#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 5.24 0.29 4.25 1.01 -1.26 -4.70 121.20 126.03 1uc3 s ILE 2 Ca 0.00 0.44 0.11 0.00 0.00 0.00 0.00 60.65 61.20 1uc3 s ILE 2 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1uc3 s ILE 2 CO 0.00 0.23 -0.13 0.68 0.00 0.00 0.00 174.94 175.72 1uc3 s VAL 3 N 1.67 2.66 -0.11 2.92 -7.23 -1.26 -5.02 120.40 114.03 1uc3 s VAL 3 Ca 0.13 -2.24 0.14 0.00 -1.81 0.00 0.00 61.98 58.20 1uc3 s VAL 3 Cb -0.15 -2.51 0.27 0.00 0.56 0.00 0.00 36.38 34.55 1uc3 s VAL 3 CO 0.09 -0.35 1.13 -0.90 -0.31 0.00 0.00 175.10 174.76 1uc3 n ASP 4 N -0.73 1.55 -3.47 4.85 5.68 -1.26 -4.33 116.55 118.83 1uc3 n ASP 4 Ca -0.05 -2.91 -0.11 0.00 -0.50 0.00 0.00 54.79 51.22 1uc3 n ASP 4 Cb 0.60 -0.39 -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 -2.45 -0.50 0.00 -1.12 1.04 -1.26 -4.34 113.70 105.07 1uc3 s SER 5 Ca 0.26 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1uc3 s SER 5 Cb 0.25 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.93 1uc3 s SER 5 CO -0.02 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1uc3 n GLY 6 N -0.36 -1.80 3.90 7.32 0.00 -1.26 -4.96 105.19 108.03 1uc3 n GLY 6 Ca -0.14 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 6.42 -0.16 1.61 0.15 -1.26 -5.09 113.70 111.37 1uc3 s SER 7 Ca 0.00 0.42 -0.02 0.00 0.70 0.00 0.00 55.95 57.05 1uc3 s SER 7 Cb 0.00 -2.02 0.05 0.00 -1.71 0.00 0.00 66.02 62.34 1uc3 s SER 7 CO 0.00 0.17 0.01 0.68 1.20 0.00 0.00 173.24 175.31 1uc3 s VAL 8 N -1.47 0.60 0.14 4.45 -7.23 -1.26 -5.11 120.40 110.51 1uc3 s VAL 8 Ca 0.34 -0.43 -0.35 0.00 -1.81 0.00 0.00 61.98 59.73 1uc3 s VAL 8 Cb -0.13 -0.98 -0.15 0.00 0.56 0.00 0.00 36.38 35.69 1uc3 s VAL 8 CO 0.23 -0.05 1.45 0.00 -0.31 0.00 0.00 175.10 176.42 1uc3 n ALA 9 N 5.04 0.36 -0.93 1.32 0.00 -1.26 -4.89 120.51 120.14 1uc3 n ALA 9 Ca -0.09 0.47 -0.35 0.00 0.00 0.00 0.00 53.44 53.47 1uc3 n ALA 9 Cb 0.48 -2.22 0.07 0.00 0.00 0.00 0.00 19.45 17.77 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 2.86 -0.11 -2.86 0.00 -0.02 -1.26 -4.91 135.00 128.70 1uc3 n PRO 10 Ca 0.17 -0.01 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 1uc3 n PRO 10 Cb 0.25 -1.33 -0.05 0.00 -0.02 0.00 0.00 33.50 32.35 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 4.46 4.45 0.51 2.45 1.43 -1.26 -5.05 118.68 125.67 1uc3 s LEU 11 Ca 0.47 1.58 -0.13 0.00 -1.03 0.00 0.00 54.13 55.01 1uc3 s LEU 11 Cb -0.20 -3.39 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 1uc3 s LEU 11 CO 0.77 -0.06 0.93 -0.94 0.23 0.00 0.00 176.35 177.28 1uc3 s SER 12 N 0.17 6.48 0.34 2.29 1.04 -1.26 -4.86 113.70 117.90 1uc3 s SER 12 Ca 0.43 1.39 0.10 0.00 0.48 0.00 0.00 55.95 58.35 1uc3 s SER 12 Cb -0.21 -2.44 0.86 0.00 0.10 0.00 0.00 66.02 64.32 1uc3 s SER 12 CO 0.26 -0.61 1.79 0.00 0.98 0.00 0.00 173.24 175.65 1uc3 h ALA 13 N 0.64 1.85 -0.25 5.32 0.00 -2.00 0.26 119.26 125.07 1uc3 h ALA 13 Ca -0.46 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1uc3 h ALA 13 Cb 1.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1uc3 h ALA 13 CO 0.62 -0.22 -0.40 0.00 0.00 0.00 0.00 179.25 179.25 1uc3 h ALA 14 N 1.64 0.82 -0.45 0.00 0.00 -2.00 -2.42 119.26 116.85 1uc3 h ALA 14 Ca 0.56 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1uc3 h ALA 14 Cb 1.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1uc3 h ALA 14 CO -0.34 0.65 -0.19 0.93 0.00 0.00 0.00 179.25 180.30 1uc3 h GLU 15 N 0.49 0.89 -0.48 0.00 5.08 -0.92 -1.95 114.58 117.70 1uc3 h GLU 15 Ca 0.04 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 57.92 1uc3 h GLU 15 Cb 0.92 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1uc3 h GLU 15 CO 0.08 1.00 -0.21 0.87 -1.00 0.00 0.00 179.01 179.75 1uc3 h LYS 16 N 0.78 0.99 0.09 2.33 1.57 -1.10 -1.81 116.57 119.41 1uc3 h LYS 16 Ca 0.11 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1uc3 h LYS 16 Cb 0.73 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1uc3 h LYS 16 CO 0.06 1.10 -0.09 1.15 -0.57 0.00 0.00 179.45 181.09 1uc3 h THR 17 N 0.84 0.79 -0.08 -0.16 2.02 -1.29 0.14 112.91 115.16 1uc3 h THR 17 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 1uc3 h THR 17 Cb 0.79 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 1uc3 h THR 17 CO 0.07 0.00 -0.06 0.50 0.37 0.00 0.00 175.52 176.39 1uc3 h LYS 18 N -0.20 -0.07 -0.24 6.66 3.11 -1.33 -0.83 116.57 123.66 1uc3 h LYS 18 Ca 0.01 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.89 1uc3 h LYS 18 Cb 0.20 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.41 1uc3 h LYS 18 CO -0.03 -0.05 0.01 0.82 -2.81 0.00 0.00 179.45 177.39 1uc3 h ILE 19 N -0.08 0.84 -0.89 2.00 2.04 -1.02 -0.07 117.51 120.34 1uc3 h ILE 19 Ca 0.06 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.89 1uc3 h ILE 19 Cb 0.16 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1uc3 h ILE 19 CO -0.13 0.02 0.57 0.03 0.00 0.00 0.00 178.15 178.64 1uc3 h ARG 20 N 0.09 1.18 0.10 2.37 3.08 -0.47 -1.22 114.38 119.51 1uc3 h ARG 20 Ca 0.11 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1uc3 h ARG 20 Cb 0.14 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1uc3 h ARG 20 CO -0.18 0.79 -0.05 0.66 -1.07 0.00 0.00 179.97 180.12 1uc3 h SER 21 N 1.21 -0.12 0.50 7.04 4.64 -0.35 -2.69 113.55 123.78 1uc3 h SER 21 Ca 0.32 -0.26 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 1uc3 h SER 21 Cb -0.12 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1uc3 h SER 21 CO -0.07 0.20 -0.41 0.00 -0.87 0.00 0.00 176.83 175.68 1uc3 h ALA 22 N 0.42 1.22 0.01 5.18 0.00 -0.93 -3.16 119.26 121.99 1uc3 h ALA 22 Ca -0.01 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.33 1uc3 h ALA 22 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1uc3 h ALA 22 CO 0.02 0.52 -0.88 2.35 0.00 0.00 0.00 179.25 181.26 1uc3 h TRP 23 N 0.00 0.19 -0.23 0.00 2.91 -1.24 -3.36 115.95 114.22 1uc3 h TRP 23 Ca -0.00 -0.11 0.05 0.00 1.13 0.00 0.00 58.89 59.96 1uc3 h TRP 23 Cb 0.77 -0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 29.33 1uc3 h TRP 23 CO 0.00 0.94 -0.44 0.00 -1.03 0.00 0.00 178.44 177.91 1uc3 h ALA 24 N 1.02 -0.57 -0.79 2.65 0.00 -1.44 -0.54 119.26 119.59 1uc3 h ALA 24 Ca -0.03 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1uc3 h ALA 24 Cb 1.52 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 20.11 1uc3 h ALA 24 CO 0.13 -0.93 0.52 -1.35 0.00 0.00 0.00 179.25 177.63 1uc3 h PRO 25 N -0.44 0.45 0.06 0.00 0.11 -1.74 -1.52 132.00 128.92 1uc3 h PRO 25 Ca 0.09 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.99 1uc3 h PRO 25 Cb 0.62 -0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.64 1uc3 h PRO 25 CO -0.47 0.30 -0.76 0.28 -0.21 0.00 0.00 178.00 177.14 1uc3 h VAL 26 N 0.46 1.43 -0.00 3.15 2.07 -1.48 -3.32 116.25 118.56 1uc3 h VAL 26 Ca 0.39 -2.28 -0.12 0.00 0.82 0.00 0.00 66.70 65.51 1uc3 h VAL 26 Cb 0.86 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.41 1uc3 h VAL 26 CO -0.14 0.66 -0.58 0.22 0.02 0.00 0.00 177.57 177.76 1uc3 h TYR 27 N -0.13 0.02 0.00 1.57 5.03 -0.70 -1.86 116.97 120.89 1uc3 h TYR 27 Ca -0.11 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.19 1uc3 h TYR 27 Cb 1.50 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.78 1uc3 h TYR 27 CO 0.16 0.59 0.00 0.66 -1.32 0.00 0.00 178.16 178.25 1uc3 h SER 28 N 0.01 0.00 -0.87 -2.11 4.64 -1.41 -2.28 113.55 111.53 1uc3 h SER 28 Ca -0.01 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1uc3 h SER 28 Cb 1.03 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.71 1uc3 h SER 28 CO 0.08 0.00 -1.00 -3.20 -0.87 0.00 0.00 176.83 171.83 1uc3 n ASN 29 N -2.41 2.87 -0.06 4.97 5.15 -0.90 -4.92 115.26 119.96 1uc3 n ASN 29 Ca 0.00 -2.92 -0.05 0.00 -0.60 0.00 0.00 54.58 51.01 1uc3 n ASN 29 Cb 0.17 -0.46 0.14 0.00 -0.53 0.00 0.00 39.78 39.10 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 2.62 0.75 -0.79 1.20 -0.00 -0.74 -0.92 116.97 119.09 1uc3 h TYR 30 Ca 0.07 -0.15 0.12 0.00 0.00 0.00 0.00 58.73 58.77 1uc3 h TYR 30 Cb 1.24 -0.19 -0.06 0.00 0.00 0.00 0.00 36.73 37.72 1uc3 h TYR 30 CO 0.64 0.81 0.52 0.93 -0.00 0.00 0.00 178.16 181.06 1uc3 h GLU 31 N 0.61 0.58 0.06 0.10 3.07 -1.88 0.43 114.58 117.55 1uc3 h GLU 31 Ca 0.09 -0.04 -0.27 0.00 -0.50 0.00 0.00 59.36 58.65 1uc3 h GLU 31 Cb 0.64 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1uc3 h GLU 31 CO 0.05 0.39 -1.46 1.15 -1.40 0.00 0.00 179.01 177.73 1uc3 h THR 32 N 0.60 0.89 -0.15 1.13 2.02 -1.91 -3.27 112.91 112.22 1uc3 h THR 32 Ca 0.38 -2.28 0.02 0.00 0.77 0.00 0.00 66.41 65.30 1uc3 h THR 32 Cb 0.64 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.47 1uc3 h THR 32 CO -0.14 0.57 0.02 0.28 0.37 0.00 0.00 175.52 176.61 1uc3 h SER 33 N -0.56 -0.01 -0.57 4.18 0.02 -0.93 -2.01 113.55 113.68 1uc3 h SER 33 Ca -0.35 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 60.69 1uc3 h SER 33 Cb 1.59 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 64.12 1uc3 h SER 33 CO -0.06 0.02 0.26 1.23 -1.14 0.00 0.00 176.83 177.14 1uc3 h GLY 34 N 0.08 0.81 0.87 -3.77 0.00 -0.33 -1.29 103.07 99.43 1uc3 h GLY 34 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1uc3 h GLY 34 CO -0.10 0.07 -0.05 -2.08 0.00 0.00 0.00 176.54 174.38 1uc3 h VAL 35 N 0.49 0.98 -0.50 4.60 2.07 -1.55 -1.19 116.25 121.15 1uc3 h VAL 35 Ca 0.27 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1uc3 h VAL 35 Cb 0.23 1.17 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 1uc3 h VAL 35 CO -0.22 0.07 -0.03 0.44 0.02 0.00 0.00 177.57 177.85 1uc3 h ASP 36 N -0.27 -0.28 -0.67 0.57 3.32 -1.10 0.29 116.42 118.28 1uc3 h ASP 36 Ca -0.01 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1uc3 h ASP 36 Cb 0.23 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1uc3 h ASP 36 CO 0.02 -0.10 0.41 0.40 -1.72 0.00 0.00 179.24 178.25 1uc3 h ILE 37 N 0.08 1.19 -0.22 0.35 2.04 -1.06 -0.19 117.51 119.71 1uc3 h ILE 37 Ca 0.25 -0.42 -0.21 0.00 1.00 0.00 0.00 64.86 65.48 1uc3 h ILE 37 Cb 0.38 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1uc3 h ILE 37 CO -0.44 0.20 -0.67 0.25 0.00 0.00 0.00 178.15 177.49 1uc3 h LEU 38 N 0.91 0.97 -0.49 1.44 5.85 -0.32 -1.99 115.31 121.67 1uc3 h LEU 38 Ca 0.24 -0.58 -0.12 0.00 0.84 0.00 0.00 57.88 58.26 1uc3 h LEU 38 Cb -0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 1uc3 h LEU 38 CO -0.05 1.38 -0.15 0.58 -0.34 0.00 0.00 178.44 179.87 1uc3 h VAL 39 N 0.60 1.27 -0.62 1.05 2.07 -0.37 -0.19 116.25 120.06 1uc3 h VAL 39 Ca -0.02 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1uc3 h VAL 39 Cb 1.29 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1uc3 h VAL 39 CO 0.14 0.45 0.21 0.50 0.02 0.00 0.00 177.57 178.89 1uc3 h LYS 40 N 0.82 0.96 -0.13 1.57 3.64 -1.04 -0.03 116.57 122.36 1uc3 h LYS 40 Ca 0.12 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1uc3 h LYS 40 Cb 0.71 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1uc3 h LYS 40 CO 0.05 0.84 -0.01 0.35 -2.27 0.00 0.00 179.45 178.41 1uc3 h PHE 41 N 0.88 0.26 0.41 1.91 3.57 -1.21 -1.89 116.94 120.88 1uc3 h PHE 41 Ca 0.20 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1uc3 h PHE 41 Cb 0.27 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1uc3 h PHE 41 CO 0.02 0.49 -0.23 0.35 -2.23 0.00 0.00 178.31 176.71 1uc3 h PHE 42 N -0.05 -0.61 -0.09 0.41 3.57 -0.89 -2.10 116.94 117.18 1uc3 h PHE 42 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1uc3 h PHE 42 Cb 0.40 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1uc3 h PHE 42 CO 0.04 -0.37 0.06 1.79 -2.23 0.00 0.00 178.31 177.60 1uc3 h THR 43 N -0.61 1.04 0.00 4.41 1.35 -1.06 -3.05 112.91 114.99 1uc3 h THR 43 Ca -0.05 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1uc3 h THR 43 Cb 0.49 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1uc3 h THR 43 CO 0.06 0.04 0.00 -1.54 -0.25 0.00 0.00 175.52 173.83 1uc3 n SER 44 N -5.01 0.00 -3.48 5.36 3.41 -0.71 -4.12 113.62 109.07 1uc3 n SER 44 Ca -0.05 0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 58.55 1uc3 n SER 44 Cb 0.04 -0.40 -0.09 0.00 -0.26 0.00 0.00 64.21 63.50 1uc3 n SER 44 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1uc3 n THR 45 N -1.40 0.32 -0.30 6.66 -1.04 -0.79 -4.98 114.28 112.75 1uc3 n THR 45 Ca 0.08 -4.28 0.13 0.00 -2.04 0.00 0.00 64.05 57.93 1uc3 n THR 45 Cb 0.22 -1.95 0.29 0.00 -1.82 0.00 0.00 70.33 67.07 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 4.90 0.33 -0.74 -2.82 0.11 -1.72 -1.31 132.00 130.75 1uc3 h PRO 46 Ca 0.18 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.45 1uc3 h PRO 46 Cb 0.81 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.81 1uc3 h PRO 46 CO 0.57 0.22 0.51 0.00 -0.21 0.00 0.00 178.00 179.09 1uc3 h ALA 47 N 1.72 2.35 0.00 -0.75 0.00 -1.94 -1.27 119.26 119.37 1uc3 h ALA 47 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1uc3 h ALA 47 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1uc3 h ALA 47 CO -0.55 -0.57 -0.25 0.00 0.00 0.00 0.00 179.25 177.88 1uc3 h ALA 48 N 1.65 0.83 -0.75 0.00 0.00 -1.59 -3.37 119.26 116.03 1uc3 h ALA 48 Ca 0.37 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.41 1uc3 h ALA 48 Cb 1.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1uc3 h ALA 48 CO -0.08 0.00 0.50 1.96 0.00 0.00 0.00 179.25 181.63 1uc3 h GLN 49 N 0.00 0.46 0.00 0.00 4.20 -1.27 -2.04 115.11 116.46 1uc3 h GLN 49 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1uc3 h GLN 49 Cb 0.77 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1uc3 h GLN 49 CO 0.00 0.31 0.00 -0.85 -0.67 0.00 0.00 178.83 177.62 1uc3 n GLU 50 N -4.49 0.05 -0.01 1.46 0.28 -1.26 -2.09 120.64 114.57 1uc3 n GLU 50 Ca 0.14 0.44 0.14 0.00 -0.16 0.00 0.00 57.16 57.71 1uc3 n GLU 50 Cb 0.48 -1.62 0.53 0.00 1.43 0.00 0.00 31.44 32.26 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 -1.72 0.03 -3.49 -1.84 3.72 -0.77 -4.33 117.46 109.07 1uc3 n PHE 51 Ca 0.01 -0.02 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 1uc3 n PHE 51 Cb 0.09 0.00 -0.08 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 0.10 3.51 -0.14 1.38 3.01 -0.89 -4.93 117.46 119.50 1uc3 n PHE 52 Ca 0.19 -4.06 0.14 0.00 1.01 0.00 0.00 57.45 54.72 1uc3 n PHE 52 Cb 0.33 -0.66 0.49 0.00 -0.01 0.00 0.00 39.48 39.63 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 4.59 0.43 0.00 -1.08 0.11 -1.81 -1.05 132.00 133.20 1uc3 h PRO 53 Ca 0.19 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1uc3 h PRO 53 Cb 0.68 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1uc3 h PRO 53 CO 0.86 0.29 0.00 1.63 -0.21 0.00 0.00 178.00 180.56 1uc3 n LYS 54 N -4.48 0.19 -0.02 1.05 5.02 -1.26 -1.65 118.16 117.02 1uc3 n LYS 54 Ca 0.13 0.49 0.13 0.00 -2.02 0.00 0.00 58.31 57.03 1uc3 n LYS 54 Cb 0.46 -1.92 0.31 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.29 0.05 -1.62 2.13 3.01 -0.40 -4.97 117.46 113.38 1uc3 n PHE 55 Ca 0.01 -0.03 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 1uc3 n PHE 55 Cb 0.18 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.65 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 0.78 1.51 0.00 -1.08 4.81 -0.66 -1.61 118.16 121.92 1uc3 n LYS 56 Ca 0.17 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1uc3 n LYS 56 Cb 0.47 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.51 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 1.11 2.10 3.28 3.14 0.00 -1.26 -5.02 105.19 108.54 1uc3 n GLY 57 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.70 3.07 0.00 1.61 -1.94 -0.63 -4.97 119.30 115.74 1uc3 s MET 58 Ca 0.00 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.16 1uc3 s MET 58 Cb 0.00 -2.38 0.00 0.00 2.01 0.00 0.00 34.83 34.46 1uc3 s MET 58 CO 0.00 0.23 0.00 0.25 -0.01 0.00 0.00 175.02 175.49 1uc3 n THR 59 N 3.42 0.00 -2.88 2.05 -2.24 -1.26 -4.98 114.28 108.39 1uc3 n THR 59 Ca -0.19 -0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 1uc3 n THR 59 Cb 0.53 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.25 6.47 0.26 3.42 1.04 -1.26 -4.94 113.70 118.44 1uc3 s SER 60 Ca 0.00 1.05 -0.03 0.00 0.48 0.00 0.00 55.95 57.45 1uc3 s SER 60 Cb 0.00 -2.29 0.32 0.00 0.10 0.00 0.00 66.02 64.15 1uc3 s SER 60 CO 0.00 -0.40 1.79 0.00 0.98 0.00 0.00 173.24 175.61 1uc3 h ALA 61 N 1.14 1.13 -0.16 5.32 0.00 -1.98 -2.50 119.26 122.21 1uc3 h ALA 61 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1uc3 h ALA 61 Cb 1.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1uc3 h ALA 61 CO 0.64 0.58 0.10 -0.44 0.00 0.00 0.00 179.25 180.13 1uc3 h ASP 62 N 0.87 0.17 -0.11 0.00 5.19 -2.00 -2.28 116.42 118.26 1uc3 h ASP 62 Ca 0.19 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1uc3 h ASP 62 Cb 0.33 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1uc3 h ASP 62 CO 0.00 0.12 0.06 1.56 -3.12 0.00 0.00 179.24 177.86 1uc3 h GLN 63 N 0.20 0.12 0.06 3.56 4.20 -1.91 -3.13 115.11 118.21 1uc3 h GLN 63 Ca 0.06 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1uc3 h GLN 63 Cb -0.02 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1uc3 h GLN 63 CO -0.02 0.08 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.04 1uc3 h LEU 64 N 0.12 -0.29 -2.80 1.46 3.38 -1.33 -2.60 115.31 113.25 1uc3 h LEU 64 Ca 0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uc3 h LEU 64 Cb -0.00 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1uc3 h LEU 64 CO -0.02 -0.16 0.01 0.11 0.09 0.00 0.00 178.44 178.47 1uc3 h LYS 65 N -0.22 0.00 0.00 1.13 1.57 -1.43 -1.53 116.57 116.09 1uc3 h LYS 65 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1uc3 h LYS 65 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1uc3 h LYS 65 CO -0.06 0.00 -0.70 1.63 -0.57 0.00 0.00 179.45 179.75 1uc3 n LYS 66 N -3.32 0.12 -2.64 3.15 5.02 -1.00 -4.90 118.16 114.60 1uc3 n LYS 66 Ca -0.03 0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1uc3 n LYS 66 Cb 0.09 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.45 7.31 0.30 4.39 0.15 -0.58 -4.92 113.70 116.90 1uc3 s SER 67 Ca 0.08 1.75 0.06 0.00 0.70 0.00 0.00 55.95 58.53 1uc3 s SER 67 Cb 0.16 -2.57 0.49 0.00 -1.71 0.00 0.00 66.02 62.39 1uc3 s SER 67 CO 0.74 -0.30 1.74 0.00 1.20 0.00 0.00 173.24 176.62 1uc3 h ALA 68 N 6.75 1.17 -0.71 5.45 0.00 -1.90 -2.59 119.26 127.42 1uc3 h ALA 68 Ca -0.41 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.10 1uc3 h ALA 68 Cb 1.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1uc3 h ALA 68 CO 0.76 0.54 0.29 -0.44 0.00 0.00 0.00 179.25 180.40 1uc3 h ASP 69 N 0.28 0.98 -0.20 0.00 3.32 -1.93 0.54 116.42 119.40 1uc3 h ASP 69 Ca 0.04 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1uc3 h ASP 69 Cb 0.70 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1uc3 h ASP 69 CO 0.05 0.88 0.09 0.58 -1.72 0.00 0.00 179.24 179.13 1uc3 h VAL 70 N 1.01 1.14 0.14 -1.35 2.07 -1.76 -1.74 116.25 115.76 1uc3 h VAL 70 Ca 0.24 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1uc3 h VAL 70 Cb 0.21 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1uc3 h VAL 70 CO -0.02 0.13 -0.07 0.03 0.02 0.00 0.00 177.57 177.67 1uc3 h ARG 71 N 0.19 -0.18 -0.78 1.57 3.08 -1.16 0.11 114.38 117.21 1uc3 h ARG 71 Ca 0.07 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.19 1uc3 h ARG 71 Cb 0.13 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.17 1uc3 h ARG 71 CO -0.01 -0.08 0.51 2.35 -1.07 0.00 0.00 179.97 181.67 1uc3 h TRP 72 N -0.22 0.87 -0.13 3.04 -0.00 -0.87 0.41 115.95 119.05 1uc3 h TRP 72 Ca -0.02 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 58.81 1uc3 h TRP 72 Cb 0.18 -0.29 0.00 0.00 -0.00 0.00 0.00 29.16 29.05 1uc3 h TRP 72 CO -0.06 0.47 -0.25 1.25 -0.00 0.00 0.00 178.44 179.85 1uc3 h HIS 73 N 0.88 0.51 -0.45 2.65 2.76 -1.02 -2.18 115.15 118.29 1uc3 h HIS 73 Ca 0.33 -0.18 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1uc3 h HIS 73 Cb 0.18 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1uc3 h HIS 73 CO -0.00 0.87 0.01 0.00 -1.30 0.00 0.00 177.93 177.51 1uc3 h ALA 74 N 0.54 1.19 -0.55 5.26 0.00 -0.10 -1.85 119.26 123.75 1uc3 h ALA 74 Ca 0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1uc3 h ALA 74 Cb 0.84 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1uc3 h ALA 74 CO 0.06 0.53 0.02 0.93 0.00 0.00 0.00 179.25 180.79 1uc3 h GLU 75 N 0.68 0.95 -0.36 0.00 5.08 -0.16 -0.45 114.58 120.33 1uc3 h GLU 75 Ca 0.14 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1uc3 h GLU 75 Cb 0.40 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1uc3 h GLU 75 CO 0.01 0.95 0.00 0.00 -1.00 0.00 0.00 179.01 178.98 1uc3 h ARG 76 N 0.83 0.63 0.17 2.33 3.08 -1.16 -1.74 114.38 118.52 1uc3 h ARG 76 Ca 0.16 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1uc3 h ARG 76 Cb 0.51 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1uc3 h ARG 76 CO 0.02 0.74 -0.13 0.82 -1.07 0.00 0.00 179.97 180.35 1uc3 h ILE 77 N 0.44 0.72 0.00 2.04 2.04 -1.21 -1.61 117.51 119.94 1uc3 h ILE 77 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 1uc3 h ILE 77 Cb 0.45 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1uc3 h ILE 77 CO 0.02 0.00 -0.04 -0.29 0.00 0.00 0.00 178.15 177.83 1uc3 h ILE 78 N -0.30 1.00 0.00 -0.67 6.09 -1.04 -1.84 117.51 120.74 1uc3 h ILE 78 Ca -0.01 -0.15 -0.13 0.00 -1.37 0.00 0.00 64.86 63.20 1uc3 h ILE 78 Cb 0.27 1.08 -0.02 0.00 0.47 0.00 0.00 36.82 38.62 1uc3 h ILE 78 CO -0.01 0.04 -0.62 0.78 -3.07 0.00 0.00 178.15 175.27 1uc3 h ASN 79 N 0.00 0.00 -0.13 2.19 2.35 -0.80 -1.73 115.58 117.45 1uc3 h ASN 79 Ca -0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1uc3 h ASN 79 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1uc3 h ASN 79 CO 0.01 0.62 -0.38 0.00 -1.65 0.00 0.00 177.43 176.03 1uc3 h ALA 80 N 1.38 0.81 -0.10 -0.83 0.00 -0.46 -0.66 119.26 119.38 1uc3 h ALA 80 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1uc3 h ALA 80 Cb 1.34 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1uc3 h ALA 80 CO 0.08 0.65 -0.01 0.28 0.00 0.00 0.00 179.25 180.25 1uc3 h VAL 81 N 0.54 1.27 -0.88 0.00 2.07 -1.39 -2.20 116.25 115.66 1uc3 h VAL 81 Ca 0.05 -0.87 0.12 0.00 0.82 0.00 0.00 66.70 66.82 1uc3 h VAL 81 Cb 0.90 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 32.23 1uc3 h VAL 81 CO 0.08 0.25 0.50 -1.13 0.02 0.00 0.00 177.57 177.29 1uc3 h ASN 82 N -0.11 0.69 -0.60 0.57 -1.24 -1.10 -0.46 115.58 113.33 1uc3 h ASN 82 Ca 0.03 0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1uc3 h ASN 82 Cb 0.39 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 1uc3 h ASN 82 CO 0.01 0.35 0.22 0.44 -1.29 0.00 0.00 177.43 177.15 1uc3 h ASP 83 N 0.78 0.86 -0.68 1.15 3.32 -0.94 -1.45 116.42 119.45 1uc3 h ASP 83 Ca 0.45 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1uc3 h ASP 83 Cb 0.52 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1uc3 h ASP 83 CO -0.30 0.82 0.44 0.00 -1.72 0.00 0.00 179.24 178.47 1uc3 h ALA 84 N 1.07 0.87 -0.56 3.45 0.00 -0.55 -1.34 119.26 122.21 1uc3 h ALA 84 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1uc3 h ALA 84 Cb 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1uc3 h ALA 84 CO -0.01 0.31 0.29 0.28 0.00 0.00 0.00 179.25 180.12 1uc3 h VAL 85 N 0.93 1.18 0.00 0.00 2.07 -0.72 -0.64 116.25 119.06 1uc3 h VAL 85 Ca 0.25 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1uc3 h VAL 85 Cb -0.08 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1uc3 h VAL 85 CO -0.05 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.74 1uc3 n ALA 86 N -2.45 2.36 -0.92 1.67 0.00 -0.58 -3.39 120.51 117.20 1uc3 n ALA 86 Ca 0.05 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1uc3 n ALA 86 Cb 0.11 -1.47 0.24 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.42 3.64 0.13 0.00 7.64 -0.27 -4.67 113.62 118.67 1uc3 n SER 87 Ca 0.10 -2.93 0.11 0.00 1.01 0.00 0.00 58.87 57.15 1uc3 n SER 87 Cb 0.30 -0.50 0.49 0.00 -1.01 0.00 0.00 64.21 63.48 1uc3 n SER 87 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1uc3 n MET 88 N -0.51 0.15 -0.16 1.43 2.81 -1.09 -1.42 117.12 118.32 1uc3 n MET 88 Ca 0.20 0.50 0.10 0.00 -1.81 0.00 0.00 57.70 56.68 1uc3 n MET 88 Cb 0.82 -1.86 0.18 0.00 -0.71 0.00 0.00 33.22 31.65 1uc3 n MET 88 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1uc3 n ASP 89 N -2.15 3.14 -3.15 7.83 8.00 -1.26 -4.60 116.55 124.35 1uc3 n ASP 89 Ca 0.01 -1.91 -0.22 0.00 0.71 0.00 0.00 54.79 53.38 1uc3 n ASP 89 Cb 0.14 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 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 1.18 -0.04 -0.36 -2.24 -0.08 -0.51 -4.97 116.55 109.53 1uc3 n ASP 90 Ca 0.16 -2.80 0.26 0.00 -1.51 0.00 0.00 54.79 50.91 1uc3 n ASP 90 Cb 0.52 -0.39 0.52 0.00 2.34 0.00 0.00 41.12 44.11 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 1.97 0.32 0.43 5.18 2.02 -1.81 -1.00 112.91 120.02 1uc3 h THR 91 Ca 0.05 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1uc3 h THR 91 Cb 0.91 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1uc3 h THR 91 CO 0.45 0.05 -0.49 -0.08 0.37 0.00 0.00 175.52 175.82 1uc3 h GLU 92 N 0.30 -0.90 -0.23 6.66 4.81 -1.93 -0.34 114.58 122.94 1uc3 h GLU 92 Ca 0.72 0.06 0.03 0.00 -0.13 0.00 0.00 59.36 60.04 1uc3 h GLU 92 Cb 1.82 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 31.38 1uc3 h GLU 92 CO -0.49 -0.60 0.04 -0.22 -0.73 0.00 0.00 179.01 177.01 1uc3 h LYS 93 N -0.94 0.13 -0.39 1.92 3.64 -1.57 -1.66 116.57 117.70 1uc3 h LYS 93 Ca -0.05 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1uc3 h LYS 93 Cb 0.83 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.53 1uc3 h LYS 93 CO -0.09 0.09 -0.34 1.98 -2.27 0.00 0.00 179.45 178.81 1uc3 h MET 94 N 0.13 -0.26 -0.18 1.90 4.05 -1.15 -2.15 114.93 117.27 1uc3 h MET 94 Ca 0.11 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1uc3 h MET 94 Cb 0.11 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 1uc3 h MET 94 CO -0.14 -0.18 -0.04 0.77 0.23 0.00 0.00 176.91 177.55 1uc3 h SER 95 N -0.27 0.24 -0.39 1.39 0.02 -0.68 -2.69 113.55 111.16 1uc3 h SER 95 Ca 0.16 -0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1uc3 h SER 95 Cb 0.55 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1uc3 h SER 95 CO -0.54 0.32 0.11 0.24 -1.14 0.00 0.00 176.83 175.82 1uc3 h MET 96 N 0.26 0.61 -0.01 3.45 2.07 -0.64 -0.92 114.93 119.75 1uc3 h MET 96 Ca 0.06 -0.14 -0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1uc3 h MET 96 Cb 0.24 -0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 29.89 1uc3 h MET 96 CO 0.01 0.63 0.00 0.87 1.07 0.00 0.00 176.91 179.49 1uc3 h LYS 97 N 0.48 0.01 -0.90 1.72 1.57 -1.41 -2.29 116.57 115.74 1uc3 h LYS 97 Ca 0.12 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1uc3 h LYS 97 Cb 0.28 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1uc3 h LYS 97 CO -0.00 0.29 0.59 -0.07 -0.57 0.00 0.00 179.45 179.69 1uc3 h LEU 98 N -0.27 1.02 -0.52 2.94 3.38 -1.44 0.20 115.31 120.62 1uc3 h LEU 98 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1uc3 h LEU 98 Cb 0.28 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1uc3 h LEU 98 CO 0.00 0.73 0.31 0.03 0.09 0.00 0.00 178.44 179.59 1uc3 h ARG 99 N 1.20 0.72 -0.58 1.13 3.08 -1.13 0.34 114.38 119.14 1uc3 h ARG 99 Ca 0.34 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.35 1uc3 h ARG 99 Cb -0.10 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.76 1uc3 h ARG 99 CO -0.09 0.54 0.34 0.22 -1.07 0.00 0.00 179.97 179.91 1uc3 h ASP 100 N 0.70 0.54 -0.14 7.04 3.58 -0.79 -0.80 116.42 126.55 1uc3 h ASP 100 Ca 0.19 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 1uc3 h ASP 100 Cb 0.01 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1uc3 h ASP 100 CO -0.03 0.37 -0.05 0.25 -2.88 0.00 0.00 179.24 176.90 1uc3 h LEU 101 N 0.66 0.39 -0.58 2.28 5.85 -0.07 -2.14 115.31 121.71 1uc3 h LEU 101 Ca 0.24 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1uc3 h LEU 101 Cb 0.07 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1uc3 h LEU 101 CO -0.12 0.49 0.24 -1.28 -0.34 0.00 0.00 178.44 177.43 1uc3 h SER 102 N 0.39 0.79 -0.59 1.25 0.87 0.10 -1.87 113.55 114.50 1uc3 h SER 102 Ca 0.08 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1uc3 h SER 102 Cb 0.34 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1uc3 h SER 102 CO 0.01 0.73 0.38 1.23 -0.53 0.00 0.00 176.83 178.66 1uc3 h GLY 103 N 0.79 0.84 1.00 5.77 0.00 -0.62 -0.05 103.07 110.80 1uc3 h GLY 103 Ca 0.19 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1uc3 h GLY 103 CO -0.02 0.31 -0.14 0.50 0.00 0.00 0.00 176.54 177.20 1uc3 h LYS 104 N 0.81 0.80 -0.21 4.80 1.57 -1.07 -0.45 116.57 122.83 1uc3 h LYS 104 Ca 0.22 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1uc3 h LYS 104 Cb -0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1uc3 h LYS 104 CO -0.04 0.95 0.03 0.45 -0.57 0.00 0.00 179.45 180.26 1uc3 h HIS 105 N 0.61 0.36 0.14 -1.35 3.86 -0.72 0.24 115.15 118.30 1uc3 h HIS 105 Ca 0.10 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1uc3 h HIS 105 Cb 0.68 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1uc3 h HIS 105 CO 0.05 0.49 -0.07 0.00 0.86 0.00 0.00 177.93 179.26 1uc3 h ALA 106 N 0.83 -0.19 0.11 2.45 0.00 -1.05 0.43 119.26 121.85 1uc3 h ALA 106 Ca 0.06 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 1uc3 h ALA 106 Cb 0.32 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1uc3 h ALA 106 CO 0.00 -0.31 -1.20 0.87 0.00 0.00 0.00 179.25 178.62 1uc3 h LYS 107 N -0.78 0.33 0.00 0.00 1.57 -1.19 -3.33 116.57 113.16 1uc3 h LYS 107 Ca -0.02 -0.50 -0.16 0.00 -1.87 0.00 0.00 60.65 58.10 1uc3 h LYS 107 Cb 0.54 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1uc3 h LYS 107 CO 0.03 1.22 -1.38 0.43 -0.57 0.00 0.00 179.45 179.18 1uc3 n SER 108 N -3.60 1.36 0.20 0.86 7.64 -0.25 -4.65 113.62 115.19 1uc3 n SER 108 Ca -0.09 0.23 0.14 0.00 1.01 0.00 0.00 58.87 60.16 1uc3 n SER 108 Cb 0.99 -0.53 0.43 0.00 -1.01 0.00 0.00 64.21 64.09 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 -0.60 0.00 -6.34 1.43 0.04 -0.63 -3.47 116.94 107.36 1uc3 h PHE 109 Ca -0.25 0.00 -0.48 0.00 2.80 0.00 0.00 57.97 60.04 1uc3 h PHE 109 Cb 1.05 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.16 1uc3 h PHE 109 CO -0.14 0.00 -0.81 1.04 -0.60 0.00 0.00 178.31 177.80 1uc3 n GLN 110 N -2.78 -4.71 -3.15 1.51 6.02 0.14 -4.93 117.38 109.48 1uc3 n GLN 110 Ca 0.03 0.54 -0.39 0.00 -0.01 0.00 0.00 57.00 57.17 1uc3 n GLN 110 Cb 0.39 -5.21 -0.06 0.00 1.02 0.00 0.00 30.24 26.38 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 -3.49 4.81 -0.06 5.09 -7.23 -0.59 -4.99 120.40 113.94 1uc3 s VAL 111 Ca 0.41 1.36 -0.31 0.00 -1.81 0.00 0.00 61.98 61.63 1uc3 s VAL 111 Cb -0.21 -3.98 -0.09 0.00 0.56 0.00 0.00 36.38 32.65 1uc3 s VAL 111 CO 0.85 0.43 2.00 -0.67 -0.31 0.00 0.00 175.10 177.40 1uc3 n ASP 112 N 2.52 3.71 0.17 4.85 -0.08 -1.26 -4.77 116.55 121.68 1uc3 n ASP 112 Ca -0.06 0.79 0.11 0.00 -1.51 0.00 0.00 54.79 54.11 1uc3 n ASP 112 Cb 0.51 -1.47 0.58 0.00 2.34 0.00 0.00 41.12 43.08 1uc3 n ASP 112 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1uc3 n PRO 113 N 7.50 0.14 0.23 -0.67 -0.04 -1.26 -2.89 135.00 138.01 1uc3 n PRO 113 Ca 0.23 0.64 0.11 0.00 -0.04 0.00 0.00 63.50 64.44 1uc3 n PRO 113 Cb 0.37 -1.98 0.55 0.00 -0.04 0.00 0.00 33.50 32.40 1uc3 n PRO 113 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1uc3 h GLN 114 N 0.00 0.00 -0.00 0.54 3.07 -2.01 -3.16 115.11 113.54 1uc3 h GLN 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1uc3 h GLN 114 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 1uc3 h GLN 114 CO 0.00 0.20 -0.06 0.66 0.09 0.00 0.00 178.83 179.71 1uc3 n TYR 115 N -3.49 0.00 -0.06 0.06 4.01 -1.14 -3.99 117.16 112.56 1uc3 n TYR 115 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1uc3 n TYR 115 Cb 0.37 -0.29 -0.03 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.17 0.29 -0.51 -0.72 0.04 -1.79 -2.18 116.94 112.24 1uc3 h PHE 116 Ca 0.00 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 1uc3 h PHE 116 Cb 0.36 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 1uc3 h PHE 116 CO 0.00 0.19 0.27 1.57 -0.60 0.00 0.00 178.31 179.74 1uc3 h LYS 117 N 0.32 0.70 -0.45 1.51 2.10 -1.83 -0.82 116.57 118.11 1uc3 h LYS 117 Ca 0.09 -0.07 -0.08 0.00 -2.00 0.00 0.00 60.65 58.58 1uc3 h LYS 117 Cb -0.04 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 31.13 1uc3 h LYS 117 CO -0.02 0.53 -0.03 0.28 -2.00 0.00 0.00 179.45 178.21 1uc3 h VAL 118 N 0.71 1.27 -0.13 0.07 2.07 -1.65 0.53 116.25 119.11 1uc3 h VAL 118 Ca 0.18 -1.10 -0.17 0.00 0.82 0.00 0.00 66.70 66.43 1uc3 h VAL 118 Cb 0.04 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1uc3 h VAL 118 CO -0.03 0.38 -0.64 0.25 0.02 0.00 0.00 177.57 177.54 1uc3 h LEU 119 N 0.65 0.58 -0.98 2.57 5.85 -1.17 -2.72 115.31 120.08 1uc3 h LEU 119 Ca 0.12 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 1uc3 h LEU 119 Cb 0.54 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1uc3 h LEU 119 CO 0.03 1.07 0.28 0.00 -0.34 0.00 0.00 178.44 179.48 1uc3 h ALA 120 N 0.93 1.19 -0.60 1.25 0.00 -0.95 -2.04 119.26 119.03 1uc3 h ALA 120 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1uc3 h ALA 120 Cb 1.21 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1uc3 h ALA 120 CO 0.12 0.59 0.30 0.00 0.00 0.00 0.00 179.25 180.25 1uc3 h ALA 121 N 1.31 0.77 -0.68 0.00 0.00 -0.68 -0.43 119.26 119.57 1uc3 h ALA 121 Ca 0.23 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1uc3 h ALA 121 Cb 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1uc3 h ALA 121 CO -0.02 0.33 0.31 0.28 0.00 0.00 0.00 179.25 180.15 1uc3 h VAL 122 N 0.82 1.22 -0.25 0.00 2.07 -1.16 -0.23 116.25 118.72 1uc3 h VAL 122 Ca 0.21 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1uc3 h VAL 122 Cb 0.11 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1uc3 h VAL 122 CO -0.03 0.27 0.05 0.40 0.02 0.00 0.00 177.57 178.28 1uc3 h ILE 123 N 0.96 1.22 -0.52 4.57 2.04 -0.68 -1.14 117.51 123.97 1uc3 h ILE 123 Ca 0.23 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1uc3 h ILE 123 Cb 0.12 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 1uc3 h ILE 123 CO -0.03 0.23 0.25 0.00 0.00 0.00 0.00 178.15 178.60 1uc3 h ALA 124 N 0.87 0.67 0.00 1.87 0.00 -0.77 0.16 119.26 122.05 1uc3 h ALA 124 Ca 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1uc3 h ALA 124 Cb 0.31 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1uc3 h ALA 124 CO 0.00 0.23 -0.09 0.22 0.00 0.00 0.00 179.25 179.62 1uc3 h ASP 125 N 0.69 0.00 0.45 0.00 3.58 -0.91 0.28 116.42 120.51 1uc3 h ASP 125 Ca 0.18 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.32 1uc3 h ASP 125 Cb 0.12 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.15 1uc3 h ASP 125 CO -0.02 0.09 -1.64 0.74 -2.88 0.00 0.00 179.24 175.53 1uc3 h THR 126 N 0.00 0.99 0.01 2.25 2.02 -0.29 -3.34 112.91 114.55 1uc3 h THR 126 Ca -0.00 -2.73 -0.22 0.00 0.77 0.00 0.00 66.41 64.23 1uc3 h THR 126 Cb 0.27 2.60 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 1uc3 h THR 126 CO 0.01 0.73 -1.21 0.58 0.37 0.00 0.00 175.52 176.00 1uc3 h VAL 127 N 0.04 0.96 -0.13 3.16 2.07 -0.26 -3.46 116.25 118.63 1uc3 h VAL 127 Ca -0.27 -2.20 -0.25 0.00 0.82 0.00 0.00 66.70 64.80 1uc3 h VAL 127 Cb 2.00 2.31 -0.16 0.00 -1.52 0.00 0.00 31.29 33.92 1uc3 h VAL 127 CO 0.12 0.36 -0.51 0.00 0.02 0.00 0.00 177.57 177.55 1uc3 n ALA 128 N -3.34 -0.91 -1.67 1.67 0.00 0.88 -4.80 120.51 112.34 1uc3 n ALA 128 Ca -0.31 -1.56 -0.61 0.00 0.00 0.00 0.00 53.44 50.97 1uc3 n ALA 128 Cb 0.69 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 1.06 -0.43 0.00 0.00 0.00 -0.55 -0.93 120.51 119.66 1uc3 n ALA 129 Ca 0.09 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1uc3 n ALA 129 Cb 0.66 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 4.56 2.99 3.67 0.00 0.00 -1.26 -5.02 105.19 110.13 1uc3 n GLY 130 Ca 0.31 -0.88 -0.46 0.00 0.00 0.00 0.00 46.02 44.99 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 0.56 3.77 0.15 1.61 2.03 -0.10 -4.83 116.55 119.74 1uc3 n ASP 131 Ca 0.00 0.93 0.13 0.00 0.52 0.00 0.00 54.79 56.37 1uc3 n ASP 131 Cb 0.00 -1.44 0.37 0.00 -0.72 0.00 0.00 41.12 39.33 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 9.95 1.00 -0.31 -1.67 0.00 -1.96 -3.00 119.26 123.26 1uc3 h ALA 132 Ca -0.49 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.26 1uc3 h ALA 132 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1uc3 h ALA 132 CO 0.95 0.00 -0.44 0.78 0.00 0.00 0.00 179.25 180.53 1uc3 h GLY 133 N 3.95 0.88 0.94 0.00 0.00 -1.91 -1.87 103.07 105.07 1uc3 h GLY 133 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 47.33 46.20 1uc3 h GLY 133 CO 0.00 0.85 -0.72 -2.75 0.00 0.00 0.00 176.54 173.91 1uc3 h PHE 134 N 0.65 0.78 -0.57 5.60 3.57 -1.86 -3.07 116.94 122.05 1uc3 h PHE 134 Ca 0.04 -0.41 0.06 0.00 3.53 0.00 0.00 57.97 61.20 1uc3 h PHE 134 Cb 1.02 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1uc3 h PHE 134 CO 0.06 1.22 0.38 0.93 -2.23 0.00 0.00 178.31 178.67 1uc3 h GLU 135 N 0.11 0.52 -0.36 1.11 5.08 -1.52 0.12 114.58 119.64 1uc3 h GLU 135 Ca -0.08 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1uc3 h GLU 135 Cb 1.40 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1uc3 h GLU 135 CO 0.14 0.34 0.21 -0.22 -1.00 0.00 0.00 179.01 178.49 1uc3 h LYS 136 N 0.53 0.42 -0.10 2.33 3.64 -1.26 0.18 116.57 122.32 1uc3 h LYS 136 Ca 0.24 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1uc3 h LYS 136 Cb 0.28 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1uc3 h LYS 136 CO -0.07 0.28 0.06 1.25 -2.27 0.00 0.00 179.45 178.70 1uc3 h LEU 137 N 0.43 0.12 -1.39 5.20 6.46 -0.76 -0.92 115.31 124.46 1uc3 h LEU 137 Ca 0.14 -0.03 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1uc3 h LEU 137 Cb -0.00 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.85 1uc3 h LEU 137 CO -0.06 0.12 0.47 0.24 -0.62 0.00 0.00 178.44 178.59 1uc3 h MET 138 N 0.11 0.72 -0.28 1.25 2.86 -0.60 -0.23 114.93 118.76 1uc3 h MET 138 Ca 0.04 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1uc3 h MET 138 Cb 0.02 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1uc3 h MET 138 CO -0.01 0.48 0.12 0.77 1.06 0.00 0.00 176.91 179.33 1uc3 h SER 139 N 0.74 0.39 0.02 1.22 0.02 0.10 0.12 113.55 116.17 1uc3 h SER 139 Ca 0.31 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1uc3 h SER 139 Cb 0.27 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1uc3 h SER 139 CO -0.10 0.44 -0.26 0.24 -1.14 0.00 0.00 176.83 176.01 1uc3 h MET 140 N 0.31 -0.40 -0.39 3.45 2.07 0.17 0.24 114.93 120.39 1uc3 h MET 140 Ca 0.09 0.03 0.07 0.00 -2.07 0.00 0.00 59.70 57.82 1uc3 h MET 140 Cb 0.17 0.09 -0.06 0.00 -1.87 0.00 0.00 31.60 29.93 1uc3 h MET 140 CO -0.01 -0.26 0.02 0.82 1.07 0.00 0.00 176.91 178.55 1uc3 h ILE 141 N -0.41 0.73 -0.58 -1.22 2.04 -0.82 -0.44 117.51 116.82 1uc3 h ILE 141 Ca 0.06 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1uc3 h ILE 141 Cb 0.49 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1uc3 h ILE 141 CO -0.22 0.02 0.19 0.00 0.00 0.00 0.00 178.15 178.15 1uc3 h ILE 143 N 0.85 1.27 -0.01 0.00 2.04 -0.30 -2.62 117.51 118.73 1uc3 h ILE 143 Ca 0.19 -1.18 -0.11 0.00 1.00 0.00 0.00 64.86 64.76 1uc3 h ILE 143 Cb 0.23 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1uc3 h ILE 143 CO -0.01 0.41 -0.51 -0.07 0.00 0.00 0.00 178.15 177.97 1uc3 h LEU 144 N 0.74 0.03 -0.16 1.44 3.38 -0.65 -2.61 115.31 117.49 1uc3 h LEU 144 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1uc3 h LEU 144 Cb 0.61 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1uc3 h LEU 144 CO 0.04 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.29 1uc3 n LEU 145 N -3.93 0.39 -0.00 1.67 4.77 0.22 -2.73 117.00 117.39 1uc3 n LEU 145 Ca -0.02 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.61 1uc3 n LEU 145 Cb 0.53 -0.46 -0.11 0.00 -2.33 0.00 0.00 43.42 41.05 1uc3 n LEU 145 CO 0.41 -0.23 -0.19 0.54 -1.33 0.00 0.00 177.39 176.59 1uc3 n ARG 146 N -1.89 1.07 -0.31 3.23 1.74 -1.01 -4.60 116.66 114.88 1uc3 n ARG 146 Ca 0.05 -0.04 0.23 0.00 -0.77 0.00 0.00 57.85 57.32 1uc3 n ARG 146 Cb 0.31 -1.35 0.52 0.00 -1.02 0.00 0.00 32.46 30.92 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 0.00 0.42 0.46 0.55 4.64 -1.27 0.14 113.55 118.48 1uc3 h SER 147 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1uc3 h SER 147 Cb 0.50 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1uc3 h SER 147 CO 0.00 0.09 -0.14 0.00 -0.87 0.00 0.00 176.83 175.91 1uc3 n ALA 148 N -2.49 2.80 1.78 5.18 0.00 -1.26 -5.09 120.51 121.41 1uc3 n ALA 148 Ca 0.25 -0.26 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1uc3 n ALA 148 Cb 0.88 -1.33 0.84 0.00 0.00 0.00 0.00 19.45 19.85 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16