#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 4.72 0.35 4.25 1.01 -1.26 -4.90 121.20 125.37 1uc3 s ILE 2 Ca 0.00 1.74 0.08 0.00 0.00 0.00 0.00 60.65 62.47 1uc3 s ILE 2 Cb 0.00 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 1uc3 s ILE 2 CO 0.00 -0.20 0.12 0.68 0.00 0.00 0.00 174.94 175.54 1uc3 s VAL 3 N 3.13 2.80 -0.12 2.92 -7.23 -1.26 -4.98 120.40 115.66 1uc3 s VAL 3 Ca 0.40 -1.75 0.19 0.00 -1.81 0.00 0.00 61.98 59.01 1uc3 s VAL 3 Cb -0.15 -2.94 0.43 0.00 0.56 0.00 0.00 36.38 34.29 1uc3 s VAL 3 CO 0.09 -0.15 1.19 -0.90 -0.31 0.00 0.00 175.10 175.01 1uc3 n ASP 4 N -1.13 1.56 -3.61 4.85 5.68 -1.26 -4.23 116.55 118.41 1uc3 n ASP 4 Ca -0.03 -2.83 -0.05 0.00 -0.50 0.00 0.00 54.79 51.37 1uc3 n ASP 4 Cb 0.62 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 40.18 1uc3 n ASP 4 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1uc3 s SER 5 N -2.72 -0.25 0.00 -1.12 1.04 -1.26 -4.44 113.70 104.95 1uc3 s SER 5 Ca 0.36 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1uc3 s SER 5 Cb 0.38 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1uc3 s SER 5 CO -0.11 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1uc3 n GLY 6 N -0.33 -0.61 3.34 7.32 0.00 -1.26 -4.94 105.19 108.72 1uc3 n GLY 6 Ca -0.07 -1.33 -0.20 0.00 0.00 0.00 0.00 46.02 44.42 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 2.67 -0.04 1.61 0.15 -1.26 -5.10 113.70 107.73 1uc3 s SER 7 Ca 0.00 -0.94 -0.01 0.00 0.70 0.00 0.00 55.95 55.70 1uc3 s SER 7 Cb 0.00 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1uc3 s SER 7 CO 0.00 -0.09 0.04 0.68 1.20 0.00 0.00 173.24 175.07 1uc3 s VAL 8 N -2.47 0.02 0.44 4.45 -7.23 -1.26 -5.12 120.40 109.23 1uc3 s VAL 8 Ca 0.19 0.29 -0.23 0.00 -1.81 0.00 0.00 61.98 60.43 1uc3 s VAL 8 Cb -0.04 -0.22 -0.11 0.00 0.56 0.00 0.00 36.38 36.58 1uc3 s VAL 8 CO 0.07 0.17 0.80 0.00 -0.31 0.00 0.00 175.10 175.83 1uc3 n ALA 9 N 4.90 -0.56 -0.69 1.32 0.00 -1.26 -4.90 120.51 119.32 1uc3 n ALA 9 Ca -0.12 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.17 1uc3 n ALA 9 Cb 0.50 -1.95 0.17 0.00 0.00 0.00 0.00 19.45 18.17 1uc3 n ALA 9 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1uc3 n PRO 10 N 0.20 -1.28 -3.05 0.00 -0.02 -1.26 -4.93 135.00 124.66 1uc3 n PRO 10 Ca 0.11 -0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 60.83 1uc3 n PRO 10 Cb 0.40 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 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 -2.06 4.07 0.80 2.45 1.43 -1.26 -5.05 118.68 119.07 1uc3 s LEU 11 Ca 0.58 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 54.37 1uc3 s LEU 11 Cb -0.16 -2.95 0.07 0.00 0.03 0.00 0.00 46.19 43.19 1uc3 s LEU 11 CO 0.66 -0.40 1.11 -0.94 0.23 0.00 0.00 176.35 177.01 1uc3 s SER 12 N 1.42 4.14 0.24 2.29 1.04 -1.26 -4.81 113.70 116.76 1uc3 s SER 12 Ca 0.29 1.94 -0.07 0.00 0.48 0.00 0.00 55.95 58.59 1uc3 s SER 12 Cb -0.15 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.70 1uc3 s SER 12 CO 0.08 -2.28 1.89 0.00 0.98 0.00 0.00 173.24 173.91 1uc3 h ALA 13 N -1.22 1.18 0.03 5.32 0.00 -2.00 -1.89 119.26 120.67 1uc3 h ALA 13 Ca -0.44 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1uc3 h ALA 13 Cb 1.24 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1uc3 h ALA 13 CO 0.49 0.45 -0.11 0.00 0.00 0.00 0.00 179.25 180.08 1uc3 h ALA 14 N 1.37 -0.14 0.01 0.00 0.00 -2.01 -2.63 119.26 115.85 1uc3 h ALA 14 Ca 0.35 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1uc3 h ALA 14 Cb -0.01 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1uc3 h ALA 14 CO -0.11 -0.61 -0.15 0.93 0.00 0.00 0.00 179.25 179.31 1uc3 h GLU 15 N -0.19 -0.24 -0.41 0.00 5.08 -1.80 -2.71 114.58 114.30 1uc3 h GLU 15 Ca 0.03 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 1uc3 h GLU 15 Cb 0.23 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1uc3 h GLU 15 CO -0.09 -0.16 -0.29 0.87 -1.00 0.00 0.00 179.01 178.34 1uc3 h LYS 16 N -0.25 -0.21 -0.56 2.33 1.57 -1.21 -0.52 116.57 117.72 1uc3 h LYS 16 Ca 0.05 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 1uc3 h LYS 16 Cb 0.31 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 1uc3 h LYS 16 CO -0.14 -0.14 0.12 1.15 -0.57 0.00 0.00 179.45 179.87 1uc3 h THR 17 N -0.21 0.68 -0.37 -0.16 2.02 -1.30 -1.32 112.91 112.25 1uc3 h THR 17 Ca 0.19 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.30 1uc3 h THR 17 Cb 0.51 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1uc3 h THR 17 CO -0.53 0.05 0.21 0.50 0.37 0.00 0.00 175.52 176.11 1uc3 h LYS 18 N 0.26 0.41 -0.54 6.66 3.11 -0.94 -1.96 116.57 123.56 1uc3 h LYS 18 Ca 0.29 -0.02 0.08 0.00 -2.81 0.00 0.00 60.65 58.19 1uc3 h LYS 18 Cb 0.41 -0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.48 1uc3 h LYS 18 CO -0.37 0.27 0.18 0.82 -2.81 0.00 0.00 179.45 177.54 1uc3 h ILE 19 N 0.42 0.78 -0.56 2.00 2.04 -0.08 -0.71 117.51 121.40 1uc3 h ILE 19 Ca 0.15 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1uc3 h ILE 19 Cb 0.03 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 1uc3 h ILE 19 CO -0.08 0.06 0.26 0.03 0.00 0.00 0.00 178.15 178.42 1uc3 h ARG 20 N 0.35 0.80 -0.21 2.37 3.08 -0.87 -0.18 114.38 119.71 1uc3 h ARG 20 Ca 0.27 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 1uc3 h ARG 20 Cb 0.32 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1uc3 h ARG 20 CO -0.29 0.63 0.02 0.77 -1.07 0.00 0.00 179.97 180.02 1uc3 h SER 21 N 0.80 0.35 -0.09 7.04 0.02 -0.43 -2.45 113.55 118.78 1uc3 h SER 21 Ca 0.20 -0.29 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 1uc3 h SER 21 Cb 0.10 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1uc3 h SER 21 CO -0.02 0.55 -0.62 0.00 -1.14 0.00 0.00 176.83 175.59 1uc3 h ALA 22 N 0.81 0.52 -0.22 3.77 0.00 -0.99 -3.31 119.26 119.84 1uc3 h ALA 22 Ca 0.06 -0.55 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1uc3 h ALA 22 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1uc3 h ALA 22 CO 0.01 0.69 -0.50 2.35 0.00 0.00 0.00 179.25 181.80 1uc3 h TRP 23 N 0.52 0.76 -0.23 0.00 2.91 -1.06 -3.34 115.95 115.51 1uc3 h TRP 23 Ca -0.01 -0.25 0.05 0.00 1.13 0.00 0.00 58.89 59.81 1uc3 h TRP 23 Cb 1.21 -0.15 -0.07 0.00 -0.51 0.00 0.00 29.16 29.64 1uc3 h TRP 23 CO 0.06 0.99 -0.39 0.00 -1.03 0.00 0.00 178.44 178.07 1uc3 h ALA 24 N 0.96 -0.46 -0.57 2.65 0.00 -1.53 0.87 119.26 121.19 1uc3 h ALA 24 Ca 0.02 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1uc3 h ALA 24 Cb 1.04 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 1uc3 h ALA 24 CO 0.10 -0.86 0.22 -1.35 0.00 0.00 0.00 179.25 177.35 1uc3 h PRO 25 N -0.40 0.39 0.04 0.00 0.11 -1.74 0.10 132.00 130.50 1uc3 h PRO 25 Ca 0.11 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1uc3 h PRO 25 Cb 0.59 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1uc3 h PRO 25 CO -0.45 0.26 -0.02 0.28 -0.21 0.00 0.00 178.00 177.86 1uc3 h VAL 26 N 0.40 0.99 -0.49 3.15 2.07 -1.54 -3.14 116.25 117.69 1uc3 h VAL 26 Ca 0.28 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.60 1uc3 h VAL 26 Cb 0.33 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1uc3 h VAL 26 CO -0.28 0.03 -0.08 0.22 0.02 0.00 0.00 177.57 177.47 1uc3 h TYR 27 N -0.10 0.96 0.00 1.57 5.03 -0.50 -2.50 116.97 121.43 1uc3 h TYR 27 Ca -0.01 -0.18 0.00 0.00 2.58 0.00 0.00 58.73 61.13 1uc3 h TYR 27 Cb 0.09 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.12 1uc3 h TYR 27 CO -0.06 0.91 0.29 1.03 -1.32 0.00 0.00 178.16 179.01 1uc3 h SER 28 N 0.79 0.00 -0.81 -2.11 0.87 -0.93 0.46 113.55 111.82 1uc3 h SER 28 Ca 0.13 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.28 1uc3 h SER 28 Cb 0.59 0.00 -0.41 0.00 -0.44 0.00 0.00 62.40 62.14 1uc3 h SER 28 CO 0.04 0.00 -0.99 -3.20 -0.53 0.00 0.00 176.83 172.15 1uc3 n ASN 29 N -2.38 3.02 -0.01 6.23 5.15 -0.95 -4.91 115.26 121.41 1uc3 n ASN 29 Ca -0.01 -2.93 0.07 0.00 -0.60 0.00 0.00 54.58 51.11 1uc3 n ASN 29 Cb 0.32 -0.45 0.48 0.00 -0.53 0.00 0.00 39.78 39.60 1uc3 n ASN 29 CO 0.00 0.00 0.00 0.10 1.40 0.00 0.00 177.26 178.76 1uc3 h TYR 30 N 2.56 0.43 -0.69 1.20 -0.00 0.05 0.17 116.97 120.69 1uc3 h TYR 30 Ca 0.09 0.01 0.07 0.00 0.00 0.00 0.00 58.73 58.89 1uc3 h TYR 30 Cb 1.27 -0.14 -0.06 0.00 0.00 0.00 0.00 36.73 37.80 1uc3 h TYR 30 CO 0.65 0.25 0.38 0.93 -0.00 0.00 0.00 178.16 180.37 1uc3 h GLU 31 N 0.44 0.66 0.00 0.10 3.07 -1.90 0.31 114.58 117.27 1uc3 h GLU 31 Ca 0.18 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.94 1uc3 h GLU 31 Cb 0.18 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1uc3 h GLU 31 CO -0.04 0.44 -0.38 1.15 -1.40 0.00 0.00 179.01 178.78 1uc3 h THR 32 N 0.68 1.40 -0.45 1.13 2.02 -1.82 -3.23 112.91 112.65 1uc3 h THR 32 Ca 0.32 -2.19 0.09 0.00 0.77 0.00 0.00 66.41 65.39 1uc3 h THR 32 Cb 0.23 2.79 -0.08 0.00 -1.74 0.00 0.00 68.15 69.34 1uc3 h THR 32 CO -0.20 0.47 -0.06 0.28 0.37 0.00 0.00 175.52 176.38 1uc3 h SER 33 N -1.00 -0.31 -0.42 4.18 0.02 -0.60 -1.07 113.55 114.34 1uc3 h SER 33 Ca -0.10 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1uc3 h SER 33 Cb 1.02 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.76 1uc3 h SER 33 CO -0.06 -0.11 0.21 1.23 -1.14 0.00 0.00 176.83 176.96 1uc3 h GLY 34 N 0.05 0.58 0.08 -3.77 0.00 -0.54 -1.64 103.07 97.83 1uc3 h GLY 34 Ca 0.22 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1uc3 h GLY 34 CO -0.42 0.10 -0.05 -2.08 0.00 0.00 0.00 176.54 174.09 1uc3 h VAL 35 N 0.43 0.00 -0.96 4.60 2.07 -1.38 -0.65 116.25 120.35 1uc3 h VAL 35 Ca 0.18 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.01 1uc3 h VAL 35 Cb 0.09 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.70 1uc3 h VAL 35 CO -0.13 0.00 0.33 0.44 0.02 0.00 0.00 177.57 178.23 1uc3 h ASP 36 N -0.12 0.07 0.23 0.57 3.32 -1.23 0.37 116.42 119.63 1uc3 h ASP 36 Ca -0.01 0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1uc3 h ASP 36 Cb 0.10 0.30 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1uc3 h ASP 36 CO 0.01 -0.27 -0.11 0.40 -1.72 0.00 0.00 179.24 177.55 1uc3 h ILE 37 N 0.13 0.84 -0.13 0.35 2.04 -1.21 -1.79 117.51 117.74 1uc3 h ILE 37 Ca 0.67 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 66.02 1uc3 h ILE 37 Cb 1.53 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1uc3 h ILE 37 CO -0.74 0.11 0.07 0.25 0.00 0.00 0.00 178.15 177.84 1uc3 h LEU 38 N -0.58 0.10 -0.83 1.44 5.85 0.73 -1.40 115.31 120.63 1uc3 h LEU 38 Ca -0.03 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1uc3 h LEU 38 Cb 0.42 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 1uc3 h LEU 38 CO 0.05 0.08 0.54 0.58 -0.34 0.00 0.00 178.44 179.35 1uc3 h VAL 39 N 0.15 1.15 -0.26 1.05 2.07 -0.42 0.15 116.25 120.14 1uc3 h VAL 39 Ca 0.05 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1uc3 h VAL 39 Cb 0.01 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1uc3 h VAL 39 CO -0.04 0.19 0.08 0.50 0.02 0.00 0.00 177.57 178.33 1uc3 h LYS 40 N 1.06 0.41 -0.46 1.57 3.64 -1.06 -0.68 116.57 121.05 1uc3 h LYS 40 Ca 0.32 -0.09 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1uc3 h LYS 40 Cb -0.03 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 1uc3 h LYS 40 CO -0.10 0.48 0.21 0.35 -2.27 0.00 0.00 179.45 178.12 1uc3 h PHE 41 N 0.26 0.39 0.13 1.91 3.57 -0.75 -0.02 116.94 122.43 1uc3 h PHE 41 Ca 0.08 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1uc3 h PHE 41 Cb 0.24 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1uc3 h PHE 41 CO 0.00 0.19 -0.15 0.35 -2.23 0.00 0.00 178.31 176.47 1uc3 h PHE 42 N 0.43 -0.41 -0.98 0.41 3.57 -0.35 -1.93 116.94 117.68 1uc3 h PHE 42 Ca 0.20 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.84 1uc3 h PHE 42 Cb 0.14 0.16 -0.08 0.00 2.79 0.00 0.00 35.95 38.95 1uc3 h PHE 42 CO -0.11 -0.19 0.62 1.79 -2.23 0.00 0.00 178.31 178.18 1uc3 h THR 43 N -0.28 0.88 0.00 4.41 1.35 -1.07 -1.84 112.91 116.36 1uc3 h THR 43 Ca -0.02 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1uc3 h THR 43 Cb 0.25 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.56 1uc3 h THR 43 CO -0.03 0.17 0.00 -1.54 -0.25 0.00 0.00 175.52 173.87 1uc3 n SER 44 N -4.62 0.35 -3.64 5.36 3.41 -0.03 -4.27 113.62 110.19 1uc3 n SER 44 Ca 0.19 0.55 -0.28 0.00 -0.26 0.00 0.00 58.87 59.07 1uc3 n SER 44 Cb 0.40 -0.64 -0.11 0.00 -0.26 0.00 0.00 64.21 63.60 1uc3 n SER 44 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1uc3 s THR 45 N -3.08 1.44 0.42 6.66 2.01 -0.69 -4.98 115.64 117.42 1uc3 s THR 45 Ca 0.10 -3.15 0.10 0.00 0.31 0.00 0.00 61.69 59.05 1uc3 s THR 45 Cb 0.14 -1.97 0.29 0.00 0.01 0.00 0.00 72.50 70.97 1uc3 s THR 45 CO 0.49 -1.07 2.03 -0.65 -0.69 0.00 0.00 174.62 174.72 1uc3 h PRO 46 N 5.85 0.49 0.00 4.92 0.11 -1.74 -2.52 132.00 139.10 1uc3 h PRO 46 Ca 0.16 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1uc3 h PRO 46 Cb 0.86 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1uc3 h PRO 46 CO 0.51 0.32 -0.07 0.00 -0.21 0.00 0.00 178.00 178.55 1uc3 h ALA 47 N 1.73 1.42 -0.61 -0.75 0.00 -1.93 -2.58 119.26 116.53 1uc3 h ALA 47 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1uc3 h ALA 47 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1uc3 h ALA 47 CO -0.05 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1uc3 n ALA 48 N -2.32 3.33 0.07 0.00 0.00 -0.95 -4.38 120.51 116.27 1uc3 n ALA 48 Ca -0.02 -1.62 -0.01 0.00 0.00 0.00 0.00 53.44 51.78 1uc3 n ALA 48 Cb 0.17 -1.06 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 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 3.93 0.00 0.00 0.00 4.20 -1.56 -3.30 115.11 118.38 1uc3 h GLN 49 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1uc3 h GLN 49 Cb 1.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.36 1uc3 h GLN 49 CO 0.31 0.48 0.00 -0.85 -0.67 0.00 0.00 178.83 178.10 1uc3 n GLU 50 N -3.09 0.06 -0.20 1.46 0.28 -1.26 -2.19 120.64 115.71 1uc3 n GLU 50 Ca -0.05 0.25 0.09 0.00 -0.16 0.00 0.00 57.16 57.29 1uc3 n GLU 50 Cb 0.83 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 32.46 1uc3 n GLU 50 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1uc3 n PHE 51 N -1.43 0.52 -3.31 -1.84 3.72 -1.24 -4.35 117.46 109.53 1uc3 n PHE 51 Ca 0.04 -0.26 -0.27 0.00 -0.05 0.00 0.00 57.45 56.91 1uc3 n PHE 51 Cb 0.13 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.60 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 0.86 3.31 -0.29 1.38 3.01 -0.93 -4.96 117.46 119.84 1uc3 n PHE 52 Ca 0.17 -4.07 0.08 0.00 1.01 0.00 0.00 57.45 54.63 1uc3 n PHE 52 Cb 0.42 -0.53 0.19 0.00 -0.01 0.00 0.00 39.48 39.55 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 3.91 0.06 0.00 -1.08 0.11 -1.82 0.32 132.00 133.49 1uc3 h PRO 53 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1uc3 h PRO 53 Cb 0.66 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1uc3 h PRO 53 CO 0.80 0.04 0.00 1.63 -0.21 0.00 0.00 178.00 180.26 1uc3 n LYS 54 N -5.42 0.03 0.02 1.05 5.02 -1.26 -1.50 118.16 116.10 1uc3 n LYS 54 Ca 0.16 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.88 1uc3 n LYS 54 Cb 0.55 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.95 1uc3 n LYS 54 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1uc3 n PHE 55 N -1.42 0.38 -1.26 2.13 3.01 0.11 -4.89 117.46 115.53 1uc3 n PHE 55 Ca 0.02 0.11 -0.48 0.00 1.01 0.00 0.00 57.45 58.11 1uc3 n PHE 55 Cb 0.06 -0.71 -0.06 0.00 -0.01 0.00 0.00 39.48 38.76 1uc3 n PHE 55 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1uc3 n LYS 56 N -2.46 0.00 0.00 -1.08 4.81 -0.56 -1.41 118.16 117.45 1uc3 n LYS 56 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1uc3 n LYS 56 Cb 0.61 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.49 1uc3 n LYS 56 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uc3 n GLY 57 N 1.39 2.91 3.86 3.14 0.00 -1.26 -5.04 105.19 110.19 1uc3 n GLY 57 Ca 0.17 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 3.68 0.00 1.61 -1.94 -0.50 -4.94 119.30 117.21 1uc3 s MET 58 Ca 0.00 0.11 0.00 0.00 -1.71 0.00 0.00 55.69 54.09 1uc3 s MET 58 Cb 0.00 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1uc3 s MET 58 CO 0.00 0.69 0.00 0.25 -0.01 0.00 0.00 175.02 175.95 1uc3 n THR 59 N 1.56 0.00 -3.65 2.05 -2.24 -1.26 -4.98 114.28 105.75 1uc3 n THR 59 Ca -0.14 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.29 1uc3 n THR 59 Cb 0.53 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.00 6.60 0.33 3.42 1.04 -1.26 -4.87 113.70 118.96 1uc3 s SER 60 Ca 0.00 0.71 0.12 0.00 0.48 0.00 0.00 55.95 57.26 1uc3 s SER 60 Cb 0.00 -2.15 0.99 0.00 0.10 0.00 0.00 66.02 64.96 1uc3 s SER 60 CO 0.00 0.25 1.69 0.00 0.98 0.00 0.00 173.24 176.16 1uc3 h ALA 61 N 4.09 1.85 0.22 5.32 0.00 -1.99 -1.28 119.26 127.48 1uc3 h ALA 61 Ca -0.50 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1uc3 h ALA 61 Cb 1.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1uc3 h ALA 61 CO 0.65 -0.45 -0.20 -0.44 0.00 0.00 0.00 179.25 178.82 1uc3 h ASP 62 N 0.42 -0.51 0.44 0.00 5.19 -2.01 -2.90 116.42 117.05 1uc3 h ASP 62 Ca 0.69 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 57.13 1uc3 h ASP 62 Cb 1.46 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 41.14 1uc3 h ASP 62 CO -0.56 -0.30 -0.30 1.56 -3.12 0.00 0.00 179.24 176.53 1uc3 h GLN 63 N -0.44 -0.68 -0.83 3.56 4.20 -1.65 -3.21 115.11 116.06 1uc3 h GLN 63 Ca -0.01 0.05 0.12 0.00 0.06 0.00 0.00 58.65 58.87 1uc3 h GLN 63 Cb 0.40 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.21 1uc3 h GLN 63 CO -0.03 -0.45 -0.36 1.28 -0.67 0.00 0.00 178.83 178.60 1uc3 n LEU 64 N -4.21 -0.61 0.30 1.46 4.77 -0.99 -0.40 117.00 117.32 1uc3 n LEU 64 Ca -0.09 1.45 0.16 0.00 -0.03 0.00 0.00 56.01 57.51 1uc3 n LEU 64 Cb 0.30 -0.30 0.94 0.00 -2.33 0.00 0.00 43.42 42.03 1uc3 n LEU 64 CO 0.20 -1.28 1.12 0.11 -1.33 0.00 0.00 177.39 176.21 1uc3 h LYS 65 N 0.00 0.00 0.00 3.23 1.57 -1.52 -1.68 116.57 118.17 1uc3 h LYS 65 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1uc3 h LYS 65 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1uc3 h LYS 65 CO -0.81 0.01 -0.53 1.63 -0.57 0.00 0.00 179.45 179.18 1uc3 n LYS 66 N -3.73 0.07 -2.62 3.15 4.76 0.46 -4.87 118.16 115.38 1uc3 n LYS 66 Ca -0.03 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 1uc3 n LYS 66 Cb 0.09 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 31.72 1uc3 n LYS 66 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1uc3 s SER 67 N -3.28 7.19 0.29 4.39 0.15 -0.63 -4.94 113.70 116.87 1uc3 s SER 67 Ca 0.10 1.61 0.02 0.00 0.70 0.00 0.00 55.95 58.38 1uc3 s SER 67 Cb 0.17 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 62.37 1uc3 s SER 67 CO 0.70 -0.49 1.78 0.00 1.20 0.00 0.00 173.24 176.43 1uc3 h ALA 68 N 7.20 1.19 -0.20 5.45 0.00 -1.89 -1.92 119.26 129.08 1uc3 h ALA 68 Ca -0.32 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 1uc3 h ALA 68 Cb 1.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1uc3 h ALA 68 CO 0.86 0.52 -0.29 -0.44 0.00 0.00 0.00 179.25 179.91 1uc3 h ASP 69 N 0.53 0.40 0.55 0.00 3.32 -1.92 0.12 116.42 119.42 1uc3 h ASP 69 Ca 0.10 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 1uc3 h ASP 69 Cb 0.50 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1uc3 h ASP 69 CO 0.03 0.68 -0.74 0.58 -1.72 0.00 0.00 179.24 178.07 1uc3 h VAL 70 N 0.35 1.47 0.04 -1.35 2.07 -1.74 -2.41 116.25 114.68 1uc3 h VAL 70 Ca 0.05 -2.36 -0.00 0.00 0.82 0.00 0.00 66.70 65.21 1uc3 h VAL 70 Cb 0.69 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1uc3 h VAL 70 CO 0.05 0.69 -0.02 0.03 0.02 0.00 0.00 177.57 178.34 1uc3 h ARG 71 N 0.10 -0.05 -0.90 1.57 3.08 -0.81 -2.15 114.38 115.22 1uc3 h ARG 71 Ca -0.02 0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1uc3 h ARG 71 Cb 1.30 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.30 1uc3 h ARG 71 CO 0.11 0.55 0.58 2.35 -1.07 0.00 0.00 179.97 182.49 1uc3 h TRP 72 N -0.71 1.01 -0.38 3.04 -0.00 -0.84 -0.03 115.95 118.04 1uc3 h TRP 72 Ca -0.01 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 58.79 1uc3 h TRP 72 Cb 0.63 -0.33 -0.01 0.00 -0.00 0.00 0.00 29.16 29.44 1uc3 h TRP 72 CO 0.14 0.50 -0.27 1.25 -0.00 0.00 0.00 178.44 180.06 1uc3 h HIS 73 N 0.97 0.91 -0.36 2.65 2.76 -1.46 -2.77 115.15 117.85 1uc3 h HIS 73 Ca 0.40 -0.23 -0.13 0.00 -2.20 0.00 0.00 60.37 58.22 1uc3 h HIS 73 Cb 0.29 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1uc3 h HIS 73 CO -0.00 0.97 -0.28 0.00 -1.30 0.00 0.00 177.93 177.33 1uc3 h ALA 74 N 1.01 0.52 -0.47 5.26 0.00 -0.55 -2.09 119.26 122.95 1uc3 h ALA 74 Ca 0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1uc3 h ALA 74 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1uc3 h ALA 74 CO 0.07 0.54 0.15 0.93 0.00 0.00 0.00 179.25 180.93 1uc3 h GLU 75 N 0.62 0.69 0.01 0.00 5.08 -1.01 -1.34 114.58 118.63 1uc3 h GLU 75 Ca 0.07 -0.11 -0.27 0.00 -1.00 0.00 0.00 59.36 58.05 1uc3 h GLU 75 Cb 0.85 -0.12 0.02 0.00 0.50 0.00 0.00 28.75 30.00 1uc3 h GLU 75 CO 0.07 0.60 -1.06 0.00 -1.00 0.00 0.00 179.01 177.62 1uc3 h ARG 76 N 0.68 0.69 -0.61 2.33 3.08 -1.43 -1.95 114.38 117.18 1uc3 h ARG 76 Ca 0.16 -0.76 -0.01 0.00 0.07 0.00 0.00 59.98 59.43 1uc3 h ARG 76 Cb 0.20 0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.44 1uc3 h ARG 76 CO -0.01 1.33 0.34 0.82 -1.07 0.00 0.00 179.97 181.38 1uc3 h ILE 77 N 0.38 1.19 -0.42 2.04 2.04 -1.16 -1.61 117.51 119.98 1uc3 h ILE 77 Ca -0.14 -0.48 -0.12 0.00 1.00 0.00 0.00 64.86 65.12 1uc3 h ILE 77 Cb 1.72 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1uc3 h ILE 77 CO 0.21 0.21 -0.20 -0.29 0.00 0.00 0.00 178.15 178.08 1uc3 h ILE 78 N 0.83 1.28 0.00 -0.67 6.09 -1.27 -2.94 117.51 120.83 1uc3 h ILE 78 Ca 0.22 -1.34 -0.06 0.00 -1.37 0.00 0.00 64.86 62.30 1uc3 h ILE 78 Cb 0.04 1.25 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 1uc3 h ILE 78 CO -0.04 0.45 -0.30 0.78 -3.07 0.00 0.00 178.15 175.98 1uc3 h ASN 79 N 0.69 0.00 0.36 2.19 2.35 -1.21 -0.71 115.58 119.24 1uc3 h ASN 79 Ca 0.09 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1uc3 h ASN 79 Cb 0.76 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1uc3 h ASN 79 CO 0.06 0.30 -0.29 0.00 -1.65 0.00 0.00 177.43 175.85 1uc3 h ALA 80 N 1.70 1.42 0.10 -0.83 0.00 -1.11 0.08 119.26 120.61 1uc3 h ALA 80 Ca -0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 54.91 54.36 1uc3 h ALA 80 Cb 0.61 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1uc3 h ALA 80 CO 0.04 0.36 -1.40 0.28 0.00 0.00 0.00 179.25 178.53 1uc3 h VAL 81 N 0.00 1.30 -0.19 0.00 2.07 -1.17 -3.04 116.25 115.22 1uc3 h VAL 81 Ca -0.00 -2.93 -0.00 0.00 0.82 0.00 0.00 66.70 64.58 1uc3 h VAL 81 Cb 0.54 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1uc3 h VAL 81 CO 0.04 0.84 0.10 -1.13 0.02 0.00 0.00 177.57 177.44 1uc3 h ASN 82 N 0.06 0.24 -0.42 0.57 -1.24 -0.69 -0.69 115.58 113.42 1uc3 h ASN 82 Ca -0.19 -0.09 0.08 0.00 0.71 0.00 0.00 56.30 56.81 1uc3 h ASN 82 Cb 1.98 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 40.95 1uc3 h ASN 82 CO 0.17 0.26 0.29 0.44 -1.29 0.00 0.00 177.43 177.29 1uc3 h ASP 83 N 0.20 0.18 0.21 1.15 3.32 -1.06 0.86 116.42 121.27 1uc3 h ASP 83 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1uc3 h ASP 83 Cb 0.07 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1uc3 h ASP 83 CO -0.01 0.11 -0.10 0.00 -1.72 0.00 0.00 179.24 177.52 1uc3 h ALA 84 N 1.79 -0.28 -0.92 3.45 0.00 -1.16 -2.93 119.26 119.21 1uc3 h ALA 84 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uc3 h ALA 84 Cb 0.50 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1uc3 h ALA 84 CO -0.03 -0.43 0.55 -0.39 0.00 0.00 0.00 179.25 178.95 1uc3 h VAL 85 N -0.74 1.25 0.00 0.00 -1.51 -0.46 -0.25 116.25 114.55 1uc3 h VAL 85 Ca -0.03 -0.57 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 1uc3 h VAL 85 Cb 0.50 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.62 1uc3 h VAL 85 CO 0.05 0.27 0.00 0.00 -1.23 0.00 0.00 177.57 176.66 1uc3 n ALA 86 N -2.40 2.15 -2.27 5.19 0.00 0.23 -2.71 120.51 120.70 1uc3 n ALA 86 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.50 1uc3 n ALA 86 Cb 0.07 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.36 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 -0.87 1.17 0.23 0.00 7.64 -0.12 -4.80 113.62 116.86 1uc3 n SER 87 Ca 0.10 -2.47 0.16 0.00 1.01 0.00 0.00 58.87 57.67 1uc3 n SER 87 Cb 0.05 -0.36 0.65 0.00 -1.01 0.00 0.00 64.21 63.54 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 1.00 0.00 -0.66 1.43 2.86 -1.30 -2.43 114.93 115.83 1uc3 h MET 88 Ca -0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1uc3 h MET 88 Cb 1.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.34 1uc3 h MET 88 CO 0.07 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.79 1uc3 n ASP 89 N -2.80 3.90 -3.18 1.22 8.00 -1.26 -4.56 116.55 117.86 1uc3 n ASP 89 Ca 0.01 -2.48 -0.13 0.00 0.71 0.00 0.00 54.79 52.90 1uc3 n ASP 89 Cb 0.27 -0.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.76 1uc3 n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uc3 s ASP 90 N -0.66 0.12 0.41 -2.24 -1.08 -0.91 -5.01 116.67 107.29 1uc3 s ASP 90 Ca 0.37 -1.83 0.12 0.00 -0.52 0.00 0.00 52.55 50.69 1uc3 s ASP 90 Cb 0.26 0.92 0.87 0.00 -1.46 0.00 0.00 42.92 43.51 1uc3 s ASP 90 CO 0.14 -0.17 1.93 0.74 0.52 0.00 0.00 175.17 178.34 1uc3 h THR 91 N 4.93 1.17 -0.21 1.71 2.02 -1.80 -1.19 112.91 119.54 1uc3 h THR 91 Ca 0.10 -0.81 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 1uc3 h THR 91 Cb 1.06 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1uc3 h THR 91 CO 0.17 0.24 -0.49 -0.08 0.37 0.00 0.00 175.52 175.73 1uc3 h GLU 92 N 0.07 0.56 -0.02 6.66 4.81 -1.95 -1.87 114.58 122.84 1uc3 h GLU 92 Ca 0.01 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 1uc3 h GLU 92 Cb 0.41 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1uc3 h GLU 92 CO 0.03 0.92 -0.22 -0.22 -0.73 0.00 0.00 179.01 178.80 1uc3 h LYS 93 N 0.45 0.18 0.11 1.92 3.64 -1.83 -3.02 116.57 118.02 1uc3 h LYS 93 Ca 0.02 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1uc3 h LYS 93 Cb 1.01 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 1uc3 h LYS 93 CO 0.09 0.86 -0.22 1.98 -2.27 0.00 0.00 179.45 179.89 1uc3 h MET 94 N -0.44 -0.40 -0.88 1.90 4.05 -1.25 -2.88 114.93 115.04 1uc3 h MET 94 Ca -0.02 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.52 1uc3 h MET 94 Cb 0.92 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.74 1uc3 h MET 94 CO 0.04 -0.27 0.53 0.77 0.23 0.00 0.00 176.91 178.21 1uc3 h SER 95 N -0.42 0.78 -0.50 1.39 0.02 -1.45 -2.24 113.55 111.13 1uc3 h SER 95 Ca 0.03 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1uc3 h SER 95 Cb 0.44 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1uc3 h SER 95 CO -0.13 0.46 0.31 0.24 -1.14 0.00 0.00 176.83 176.57 1uc3 h MET 96 N 0.89 0.62 -0.21 3.45 2.07 -1.37 0.15 114.93 120.53 1uc3 h MET 96 Ca 0.41 -0.04 -0.07 0.00 -2.07 0.00 0.00 59.70 57.94 1uc3 h MET 96 Cb 0.33 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1uc3 h MET 96 CO -0.23 0.41 -0.13 0.87 1.07 0.00 0.00 176.91 178.90 1uc3 h LYS 97 N 0.63 0.45 0.00 1.72 1.57 -1.37 -1.71 116.57 117.86 1uc3 h LYS 97 Ca 0.19 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1uc3 h LYS 97 Cb -0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1uc3 h LYS 97 CO -0.07 0.75 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.37 1uc3 h LEU 98 N 0.15 0.00 -0.15 2.94 3.38 -1.28 0.45 115.31 120.80 1uc3 h LEU 98 Ca 0.04 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 1uc3 h LEU 98 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1uc3 h LEU 98 CO 0.04 0.13 -0.98 0.03 0.09 0.00 0.00 178.44 177.74 1uc3 h ARG 99 N 0.00 0.29 0.15 1.13 3.08 -0.55 0.12 114.38 118.60 1uc3 h ARG 99 Ca -0.00 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1uc3 h ARG 99 Cb 0.53 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1uc3 h ARG 99 CO 0.02 1.07 -0.07 0.22 -1.07 0.00 0.00 179.97 180.13 1uc3 h ASP 100 N 0.14 -0.17 0.01 7.04 3.58 -0.24 -2.00 116.42 124.80 1uc3 h ASP 100 Ca -0.07 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 1uc3 h ASP 100 Cb 1.63 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 1uc3 h ASP 100 CO 0.16 0.20 -0.01 0.25 -2.88 0.00 0.00 179.24 176.96 1uc3 h LEU 101 N -0.57 0.00 -0.38 2.28 5.85 -0.15 -0.40 115.31 121.94 1uc3 h LEU 101 Ca -0.02 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1uc3 h LEU 101 Cb 0.44 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1uc3 h LEU 101 CO 0.03 0.01 0.06 -1.28 -0.34 0.00 0.00 178.44 176.92 1uc3 h SER 102 N 0.00 0.62 -0.48 1.25 0.87 -0.68 -2.78 113.55 112.35 1uc3 h SER 102 Ca -0.00 -0.27 0.07 0.00 -1.23 0.00 0.00 61.79 60.36 1uc3 h SER 102 Cb 0.02 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.76 1uc3 h SER 102 CO 0.00 0.73 0.16 1.23 -0.53 0.00 0.00 176.83 178.42 1uc3 h GLY 103 N 0.48 0.62 0.87 5.77 0.00 -0.32 -0.91 103.07 109.59 1uc3 h GLY 103 Ca 0.12 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1uc3 h GLY 103 CO 0.01 0.00 0.50 0.50 0.00 0.00 0.00 176.54 177.55 1uc3 h LYS 104 N 0.32 0.94 -0.15 4.80 1.57 -1.36 0.75 116.57 123.44 1uc3 h LYS 104 Ca 0.23 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1uc3 h LYS 104 Cb 0.25 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1uc3 h LYS 104 CO -0.24 0.62 0.01 0.45 -0.57 0.00 0.00 179.45 179.71 1uc3 h HIS 105 N 0.97 0.29 -0.05 -1.35 3.86 -1.14 1.00 115.15 118.73 1uc3 h HIS 105 Ca 0.31 -0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1uc3 h HIS 105 Cb 0.02 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1uc3 h HIS 105 CO -0.03 0.48 -0.23 0.00 0.86 0.00 0.00 177.93 179.01 1uc3 h ALA 106 N 0.78 0.10 0.23 2.45 0.00 -0.95 0.72 119.26 122.58 1uc3 h ALA 106 Ca 0.04 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 1uc3 h ALA 106 Cb 0.36 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.17 1uc3 h ALA 106 CO 0.01 0.09 -1.40 0.87 0.00 0.00 0.00 179.25 178.81 1uc3 h LYS 107 N -0.30 0.48 0.00 0.00 1.57 0.44 -3.37 116.57 115.39 1uc3 h LYS 107 Ca -0.01 -0.82 -0.08 0.00 -1.87 0.00 0.00 60.65 57.86 1uc3 h LYS 107 Cb 0.88 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1uc3 h LYS 107 CO 0.05 1.39 -1.03 0.43 -0.57 0.00 0.00 179.45 179.72 1uc3 n SER 108 N -3.78 1.56 0.24 0.86 7.64 0.47 -4.67 113.62 115.93 1uc3 n SER 108 Ca -0.18 0.25 0.16 0.00 1.01 0.00 0.00 58.87 60.12 1uc3 n SER 108 Cb 1.05 -0.59 0.65 0.00 -1.01 0.00 0.00 64.21 64.31 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 -0.66 0.00 -6.68 1.43 0.04 0.85 -3.47 116.94 108.46 1uc3 h PHE 109 Ca -0.13 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.11 1uc3 h PHE 109 Cb 0.86 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.93 1uc3 h PHE 109 CO -0.22 0.00 -0.92 1.04 -0.60 0.00 0.00 178.31 177.60 1uc3 n GLN 110 N -2.86 -2.25 -3.58 1.51 6.02 0.25 -4.96 117.38 111.50 1uc3 n GLN 110 Ca 0.01 0.30 -0.32 0.00 -0.01 0.00 0.00 57.00 56.97 1uc3 n GLN 110 Cb 0.28 -4.09 -0.05 0.00 1.02 0.00 0.00 30.24 27.40 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 -4.02 5.09 0.05 5.09 -7.23 -0.86 -5.02 120.40 113.49 1uc3 s VAL 111 Ca 0.07 0.24 -0.31 0.00 -1.81 0.00 0.00 61.98 60.17 1uc3 s VAL 111 Cb -0.03 -3.63 -0.07 0.00 0.56 0.00 0.00 36.38 33.21 1uc3 s VAL 111 CO 0.92 0.06 1.57 -0.62 -0.31 0.00 0.00 175.10 176.73 1uc3 s ASP 112 N -2.27 6.68 0.00 4.85 -1.08 -1.26 -4.76 116.67 118.83 1uc3 s ASP 112 Ca 0.41 2.37 0.05 0.00 -0.52 0.00 0.00 52.55 54.86 1uc3 s ASP 112 Cb -0.12 -2.56 0.22 0.00 -1.46 0.00 0.00 42.92 38.99 1uc3 s ASP 112 CO 0.22 -0.83 1.08 -0.81 0.52 0.00 0.00 175.17 175.36 1uc3 n PRO 113 N 5.46 0.03 0.00 4.34 -0.04 -1.26 -2.71 135.00 140.81 1uc3 n PRO 113 Ca 0.15 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 1uc3 n PRO 113 Cb 0.41 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.79 1uc3 n PRO 113 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uc3 n GLN 114 N -1.41 0.15 0.00 0.54 6.02 -1.26 -3.97 117.38 117.44 1uc3 n GLN 114 Ca 0.02 -0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.05 1uc3 n GLN 114 Cb 0.05 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.85 1uc3 n GLN 114 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1uc3 n TYR 115 N -1.37 0.00 0.11 1.08 4.01 -1.10 -4.39 117.16 115.51 1uc3 n TYR 115 Ca 0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.68 1uc3 n TYR 115 Cb 0.33 -0.09 -0.08 0.00 -0.31 0.00 0.00 39.34 39.19 1uc3 n TYR 115 CO 0.00 0.00 0.00 0.74 -0.46 0.00 0.00 176.86 177.14 1uc3 h PHE 116 N 0.22 -0.19 0.00 -0.72 0.04 -1.77 -1.79 116.94 112.73 1uc3 h PHE 116 Ca 0.00 -0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1uc3 h PHE 116 Cb 0.52 0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 1uc3 h PHE 116 CO 0.00 -0.10 -0.08 1.57 -0.60 0.00 0.00 178.31 179.10 1uc3 h LYS 117 N -0.23 0.00 0.01 1.51 2.10 -1.84 -0.76 116.57 117.36 1uc3 h LYS 117 Ca -0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1uc3 h LYS 117 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1uc3 h LYS 117 CO 0.03 0.08 -0.00 0.28 -2.00 0.00 0.00 179.45 177.84 1uc3 h VAL 118 N 0.00 1.35 -0.30 0.07 2.07 -1.65 -2.22 116.25 115.57 1uc3 h VAL 118 Ca -0.00 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 1uc3 h VAL 118 Cb 0.15 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1uc3 h VAL 118 CO 0.01 0.28 -0.11 0.25 0.02 0.00 0.00 177.57 178.02 1uc3 h LEU 119 N -0.48 0.48 -0.77 2.57 5.85 -1.08 -2.58 115.31 119.30 1uc3 h LEU 119 Ca -0.00 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1uc3 h LEU 119 Cb 0.47 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1uc3 h LEU 119 CO 0.00 0.62 0.50 0.00 -0.34 0.00 0.00 178.44 179.22 1uc3 h ALA 120 N 1.43 0.98 -0.66 1.25 0.00 -1.07 -1.51 119.26 119.68 1uc3 h ALA 120 Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1uc3 h ALA 120 Cb 0.47 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1uc3 h ALA 120 CO 0.03 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.76 1uc3 h ALA 121 N 1.30 0.99 0.00 0.00 0.00 -1.03 0.27 119.26 120.78 1uc3 h ALA 121 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1uc3 h ALA 121 Cb -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1uc3 h ALA 121 CO -0.08 0.65 0.00 0.28 0.00 0.00 0.00 179.25 180.10 1uc3 n VAL 122 N -4.23 1.09 -0.08 0.00 0.31 -0.65 -0.55 118.33 114.22 1uc3 n VAL 122 Ca 0.05 0.51 -0.20 0.00 -0.01 0.00 0.00 64.34 64.68 1uc3 n VAL 122 Cb 0.27 -1.47 -0.12 0.00 -0.91 0.00 0.00 33.84 31.61 1uc3 n VAL 122 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1uc3 n ILE 123 N -2.10 1.59 -0.22 2.52 5.41 0.09 -3.86 119.36 122.79 1uc3 n ILE 123 Ca 0.00 -0.56 -0.08 0.00 1.00 0.00 0.00 62.75 63.11 1uc3 n ILE 123 Cb 0.10 -1.59 0.03 0.00 -0.71 0.00 0.00 39.64 37.47 1uc3 n ILE 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1uc3 h ALA 124 N -0.07 0.81 -0.84 -1.39 0.00 0.16 0.68 119.26 118.62 1uc3 h ALA 124 Ca -0.53 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 1uc3 h ALA 124 Cb 1.90 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1uc3 h ALA 124 CO -0.06 0.53 0.45 0.22 0.00 0.00 0.00 179.25 180.39 1uc3 h ASP 125 N 0.91 1.05 0.23 0.00 3.58 -1.03 0.14 116.42 121.30 1uc3 h ASP 125 Ca 0.19 -0.10 -0.31 0.00 0.42 0.00 0.00 57.03 57.24 1uc3 h ASP 125 Cb 0.37 -0.27 0.03 0.00 1.72 0.00 0.00 39.33 41.19 1uc3 h ASP 125 CO 0.00 0.85 -1.38 0.74 -2.88 0.00 0.00 179.24 176.58 1uc3 h THR 126 N 1.17 1.29 -0.03 2.25 2.02 -1.62 -2.95 112.91 115.04 1uc3 h THR 126 Ca 0.29 -2.65 -0.01 0.00 0.77 0.00 0.00 66.41 64.82 1uc3 h THR 126 Cb 0.04 3.05 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 1uc3 h THR 126 CO -0.05 0.79 -0.01 0.58 0.37 0.00 0.00 175.52 177.21 1uc3 h VAL 127 N 0.03 1.30 -0.34 3.16 2.07 -0.80 -3.44 116.25 118.24 1uc3 h VAL 127 Ca -0.25 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1uc3 h VAL 127 Cb 2.06 1.86 -0.15 0.00 -1.52 0.00 0.00 31.29 33.54 1uc3 h VAL 127 CO 0.24 0.25 -0.22 0.00 0.02 0.00 0.00 177.57 177.86 1uc3 n ALA 128 N -2.30 -3.14 -1.57 1.67 0.00 -0.03 -4.76 120.51 110.38 1uc3 n ALA 128 Ca -0.08 -0.35 -0.50 0.00 0.00 0.00 0.00 53.44 52.51 1uc3 n ALA 128 Cb 0.22 -2.72 -0.05 0.00 0.00 0.00 0.00 19.45 16.90 1uc3 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uc3 n ALA 129 N 2.44 -1.06 0.00 0.00 0.00 -0.77 -1.54 120.51 119.58 1uc3 n ALA 129 Ca 0.11 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1uc3 n ALA 129 Cb 0.64 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1uc3 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uc3 n GLY 130 N 2.13 2.20 3.61 0.00 0.00 -1.26 -5.01 105.19 106.87 1uc3 n GLY 130 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1uc3 n GLY 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uc3 s ASP 131 N -2.29 6.16 0.44 1.61 2.15 -0.59 -4.84 116.67 119.30 1uc3 s ASP 131 Ca 0.00 1.42 0.17 0.00 0.43 0.00 0.00 52.55 54.57 1uc3 s ASP 131 Cb 0.00 -2.53 1.00 0.00 -0.30 0.00 0.00 42.92 41.09 1uc3 s ASP 131 CO 0.00 -1.47 1.94 0.00 -0.17 0.00 0.00 175.17 175.47 1uc3 h ALA 132 N 11.67 1.46 -0.34 3.66 0.00 -1.95 -1.97 119.26 131.79 1uc3 h ALA 132 Ca -0.33 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 1uc3 h ALA 132 Cb 1.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1uc3 h ALA 132 CO 1.02 0.30 -0.27 0.78 0.00 0.00 0.00 179.25 181.08 1uc3 h GLY 133 N 0.89 0.86 1.02 0.00 0.00 -1.94 -1.97 103.07 101.93 1uc3 h GLY 133 Ca -0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 47.33 46.34 1uc3 h GLY 133 CO 0.03 0.77 -0.39 -2.75 0.00 0.00 0.00 176.54 174.20 1uc3 h PHE 134 N 0.57 0.92 0.00 5.60 3.57 -1.85 -2.13 116.94 123.62 1uc3 h PHE 134 Ca 0.06 -0.30 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 1uc3 h PHE 134 Cb 0.84 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1uc3 h PHE 134 CO 0.07 1.08 -0.05 0.93 -2.23 0.00 0.00 178.31 178.11 1uc3 h GLU 135 N 0.49 0.00 -0.00 1.11 5.08 -1.38 -0.42 114.58 119.46 1uc3 h GLU 135 Ca 0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.16 1uc3 h GLU 135 Cb 0.98 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.24 1uc3 h GLU 135 CO 0.09 0.05 -0.95 -0.22 -1.00 0.00 0.00 179.01 176.98 1uc3 h LYS 136 N 0.00 0.46 -0.26 2.33 3.64 -0.87 -1.07 116.57 120.80 1uc3 h LYS 136 Ca -0.00 -0.49 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 1uc3 h LYS 136 Cb 0.28 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1uc3 h LYS 136 CO 0.01 1.14 -0.02 1.25 -2.27 0.00 0.00 179.45 179.56 1uc3 h LEU 137 N 0.26 0.46 -0.13 5.20 6.46 -0.56 -2.45 115.31 124.56 1uc3 h LEU 137 Ca -0.09 -0.33 0.01 0.00 -0.12 0.00 0.00 57.88 57.36 1uc3 h LEU 137 Cb 1.59 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.38 1uc3 h LEU 137 CO 0.17 0.68 0.03 0.24 -0.62 0.00 0.00 178.44 178.94 1uc3 h MET 138 N 0.23 0.08 -0.93 1.25 2.86 -1.12 -0.75 114.93 116.55 1uc3 h MET 138 Ca 0.07 -0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.89 1uc3 h MET 138 Cb 0.46 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.02 1uc3 h MET 138 CO 0.02 0.05 0.60 0.77 1.06 0.00 0.00 176.91 179.41 1uc3 h SER 139 N 0.08 0.56 -0.31 1.22 0.02 -1.10 0.34 113.55 114.36 1uc3 h SER 139 Ca 0.06 0.05 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1uc3 h SER 139 Cb 0.05 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1uc3 h SER 139 CO -0.07 0.24 -0.04 0.24 -1.14 0.00 0.00 176.83 176.05 1uc3 h MET 140 N 0.57 0.58 0.04 3.45 2.07 -0.74 -0.83 114.93 120.07 1uc3 h MET 140 Ca 0.49 -0.20 -0.00 0.00 -2.07 0.00 0.00 59.70 57.91 1uc3 h MET 140 Cb 0.99 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.68 1uc3 h MET 140 CO -0.23 0.74 -0.02 0.82 1.07 0.00 0.00 176.91 179.29 1uc3 h ILE 141 N 0.36 1.14 -0.97 -1.22 2.04 0.49 -1.95 117.51 117.40 1uc3 h ILE 141 Ca 0.08 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.41 1uc3 h ILE 141 Cb 0.51 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 1uc3 h ILE 141 CO 0.02 0.15 0.63 0.00 0.00 0.00 0.00 178.15 178.95 1uc3 h ILE 143 N 1.16 1.25 -0.26 0.00 2.04 -1.03 -2.88 117.51 117.79 1uc3 h ILE 143 Ca 0.40 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1uc3 h ILE 143 Cb 0.12 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1uc3 h ILE 143 CO -0.15 0.34 -0.17 -0.07 0.00 0.00 0.00 178.15 178.10 1uc3 h LEU 144 N 1.02 0.60 0.00 1.44 3.38 -0.43 -2.83 115.31 118.49 1uc3 h LEU 144 Ca 0.23 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1uc3 h LEU 144 Cb 0.28 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1uc3 h LEU 144 CO -0.01 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.60 1uc3 n LEU 145 N -4.42 0.00 -0.07 1.67 4.77 0.11 -0.61 117.00 118.46 1uc3 n LEU 145 Ca -0.04 0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 1uc3 n LEU 145 Cb 0.39 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1uc3 n LEU 145 CO 0.42 -0.03 0.13 0.54 -1.33 0.00 0.00 177.39 177.12 1uc3 n ARG 146 N -1.04 3.11 0.32 3.23 1.74 -1.10 -4.67 116.66 118.24 1uc3 n ARG 146 Ca 0.06 -0.32 0.19 0.00 -0.77 0.00 0.00 57.85 57.01 1uc3 n ARG 146 Cb 0.03 -0.84 1.07 0.00 -1.02 0.00 0.00 32.46 31.70 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 0.33 0.00 1.27 0.55 4.64 -0.63 -1.80 113.55 117.90 1uc3 h SER 147 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1uc3 h SER 147 Cb 0.11 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1uc3 h SER 147 CO 0.00 0.00 -0.76 0.00 -0.87 0.00 0.00 176.83 175.20 1uc3 h ALA 148 N 1.94 0.69 0.00 5.18 0.00 -1.83 -3.51 119.26 121.73 1uc3 h ALA 148 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1uc3 h ALA 148 Cb 0.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1uc3 h ALA 148 CO -0.00 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.29