.19 0.00 0.71 0.00 0.00 54.79 53.28 1uc3 n ASP 89 Cb 0.12 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 1uc3 n ASP 89 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1uc3 n ASP 90 N 0.87 -0.94 0.16 -2.24 2.03 -0.29 -4.98 116.55 111.15 1uc3 n ASP 90 Ca 0.16 -2.87 0.10 0.00 0.52 0.00 0.00 54.79 52.70 1uc3 n ASP 90 Cb 0.51 0.22 0.62 0.00 -0.72 0.00 0.00 41.12 41.75 1uc3 n ASP 90 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1uc3 h THR 91 N 2.55 0.95 -0.12 5.18 2.02 -1.82 -2.16 112.91 119.51 1uc3 h THR 91 Ca 0.01 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1uc3 h THR 91 Cb 0.94 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 1uc3 h THR 91 CO 0.40 0.01 -0.06 -0.08 0.37 0.00 0.00 175.52 176.17 1uc3 h GLU 92 N 0.07 -0.04 -0.40 6.66 4.81 -1.94 0.46 114.58 124.20 1uc3 h GLU 92 Ca 0.08 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1uc3 h GLU 92 Cb 0.24 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1uc3 h GLU 92 CO -0.01 -0.03 0.11 -0.22 -0.73 0.00 0.00 179.01 178.14 1uc3 h LYS 93 N -0.04 0.63 -0.44 1.92 3.64 -1.76 -2.09 116.57 118.43 1uc3 h LYS 93 Ca 0.07 -0.14 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1uc3 h LYS 93 Cb 0.14 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 1uc3 h LYS 93 CO -0.15 0.64 -0.03 1.98 -2.27 0.00 0.00 179.45 179.63 1uc3 h MET 94 N 0.51 0.08 -0.55 1.90 4.05 -1.07 -1.99 114.93 117.84 1uc3 h MET 94 Ca 0.13 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1uc3 h MET 94 Cb 0.28 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.04 1uc3 h MET 94 CO -0.00 0.05 0.22 0.77 0.23 0.00 0.00 176.91 178.18 1uc3 h SER 95 N 0.08 0.76 -0.24 1.39 0.02 -0.69 -1.80 113.55 113.07 1uc3 h SER 95 Ca 0.22 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1uc3 h SER 95 Cb 0.32 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1uc3 h SER 95 CO -0.39 0.72 0.13 0.24 -1.14 0.00 0.00 176.83 176.40 1uc3 h MET 96 N 0.76 0.27 -0.47 3.45 2.07 -0.84 0.38 114.93 120.55 1uc3 h MET 96 Ca 0.19 -0.02 -0.04 0.00 -2.07 0.00 0.00 59.70 57.76 1uc3 h MET 96 Cb 0.19 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.84 1uc3 h MET 96 CO -0.02 0.18 0.13 0.87 1.07 0.00 0.00 176.91 179.14 1uc3 h LYS 97 N 0.28 0.74 -0.13 1.72 1.57 -1.31 -1.74 116.57 117.70 1uc3 h LYS 97 Ca 0.10 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1uc3 h LYS 97 Cb 0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1uc3 h LYS 97 CO -0.05 0.71 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.94 1uc3 h LEU 98 N 0.63 0.41 -0.71 2.94 3.38 -1.15 -1.55 115.31 119.25 1uc3 h LEU 98 Ca 0.15 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1uc3 h LEU 98 Cb 0.30 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1uc3 h LEU 98 CO -0.00 0.87 0.15 0.03 0.09 0.00 0.00 178.44 179.58 1uc3 h ARG 99 N 0.29 1.14 -0.40 1.13 3.08 -0.10 0.25 114.38 119.77 1uc3 h ARG 99 Ca 0.01 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.74 1uc3 h ARG 99 Cb 1.03 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1uc3 h ARG 99 CO 0.09 1.01 0.11 0.22 -1.07 0.00 0.00 179.97 180.33 1uc3 h ASP 100 N 1.07 0.59 -0.32 7.04 1.82 -1.11 -2.29 116.42 123.22 1uc3 h ASP 100 Ca 0.22 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 1uc3 h ASP 100 Cb 0.40 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 1uc3 h ASP 100 CO 0.01 0.65 0.13 0.25 -1.61 0.00 0.00 179.24 178.67 1uc3 h LEU 101 N 0.50 0.48 -0.46 2.28 5.85 -0.81 -2.10 115.31 121.05 1uc3 h LEU 101 Ca 0.13 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1uc3 h LEU 101 Cb 0.28 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1uc3 h LEU 101 CO -0.00 0.46 0.29 -1.28 -0.34 0.00 0.00 178.44 177.57 1uc3 h SER 102 N 0.53 0.54 -0.93 1.25 0.87 -0.06 -2.28 113.55 113.47 1uc3 h SER 102 Ca 0.13 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1uc3 h SER 102 Cb 0.14 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 1uc3 h SER 102 CO -0.01 0.41 0.60 1.23 -0.53 0.00 0.00 176.83 178.53 1uc3 h GLY 103 N 0.62 1.32 1.02 5.77 0.00 -0.85 -1.16 103.07 109.80 1uc3 h GLY 103 Ca 0.17 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 1uc3 h GLY 103 CO -0.03 0.50 0.06 0.50 0.00 0.00 0.00 176.54 177.56 1uc3 h LYS 104 N 1.27 0.92 -0.12 4.80 1.57 -1.23 0.12 116.57 123.90 1uc3 h LYS 104 Ca 0.34 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1uc3 h LYS 104 Cb -0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1uc3 h LYS 104 CO -0.07 0.90 0.07 0.45 -0.57 0.00 0.00 179.45 180.23 1uc3 h HIS 105 N 0.80 0.16 0.31 -1.35 3.86 -1.01 0.71 115.15 118.63 1uc3 h HIS 105 Ca 0.16 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 1uc3 h HIS 105 Cb 0.45 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1uc3 h HIS 105 CO 0.03 0.15 -0.15 0.00 0.86 0.00 0.00 177.93 178.83 1uc3 h ALA 106 N 0.99 -0.41 0.07 2.45 0.00 -1.15 0.84 119.26 122.05 1uc3 h ALA 106 Ca 0.04 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.52 1uc3 h ALA 106 Cb 0.05 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1uc3 h ALA 106 CO -0.01 -0.50 -1.10 0.87 0.00 0.00 0.00 179.25 178.52 1uc3 h LYS 107 N -0.88 0.20 0.00 0.00 1.57 -1.05 -3.32 116.57 113.09 1uc3 h LYS 107 Ca -0.04 -0.30 -0.17 0.00 -1.87 0.00 0.00 60.65 58.27 1uc3 h LYS 107 Cb 0.52 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1uc3 h LYS 107 CO 0.07 1.11 -1.57 0.43 -0.57 0.00 0.00 179.45 178.92 1uc3 n SER 108 N -3.52 1.21 0.20 0.86 7.64 -0.15 -4.71 113.62 115.14 1uc3 n SER 108 Ca -0.05 0.09 0.08 0.00 1.01 0.00 0.00 58.87 60.00 1uc3 n SER 108 Cb 0.95 -0.27 0.24 0.00 -1.01 0.00 0.00 64.21 64.12 1uc3 n SER 108 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1uc3 h PHE 109 N -0.30 0.00 -6.44 1.43 0.04 0.37 -3.48 116.94 108.57 1uc3 h PHE 109 Ca -0.25 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.02 1uc3 h PHE 109 Cb 1.25 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.31 1uc3 h PHE 109 CO -0.02 0.25 -0.78 1.04 -0.60 0.00 0.00 178.31 178.19 1uc3 n GLN 110 N -3.22 -4.83 -3.18 1.51 6.02 0.29 -4.94 117.38 109.03 1uc3 n GLN 110 Ca 0.02 0.53 -0.39 0.00 -0.01 0.00 0.00 57.00 57.15 1uc3 n GLN 110 Cb 0.56 -5.37 -0.05 0.00 1.02 0.00 0.00 30.24 26.39 1uc3 n GLN 110 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1uc3 s VAL 111 N -3.30 4.97 -0.05 5.09 -7.23 -0.88 -5.00 120.40 114.00 1uc3 s VAL 111 Ca 0.69 1.26 -0.34 0.00 -1.81 0.00 0.00 61.98 61.78 1uc3 s VAL 111 Cb -0.35 -3.95 -0.12 0.00 0.56 0.00 0.00 36.38 32.52 1uc3 s VAL 111 CO 0.86 0.37 1.82 -0.67 -0.31 0.00 0.00 175.10 177.17 1uc3 n ASP 112 N 3.06 3.33 -0.36 4.85 -0.08 -1.26 -4.77 116.55 121.31 1uc3 n ASP 112 Ca -0.06 1.00 0.06 0.00 -1.51 0.00 0.00 54.79 54.28 1uc3 n ASP 112 Cb 0.51 -1.37 0.22 0.00 2.34 0.00 0.00 41.12 42.82 1uc3 n ASP 112 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1uc3 h PRO 113 N 8.51 1.01 -0.57 -0.67 0.11 -1.97 -3.14 132.00 135.27 1uc3 h PRO 113 Ca -0.48 -0.06 0.17 0.00 0.11 0.00 0.00 66.00 65.74 1uc3 h PRO 113 Cb 1.27 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1uc3 h PRO 113 CO 0.94 0.67 0.59 -0.56 -0.21 0.00 0.00 178.00 179.42 1uc3 h GLN 114 N 1.04 0.00 0.00 1.05 3.07 -2.01 -2.37 115.11 115.88 1uc3 h GLN 114 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.22 1uc3 h GLN 114 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.97 1uc3 h GLN 114 CO -0.24 0.00 -0.10 1.88 0.09 0.00 0.00 178.83 180.46 1uc3 h TYR 115 N 0.00 0.00 -0.38 0.06 0.05 -1.94 -3.36 116.97 111.40 1uc3 h TYR 115 Ca 0.27 0.00 0.08 0.00 0.05 0.00 0.00 58.73 59.13 1uc3 h TYR 115 Cb 1.45 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.10 1uc3 h TYR 115 CO 0.00 0.00 -0.31 0.74 -1.05 0.00 0.00 178.16 177.54 1uc3 h PHE 116 N 0.00 -0.86 0.00 4.88 0.04 -1.65 -0.98 116.94 118.37 1uc3 h PHE 116 Ca 0.00 0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1uc3 h PHE 116 Cb 0.89 0.43 -0.00 0.00 2.20 0.00 0.00 35.95 39.47 1uc3 h PHE 116 CO 0.00 -0.37 -0.15 1.57 -0.60 0.00 0.00 178.31 178.75 1uc3 h LYS 117 N -0.25 0.00 -0.20 1.51 2.10 -1.80 -1.30 116.57 116.62 1uc3 h LYS 117 Ca 0.17 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.67 1uc3 h LYS 117 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 1uc3 h LYS 117 CO -0.52 0.15 -0.49 0.28 -2.00 0.00 0.00 179.45 176.88 1uc3 h VAL 118 N 0.00 1.32 -0.05 0.07 2.07 -1.39 -0.84 116.25 117.43 1uc3 h VAL 118 Ca -0.00 -1.71 -0.17 0.00 0.82 0.00 0.00 66.70 65.64 1uc3 h VAL 118 Cb 0.29 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1uc3 h VAL 118 CO 0.02 0.53 -0.72 0.25 0.02 0.00 0.00 177.57 177.67 1uc3 h LEU 119 N 0.42 0.30 -1.33 2.57 5.85 -0.92 -2.92 115.31 119.28 1uc3 h LEU 119 Ca 0.02 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.48 1uc3 h LEU 119 Cb 1.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1uc3 h LEU 119 CO 0.09 0.92 -0.27 0.00 -0.34 0.00 0.00 178.44 178.84 1uc3 h ALA 120 N 1.07 1.16 -0.27 1.25 0.00 -0.92 -2.53 119.26 119.03 1uc3 h ALA 120 Ca -0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1uc3 h ALA 120 Cb 1.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1uc3 h ALA 120 CO 0.11 0.34 -0.34 0.00 0.00 0.00 0.00 179.25 179.35 1uc3 h ALA 121 N 1.73 0.40 -0.35 0.00 0.00 -0.97 -1.82 119.26 118.25 1uc3 h ALA 121 Ca -0.00 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1uc3 h ALA 121 Cb 0.65 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1uc3 h ALA 121 CO 0.03 0.46 0.18 0.28 0.00 0.00 0.00 179.25 180.21 1uc3 h VAL 122 N 0.44 1.00 -0.53 0.00 2.07 -1.37 -0.27 116.25 117.59 1uc3 h VAL 122 Ca 0.03 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1uc3 h VAL 122 Cb 0.93 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1uc3 h VAL 122 CO 0.08 0.07 0.34 0.40 0.02 0.00 0.00 177.57 178.48 1uc3 h ILE 123 N 0.38 1.11 -0.53 4.57 2.04 -1.41 -0.33 117.51 123.33 1uc3 h ILE 123 Ca 0.14 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1uc3 h ILE 123 Cb 0.04 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 1uc3 h ILE 123 CO -0.09 0.13 0.28 0.00 0.00 0.00 0.00 178.15 178.47 1uc3 h ALA 124 N 1.21 0.69 -0.07 1.87 0.00 -0.85 0.60 119.26 122.70 1uc3 h ALA 124 Ca 0.20 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1uc3 h ALA 124 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1uc3 h ALA 124 CO -0.06 0.22 -0.30 0.22 0.00 0.00 0.00 179.25 179.32 1uc3 h ASP 125 N 0.72 0.12 0.23 0.00 3.58 -0.72 0.10 116.42 120.44 1uc3 h ASP 125 Ca 0.19 -0.04 -0.33 0.00 0.42 0.00 0.00 57.03 57.27 1uc3 h ASP 125 Cb 0.06 -0.03 0.04 0.00 1.72 0.00 0.00 39.33 41.12 1uc3 h ASP 125 CO -0.03 0.43 -1.41 0.74 -2.88 0.00 0.00 179.24 176.08 1uc3 h THR 126 N 0.11 1.29 0.03 2.25 2.02 -0.40 -3.31 112.91 114.90 1uc3 h THR 126 Ca 0.01 -2.65 -0.07 0.00 0.77 0.00 0.00 66.41 64.47 1uc3 h THR 126 Cb 0.60 3.00 0.01 0.00 -1.74 0.00 0.00 68.15 70.01 1uc3 h THR 126 CO 0.04 0.79 -0.30 0.58 0.37 0.00 0.00 175.52 177.01 1uc3 h VAL 127 N 0.15 1.61 -0.52 3.16 2.07 0.28 -3.46 116.25 119.54 1uc3 h VAL 127 Ca -0.24 -2.18 0.06 0.00 0.82 0.00 0.00 66.70 65.16 1uc3 h VAL 127 Cb 2.11 3.03 -0.18 0.00 -1.52 0.00 0.00 31.29 34.73 1uc3 h VAL 127 CO 0.27 0.59 -0.24 0.00 0.02 0.00 0.00 177.57 178.21 1uc3 s ALA 128 N -2.73 -3.62 0.23 1.67 0.00 0.33 -4.79 121.76 112.83 1uc3 s ALA 128 Ca -0.16 0.88 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 1uc3 s ALA 128 Cb -0.00 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 20.12 1uc3 s ALA 128 CO 0.75 -2.37 1.48 0.00 0.00 0.00 0.00 175.76 175.61 1uc3 s ALA 129 N 1.95 3.67 0.00 0.00 0.00 -1.00 -3.14 121.76 123.25 1uc3 s ALA 129 Ca 0.15 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1uc3 s ALA 129 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1uc3 s ALA 129 CO -0.12 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1uc3 n GLY 130 N 2.63 2.70 3.41 0.00 0.00 -1.26 -5.00 105.19 107.67 1uc3 n GLY 130 Ca 0.09 -0.65 -0.58 0.00 0.00 0.00 0.00 46.02 44.88 1uc3 n GLY 130 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uc3 n ASP 131 N 2.06 1.34 0.24 1.61 2.03 -1.19 -4.78 116.55 117.86 1uc3 n ASP 131 Ca 0.00 0.71 0.11 0.00 0.52 0.00 0.00 54.79 56.13 1uc3 n ASP 131 Cb 0.00 -1.02 0.55 0.00 -0.72 0.00 0.00 41.12 39.93 1uc3 n ASP 131 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uc3 h ALA 132 N 9.22 1.08 -0.16 -1.67 0.00 -1.94 -2.98 119.26 122.81 1uc3 h ALA 132 Ca -0.22 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 1uc3 h ALA 132 Cb 1.38 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1uc3 h ALA 132 CO 1.04 0.24 -0.17 0.78 0.00 0.00 0.00 179.25 181.14 1uc3 h GLY 133 N 1.72 0.43 1.19 0.00 0.00 -1.91 -1.85 103.07 102.66 1uc3 h GLY 133 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1uc3 h GLY 133 CO 0.02 0.40 0.26 -2.75 0.00 0.00 0.00 176.54 174.48 1uc3 h PHE 134 N 0.03 1.04 -0.17 5.60 3.57 -1.85 -1.31 116.94 123.86 1uc3 h PHE 134 Ca 0.02 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1uc3 h PHE 134 Cb 0.71 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1uc3 h PHE 134 CO 0.08 0.80 -0.14 0.93 -2.23 0.00 0.00 178.31 177.76 1uc3 h GLU 135 N 1.00 0.27 -0.71 1.11 5.08 -1.45 -1.71 114.58 118.18 1uc3 h GLU 135 Ca 0.23 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1uc3 h GLU 135 Cb 0.21 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1uc3 h GLU 135 CO -0.02 0.42 0.18 -0.22 -1.00 0.00 0.00 179.01 178.37 1uc3 h LYS 136 N 0.26 1.13 -0.46 2.33 3.64 -0.38 -1.07 116.57 122.03 1uc3 h LYS 136 Ca 0.05 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1uc3 h LYS 136 Cb 0.40 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1uc3 h LYS 136 CO 0.02 1.00 0.23 1.25 -2.27 0.00 0.00 179.45 179.68 1uc3 h LEU 137 N 1.07 0.59 -1.46 5.20 6.46 -0.83 -1.23 115.31 125.12 1uc3 h LEU 137 Ca 0.22 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 1uc3 h LEU 137 Cb 0.37 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1uc3 h LEU 137 CO 0.00 0.54 0.21 0.24 -0.62 0.00 0.00 178.44 178.81 1uc3 h MET 138 N 0.60 0.57 -0.22 1.25 2.86 -0.88 -0.63 114.93 118.49 1uc3 h MET 138 Ca 0.16 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1uc3 h MET 138 Cb 0.10 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1uc3 h MET 138 CO -0.02 0.44 -0.22 0.77 1.06 0.00 0.00 176.91 178.94 1uc3 h SER 139 N 0.58 0.57 -0.47 1.22 0.02 -0.60 0.13 113.55 115.00 1uc3 h SER 139 Ca 0.15 -0.48 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1uc3 h SER 139 Cb 0.05 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 1uc3 h SER 139 CO -0.02 0.93 0.24 0.24 -1.14 0.00 0.00 176.83 177.08 1uc3 h MET 140 N 0.22 0.46 -0.05 3.45 2.07 -0.77 0.30 114.93 120.62 1uc3 h MET 140 Ca 0.03 -0.03 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1uc3 h MET 140 Cb 0.77 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 30.40 1uc3 h MET 140 CO 0.05 0.30 0.03 0.82 1.07 0.00 0.00 176.91 179.19 1uc3 h ILE 141 N 0.47 1.07 -0.69 -1.22 2.04 -0.97 -1.64 117.51 116.57 1uc3 h ILE 141 Ca 0.20 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1uc3 h ILE 141 Cb 0.11 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1uc3 h ILE 141 CO -0.14 0.06 0.17 0.00 0.00 0.00 0.00 178.15 178.24 1uc3 h ILE 143 N 1.05 0.88 -0.55 0.00 2.04 -0.28 -2.47 117.51 118.19 1uc3 h ILE 143 Ca 0.22 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.04 1uc3 h ILE 143 Cb 0.37 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1uc3 h ILE 143 CO 0.00 0.00 0.19 -0.07 0.00 0.00 0.00 178.15 178.28 1uc3 h LEU 144 N -0.12 0.74 -1.24 1.44 3.38 -1.05 -2.07 115.31 116.38 1uc3 h LEU 144 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1uc3 h LEU 144 Cb 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1uc3 h LEU 144 CO -0.01 0.68 0.00 -0.07 0.09 0.00 0.00 178.44 179.13 1uc3 h LEU 145 N 0.79 0.00 -1.28 1.67 3.38 -0.47 -2.30 115.31 117.10 1uc3 h LEU 145 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1uc3 h LEU 145 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1uc3 h LEU 145 CO -0.01 0.00 -0.29 0.54 0.09 0.00 0.00 178.44 178.76 1uc3 n ARG 146 N -2.59 1.59 0.12 1.13 1.74 -0.80 -4.52 116.66 113.33 1uc3 n ARG 146 Ca 0.01 -1.26 0.17 0.00 -0.77 0.00 0.00 57.85 55.99 1uc3 n ARG 146 Cb 0.21 -1.43 0.72 0.00 -1.02 0.00 0.00 32.46 30.94 1uc3 n ARG 146 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1uc3 h SER 147 N 3.02 0.00 0.23 0.55 4.64 -1.13 -1.69 113.55 119.16 1uc3 h SER 147 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uc3 h SER 147 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1uc3 h SER 147 CO 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 175.83 1uc3 n ALA 148 N -2.53 2.82 1.68 5.18 0.00 -1.26 -5.08 120.51 121.32 1uc3 n ALA 148 Ca 0.05 -0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.30 1uc3 n ALA 148 Cb 0.41 -1.25 0.68 0.00 0.00 0.00 0.00 19.45 19.29 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16