#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 5.41 0.30 4.25 1.01 -1.26 -4.91 121.20 126.01 1uc3 s ILE 2 Ca 0.00 0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.95 1uc3 s ILE 2 Cb 0.00 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1uc3 s ILE 2 CO 0.00 0.47 0.25 0.68 0.00 0.00 0.00 174.94 176.34 1uc3 s VAL 3 N 0.12 3.87 -0.02 2.92 -7.23 -1.26 -4.98 120.40 113.81 1uc3 s VAL 3 Ca 0.10 -1.40 0.08 0.00 -1.81 0.00 0.00 61.98 58.95 1uc3 s VAL 3 Cb -0.11 -3.26 0.14 0.00 0.56 0.00 0.00 36.38 33.71 1uc3 s VAL 3 CO -0.00 -0.24 1.06 -0.90 -0.31 0.00 0.00 175.10 174.70 1uc3 n ASP 4 N -1.29 0.55 -3.84 4.85 5.68 -1.26 -4.35 116.55 116.89 1uc3 n ASP 4 Ca -0.04 -2.19 -0.10 0.00 -0.50 0.00 0.00 54.79 51.96 1uc3 n ASP 4 Cb 0.59 -0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 40.25 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 -1.52 -0.07 1.47 -1.12 1.04 -1.26 -4.20 113.70 108.04 1uc3 s SER 5 Ca 0.13 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1uc3 s SER 5 Cb 0.13 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1uc3 s SER 5 CO -0.04 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1uc3 n GLY 6 N -0.23 2.92 3.36 7.32 0.00 -1.26 -4.86 105.19 112.44 1uc3 n GLY 6 Ca -0.10 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.37 0.12 1.61 0.15 -1.26 -5.06 113.70 104.89 1uc3 s SER 7 Ca 0.00 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.63 1uc3 s SER 7 Cb 0.00 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1uc3 s SER 7 CO 0.00 -0.80 -0.04 0.68 1.20 0.00 0.00 173.24 174.28 1uc3 s VAL 8 N -3.10 0.67 0.62 4.45 -7.23 -1.26 -5.13 120.40 109.41 1uc3 s VAL 8 Ca -0.02 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 1uc3 s VAL 8 Cb 0.00 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.08 1uc3 s VAL 8 CO -0.07 -0.73 1.16 0.00 -0.31 0.00 0.00 175.10 175.15 1uc3 s ALA 9 N -3.65 2.50 0.73 1.32 0.00 -1.26 -4.98 121.76 116.43 1uc3 s ALA 9 Ca 0.16 0.82 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 1uc3 s ALA 9 Cb 0.06 -3.39 0.04 0.00 0.00 0.00 0.00 23.12 19.82 1uc3 s ALA 9 CO -0.02 -1.19 1.21 -2.30 0.00 0.00 0.00 175.76 173.46 1uc3 n PRO 10 N -1.89 0.59 -2.59 0.00 -0.02 -1.26 -4.94 135.00 124.90 1uc3 n PRO 10 Ca 0.12 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1uc3 n PRO 10 Cb 0.51 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.50 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 -4.81 4.46 0.61 2.45 1.43 -1.26 -5.04 118.68 116.53 1uc3 s LEU 11 Ca 0.77 1.94 -0.08 0.00 -1.03 0.00 0.00 54.13 55.73 1uc3 s LEU 11 Cb -0.33 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.29 1uc3 s LEU 11 CO 0.46 -0.22 0.95 -0.94 0.23 0.00 0.00 176.35 176.84 1uc3 s SER 12 N 0.23 5.72 0.38 2.29 1.04 -1.26 -4.89 113.70 117.20 1uc3 s SER 12 Ca 0.50 0.94 0.10 0.00 0.48 0.00 0.00 55.95 57.98 1uc3 s SER 12 Cb -0.27 -1.93 0.87 0.00 0.10 0.00 0.00 66.02 64.80 1uc3 s SER 12 CO 0.32 -1.05 1.91 0.00 0.98 0.00 0.00 173.24 175.40 1uc3 h ALA 13 N -0.27 1.88 -0.29 5.32 0.00 -2.00 -1.75 119.26 122.15 1uc3 h ALA 13 Ca -0.45 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1uc3 h ALA 13 Cb 1.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1uc3 h ALA 13 CO 0.62 -0.07 -0.49 0.00 0.00 0.00 0.00 179.25 179.31 1uc3 h ALA 14 N 1.62 0.46 -0.57 0.00 0.00 -1.99 -1.99 119.26 116.79 1uc3 h ALA 14 Ca 0.38 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1uc3 h ALA 14 Cb 0.62 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1uc3 h ALA 14 CO -0.15 0.63 0.09 0.93 0.00 0.00 0.00 179.25 180.75 1uc3 h GLU 15 N 0.63 0.92 -0.32 0.00 5.08 -1.75 -1.24 114.58 117.89 1uc3 h GLU 15 Ca 0.02 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1uc3 h GLU 15 Cb 1.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1uc3 h GLU 15 CO 0.11 0.85 0.10 0.87 -1.00 0.00 0.00 179.01 179.94 1uc3 h LYS 16 N 0.87 0.49 -0.84 2.33 1.57 -1.26 0.15 116.57 119.88 1uc3 h LYS 16 Ca 0.18 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 1uc3 h LYS 16 Cb 0.39 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1uc3 h LYS 16 CO 0.01 0.54 0.53 1.15 -0.57 0.00 0.00 179.45 181.11 1uc3 h THR 17 N 0.35 1.09 -0.27 -0.16 2.02 -1.05 -0.71 112.91 114.19 1uc3 h THR 17 Ca 0.10 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 1uc3 h THR 17 Cb 0.25 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 1uc3 h THR 17 CO -0.00 0.18 -0.05 0.50 0.37 0.00 0.00 175.52 176.52 1uc3 h LYS 18 N 1.00 0.51 -0.03 6.66 3.11 -0.95 -2.80 116.57 124.08 1uc3 h LYS 18 Ca 0.35 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 58.00 1uc3 h LYS 18 Cb 0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.28 1uc3 h LYS 18 CO -0.14 0.72 0.02 0.82 -2.81 0.00 0.00 179.45 178.05 1uc3 h ILE 19 N 0.27 1.01 -0.48 2.00 2.04 -0.55 -0.68 117.51 121.12 1uc3 h ILE 19 Ca 0.07 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1uc3 h ILE 19 Cb 0.52 0.98 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 1uc3 h ILE 19 CO 0.02 0.01 0.16 0.03 0.00 0.00 0.00 178.15 178.38 1uc3 h ARG 20 N 0.03 0.32 -0.39 2.37 3.08 -1.15 0.16 114.38 118.81 1uc3 h ARG 20 Ca 0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1uc3 h ARG 20 Cb -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1uc3 h ARG 20 CO -0.00 0.21 -0.10 0.66 -1.07 0.00 0.00 179.97 179.67 1uc3 h SER 21 N 0.33 0.76 -0.18 7.04 4.64 -1.31 -1.89 113.55 122.94 1uc3 h SER 21 Ca 0.23 -0.37 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1uc3 h SER 21 Cb 0.25 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1uc3 h SER 21 CO -0.24 0.95 -0.16 0.00 -0.87 0.00 0.00 176.83 176.51 1uc3 h ALA 22 N 0.83 1.11 -0.26 5.18 0.00 -0.77 -3.24 119.26 122.11 1uc3 h ALA 22 Ca 0.10 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 1uc3 h ALA 22 Cb 0.63 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1uc3 h ALA 22 CO 0.04 0.55 -0.43 2.35 0.00 0.00 0.00 179.25 181.76 1uc3 h TRP 23 N 0.53 0.92 -0.66 0.00 2.91 -0.58 -3.36 115.95 115.73 1uc3 h TRP 23 Ca 0.09 -0.32 0.13 0.00 1.13 0.00 0.00 58.89 59.91 1uc3 h TRP 23 Cb 0.58 -0.18 -0.13 0.00 -0.51 0.00 0.00 29.16 28.93 1uc3 h TRP 23 CO 0.02 1.11 -0.24 0.00 -1.03 0.00 0.00 178.44 178.30 1uc3 h ALA 24 N 0.66 0.26 -0.76 2.65 0.00 -1.37 -0.70 119.26 120.00 1uc3 h ALA 24 Ca 0.02 0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1uc3 h ALA 24 Cb 1.03 0.63 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 1uc3 h ALA 24 CO 0.10 -0.52 0.50 -1.35 0.00 0.00 0.00 179.25 177.98 1uc3 h PRO 25 N -0.07 0.91 -0.32 0.00 0.11 -1.74 -2.42 132.00 128.48 1uc3 h PRO 25 Ca 0.29 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.19 1uc3 h PRO 25 Cb 0.53 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1uc3 h PRO 25 CO -0.70 0.60 -0.44 0.28 -0.21 0.00 0.00 178.00 177.53 1uc3 h VAL 26 N 0.93 1.28 -3.51 3.15 2.07 -1.34 -3.39 116.25 115.44 1uc3 h VAL 26 Ca 0.30 -1.62 -0.46 0.00 0.82 0.00 0.00 66.70 65.74 1uc3 h VAL 26 Cb 0.04 1.50 0.07 0.00 -1.52 0.00 0.00 31.29 31.38 1uc3 h VAL 26 CO -0.09 0.53 0.16 -0.47 0.02 0.00 0.00 177.57 177.73 1uc3 s TYR 27 N -4.27 3.02 0.00 1.57 6.14 -0.53 -2.83 117.35 120.45 1uc3 s TYR 27 Ca -0.10 0.43 0.00 0.00 0.64 0.00 0.00 57.07 58.04 1uc3 s TYR 27 Cb 0.11 -2.96 0.00 0.00 0.42 0.00 0.00 41.96 39.53 1uc3 s TYR 27 CO 0.87 -1.12 0.00 -1.13 0.64 0.00 0.00 175.55 174.81 1uc3 n SER 28 N -2.70 0.00 -0.38 4.32 3.41 -1.26 -4.39 113.62 112.61 1uc3 n SER 28 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1uc3 n SER 28 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1uc3 n SER 28 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1uc3 n ASN 29 N 0.00 0.00 0.32 4.04 2.85 -1.24 -4.94 115.26 116.29 1uc3 n ASN 29 Ca 0.00 -1.65 0.19 0.00 -0.11 0.00 0.00 54.58 53.01 1uc3 n ASN 29 Cb 0.00 -0.13 1.02 0.00 1.24 0.00 0.00 39.78 41.92 1uc3 n ASN 29 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 1uc3 h TYR 30 N 0.00 0.00 -0.26 1.20 -0.00 -1.73 -1.01 116.97 115.17 1uc3 h TYR 30 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.56 1uc3 h TYR 30 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.99 1uc3 h TYR 30 CO 0.03 0.00 -0.53 0.93 -0.00 0.00 0.00 178.16 178.59 1uc3 h GLU 31 N 0.00 0.77 0.16 0.10 3.07 -1.92 -1.85 114.58 114.92 1uc3 h GLU 31 Ca 0.00 -0.48 -0.31 0.00 -0.50 0.00 0.00 59.36 58.07 1uc3 h GLU 31 Cb 0.25 0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1uc3 h GLU 31 CO 0.00 1.11 -1.55 1.15 -1.40 0.00 0.00 179.01 178.32 1uc3 h THR 32 N 0.60 1.03 0.53 1.13 2.02 -1.79 -3.30 112.91 113.12 1uc3 h THR 32 Ca 0.02 -2.48 -0.02 0.00 0.77 0.00 0.00 66.41 64.70 1uc3 h THR 32 Cb 1.12 2.79 -0.02 0.00 -1.74 0.00 0.00 68.15 70.30 1uc3 h THR 32 CO 0.11 0.79 -0.49 0.28 0.37 0.00 0.00 175.52 176.58 1uc3 h SER 33 N -0.08 -1.32 -0.38 4.18 0.02 -1.26 -0.88 113.55 113.84 1uc3 h SER 33 Ca -0.31 0.10 0.06 0.00 -0.84 0.00 0.00 61.79 60.80 1uc3 h SER 33 Cb 1.95 0.43 -0.06 0.00 0.14 0.00 0.00 62.40 64.86 1uc3 h SER 33 CO 0.14 -0.66 0.04 1.23 -1.14 0.00 0.00 176.83 176.43 1uc3 h GLY 34 N -1.01 0.41 0.60 -3.77 0.00 -1.53 -0.70 103.07 97.07 1uc3 h GLY 34 Ca -0.06 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1uc3 h GLY 34 CO -0.04 -0.06 -0.22 -2.08 0.00 0.00 0.00 176.54 174.14 1uc3 h VAL 35 N 0.15 0.50 -0.49 4.60 2.07 -1.60 0.32 116.25 121.80 1uc3 h VAL 35 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 1uc3 h VAL 35 Cb 0.24 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1uc3 h VAL 35 CO -0.27 0.00 0.13 0.44 0.02 0.00 0.00 177.57 177.89 1uc3 h ASP 36 N -0.40 0.08 0.65 0.57 3.32 -0.84 0.73 116.42 120.53 1uc3 h ASP 36 Ca 0.03 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1uc3 h ASP 36 Cb 0.43 0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.07 1uc3 h ASP 36 CO -0.14 0.07 -0.31 0.40 -1.72 0.00 0.00 179.24 177.54 1uc3 h ILE 37 N 0.28 0.36 -0.81 0.35 2.04 -0.64 0.18 117.51 119.29 1uc3 h ILE 37 Ca 0.24 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 66.12 1uc3 h ILE 37 Cb 0.29 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1uc3 h ILE 37 CO -0.28 0.00 0.52 0.25 0.00 0.00 0.00 178.15 178.64 1uc3 h LEU 38 N -0.88 0.87 -0.33 1.44 5.85 -0.02 0.10 115.31 122.35 1uc3 h LEU 38 Ca -0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1uc3 h LEU 38 Cb 0.67 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1uc3 h LEU 38 CO 0.15 0.61 0.17 0.58 -0.34 0.00 0.00 178.44 179.61 1uc3 h VAL 39 N 1.03 1.14 -0.84 1.05 2.07 0.63 0.37 116.25 121.71 1uc3 h VAL 39 Ca 0.31 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1uc3 h VAL 39 Cb -0.03 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1uc3 h VAL 39 CO -0.10 0.14 0.43 0.50 0.02 0.00 0.00 177.57 178.56 1uc3 h LYS 40 N 0.40 1.19 0.37 1.57 3.64 -0.10 -0.23 116.57 123.40 1uc3 h LYS 40 Ca 0.11 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1uc3 h LYS 40 Cb 0.08 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1uc3 h LYS 40 CO -0.02 0.89 -0.18 0.35 -2.27 0.00 0.00 179.45 178.23 1uc3 h PHE 41 N 1.18 -0.46 -0.14 1.91 3.57 -0.33 -2.75 116.94 119.92 1uc3 h PHE 41 Ca 0.29 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.83 1uc3 h PHE 41 Cb 0.08 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 1uc3 h PHE 41 CO 0.01 -0.14 -0.23 0.35 -2.23 0.00 0.00 178.31 176.06 1uc3 h PHE 42 N -0.78 -0.62 0.00 0.41 3.57 -0.11 -2.48 116.94 116.93 1uc3 h PHE 42 Ca -0.05 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1uc3 h PHE 42 Cb 0.52 0.29 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 1uc3 h PHE 42 CO 0.01 -0.31 -0.07 1.79 -2.23 0.00 0.00 178.31 177.49 1uc3 h THR 43 N -0.29 0.27 -0.32 4.41 1.35 -1.11 -3.03 112.91 114.18 1uc3 h THR 43 Ca 0.10 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1uc3 h THR 43 Cb 0.44 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1uc3 h THR 43 CO -0.31 0.07 0.00 -1.54 -0.25 0.00 0.00 175.52 173.49 1uc3 n SER 44 N -3.31 3.06 -3.58 5.36 3.41 -1.04 -4.67 113.62 112.86 1uc3 n SER 44 Ca -0.01 -1.89 -0.28 0.00 -0.26 0.00 0.00 58.87 56.44 1uc3 n SER 44 Cb 0.27 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 63.90 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 -1.23 1.18 0.11 6.66 2.01 -0.96 -5.03 115.64 118.39 1uc3 s THR 45 Ca 0.30 -3.08 -0.29 0.00 0.31 0.00 0.00 61.69 58.93 1uc3 s THR 45 Cb 0.18 -1.80 -0.10 0.00 0.01 0.00 0.00 72.50 70.78 1uc3 s THR 45 CO 0.24 -1.12 1.48 -0.65 -0.69 0.00 0.00 174.62 173.88 1uc3 h PRO 46 N 5.74 -0.38 -0.34 4.92 0.11 -1.83 -2.11 132.00 138.11 1uc3 h PRO 46 Ca 0.20 0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.43 1uc3 h PRO 46 Cb 0.87 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1uc3 h PRO 46 CO 0.48 -0.25 0.46 0.00 -0.21 0.00 0.00 178.00 178.47 1uc3 h ALA 47 N -0.26 1.98 0.00 -0.75 0.00 -1.95 0.03 119.26 118.30 1uc3 h ALA 47 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1uc3 h ALA 47 Cb 0.54 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1uc3 h ALA 47 CO -0.49 -0.63 -0.07 0.00 0.00 0.00 0.00 179.25 178.05 1uc3 h ALA 48 N 1.40 0.96 -0.50 0.00 0.00 -1.74 -3.32 119.26 116.06 1uc3 h ALA 48 Ca 0.16 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1uc3 h ALA 48 Cb 1.07 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1uc3 h ALA 48 CO -0.00 0.09 0.33 1.96 0.00 0.00 0.00 179.25 181.63 1uc3 h GLN 49 N 0.00 0.65 0.00 0.00 4.20 -0.99 -2.21 115.11 116.76 1uc3 h GLN 49 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1uc3 h GLN 49 Cb 0.96 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1uc3 h GLN 49 CO 0.01 0.43 0.00 -0.85 -0.67 0.00 0.00 178.83 177.75 1uc3 n GLU 50 N -4.46 0.01 -0.00 1.46 0.28 -1.25 -1.75 120.64 114.92 1uc3 n GLU 50 Ca 0.05 0.34 0.15 0.00 -0.16 0.00 0.00 57.16 57.53 1uc3 n GLU 50 Cb 0.06 -1.52 0.75 0.00 1.43 0.00 0.00 31.44 32.15 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 -1.55 0.01 -3.70 -1.84 3.72 -0.83 -4.28 117.46 109.00 1uc3 n PHE 51 Ca 0.02 -0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.14 1uc3 n PHE 51 Cb 0.12 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.55 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 -0.50 3.26 -0.31 1.38 3.01 -0.72 -4.95 117.46 118.63 1uc3 n PHE 52 Ca 0.21 -4.22 0.26 0.00 1.01 0.00 0.00 57.45 54.71 1uc3 n PHE 52 Cb 0.21 -0.58 0.58 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 4.90 0.26 0.00 -1.08 0.11 -1.81 0.22 132.00 134.60 1uc3 h PRO 53 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1uc3 h PRO 53 Cb 0.72 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1uc3 h PRO 53 CO 0.75 0.17 0.00 1.63 -0.21 0.00 0.00 178.00 180.35 1uc3 n LYS 54 N -4.49 0.07 0.00 1.05 5.02 -1.26 -2.62 118.16 115.93 1uc3 n LYS 54 Ca 0.24 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.74 1uc3 n LYS 54 Cb 0.96 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.51 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 -1.45 0.00 -1.65 2.13 3.01 0.76 -4.91 117.46 115.35 1uc3 n PHE 55 Ca 0.06 0.00 -0.65 0.00 1.01 0.00 0.00 57.45 57.88 1uc3 n PHE 55 Cb 0.23 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.60 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 0.52 0.18 0.00 -1.08 4.81 -1.08 -1.09 118.16 120.42 1uc3 n LYS 56 Ca 0.09 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1uc3 n LYS 56 Cb 0.39 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 33.83 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 4.70 1.95 3.49 3.14 0.00 -1.26 -5.02 105.19 112.18 1uc3 n GLY 57 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.74 3.17 -0.19 1.61 -1.94 -0.25 -4.86 119.30 116.10 1uc3 s MET 58 Ca 0.00 -0.61 0.16 0.00 -1.71 0.00 0.00 55.69 53.53 1uc3 s MET 58 Cb 0.00 -4.18 -0.24 0.00 2.01 0.00 0.00 34.83 32.42 1uc3 s MET 58 CO 0.00 -1.81 0.10 0.25 -0.01 0.00 0.00 175.02 173.55 1uc3 n THR 59 N 6.06 1.42 -3.12 2.05 -2.24 -1.26 -4.88 114.28 112.31 1uc3 n THR 59 Ca -0.01 -0.83 -0.36 0.00 -2.27 0.00 0.00 64.05 60.58 1uc3 n THR 59 Cb 0.46 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.02 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 -5.65 7.05 0.21 3.42 1.04 -1.26 -4.88 113.70 113.62 1uc3 s SER 60 Ca -0.12 1.39 -0.09 0.00 0.48 0.00 0.00 55.95 57.61 1uc3 s SER 60 Cb 0.06 -2.41 0.24 0.00 0.10 0.00 0.00 66.02 64.01 1uc3 s SER 60 CO 0.81 0.05 1.82 0.00 0.98 0.00 0.00 173.24 176.90 1uc3 h ALA 61 N 3.50 0.92 -0.84 5.32 0.00 -1.94 -1.27 119.26 124.95 1uc3 h ALA 61 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1uc3 h ALA 61 Cb 1.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1uc3 h ALA 61 CO 0.65 0.10 0.53 -0.44 0.00 0.00 0.00 179.25 180.09 1uc3 h ASP 62 N 0.74 0.99 0.34 0.00 5.19 -1.99 0.33 116.42 122.02 1uc3 h ASP 62 Ca 0.30 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.65 1uc3 h ASP 62 Cb 0.15 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1uc3 h ASP 62 CO -0.16 0.75 -0.16 1.56 -3.12 0.00 0.00 179.24 178.10 1uc3 h GLN 63 N 1.16 -0.44 -0.72 3.56 4.20 -1.74 -3.02 115.11 118.11 1uc3 h GLN 63 Ca 0.31 0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.17 1uc3 h GLN 63 Cb -0.08 0.10 -0.09 0.00 0.30 0.00 0.00 27.48 27.71 1uc3 h GLN 63 CO -0.06 -0.16 0.30 -0.07 -0.67 0.00 0.00 178.83 178.17 1uc3 h LEU 64 N -0.69 0.31 -1.37 1.46 3.38 -0.82 -2.11 115.31 115.46 1uc3 h LEU 64 Ca -0.05 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1uc3 h LEU 64 Cb 0.48 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1uc3 h LEU 64 CO 0.08 0.15 -0.31 0.11 0.09 0.00 0.00 178.44 178.55 1uc3 h LYS 65 N 0.47 0.01 0.00 1.13 1.57 -0.95 -2.53 116.57 116.27 1uc3 h LYS 65 Ca 0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1uc3 h LYS 65 Cb 0.53 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1uc3 h LYS 65 CO -0.36 0.32 -0.24 1.63 -0.57 0.00 0.00 179.45 180.23 1uc3 n LYS 66 N -4.17 0.06 -2.63 3.15 5.02 -0.83 -4.81 118.16 113.96 1uc3 n LYS 66 Ca -0.02 0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 1uc3 n LYS 66 Cb 0.35 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 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 -3.28 7.02 0.55 4.39 0.15 -0.95 -4.90 113.70 116.68 1uc3 s SER 67 Ca 0.12 1.30 0.23 0.00 0.70 0.00 0.00 55.95 58.30 1uc3 s SER 67 Cb 0.17 -2.54 1.50 0.00 -1.71 0.00 0.00 66.02 63.44 1uc3 s SER 67 CO 0.62 -0.75 2.15 0.00 1.20 0.00 0.00 173.24 176.45 1uc3 h ALA 68 N 7.76 1.91 -0.21 5.45 0.00 -1.87 -1.50 119.26 130.80 1uc3 h ALA 68 Ca -0.20 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1uc3 h ALA 68 Cb 1.06 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1uc3 h ALA 68 CO 1.00 -0.14 -0.26 -0.44 0.00 0.00 0.00 179.25 179.40 1uc3 h ASP 69 N 0.00 0.60 -0.51 0.00 3.32 -1.92 -1.05 116.42 116.86 1uc3 h ASP 69 Ca 0.05 -0.50 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 1uc3 h ASP 69 Cb 0.23 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1uc3 h ASP 69 CO -0.00 0.98 0.24 0.58 -1.72 0.00 0.00 179.24 179.32 1uc3 h VAL 70 N 0.24 1.20 0.18 -1.35 2.07 -1.61 -1.47 116.25 115.50 1uc3 h VAL 70 Ca 0.03 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1uc3 h VAL 70 Cb 0.83 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1uc3 h VAL 70 CO 0.06 0.22 -0.09 0.03 0.02 0.00 0.00 177.57 177.81 1uc3 h ARG 71 N 0.68 -0.24 -0.48 1.57 3.08 -1.27 0.14 114.38 117.85 1uc3 h ARG 71 Ca 0.17 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1uc3 h ARG 71 Cb 0.12 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1uc3 h ARG 71 CO -0.02 -0.15 0.27 2.35 -1.07 0.00 0.00 179.97 181.35 1uc3 h TRP 72 N -0.26 0.66 -0.51 3.04 -0.00 -1.12 0.14 115.95 117.90 1uc3 h TRP 72 Ca -0.03 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.82 1uc3 h TRP 72 Cb 0.20 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 1uc3 h TRP 72 CO -0.06 0.50 0.20 1.25 -0.00 0.00 0.00 178.44 180.33 1uc3 h HIS 73 N 0.64 0.78 -0.62 2.65 2.76 -1.18 -2.23 115.15 117.96 1uc3 h HIS 73 Ca 0.17 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.22 1uc3 h HIS 73 Cb 0.05 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.75 1uc3 h HIS 73 CO -0.02 0.65 0.15 0.00 -1.30 0.00 0.00 177.93 177.41 1uc3 h ALA 74 N 1.05 1.09 -0.16 5.26 0.00 -0.26 -2.23 119.26 124.00 1uc3 h ALA 74 Ca 0.17 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1uc3 h ALA 74 Cb 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1uc3 h ALA 74 CO -0.01 0.61 -0.26 0.93 0.00 0.00 0.00 179.25 180.51 1uc3 h GLU 75 N 0.93 0.29 -0.13 0.00 5.08 -0.51 -2.15 114.58 118.09 1uc3 h GLU 75 Ca 0.20 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1uc3 h GLU 75 Cb 0.34 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1uc3 h GLU 75 CO 0.00 0.54 -0.49 0.00 -1.00 0.00 0.00 179.01 178.06 1uc3 h ARG 76 N 0.26 0.56 0.33 2.33 3.08 -1.11 -2.65 114.38 117.17 1uc3 h ARG 76 Ca 0.04 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.66 1uc3 h ARG 76 Cb 0.61 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1uc3 h ARG 76 CO 0.04 1.05 -0.27 0.82 -1.07 0.00 0.00 179.97 180.55 1uc3 h ILE 77 N 0.18 0.44 -0.32 2.04 2.04 -1.26 -1.03 117.51 119.60 1uc3 h ILE 77 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1uc3 h ILE 77 Cb 1.12 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1uc3 h ILE 77 CO 0.10 0.00 0.22 -0.29 0.00 0.00 0.00 178.15 178.18 1uc3 h ILE 78 N -0.60 1.03 0.00 -0.67 6.09 -1.47 -0.37 117.51 121.52 1uc3 h ILE 78 Ca -0.02 -0.12 -0.07 0.00 -1.37 0.00 0.00 64.86 63.27 1uc3 h ILE 78 Cb 0.53 0.65 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 1uc3 h ILE 78 CO -0.02 0.06 -0.35 0.78 -3.07 0.00 0.00 178.15 175.55 1uc3 h ASN 79 N 0.35 0.00 -0.44 2.19 2.35 -1.13 -1.61 115.58 117.28 1uc3 h ASN 79 Ca 0.13 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1uc3 h ASN 79 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1uc3 h ASN 79 CO -0.03 0.35 -0.22 0.00 -1.65 0.00 0.00 177.43 175.88 1uc3 h ALA 80 N 1.65 0.62 -0.35 -0.83 0.00 0.27 -1.11 119.26 119.51 1uc3 h ALA 80 Ca -0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1uc3 h ALA 80 Cb 1.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1uc3 h ALA 80 CO 0.05 0.61 -0.30 0.28 0.00 0.00 0.00 179.25 179.88 1uc3 h VAL 81 N 0.76 1.28 -0.70 0.00 2.07 -1.23 -2.23 116.25 116.19 1uc3 h VAL 81 Ca 0.10 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 1uc3 h VAL 81 Cb 0.80 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1uc3 h VAL 81 CO 0.07 0.47 0.41 -1.13 0.02 0.00 0.00 177.57 177.41 1uc3 h ASN 82 N 0.63 0.86 -0.72 0.57 -1.24 -1.11 0.11 115.58 114.68 1uc3 h ASN 82 Ca 0.07 -0.08 0.01 0.00 0.71 0.00 0.00 56.30 57.02 1uc3 h ASN 82 Cb 0.82 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 39.62 1uc3 h ASN 82 CO 0.07 0.69 0.47 0.44 -1.29 0.00 0.00 177.43 177.81 1uc3 h ASP 83 N 0.96 0.81 -0.05 1.15 3.32 -0.98 -0.49 116.42 121.14 1uc3 h ASP 83 Ca 0.25 -0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.30 1uc3 h ASP 83 Cb 0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1uc3 h ASP 83 CO -0.04 0.58 -0.04 0.00 -1.72 0.00 0.00 179.24 178.01 1uc3 h ALA 84 N 1.27 0.00 -0.91 3.45 0.00 -0.66 -1.79 119.26 120.64 1uc3 h ALA 84 Ca 0.27 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.23 1uc3 h ALA 84 Cb -0.08 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1uc3 h ALA 84 CO -0.07 -0.52 0.60 0.28 0.00 0.00 0.00 179.25 179.54 1uc3 h VAL 85 N -0.05 1.17 0.00 0.00 2.07 -0.41 -1.89 116.25 117.14 1uc3 h VAL 85 Ca 0.04 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1uc3 h VAL 85 Cb 0.11 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1uc3 h VAL 85 CO -0.08 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1uc3 h ALA 86 N 1.46 1.00 -0.38 1.67 0.00 -0.66 -3.12 119.26 119.23 1uc3 h ALA 86 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1uc3 h ALA 86 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1uc3 h ALA 86 CO -0.10 0.00 0.01 0.43 0.00 0.00 0.00 179.25 179.59 1uc3 n SER 87 N -2.56 4.52 0.21 0.00 7.64 -0.71 -4.61 113.62 118.10 1uc3 n SER 87 Ca 0.03 -3.02 0.15 0.00 1.01 0.00 0.00 58.87 57.04 1uc3 n SER 87 Cb 0.33 -0.60 0.73 0.00 -1.01 0.00 0.00 64.21 63.66 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 2.55 0.00 -0.69 1.43 2.86 -1.46 -0.02 114.93 119.60 1uc3 h MET 88 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1uc3 h MET 88 Cb 1.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.32 1uc3 h MET 88 CO 0.33 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.05 1uc3 n ASP 89 N -2.53 3.89 -3.03 1.22 8.00 -1.26 -4.55 116.55 118.30 1uc3 n ASP 89 Ca -0.01 -2.00 -0.17 0.00 0.71 0.00 0.00 54.79 53.33 1uc3 n ASP 89 Cb 0.11 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 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 1.62 -1.45 0.26 -2.24 -0.08 -0.02 -4.98 116.55 109.66 1uc3 n ASP 90 Ca 0.24 -2.86 0.18 0.00 -1.51 0.00 0.00 54.79 50.84 1uc3 n ASP 90 Cb 0.62 0.50 0.92 0.00 2.34 0.00 0.00 41.12 45.50 1uc3 n ASP 90 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1uc3 h THR 91 N 3.24 0.31 -0.23 5.18 2.02 -1.80 -0.93 112.91 120.71 1uc3 h THR 91 Ca 0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1uc3 h THR 91 Cb 0.97 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1uc3 h THR 91 CO 0.34 0.00 -0.01 -0.08 0.37 0.00 0.00 175.52 176.14 1uc3 h GLU 92 N 0.00 0.40 -0.36 6.66 4.81 -1.94 0.43 114.58 124.59 1uc3 h GLU 92 Ca 0.05 -0.13 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1uc3 h GLU 92 Cb 0.36 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 1uc3 h GLU 92 CO -0.00 0.59 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.63 1uc3 h LYS 93 N 0.17 0.65 -0.67 1.92 3.64 -1.55 -1.98 116.57 118.75 1uc3 h LYS 93 Ca 0.06 -0.22 0.10 0.00 -1.27 0.00 0.00 60.65 59.33 1uc3 h LYS 93 Cb 0.42 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.11 1uc3 h LYS 93 CO 0.01 0.78 0.28 1.98 -2.27 0.00 0.00 179.45 180.23 1uc3 h MET 94 N 0.46 0.46 -0.03 1.90 4.05 -1.24 -2.43 114.93 118.10 1uc3 h MET 94 Ca 0.10 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 1uc3 h MET 94 Cb 0.50 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1uc3 h MET 94 CO 0.02 0.31 0.02 0.77 0.23 0.00 0.00 176.91 178.26 1uc3 h SER 95 N 0.48 0.03 -0.97 1.39 0.02 -0.65 -2.18 113.55 111.67 1uc3 h SER 95 Ca 0.35 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.30 1uc3 h SER 95 Cb 0.43 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.90 1uc3 h SER 95 CO -0.32 0.07 0.63 0.24 -1.14 0.00 0.00 176.83 176.31 1uc3 h MET 96 N -0.01 1.14 -0.11 3.45 2.07 -0.91 0.78 114.93 121.33 1uc3 h MET 96 Ca 0.01 -0.07 -0.09 0.00 -2.07 0.00 0.00 59.70 57.48 1uc3 h MET 96 Cb 0.04 -0.26 0.00 0.00 -1.87 0.00 0.00 31.60 29.52 1uc3 h MET 96 CO -0.00 0.75 -0.30 0.87 1.07 0.00 0.00 176.91 179.30 1uc3 h LYS 97 N 1.17 0.40 -0.34 1.72 1.57 -1.37 -2.80 116.57 116.93 1uc3 h LYS 97 Ca 0.40 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1uc3 h LYS 97 Cb 0.09 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1uc3 h LYS 97 CO -0.15 0.90 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.30 1uc3 h LEU 98 N -0.03 0.70 -0.60 2.94 3.38 -1.19 -1.64 115.31 118.88 1uc3 h LEU 98 Ca -0.01 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.72 1uc3 h LEU 98 Cb 0.91 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1uc3 h LEU 98 CO 0.06 0.93 0.38 0.03 0.09 0.00 0.00 178.44 179.94 1uc3 h ARG 99 N 0.60 0.75 -0.39 1.13 3.08 -0.90 0.94 114.38 119.59 1uc3 h ARG 99 Ca 0.08 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1uc3 h ARG 99 Cb 0.75 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1uc3 h ARG 99 CO 0.06 0.49 0.25 0.22 -1.07 0.00 0.00 179.97 179.92 1uc3 h ASP 100 N 0.77 0.42 -0.38 7.04 3.58 -1.26 -1.03 116.42 125.56 1uc3 h ASP 100 Ca 0.23 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.61 1uc3 h ASP 100 Cb -0.04 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 1uc3 h ASP 100 CO -0.07 0.30 0.01 0.25 -2.88 0.00 0.00 179.24 176.85 1uc3 h LEU 101 N 0.50 0.72 -0.60 2.28 5.85 -0.28 -1.86 115.31 121.92 1uc3 h LEU 101 Ca 0.15 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.73 1uc3 h LEU 101 Cb -0.04 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1uc3 h LEU 101 CO -0.04 0.78 0.36 -1.28 -0.34 0.00 0.00 178.44 177.92 1uc3 h SER 102 N 0.71 0.59 -0.66 1.25 0.87 0.15 -2.26 113.55 114.19 1uc3 h SER 102 Ca 0.14 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 1uc3 h SER 102 Cb 0.42 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 1uc3 h SER 102 CO 0.02 0.41 0.37 1.23 -0.53 0.00 0.00 176.83 178.32 1uc3 h GLY 103 N 0.71 0.97 1.65 5.77 0.00 -0.40 -1.06 103.07 110.71 1uc3 h GLY 103 Ca 0.24 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1uc3 h GLY 103 CO -0.11 0.15 -0.10 0.50 0.00 0.00 0.00 176.54 176.99 1uc3 h LYS 104 N 0.68 0.43 -0.19 4.80 1.57 -0.95 -0.40 116.57 122.50 1uc3 h LYS 104 Ca 0.30 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.89 1uc3 h LYS 104 Cb 0.19 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1uc3 h LYS 104 CO -0.18 0.53 -0.21 0.45 -0.57 0.00 0.00 179.45 179.47 1uc3 h HIS 105 N 0.40 0.56 -0.01 -1.35 3.86 -0.93 0.15 115.15 117.83 1uc3 h HIS 105 Ca 0.08 -0.17 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 1uc3 h HIS 105 Cb 0.42 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1uc3 h HIS 105 CO 0.01 0.84 -0.57 0.00 0.86 0.00 0.00 177.93 179.08 1uc3 h ALA 106 N 0.63 1.04 -3.00 2.45 0.00 -1.03 0.10 119.26 119.45 1uc3 h ALA 106 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1uc3 h ALA 106 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1uc3 h ALA 106 CO 0.05 0.71 0.00 1.63 0.00 0.00 0.00 179.25 181.64 1uc3 n LYS 107 N -3.87 0.00 -0.02 0.00 5.02 -0.17 -4.40 118.16 114.72 1uc3 n LYS 107 Ca -0.01 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.19 1uc3 n LYS 107 Cb 0.57 -0.02 -0.03 0.00 -0.02 0.00 0.00 35.03 35.54 1uc3 n LYS 107 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1uc3 h SER 108 N 0.00 -0.42 1.65 4.39 0.02 -1.61 -3.14 113.55 114.43 1uc3 h SER 108 Ca 0.00 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1uc3 h SER 108 Cb 0.00 0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1uc3 h SER 108 CO 0.00 -0.17 -0.35 -0.26 -1.14 0.00 0.00 176.83 174.90 1uc3 h PHE 109 N -0.15 0.00 -5.98 3.45 0.04 -0.83 -3.48 116.94 109.98 1uc3 h PHE 109 Ca 0.10 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.46 1uc3 h PHE 109 Cb 0.30 0.00 0.08 0.00 2.20 0.00 0.00 35.95 38.53 1uc3 h PHE 109 CO -0.27 0.34 -0.74 1.04 -0.60 0.00 0.00 178.31 178.08 1uc3 n GLN 110 N -3.18 -6.57 -3.42 1.51 6.02 0.21 -4.96 117.38 106.99 1uc3 n GLN 110 Ca 0.03 0.73 -0.38 0.00 -0.01 0.00 0.00 57.00 57.37 1uc3 n GLN 110 Cb 0.67 -5.66 -0.06 0.00 1.02 0.00 0.00 30.24 26.21 1uc3 n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1uc3 s VAL 111 N -3.38 4.99 0.02 5.09 0.11 -0.33 -5.02 120.40 121.89 1uc3 s VAL 111 Ca 0.42 0.94 -0.30 0.00 -2.93 0.00 0.00 61.98 60.11 1uc3 s VAL 111 Cb -0.20 -3.77 -0.08 0.00 -1.53 0.00 0.00 36.38 30.80 1uc3 s VAL 111 CO 0.77 0.53 1.83 -0.62 -3.33 0.00 0.00 175.10 174.28 1uc3 s ASP 112 N -0.76 6.53 0.60 3.54 -1.08 -1.26 -4.70 116.67 119.53 1uc3 s ASP 112 Ca 0.25 2.53 0.30 0.00 -0.52 0.00 0.00 52.55 55.12 1uc3 s ASP 112 Cb -0.17 -2.54 1.75 0.00 -1.46 0.00 0.00 42.92 40.50 1uc3 s ASP 112 CO 0.14 -0.99 2.13 -0.65 0.52 0.00 0.00 175.17 176.31 1uc3 h PRO 113 N 9.88 0.00 0.00 4.34 0.11 -1.97 -3.04 132.00 141.33 1uc3 h PRO 113 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1uc3 h PRO 113 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1uc3 h PRO 113 CO 0.94 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.77 1uc3 n GLN 114 N -3.67 0.10 0.05 1.05 1.13 -1.26 -3.26 117.38 111.52 1uc3 n GLN 114 Ca 0.00 0.41 0.11 0.00 -1.94 0.00 0.00 57.00 55.59 1uc3 n GLN 114 Cb 0.28 -1.73 0.03 0.00 0.11 0.00 0.00 30.24 28.94 1uc3 n GLN 114 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1uc3 n TYR 115 N -1.92 0.44 -0.11 1.08 4.01 -1.15 -4.34 117.16 115.18 1uc3 n TYR 115 Ca 0.02 0.13 -0.05 0.00 -0.16 0.00 0.00 57.90 57.83 1uc3 n TYR 115 Cb 0.16 -0.59 0.01 0.00 -0.31 0.00 0.00 39.34 38.61 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 0.00 -0.15 0.00 -0.72 0.04 -1.79 -0.88 116.94 113.45 1uc3 h PHE 116 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1uc3 h PHE 116 Cb 0.81 0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.07 1uc3 h PHE 116 CO 0.00 -0.13 -0.14 1.57 -0.60 0.00 0.00 178.31 179.01 1uc3 h LYS 117 N 0.03 0.00 -0.14 1.51 2.10 -1.82 0.11 116.57 118.36 1uc3 h LYS 117 Ca 0.18 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.65 1uc3 h LYS 117 Cb 0.26 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.60 1uc3 h LYS 117 CO -0.35 0.14 -0.60 0.28 -2.00 0.00 0.00 179.45 176.92 1uc3 h VAL 118 N 0.00 1.33 -0.12 0.07 2.07 -1.42 -0.44 116.25 117.74 1uc3 h VAL 118 Ca -0.00 -1.86 -0.17 0.00 0.82 0.00 0.00 66.70 65.49 1uc3 h VAL 118 Cb 0.29 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1uc3 h VAL 118 CO 0.02 0.57 -0.66 0.25 0.02 0.00 0.00 177.57 177.78 1uc3 h LEU 119 N 0.31 0.54 -0.67 2.57 5.85 -0.93 -2.89 115.31 120.10 1uc3 h LEU 119 Ca -0.04 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1uc3 h LEU 119 Cb 1.23 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1uc3 h LEU 119 CO 0.12 1.05 0.42 0.00 -0.34 0.00 0.00 178.44 179.70 1uc3 h ALA 120 N 0.95 0.85 -0.68 1.25 0.00 -0.72 -1.82 119.26 119.08 1uc3 h ALA 120 Ca -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1uc3 h ALA 120 Cb 1.22 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1uc3 h ALA 120 CO 0.12 0.30 0.45 0.00 0.00 0.00 0.00 179.25 180.12 1uc3 h ALA 121 N 1.22 1.55 -0.59 0.00 0.00 -0.96 0.11 119.26 120.60 1uc3 h ALA 121 Ca 0.24 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1uc3 h ALA 121 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1uc3 h ALA 121 CO -0.05 0.40 0.01 0.28 0.00 0.00 0.00 179.25 179.90 1uc3 h VAL 122 N 0.89 1.26 -0.18 0.00 2.07 -1.15 -0.45 116.25 118.68 1uc3 h VAL 122 Ca 0.26 -1.11 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 1uc3 h VAL 122 Cb -0.04 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1uc3 h VAL 122 CO -0.06 0.40 -0.39 0.40 0.02 0.00 0.00 177.57 177.94 1uc3 h ILE 123 N 0.93 1.30 -0.23 4.57 2.04 -0.45 -2.11 117.51 123.56 1uc3 h ILE 123 Ca 0.17 -1.51 -0.19 0.00 1.00 0.00 0.00 64.86 64.33 1uc3 h ILE 123 Cb 0.52 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1uc3 h ILE 123 CO 0.03 0.47 -0.58 0.00 0.00 0.00 0.00 178.15 178.06 1uc3 h ALA 124 N 1.25 0.39 -0.00 1.87 0.00 -0.48 -1.07 119.26 121.22 1uc3 h ALA 124 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 1uc3 h ALA 124 Cb 0.84 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1uc3 h ALA 124 CO 0.07 0.62 -0.30 0.22 0.00 0.00 0.00 179.25 179.86 1uc3 h ASP 125 N 0.56 0.00 0.20 0.00 3.58 -1.00 -0.60 116.42 119.16 1uc3 h ASP 125 Ca -0.01 -0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.15 1uc3 h ASP 125 Cb 1.20 -0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.28 1uc3 h ASP 125 CO 0.13 0.31 -1.25 0.74 -2.88 0.00 0.00 179.24 176.28 1uc3 h THR 126 N 0.00 1.34 0.02 2.25 2.02 -1.27 -3.28 112.91 113.99 1uc3 h THR 126 Ca -0.00 -2.60 -0.00 0.00 0.77 0.00 0.00 66.41 64.58 1uc3 h THR 126 Cb 0.54 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 1uc3 h THR 126 CO 0.04 0.77 -0.01 0.58 0.37 0.00 0.00 175.52 177.27 1uc3 h VAL 127 N 0.04 1.42 -1.36 3.16 2.07 -1.05 -3.44 116.25 117.10 1uc3 h VAL 127 Ca -0.21 -1.93 -0.28 0.00 0.82 0.00 0.00 66.70 65.09 1uc3 h VAL 127 Cb 1.97 2.63 -0.23 0.00 -1.52 0.00 0.00 31.29 34.15 1uc3 h VAL 127 CO 0.24 0.46 -0.64 0.00 0.02 0.00 0.00 177.57 177.65 1uc3 n ALA 128 N -2.60 -0.46 -1.69 1.67 0.00 -0.25 -4.80 120.51 112.37 1uc3 n ALA 128 Ca -0.08 -1.66 -0.52 0.00 0.00 0.00 0.00 53.44 51.17 1uc3 n ALA 128 Cb 0.37 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.49 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 2.83 0.38 -0.92 0.00 0.00 -1.09 -1.11 120.51 120.60 1uc3 n ALA 129 Ca 0.21 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1uc3 n ALA 129 Cb 0.54 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 4.20 0.80 3.65 0.00 0.00 -1.26 -5.01 105.19 107.58 1uc3 n GLY 130 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.63 7.03 0.21 1.61 2.15 -0.27 -4.91 116.67 119.86 1uc3 s ASP 131 Ca 0.00 1.26 -0.09 0.00 0.43 0.00 0.00 52.55 54.15 1uc3 s ASP 131 Cb 0.00 -2.53 0.17 0.00 -0.30 0.00 0.00 42.92 40.26 1uc3 s ASP 131 CO 0.00 -0.69 1.86 0.00 -0.17 0.00 0.00 175.17 176.16 1uc3 h ALA 132 N 7.62 1.01 -0.47 3.66 0.00 -1.95 -2.65 119.26 126.48 1uc3 h ALA 132 Ca -0.20 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1uc3 h ALA 132 Cb 1.06 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1uc3 h ALA 132 CO 0.98 0.48 0.20 0.78 0.00 0.00 0.00 179.25 181.68 1uc3 h GLY 133 N 1.09 0.64 1.81 0.00 0.00 -1.92 -1.12 103.07 103.57 1uc3 h GLY 133 Ca 0.28 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.41 1uc3 h GLY 133 CO -0.05 0.06 -0.29 -2.75 0.00 0.00 0.00 176.54 173.50 1uc3 h PHE 134 N 0.40 0.24 -0.40 5.60 3.57 -1.84 -2.34 116.94 122.18 1uc3 h PHE 134 Ca 0.21 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 1uc3 h PHE 134 Cb 0.18 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1uc3 h PHE 134 CO -0.13 0.50 -0.23 0.93 -2.23 0.00 0.00 178.31 177.15 1uc3 h GLU 135 N 0.19 0.80 -0.33 1.11 5.08 -1.05 -1.44 114.58 118.95 1uc3 h GLU 135 Ca 0.03 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1uc3 h GLU 135 Cb 0.63 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1uc3 h GLU 135 CO 0.05 0.95 0.21 -0.22 -1.00 0.00 0.00 179.01 179.00 1uc3 h LYS 136 N 0.70 0.42 -0.21 2.33 3.64 -0.75 0.17 116.57 122.88 1uc3 h LYS 136 Ca 0.09 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1uc3 h LYS 136 Cb 0.75 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1uc3 h LYS 136 CO 0.06 0.28 0.10 1.25 -2.27 0.00 0.00 179.45 178.87 1uc3 h LEU 137 N 0.43 0.15 -1.53 5.20 6.46 -1.22 0.52 115.31 125.32 1uc3 h LEU 137 Ca 0.12 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1uc3 h LEU 137 Cb -0.03 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1uc3 h LEU 137 CO -0.04 0.12 -0.11 0.24 -0.62 0.00 0.00 178.44 178.03 1uc3 h MET 138 N 0.21 0.17 -0.23 1.25 2.86 -0.82 0.71 114.93 119.09 1uc3 h MET 138 Ca 0.08 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.56 1uc3 h MET 138 Cb 0.02 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 1uc3 h MET 138 CO -0.06 0.29 -0.36 0.77 1.06 0.00 0.00 176.91 178.61 1uc3 h SER 139 N 0.17 0.71 -0.51 1.22 0.02 -0.04 1.00 113.55 116.12 1uc3 h SER 139 Ca 0.04 -0.52 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1uc3 h SER 139 Cb 0.30 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1uc3 h SER 139 CO 0.02 1.10 0.24 0.24 -1.14 0.00 0.00 176.83 177.28 1uc3 h MET 140 N 0.35 0.45 -0.22 3.45 2.07 -0.08 0.35 114.93 121.29 1uc3 h MET 140 Ca 0.02 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.60 1uc3 h MET 140 Cb 0.95 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.57 1uc3 h MET 140 CO 0.08 0.30 0.06 0.82 1.07 0.00 0.00 176.91 179.24 1uc3 h ILE 141 N 0.46 1.20 -0.53 -1.22 2.04 -0.75 -1.39 117.51 117.31 1uc3 h ILE 141 Ca 0.23 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1uc3 h ILE 141 Cb 0.17 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1uc3 h ILE 141 CO -0.18 0.20 0.05 0.00 0.00 0.00 0.00 178.15 178.22 1uc3 h ILE 143 N 0.82 1.24 -0.23 0.00 2.04 -0.20 -2.46 117.51 118.71 1uc3 h ILE 143 Ca 0.16 -0.71 -0.16 0.00 1.00 0.00 0.00 64.86 65.15 1uc3 h ILE 143 Cb 0.42 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1uc3 h ILE 143 CO 0.01 0.29 -0.51 -0.07 0.00 0.00 0.00 178.15 177.88 1uc3 h LEU 144 N 0.99 0.71 -1.36 1.44 3.38 -0.57 -2.81 115.31 117.09 1uc3 h LEU 144 Ca 0.24 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1uc3 h LEU 144 Cb 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1uc3 h LEU 144 CO -0.02 1.09 0.00 -0.07 0.09 0.00 0.00 178.44 179.53 1uc3 h LEU 145 N 0.51 0.00 -0.72 1.67 3.38 0.18 -2.38 115.31 117.94 1uc3 h LEU 145 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1uc3 h LEU 145 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1uc3 h LEU 145 CO 0.10 0.00 -0.59 0.54 0.09 0.00 0.00 178.44 178.58 1uc3 n ARG 146 N -2.60 1.02 0.11 1.13 1.74 -0.95 -4.43 116.66 112.68 1uc3 n ARG 146 Ca 0.00 -0.71 0.15 0.00 -0.77 0.00 0.00 57.85 56.52 1uc3 n ARG 146 Cb 0.19 -1.45 0.66 0.00 -1.02 0.00 0.00 32.46 30.85 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 1.72 0.01 0.58 0.55 4.64 -1.17 -1.25 113.55 118.64 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 0.66 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1uc3 h SER 147 CO 0.00 0.01 -0.17 0.00 -0.87 0.00 0.00 176.83 175.80 1uc3 n ALA 148 N -2.60 2.82 1.65 5.18 0.00 -1.26 -5.08 120.51 121.22 1uc3 n ALA 148 Ca 0.04 -0.24 0.15 0.00 0.00 0.00 0.00 53.44 53.39 1uc3 n ALA 148 Cb 0.39 -1.32 0.65 0.00 0.00 0.00 0.00 19.45 19.16 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16