#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 4.71 0.16 4.25 1.01 -1.26 -4.99 121.20 125.07 1uc3 s ILE 2 Ca 0.00 1.66 0.10 0.00 0.00 0.00 0.00 60.65 62.41 1uc3 s ILE 2 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1uc3 s ILE 2 CO 0.00 0.36 -0.22 0.68 0.00 0.00 0.00 174.94 175.77 1uc3 s VAL 3 N -0.08 2.55 -0.15 2.92 -7.23 -1.26 -5.02 120.40 112.13 1uc3 s VAL 3 Ca 0.39 -1.79 0.18 0.00 -1.81 0.00 0.00 61.98 58.95 1uc3 s VAL 3 Cb -0.21 -2.19 0.35 0.00 0.56 0.00 0.00 36.38 34.90 1uc3 s VAL 3 CO 0.23 -0.01 1.22 -0.90 -0.31 0.00 0.00 175.10 175.33 1uc3 n ASP 4 N 0.53 2.70 -4.06 4.85 5.68 -1.26 -4.41 116.55 120.59 1uc3 n ASP 4 Ca -0.14 -3.11 -0.10 0.00 -0.50 0.00 0.00 54.79 50.93 1uc3 n ASP 4 Cb 0.54 -0.46 -0.08 0.00 -1.14 0.00 0.00 41.12 39.98 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 -2.66 0.09 1.19 -1.12 1.04 -1.26 -4.22 113.70 106.76 1uc3 s SER 5 Ca 0.35 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.72 1uc3 s SER 5 Cb 0.30 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1uc3 s SER 5 CO 0.04 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1uc3 n GLY 6 N -0.23 2.21 3.27 7.32 0.00 -1.26 -4.87 105.19 111.62 1uc3 n GLY 6 Ca -0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.13 0.01 1.61 0.15 -1.26 -5.02 113.70 105.06 1uc3 s SER 7 Ca 0.00 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.43 1uc3 s SER 7 Cb 0.00 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.68 1uc3 s SER 7 CO 0.00 -0.70 -0.16 0.68 1.20 0.00 0.00 173.24 174.26 1uc3 s VAL 8 N -3.06 1.26 0.69 4.45 -7.23 -1.26 -5.13 120.40 110.12 1uc3 s VAL 8 Ca -0.01 -0.84 -0.16 0.00 -1.81 0.00 0.00 61.98 59.15 1uc3 s VAL 8 Cb 0.01 -1.08 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 1uc3 s VAL 8 CO -0.07 0.23 0.92 0.00 -0.31 0.00 0.00 175.10 175.87 1uc3 n ALA 9 N 2.34 -0.28 -1.29 1.32 0.00 -1.26 -4.93 120.51 116.41 1uc3 n ALA 9 Ca -0.16 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 52.77 1uc3 n ALA 9 Cb 0.54 -2.09 0.06 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.54 0.32 -2.81 0.00 -0.02 -1.26 -4.92 135.00 124.76 1uc3 n PRO 10 Ca 0.13 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1uc3 n PRO 10 Cb 0.49 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.56 4.32 0.97 2.45 1.43 -1.26 -5.04 118.68 122.11 1uc3 s LEU 11 Ca 0.65 1.47 -0.13 0.00 -1.03 0.00 0.00 54.13 55.09 1uc3 s LEU 11 Cb -0.37 -3.41 0.17 0.00 0.03 0.00 0.00 46.19 42.61 1uc3 s LEU 11 CO 0.58 -0.27 1.13 -0.94 0.23 0.00 0.00 176.35 177.08 1uc3 s SER 12 N 0.99 2.92 0.22 2.29 1.04 -1.26 -4.86 113.70 115.04 1uc3 s SER 12 Ca 0.46 0.97 -0.06 0.00 0.48 0.00 0.00 55.95 57.81 1uc3 s SER 12 Cb -0.19 -1.52 0.19 0.00 0.10 0.00 0.00 66.02 64.60 1uc3 s SER 12 CO 0.22 -2.92 1.69 0.00 0.98 0.00 0.00 173.24 173.21 1uc3 h ALA 13 N -1.75 0.95 0.04 5.32 0.00 -1.99 -2.14 119.26 119.69 1uc3 h ALA 13 Ca -0.51 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.10 1uc3 h ALA 13 Cb 1.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1uc3 h ALA 13 CO 0.57 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 180.43 1uc3 h ALA 14 N 1.12 -0.05 -0.79 0.00 0.00 -1.99 -1.30 119.26 116.25 1uc3 h ALA 14 Ca 0.15 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 55.09 1uc3 h ALA 14 Cb 0.53 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1uc3 h ALA 14 CO 0.03 -0.35 0.55 0.93 0.00 0.00 0.00 179.25 180.41 1uc3 h GLU 15 N -0.42 0.15 -0.09 0.00 5.08 -1.90 0.56 114.58 117.98 1uc3 h GLU 15 Ca -0.01 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1uc3 h GLU 15 Cb 0.38 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1uc3 h GLU 15 CO 0.01 0.10 -0.79 0.87 -1.00 0.00 0.00 179.01 178.20 1uc3 h LYS 16 N 0.16 0.69 -0.23 2.33 1.57 -1.06 -1.62 116.57 118.41 1uc3 h LYS 16 Ca 0.39 -0.62 -0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1uc3 h LYS 16 Cb 1.29 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 1uc3 h LYS 16 CO -0.06 1.23 -0.29 1.15 -0.57 0.00 0.00 179.45 180.90 1uc3 h THR 17 N 0.36 1.28 -0.16 -0.16 2.02 0.40 -1.70 112.91 114.94 1uc3 h THR 17 Ca -0.07 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1uc3 h THR 17 Cb 1.44 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 1uc3 h THR 17 CO 0.16 0.42 0.01 0.50 0.37 0.00 0.00 175.52 176.98 1uc3 h LYS 18 N 0.40 0.28 -0.59 6.66 3.11 0.03 -2.40 116.57 124.06 1uc3 h LYS 18 Ca 0.05 -0.09 -0.04 0.00 -2.81 0.00 0.00 60.65 57.77 1uc3 h LYS 18 Cb 0.72 -0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.89 1uc3 h LYS 18 CO 0.05 0.49 0.21 0.82 -2.81 0.00 0.00 179.45 178.22 1uc3 h ILE 19 N 0.04 1.23 -0.19 2.00 2.04 -1.19 -1.93 117.51 119.51 1uc3 h ILE 19 Ca 0.05 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1uc3 h ILE 19 Cb 0.36 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1uc3 h ILE 19 CO 0.01 0.29 0.12 0.03 0.00 0.00 0.00 178.15 178.60 1uc3 h ARG 20 N 0.83 0.25 -0.06 2.37 3.08 -1.26 0.12 114.38 119.72 1uc3 h ARG 20 Ca 0.19 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 1uc3 h ARG 20 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1uc3 h ARG 20 CO -0.01 0.19 -0.42 0.66 -1.07 0.00 0.00 179.97 179.31 1uc3 h SER 21 N 0.25 0.14 1.28 7.04 4.64 -1.34 -1.10 113.55 124.44 1uc3 h SER 21 Ca 0.07 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1uc3 h SER 21 Cb -0.01 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 1uc3 h SER 21 CO -0.01 0.55 -0.73 0.00 -0.87 0.00 0.00 176.83 175.77 1uc3 h ALA 22 N 1.46 0.53 0.02 5.18 0.00 -1.13 -3.32 119.26 122.00 1uc3 h ALA 22 Ca 0.01 -0.66 -0.25 0.00 0.00 0.00 0.00 54.91 54.01 1uc3 h ALA 22 Cb 0.80 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1uc3 h ALA 22 CO 0.06 0.90 -1.26 2.35 0.00 0.00 0.00 179.25 181.30 1uc3 h TRP 23 N 0.00 0.07 -0.83 0.00 2.91 -0.52 -3.37 115.95 114.22 1uc3 h TRP 23 Ca -0.01 -0.05 0.18 0.00 1.13 0.00 0.00 58.89 60.13 1uc3 h TRP 23 Cb 1.55 -0.00 -0.11 0.00 -0.51 0.00 0.00 29.16 30.09 1uc3 h TRP 23 CO 0.00 1.06 0.34 0.00 -1.03 0.00 0.00 178.44 178.81 1uc3 h ALA 24 N 0.92 1.23 -0.19 2.65 0.00 -1.30 -0.94 119.26 121.64 1uc3 h ALA 24 Ca -0.12 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1uc3 h ALA 24 Cb 1.87 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1uc3 h ALA 24 CO 0.12 -0.26 -0.01 -1.35 0.00 0.00 0.00 179.25 177.76 1uc3 h PRO 25 N 0.44 0.34 0.58 0.00 0.11 -1.76 -3.26 132.00 128.44 1uc3 h PRO 25 Ca 0.48 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 1uc3 h PRO 25 Cb 0.81 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 1uc3 h PRO 25 CO -0.46 0.55 -0.49 0.28 -0.21 0.00 0.00 178.00 177.66 1uc3 h VAL 26 N 0.08 0.03 -3.48 3.15 2.07 -1.58 -3.37 116.25 113.15 1uc3 h VAL 26 Ca 0.05 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 67.14 1uc3 h VAL 26 Cb 0.40 0.03 0.19 0.00 -1.52 0.00 0.00 31.29 30.39 1uc3 h VAL 26 CO 0.01 0.00 0.08 -0.47 0.02 0.00 0.00 177.57 177.21 1uc3 s TYR 27 N -5.90 1.29 0.00 1.57 6.14 -0.41 -1.81 117.35 118.23 1uc3 s TYR 27 Ca -0.18 0.92 0.00 0.00 0.64 0.00 0.00 57.07 58.45 1uc3 s TYR 27 Cb 0.04 -3.19 0.00 0.00 0.42 0.00 0.00 41.96 39.23 1uc3 s TYR 27 CO 0.61 -3.68 0.00 -1.13 0.64 0.00 0.00 175.55 171.99 1uc3 n SER 28 N -4.73 0.00 -0.47 4.32 3.41 -1.26 -4.20 113.62 110.69 1uc3 n SER 28 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1uc3 n SER 28 Cb 0.57 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 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 0.13 4.04 4.05 -1.04 -4.93 115.26 117.50 1uc3 n ASN 29 Ca 0.00 -1.54 0.16 0.00 0.45 0.00 0.00 54.58 53.65 1uc3 n ASN 29 Cb 0.00 -0.11 0.72 0.00 1.23 0.00 0.00 39.78 41.62 1uc3 n ASN 29 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1uc3 h TYR 30 N 0.00 0.00 -0.08 1.20 -0.00 -1.52 -1.76 116.97 114.80 1uc3 h TYR 30 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.74 1uc3 h TYR 30 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.93 1uc3 h TYR 30 CO -0.06 0.00 -0.01 0.93 -0.00 0.00 0.00 178.16 179.02 1uc3 h GLU 31 N 0.00 0.01 0.04 0.10 3.07 -1.91 0.33 114.58 116.21 1uc3 h GLU 31 Ca 0.14 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1uc3 h GLU 31 Cb 0.61 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1uc3 h GLU 31 CO -0.00 0.01 -0.02 1.15 -1.40 0.00 0.00 179.01 178.75 1uc3 h THR 32 N 0.01 1.22 -0.01 1.13 2.02 -1.77 -2.68 112.91 112.83 1uc3 h THR 32 Ca 0.04 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.50 1uc3 h THR 32 Cb 0.05 2.22 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1uc3 h THR 32 CO -0.08 0.38 -0.00 0.77 0.37 0.00 0.00 175.52 176.96 1uc3 h SER 33 N -0.92 0.01 0.01 4.18 4.64 -1.43 -0.47 113.55 119.56 1uc3 h SER 33 Ca -0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1uc3 h SER 33 Cb 0.66 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1uc3 h SER 33 CO 0.01 0.01 -0.00 1.23 -0.87 0.00 0.00 176.83 177.21 1uc3 h GLY 34 N 0.03 -0.01 1.00 -0.77 0.00 -0.41 -2.42 103.07 100.49 1uc3 h GLY 34 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1uc3 h GLY 34 CO 0.00 -0.00 0.31 -2.08 0.00 0.00 0.00 176.54 174.77 1uc3 h VAL 35 N -0.48 1.12 -0.14 4.60 2.07 -1.06 -2.35 116.25 120.02 1uc3 h VAL 35 Ca -0.00 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1uc3 h VAL 35 Cb 0.47 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1uc3 h VAL 35 CO 0.00 0.12 -0.06 0.44 0.02 0.00 0.00 177.57 178.09 1uc3 h ASP 36 N 0.64 -0.21 -0.21 0.57 3.32 -1.14 -0.79 116.42 118.60 1uc3 h ASP 36 Ca 0.17 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.32 1uc3 h ASP 36 Cb -0.07 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1uc3 h ASP 36 CO -0.04 -0.08 -0.09 0.40 -1.72 0.00 0.00 179.24 177.71 1uc3 h ILE 37 N -0.05 0.71 -0.59 0.35 2.04 -1.23 0.43 117.51 119.18 1uc3 h ILE 37 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 1uc3 h ILE 37 Cb 0.16 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1uc3 h ILE 37 CO -0.17 0.00 0.11 0.25 0.00 0.00 0.00 178.15 178.34 1uc3 h LEU 38 N -0.05 0.92 -0.66 1.44 5.85 -1.22 -0.53 115.31 121.06 1uc3 h LEU 38 Ca 0.11 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1uc3 h LEU 38 Cb 0.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1uc3 h LEU 38 CO -0.25 0.94 -0.24 0.58 -0.34 0.00 0.00 178.44 179.14 1uc3 h VAL 39 N 0.86 1.27 -0.22 1.05 2.07 -0.84 0.27 116.25 120.72 1uc3 h VAL 39 Ca 0.18 -1.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1uc3 h VAL 39 Cb 0.40 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1uc3 h VAL 39 CO 0.01 0.45 0.12 0.50 0.02 0.00 0.00 177.57 178.67 1uc3 h LYS 40 N 0.69 0.30 0.48 1.57 3.64 0.12 -1.25 116.57 122.13 1uc3 h LYS 40 Ca 0.09 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1uc3 h LYS 40 Cb 0.76 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1uc3 h LYS 40 CO 0.06 0.28 -0.24 0.35 -2.27 0.00 0.00 179.45 177.63 1uc3 h PHE 41 N 0.25 -0.62 0.11 1.91 3.57 -0.74 -2.70 116.94 118.71 1uc3 h PHE 41 Ca 0.08 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1uc3 h PHE 41 Cb 0.06 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 1uc3 h PHE 41 CO -0.04 -0.38 -0.39 0.35 -2.23 0.00 0.00 178.31 175.62 1uc3 h PHE 42 N -0.66 -1.08 0.00 0.41 3.57 -0.34 -1.53 116.94 117.31 1uc3 h PHE 42 Ca -0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1uc3 h PHE 42 Cb 0.51 0.46 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1uc3 h PHE 42 CO -0.05 -0.49 -0.05 1.79 -2.23 0.00 0.00 178.31 177.28 1uc3 h THR 43 N -0.61 0.45 -0.01 4.41 1.35 -1.27 -2.68 112.91 114.54 1uc3 h THR 43 Ca 0.03 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1uc3 h THR 43 Cb 0.65 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1uc3 h THR 43 CO -0.24 0.05 -0.52 -1.20 -0.25 0.00 0.00 175.52 173.36 1uc3 n SER 44 N -3.62 1.39 -3.23 5.36 7.64 -0.95 -4.55 113.62 115.66 1uc3 n SER 44 Ca -0.02 -1.11 -0.25 0.00 1.01 0.00 0.00 58.87 58.50 1uc3 n SER 44 Cb 0.15 0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1uc3 n SER 44 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1uc3 n THR 45 N -0.63 1.39 -0.31 0.44 -1.04 -0.62 -4.97 114.28 108.54 1uc3 n THR 45 Ca 0.09 -4.90 0.03 0.00 -2.04 0.00 0.00 64.05 57.23 1uc3 n THR 45 Cb 0.39 -1.69 0.11 0.00 -1.82 0.00 0.00 70.33 67.32 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 3.74 -0.01 0.00 -2.82 0.11 -1.80 0.24 132.00 131.46 1uc3 h PRO 46 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1uc3 h PRO 46 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1uc3 h PRO 46 CO 0.69 -0.00 0.19 0.00 -0.21 0.00 0.00 178.00 178.67 1uc3 h ALA 47 N 1.81 1.17 -0.47 -0.75 0.00 -1.93 0.29 119.26 119.39 1uc3 h ALA 47 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1uc3 h ALA 47 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1uc3 h ALA 47 CO -0.91 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 178.17 1uc3 n ALA 48 N -1.84 2.37 0.13 0.00 0.00 0.84 -4.44 120.51 117.57 1uc3 n ALA 48 Ca -0.02 -1.09 -0.01 0.00 0.00 0.00 0.00 53.44 52.32 1uc3 n ALA 48 Cb 0.24 -0.79 0.12 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.39 -3.14 115.11 119.71 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 0.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.70 1uc3 h GLN 49 CO 0.00 0.66 0.00 -0.85 -0.67 0.00 0.00 178.83 177.97 1uc3 n GLU 50 N -3.65 0.02 -0.19 1.46 0.28 -1.26 -2.14 120.64 115.16 1uc3 n GLU 50 Ca -0.01 0.32 0.06 0.00 -0.16 0.00 0.00 57.16 57.38 1uc3 n GLU 50 Cb 0.68 -1.55 0.18 0.00 1.43 0.00 0.00 31.44 32.18 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 -1.59 0.49 -3.21 -1.84 3.72 -1.19 -4.08 117.46 109.76 1uc3 n PHE 51 Ca 0.03 -0.25 -0.25 0.00 -0.05 0.00 0.00 57.45 56.93 1uc3 n PHE 51 Cb 0.14 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.61 2.10 -0.30 1.38 3.01 -0.91 -4.94 117.46 118.41 1uc3 n PHE 52 Ca 0.13 -3.91 0.13 0.00 1.01 0.00 0.00 57.45 54.81 1uc3 n PHE 52 Cb 0.32 -0.46 0.28 0.00 -0.01 0.00 0.00 39.48 39.61 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 3.64 0.17 -0.11 -1.08 0.11 -1.79 -0.61 132.00 132.34 1uc3 h PRO 53 Ca 0.13 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.25 1uc3 h PRO 53 Cb 0.73 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1uc3 h PRO 53 CO 0.68 0.11 0.08 0.87 -0.21 0.00 0.00 178.00 179.53 1uc3 h LYS 54 N 0.18 0.05 -0.00 1.05 1.57 -1.95 -2.65 116.57 114.82 1uc3 h LYS 54 Ca 0.55 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1uc3 h LYS 54 Cb 1.10 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1uc3 h LYS 54 CO -0.68 0.03 -0.06 1.19 -0.57 0.00 0.00 179.45 179.36 1uc3 n PHE 55 N -4.51 0.00 -1.68 -1.35 3.72 -0.24 -4.90 117.46 108.49 1uc3 n PHE 55 Ca -0.01 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.95 1uc3 n PHE 55 Cb 0.16 -0.43 -0.04 0.00 -0.94 0.00 0.00 39.48 38.23 1uc3 n PHE 55 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1uc3 n LYS 56 N -1.45 2.39 0.00 -1.08 4.81 -1.00 -2.42 118.16 119.42 1uc3 n LYS 56 Ca 0.08 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1uc3 n LYS 56 Cb 0.32 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.70 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 3.74 0.89 3.73 3.14 0.00 -1.26 -5.08 105.19 110.35 1uc3 n GLY 57 Ca 0.17 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1uc3 n GLY 57 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uc3 s MET 58 N 0.00 4.66 0.00 1.61 -1.94 -1.01 -4.96 119.30 117.65 1uc3 s MET 58 Ca 0.00 1.52 0.00 0.00 -1.71 0.00 0.00 55.69 55.50 1uc3 s MET 58 Cb 0.00 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.48 1uc3 s MET 58 CO 0.00 0.15 0.95 0.25 -0.01 0.00 0.00 175.02 176.37 1uc3 n THR 59 N 2.81 0.90 -3.78 2.05 -2.24 -1.26 -5.05 114.28 107.72 1uc3 n THR 59 Ca 0.03 -0.95 -0.13 0.00 -2.27 0.00 0.00 64.05 60.73 1uc3 n THR 59 Cb 0.49 0.55 -0.09 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.90 -0.19 0.28 3.42 1.04 -1.26 -5.01 113.70 111.08 1uc3 s SER 60 Ca 0.00 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1uc3 s SER 60 Cb 0.00 0.37 0.57 0.00 0.10 0.00 0.00 66.02 67.06 1uc3 s SER 60 CO 0.00 -0.36 1.83 0.00 0.98 0.00 0.00 173.24 175.69 1uc3 h ALA 61 N 4.33 1.53 -0.72 5.32 0.00 -1.96 -1.09 119.26 126.67 1uc3 h ALA 61 Ca -0.29 0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.77 1uc3 h ALA 61 Cb 1.18 -0.20 -0.13 0.00 0.00 0.00 0.00 17.79 18.64 1uc3 h ALA 61 CO 0.38 0.21 -0.34 -0.44 0.00 0.00 0.00 179.25 179.06 1uc3 h ASP 62 N 0.98 -1.19 -0.08 0.00 5.19 -2.01 0.56 116.42 119.87 1uc3 h ASP 62 Ca 0.51 0.25 -0.12 0.00 -0.62 0.00 0.00 57.03 57.05 1uc3 h ASP 62 Cb 0.52 0.62 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1uc3 h ASP 62 CO -0.28 -0.30 -0.35 1.56 -3.12 0.00 0.00 179.24 176.76 1uc3 h GLN 63 N -0.10 0.57 -0.25 3.56 4.20 -1.63 -3.19 115.11 118.26 1uc3 h GLN 63 Ca 0.28 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1uc3 h GLN 63 Cb 0.57 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1uc3 h GLN 63 CO -0.78 0.84 0.16 -0.07 -0.67 0.00 0.00 178.83 178.31 1uc3 h LEU 64 N 0.48 0.29 -1.81 1.46 3.38 -0.30 -1.98 115.31 116.83 1uc3 h LEU 64 Ca 0.05 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1uc3 h LEU 64 Cb 0.83 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1uc3 h LEU 64 CO 0.07 0.22 -0.15 0.11 0.09 0.00 0.00 178.44 178.79 1uc3 h LYS 65 N 0.33 0.00 0.00 1.13 1.57 -1.26 -2.64 116.57 115.70 1uc3 h LYS 65 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1uc3 h LYS 65 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1uc3 h LYS 65 CO -0.02 0.15 -0.51 1.63 -0.57 0.00 0.00 179.45 180.13 1uc3 n LYS 66 N -3.78 0.10 -2.38 3.15 5.02 -0.94 -4.81 118.16 114.52 1uc3 n LYS 66 Ca -0.02 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 1uc3 n LYS 66 Cb 0.25 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -3.41 7.10 0.18 4.39 0.15 -0.79 -4.95 113.70 116.37 1uc3 s SER 67 Ca 0.10 2.25 -0.09 0.00 0.70 0.00 0.00 55.95 58.90 1uc3 s SER 67 Cb 0.16 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.91 1uc3 s SER 67 CO 0.70 -0.35 1.60 0.00 1.20 0.00 0.00 173.24 176.39 1uc3 h ALA 68 N 5.05 0.78 -0.48 5.45 0.00 -1.91 -1.80 119.26 126.34 1uc3 h ALA 68 Ca -0.45 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.08 1uc3 h ALA 68 Cb 1.21 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1uc3 h ALA 68 CO 0.73 0.67 0.18 -0.44 0.00 0.00 0.00 179.25 180.40 1uc3 h ASP 69 N 0.92 0.68 0.50 0.00 3.32 -1.95 -0.52 116.42 119.37 1uc3 h ASP 69 Ca 0.14 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1uc3 h ASP 69 Cb 0.67 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1uc3 h ASP 69 CO 0.05 0.67 -0.24 0.58 -1.72 0.00 0.00 179.24 178.58 1uc3 h VAL 70 N 0.64 0.50 -0.40 -1.35 2.07 -1.80 -0.72 116.25 115.19 1uc3 h VAL 70 Ca 0.16 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.71 1uc3 h VAL 70 Cb 0.22 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1uc3 h VAL 70 CO -0.01 0.01 0.03 0.03 0.02 0.00 0.00 177.57 177.64 1uc3 h ARG 71 N -0.70 0.13 -0.31 1.57 3.08 -1.24 0.31 114.38 117.23 1uc3 h ARG 71 Ca -0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1uc3 h ARG 71 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1uc3 h ARG 71 CO 0.11 0.09 0.18 2.35 -1.07 0.00 0.00 179.97 181.63 1uc3 h TRP 72 N 0.14 0.33 -0.61 3.04 -0.00 -0.98 0.23 115.95 118.10 1uc3 h TRP 72 Ca 0.20 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.08 1uc3 h TRP 72 Cb 0.27 -0.10 -0.03 0.00 -0.00 0.00 0.00 29.16 29.29 1uc3 h TRP 72 CO -0.25 0.19 0.31 1.25 -0.00 0.00 0.00 178.44 179.95 1uc3 h HIS 73 N 0.36 0.87 -0.42 2.65 2.76 -0.65 -2.01 115.15 118.72 1uc3 h HIS 73 Ca 0.12 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1uc3 h HIS 73 Cb 0.00 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.67 1uc3 h HIS 73 CO -0.08 0.65 0.17 0.00 -1.30 0.00 0.00 177.93 177.38 1uc3 h ALA 74 N 1.14 0.54 0.02 5.26 0.00 0.17 -1.96 119.26 124.43 1uc3 h ALA 74 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1uc3 h ALA 74 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1uc3 h ALA 74 CO -0.03 0.14 -0.11 0.93 0.00 0.00 0.00 179.25 180.18 1uc3 h GLU 75 N 0.53 -0.19 -0.58 0.00 5.08 -0.29 -1.06 114.58 118.08 1uc3 h GLU 75 Ca 0.14 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1uc3 h GLU 75 Cb 0.18 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1uc3 h GLU 75 CO -0.01 -0.12 0.29 0.00 -1.00 0.00 0.00 179.01 178.16 1uc3 h ARG 76 N -0.19 0.53 0.75 2.33 3.08 -1.21 -0.35 114.38 119.32 1uc3 h ARG 76 Ca 0.03 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1uc3 h ARG 76 Cb 0.23 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.17 1uc3 h ARG 76 CO -0.09 0.35 -0.38 0.82 -1.07 0.00 0.00 179.97 179.60 1uc3 h ILE 77 N 0.55 0.23 -0.41 2.04 2.04 -1.02 -1.29 117.51 119.64 1uc3 h ILE 77 Ca 0.26 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.24 1uc3 h ILE 77 Cb 0.20 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1uc3 h ILE 77 CO -0.19 0.00 0.33 -0.29 0.00 0.00 0.00 178.15 178.00 1uc3 h ILE 78 N -1.03 0.65 -0.00 -0.67 6.09 -0.97 -0.18 117.51 121.40 1uc3 h ILE 78 Ca -0.10 0.00 -0.19 0.00 -1.37 0.00 0.00 64.86 63.20 1uc3 h ILE 78 Cb 0.80 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 1uc3 h ILE 78 CO 0.16 0.00 -0.85 0.78 -3.07 0.00 0.00 178.15 175.17 1uc3 h ASN 79 N 0.00 0.24 -0.56 2.19 2.35 -0.52 -2.27 115.58 117.02 1uc3 h ASN 79 Ca 0.20 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1uc3 h ASN 79 Cb 0.86 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 1uc3 h ASN 79 CO -0.00 0.98 0.17 0.00 -1.65 0.00 0.00 177.43 176.93 1uc3 h ALA 80 N 1.00 1.17 0.00 -0.83 0.00 0.12 -0.33 119.26 120.40 1uc3 h ALA 80 Ca -0.04 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1uc3 h ALA 80 Cb 1.46 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1uc3 h ALA 80 CO 0.13 0.57 -0.43 0.28 0.00 0.00 0.00 179.25 179.80 1uc3 h VAL 81 N 0.88 1.22 -0.07 0.00 2.07 -1.35 -1.87 116.25 117.13 1uc3 h VAL 81 Ca 0.20 -1.51 -0.13 0.00 0.82 0.00 0.00 66.70 66.07 1uc3 h VAL 81 Cb 0.28 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1uc3 h VAL 81 CO -0.01 0.42 -0.55 -1.13 0.02 0.00 0.00 177.57 176.33 1uc3 h ASN 82 N 0.00 0.24 -0.02 0.57 -1.24 -0.59 -1.75 115.58 112.78 1uc3 h ASN 82 Ca -0.00 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 56.87 1uc3 h ASN 82 Cb 0.80 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.78 1uc3 h ASN 82 CO 0.06 0.74 -0.00 0.44 -1.29 0.00 0.00 177.43 177.37 1uc3 h ASP 83 N 0.17 0.05 0.03 1.15 3.32 -0.37 -1.50 116.42 119.26 1uc3 h ASP 83 Ca 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 56.72 1uc3 h ASP 83 Cb 1.02 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 1uc3 h ASP 83 CO 0.08 0.39 -0.25 0.00 -1.72 0.00 0.00 179.24 177.74 1uc3 h ALA 84 N 0.66 -0.36 -0.45 3.45 0.00 -1.29 0.54 119.26 121.80 1uc3 h ALA 84 Ca 0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1uc3 h ALA 84 Cb 0.37 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 1uc3 h ALA 84 CO 0.00 -0.76 -0.26 0.28 0.00 0.00 0.00 179.25 178.51 1uc3 h VAL 85 N -0.41 0.30 0.00 0.00 2.07 -1.29 0.28 116.25 117.20 1uc3 h VAL 85 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1uc3 h VAL 85 Cb 0.48 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1uc3 h VAL 85 CO -0.20 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.39 1uc3 h ALA 86 N 1.04 1.00 -0.56 1.67 0.00 -0.69 -2.53 119.26 119.19 1uc3 h ALA 86 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.84 1uc3 h ALA 86 Cb 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.12 1uc3 h ALA 86 CO -0.55 0.00 0.16 0.43 0.00 0.00 0.00 179.25 179.28 1uc3 n SER 87 N -2.89 2.99 0.25 0.00 7.64 0.91 -4.62 113.62 117.90 1uc3 n SER 87 Ca -0.01 -3.68 0.14 0.00 1.01 0.00 0.00 58.87 56.32 1uc3 n SER 87 Cb 0.17 -0.70 0.61 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.09 0.00 -0.73 1.43 2.86 -0.94 -2.67 114.93 115.98 1uc3 h MET 88 Ca 0.34 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.75 1uc3 h MET 88 Cb 2.04 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 33.57 1uc3 h MET 88 CO 0.61 0.12 0.28 -0.25 1.06 0.00 0.00 176.91 178.72 1uc3 n ASP 89 N -3.30 4.70 -2.74 1.22 8.00 -1.26 -4.50 116.55 118.67 1uc3 n ASP 89 Ca -0.00 -3.26 -0.06 0.00 0.71 0.00 0.00 54.79 52.18 1uc3 n ASP 89 Cb 0.34 -0.74 0.04 0.00 -0.02 0.00 0.00 41.12 40.73 1uc3 n ASP 89 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1uc3 n ASP 90 N -0.25 -2.95 -0.34 -2.24 -0.08 -1.01 -5.01 116.55 104.67 1uc3 n ASP 90 Ca 0.41 -2.94 0.04 0.00 -1.51 0.00 0.00 54.79 50.79 1uc3 n ASP 90 Cb 1.39 1.68 0.21 0.00 2.34 0.00 0.00 41.12 46.74 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 3.64 1.05 -0.41 5.18 2.02 -1.79 -2.47 112.91 120.14 1uc3 h THR 91 Ca -0.07 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 66.81 1uc3 h THR 91 Cb 1.08 -0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.26 1uc3 h THR 91 CO 0.15 0.20 -0.40 -0.08 0.37 0.00 0.00 175.52 175.76 1uc3 h GLU 92 N 1.09 -0.30 -0.15 6.66 4.81 -1.95 0.69 114.58 125.43 1uc3 h GLU 92 Ca 0.43 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1uc3 h GLU 92 Cb 0.24 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1uc3 h GLU 92 CO -0.18 -0.20 0.04 -0.22 -0.73 0.00 0.00 179.01 177.72 1uc3 h LYS 93 N -0.31 0.11 -0.84 1.92 3.64 -1.82 -0.43 116.57 118.84 1uc3 h LYS 93 Ca 0.15 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.64 1uc3 h LYS 93 Cb 0.58 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 1uc3 h LYS 93 CO -0.57 0.07 0.46 1.98 -2.27 0.00 0.00 179.45 179.12 1uc3 h MET 94 N 0.11 0.70 -0.35 1.90 4.05 -0.64 -0.83 114.93 119.87 1uc3 h MET 94 Ca 0.07 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.36 1uc3 h MET 94 Cb 0.05 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.68 1uc3 h MET 94 CO -0.08 0.46 -0.13 0.77 0.23 0.00 0.00 176.91 178.17 1uc3 h SER 95 N 0.72 0.72 -0.23 1.39 0.02 0.89 -1.65 113.55 115.42 1uc3 h SER 95 Ca 0.43 -0.38 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1uc3 h SER 95 Cb 0.50 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1uc3 h SER 95 CO -0.30 0.94 0.12 0.24 -1.14 0.00 0.00 176.83 176.69 1uc3 h MET 96 N 0.50 0.24 -0.52 3.45 2.07 -0.27 -0.32 114.93 120.08 1uc3 h MET 96 Ca 0.08 -0.01 -0.05 0.00 -2.07 0.00 0.00 59.70 57.65 1uc3 h MET 96 Cb 0.65 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.30 1uc3 h MET 96 CO 0.04 0.16 0.15 0.87 1.07 0.00 0.00 176.91 179.20 1uc3 h LYS 97 N 0.25 0.82 -0.12 1.72 1.57 -1.13 -2.75 116.57 116.92 1uc3 h LYS 97 Ca 0.09 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 1uc3 h LYS 97 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1uc3 h LYS 97 CO -0.06 0.77 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.89 1uc3 h LEU 98 N 0.72 0.50 -1.09 2.94 3.38 -1.20 -2.11 115.31 118.46 1uc3 h LEU 98 Ca 0.17 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1uc3 h LEU 98 Cb 0.30 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1uc3 h LEU 98 CO -0.00 1.00 0.37 0.03 0.09 0.00 0.00 178.44 179.93 1uc3 h ARG 99 N 0.32 1.01 -0.41 1.13 3.08 -1.00 0.28 114.38 118.80 1uc3 h ARG 99 Ca -0.01 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 1uc3 h ARG 99 Cb 1.17 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1uc3 h ARG 99 CO 0.11 0.76 -0.15 0.22 -1.07 0.00 0.00 179.97 179.84 1uc3 h ASP 100 N 1.01 0.83 0.11 7.04 1.82 -1.38 -2.15 116.42 123.70 1uc3 h ASP 100 Ca 0.25 -0.39 -0.04 0.00 -0.39 0.00 0.00 57.03 56.46 1uc3 h ASP 100 Cb 0.07 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 1uc3 h ASP 100 CO -0.04 1.03 -0.16 0.25 -1.61 0.00 0.00 179.24 178.72 1uc3 h LEU 101 N 0.63 0.11 -0.16 2.28 5.85 -0.62 -2.48 115.31 120.91 1uc3 h LEU 101 Ca 0.10 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1uc3 h LEU 101 Cb 0.70 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1uc3 h LEU 101 CO 0.05 0.28 -0.13 -1.28 -0.34 0.00 0.00 178.44 177.03 1uc3 h SER 102 N 0.11 0.39 -0.12 1.25 0.87 -0.12 -2.41 113.55 113.53 1uc3 h SER 102 Ca 0.02 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 1uc3 h SER 102 Cb 0.35 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1uc3 h SER 102 CO 0.02 0.76 0.02 1.23 -0.53 0.00 0.00 176.83 178.34 1uc3 h GLY 103 N 0.03 0.30 0.94 5.77 0.00 -1.14 -1.63 103.07 107.34 1uc3 h GLY 103 Ca 0.03 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1uc3 h GLY 103 CO 0.03 0.13 -0.22 0.50 0.00 0.00 0.00 176.54 176.99 1uc3 h LYS 104 N 0.28 0.67 -0.02 4.80 1.57 -1.35 -0.40 116.57 122.12 1uc3 h LYS 104 Ca 0.07 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1uc3 h LYS 104 Cb 0.15 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1uc3 h LYS 104 CO 0.00 0.93 0.02 0.45 -0.57 0.00 0.00 179.45 180.27 1uc3 h HIS 105 N 0.42 0.03 -0.01 -1.35 3.86 -0.91 0.98 115.15 118.17 1uc3 h HIS 105 Ca 0.06 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1uc3 h HIS 105 Cb 0.77 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 1uc3 h HIS 105 CO 0.07 0.03 -0.01 0.00 0.86 0.00 0.00 177.93 178.88 1uc3 h ALA 106 N 1.00 0.02 0.00 2.45 0.00 -1.32 0.29 119.26 121.68 1uc3 h ALA 106 Ca 0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 1uc3 h ALA 106 Cb 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1uc3 h ALA 106 CO -0.00 -0.23 -1.16 0.87 0.00 0.00 0.00 179.25 178.72 1uc3 h LYS 107 N -0.45 0.00 0.00 0.00 1.57 -1.12 -3.34 116.57 113.23 1uc3 h LYS 107 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1uc3 h LYS 107 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1uc3 h LYS 107 CO 0.00 0.74 -0.89 0.43 -0.57 0.00 0.00 179.45 179.16 1uc3 n SER 108 N -3.21 1.34 0.22 0.86 7.64 0.16 -4.69 113.62 115.94 1uc3 n SER 108 Ca -0.05 0.21 0.15 0.00 1.01 0.00 0.00 58.87 60.19 1uc3 n SER 108 Cb 0.94 -0.49 0.47 0.00 -1.01 0.00 0.00 64.21 64.12 1uc3 n SER 108 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1uc3 h PHE 109 N -0.49 0.00 -6.07 1.43 0.04 -1.05 -3.48 116.94 107.33 1uc3 h PHE 109 Ca -0.11 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.24 1uc3 h PHE 109 Cb 0.75 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.95 1uc3 h PHE 109 CO -0.16 0.00 -0.78 1.04 -0.60 0.00 0.00 178.31 177.81 1uc3 n GLN 110 N -2.89 -5.70 -3.53 1.51 6.02 0.93 -4.97 117.38 108.75 1uc3 n GLN 110 Ca 0.02 0.67 -0.37 0.00 -0.01 0.00 0.00 57.00 57.31 1uc3 n GLN 110 Cb 0.38 -5.45 -0.06 0.00 1.02 0.00 0.00 30.24 26.13 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 -3.48 5.18 0.08 5.09 -7.23 -0.76 -4.97 120.40 114.32 1uc3 s VAL 111 Ca 0.28 0.70 -0.31 0.00 -1.81 0.00 0.00 61.98 60.84 1uc3 s VAL 111 Cb -0.14 -3.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.05 1uc3 s VAL 111 CO 0.80 0.50 1.74 -0.62 -0.31 0.00 0.00 175.10 177.21 1uc3 s ASP 112 N -0.43 6.52 0.45 4.85 -1.08 -1.26 -4.69 116.67 121.03 1uc3 s ASP 112 Ca 0.21 2.60 0.20 0.00 -0.52 0.00 0.00 52.55 55.03 1uc3 s ASP 112 Cb -0.15 -2.56 1.17 0.00 -1.46 0.00 0.00 42.92 39.92 1uc3 s ASP 112 CO 0.09 -0.95 1.91 -0.65 0.52 0.00 0.00 175.17 176.09 1uc3 h PRO 113 N 8.64 0.29 0.00 4.34 0.11 -1.98 -3.07 132.00 140.32 1uc3 h PRO 113 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1uc3 h PRO 113 Cb 1.21 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1uc3 h PRO 113 CO 0.94 0.19 0.00 -0.56 -0.21 0.00 0.00 178.00 178.36 1uc3 h GLN 114 N 0.30 0.00 0.00 1.05 3.07 -2.03 -3.10 115.11 114.40 1uc3 h GLN 114 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.13 1uc3 h GLN 114 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 1uc3 h GLN 114 CO -0.10 0.00 -0.51 0.66 0.09 0.00 0.00 178.83 178.96 1uc3 n TYR 115 N -2.65 0.34 -0.26 0.06 4.01 -1.16 -4.21 117.16 113.28 1uc3 n TYR 115 Ca -0.02 0.10 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 1uc3 n TYR 115 Cb 0.08 -0.52 0.11 0.00 -0.31 0.00 0.00 39.34 38.70 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 0.83 -0.03 -0.72 0.04 -1.79 -1.10 116.94 114.17 1uc3 h PHE 116 Ca 0.00 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 1uc3 h PHE 116 Cb 0.64 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1uc3 h PHE 116 CO 0.00 0.43 -0.63 1.57 -0.60 0.00 0.00 178.31 179.08 1uc3 h LYS 117 N 0.84 0.13 0.25 1.51 2.10 -1.83 -1.11 116.57 118.45 1uc3 h LYS 117 Ca 0.32 -0.09 -0.01 0.00 -2.00 0.00 0.00 60.65 58.86 1uc3 h LYS 117 Cb 0.13 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1uc3 h LYS 117 CO -0.15 0.71 -0.12 0.28 -2.00 0.00 0.00 179.45 178.17 1uc3 h VAL 118 N 0.09 0.79 -0.01 0.07 2.07 -1.56 -1.28 116.25 116.42 1uc3 h VAL 118 Ca -0.01 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1uc3 h VAL 118 Cb 1.13 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1uc3 h VAL 118 CO 0.09 0.06 -0.36 0.25 0.02 0.00 0.00 177.57 177.63 1uc3 h LEU 119 N -0.47 0.02 -0.88 2.57 5.85 -1.22 -2.73 115.31 118.46 1uc3 h LEU 119 Ca -0.03 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 1uc3 h LEU 119 Cb 0.35 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1uc3 h LEU 119 CO 0.06 0.37 -0.33 0.00 -0.34 0.00 0.00 178.44 178.20 1uc3 h ALA 120 N 1.63 1.05 -0.65 1.25 0.00 -0.96 -2.98 119.26 118.60 1uc3 h ALA 120 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1uc3 h ALA 120 Cb 0.64 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1uc3 h ALA 120 CO 0.05 0.59 0.39 0.00 0.00 0.00 0.00 179.25 180.28 1uc3 h ALA 121 N 1.28 0.83 -0.41 0.00 0.00 -0.91 -1.97 119.26 118.08 1uc3 h ALA 121 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uc3 h ALA 121 Cb 0.76 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1uc3 h ALA 121 CO 0.06 0.30 0.26 0.28 0.00 0.00 0.00 179.25 180.15 1uc3 h VAL 122 N 0.88 1.11 -0.15 0.00 2.07 -1.53 0.66 116.25 119.30 1uc3 h VAL 122 Ca 0.23 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1uc3 h VAL 122 Cb -0.03 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1uc3 h VAL 122 CO -0.04 0.11 -0.30 0.40 0.02 0.00 0.00 177.57 177.76 1uc3 h ILE 123 N 0.56 1.36 -0.16 4.57 2.04 -1.30 -1.60 117.51 122.98 1uc3 h ILE 123 Ca 0.15 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 1uc3 h ILE 123 Cb -0.04 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1uc3 h ILE 123 CO -0.03 0.46 0.03 0.00 0.00 0.00 0.00 178.15 178.62 1uc3 h ALA 124 N 0.55 0.22 -0.93 1.87 0.00 -0.96 0.21 119.26 120.22 1uc3 h ALA 124 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1uc3 h ALA 124 Cb 0.89 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1uc3 h ALA 124 CO 0.07 -0.13 0.59 0.22 0.00 0.00 0.00 179.25 180.00 1uc3 h ASP 125 N 0.06 0.74 0.27 0.00 3.58 -0.91 0.34 116.42 120.51 1uc3 h ASP 125 Ca 0.05 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1uc3 h ASP 125 Cb 0.29 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.23 1uc3 h ASP 125 CO 0.00 0.38 -0.13 0.74 -2.88 0.00 0.00 179.24 177.35 1uc3 h THR 126 N 0.79 0.00 0.14 2.25 2.02 -0.87 -3.20 112.91 114.04 1uc3 h THR 126 Ca 0.47 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1uc3 h THR 126 Cb 0.65 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1uc3 h THR 126 CO -0.23 0.00 -0.14 0.58 0.37 0.00 0.00 175.52 176.10 1uc3 h VAL 127 N -1.09 0.68 -0.35 3.16 2.07 -0.41 -3.42 116.25 116.89 1uc3 h VAL 127 Ca -0.04 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1uc3 h VAL 127 Cb 0.28 0.68 -0.15 0.00 -1.52 0.00 0.00 31.29 30.58 1uc3 h VAL 127 CO 0.06 0.00 -0.30 0.00 0.02 0.00 0.00 177.57 177.35 1uc3 n ALA 128 N -2.36 -2.63 -1.48 1.67 0.00 0.11 -4.86 120.51 110.95 1uc3 n ALA 128 Ca -0.08 -0.67 -0.37 0.00 0.00 0.00 0.00 53.44 52.32 1uc3 n ALA 128 Cb 0.19 -2.29 0.06 0.00 0.00 0.00 0.00 19.45 17.40 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 2.26 -0.50 0.00 0.00 0.00 -0.37 -2.40 120.51 119.50 1uc3 n ALA 129 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1uc3 n ALA 129 Cb 0.63 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.08 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 1.45 2.00 3.48 0.00 0.00 -1.26 -4.96 105.19 105.90 1uc3 n GLY 130 Ca 0.13 -0.27 -0.45 0.00 0.00 0.00 0.00 46.02 45.43 1uc3 n GLY 130 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1uc3 n ASP 131 N 2.82 1.87 0.26 1.61 4.64 -1.01 -4.79 116.55 121.95 1uc3 n ASP 131 Ca 0.00 0.15 0.15 0.00 -1.38 0.00 0.00 54.79 53.71 1uc3 n ASP 131 Cb 0.00 -1.28 0.59 0.00 -1.04 0.00 0.00 41.12 39.38 1uc3 n ASP 131 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1uc3 h ALA 132 N 14.09 1.00 -0.08 -1.67 0.00 -1.93 -2.60 119.26 128.08 1uc3 h ALA 132 Ca -0.23 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1uc3 h ALA 132 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1uc3 h ALA 132 CO 1.12 0.06 0.03 0.78 0.00 0.00 0.00 179.25 181.23 1uc3 h GLY 133 N 2.26 0.13 1.42 0.00 0.00 -1.92 0.13 103.07 105.09 1uc3 h GLY 133 Ca -0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1uc3 h GLY 133 CO 0.01 0.07 -0.13 -2.75 0.00 0.00 0.00 176.54 173.73 1uc3 h PHE 134 N -0.05 0.76 -0.71 5.60 3.57 -1.82 -2.70 116.94 121.59 1uc3 h PHE 134 Ca 0.02 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.39 1uc3 h PHE 134 Cb 0.19 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1uc3 h PHE 134 CO -0.01 0.79 0.45 0.93 -2.23 0.00 0.00 178.31 178.24 1uc3 h GLU 135 N 0.63 0.94 -0.50 1.11 5.08 -1.09 -1.90 114.58 118.85 1uc3 h GLU 135 Ca 0.11 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1uc3 h GLU 135 Cb 0.59 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.57 1uc3 h GLU 135 CO 0.04 0.64 0.17 -0.22 -1.00 0.00 0.00 179.01 178.63 1uc3 h LYS 136 N 0.96 0.33 -0.70 2.33 3.64 -0.42 -0.84 116.57 121.87 1uc3 h LYS 136 Ca 0.26 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1uc3 h LYS 136 Cb -0.08 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 1uc3 h LYS 136 CO -0.05 0.22 0.42 1.25 -2.27 0.00 0.00 179.45 179.01 1uc3 h LEU 137 N 0.34 0.67 -1.43 5.20 6.46 -1.27 -0.88 115.31 124.39 1uc3 h LEU 137 Ca 0.24 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1uc3 h LEU 137 Cb 0.27 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1uc3 h LEU 137 CO -0.26 0.45 0.22 0.24 -0.62 0.00 0.00 178.44 178.47 1uc3 h MET 138 N 0.80 0.60 -0.06 1.25 2.86 -0.42 -0.63 114.93 119.34 1uc3 h MET 138 Ca 0.29 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.67 1uc3 h MET 138 Cb 0.08 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1uc3 h MET 138 CO -0.14 0.46 -0.79 0.77 1.06 0.00 0.00 176.91 178.28 1uc3 h SER 139 N 0.61 0.49 -0.34 1.22 0.02 -0.31 -0.46 113.55 114.77 1uc3 h SER 139 Ca 0.16 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 1uc3 h SER 139 Cb 0.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1uc3 h SER 139 CO -0.02 1.10 0.15 0.24 -1.14 0.00 0.00 176.83 177.16 1uc3 h MET 140 N 0.26 0.50 -0.15 3.45 2.07 -0.54 0.15 114.93 120.67 1uc3 h MET 140 Ca -0.04 -0.08 -0.00 0.00 -2.07 0.00 0.00 59.70 57.51 1uc3 h MET 140 Cb 1.38 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 31.02 1uc3 h MET 140 CO 0.13 0.47 0.09 0.82 1.07 0.00 0.00 176.91 179.49 1uc3 h ILE 141 N 0.41 1.09 -0.50 -1.22 2.04 -1.04 -2.32 117.51 115.96 1uc3 h ILE 141 Ca 0.12 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1uc3 h ILE 141 Cb 0.15 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1uc3 h ILE 141 CO -0.01 0.08 0.04 0.00 0.00 0.00 0.00 178.15 178.26 1uc3 h ILE 143 N 0.76 1.25 -0.01 0.00 2.04 -0.77 -2.39 117.51 118.39 1uc3 h ILE 143 Ca 0.15 -0.89 -0.20 0.00 1.00 0.00 0.00 64.86 64.93 1uc3 h ILE 143 Cb 0.41 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1uc3 h ILE 143 CO 0.01 0.34 -0.85 -0.07 0.00 0.00 0.00 178.15 177.59 1uc3 h LEU 144 N 1.01 0.35 -1.65 1.44 3.38 -1.14 -2.85 115.31 115.85 1uc3 h LEU 144 Ca 0.22 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1uc3 h LEU 144 Cb 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1uc3 h LEU 144 CO -0.01 1.04 0.00 -0.07 0.09 0.00 0.00 178.44 179.50 1uc3 h LEU 145 N 0.16 0.00 -0.95 1.67 3.38 -0.81 -2.49 115.31 116.28 1uc3 h LEU 145 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1uc3 h LEU 145 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1uc3 h LEU 145 CO 0.14 0.00 -0.45 0.54 0.09 0.00 0.00 178.44 178.76 1uc3 n ARG 146 N -2.92 1.33 0.27 1.13 1.74 -0.93 -4.48 116.66 112.81 1uc3 n ARG 146 Ca 0.00 -0.93 0.13 0.00 -0.77 0.00 0.00 57.85 56.28 1uc3 n ARG 146 Cb 0.23 -1.42 0.80 0.00 -1.02 0.00 0.00 32.46 31.06 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 2.21 0.00 0.54 0.55 4.64 -1.21 -2.37 113.55 117.91 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 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1uc3 h SER 147 CO 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 176.83 175.68 1uc3 n ALA 148 N -2.41 3.06 1.77 5.18 0.00 -1.26 -5.07 120.51 121.78 1uc3 n ALA 148 Ca -0.02 -0.29 0.15 0.00 0.00 0.00 0.00 53.44 53.28 1uc3 n ALA 148 Cb 0.12 -1.24 0.76 0.00 0.00 0.00 0.00 19.45 19.09 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16