#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 5.40 0.46 4.25 1.01 -1.26 -4.90 121.20 126.16 1uc3 s ILE 2 Ca 0.00 0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.96 1uc3 s ILE 2 Cb 0.00 -3.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 1uc3 s ILE 2 CO 0.00 0.44 0.31 0.68 0.00 0.00 0.00 174.94 176.37 1uc3 s VAL 3 N 0.33 2.17 0.00 2.92 -7.23 -1.26 -5.00 120.40 112.33 1uc3 s VAL 3 Ca 0.09 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1uc3 s VAL 3 Cb -0.11 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1uc3 s VAL 3 CO -0.01 0.00 0.46 -0.90 -0.31 0.00 0.00 175.10 174.34 1uc3 n ASP 4 N -1.51 0.01 -3.87 4.85 5.68 -1.26 -4.26 116.55 116.19 1uc3 n ASP 4 Ca -0.00 -1.01 -0.09 0.00 -0.50 0.00 0.00 54.79 53.19 1uc3 n ASP 4 Cb 0.64 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.01 0.10 0.09 -1.12 1.04 -1.26 -4.22 113.70 108.32 1uc3 s SER 5 Ca 0.00 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1uc3 s SER 5 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1uc3 s SER 5 CO 0.00 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1uc3 n GLY 6 N 0.27 -1.43 3.45 7.32 0.00 -1.26 -4.94 105.19 108.61 1uc3 n GLY 6 Ca -0.17 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.34 1uc3 n GLY 6 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uc3 s SER 7 N -4.00 2.66 0.15 1.61 0.15 -1.26 -5.05 113.70 107.97 1uc3 s SER 7 Ca 0.00 -1.30 0.08 0.00 0.70 0.00 0.00 55.95 55.43 1uc3 s SER 7 Cb 0.00 -0.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.12 1uc3 s SER 7 CO 0.00 -0.49 -0.18 0.68 1.20 0.00 0.00 173.24 174.45 1uc3 s VAL 8 N -3.13 1.77 0.79 4.45 -7.23 -1.26 -5.12 120.40 110.67 1uc3 s VAL 8 Ca 0.33 -1.86 -0.15 0.00 -1.81 0.00 0.00 61.98 58.50 1uc3 s VAL 8 Cb 0.07 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.24 1uc3 s VAL 8 CO 0.14 -0.29 0.81 0.00 -0.31 0.00 0.00 175.10 175.45 1uc3 n ALA 9 N 0.40 -0.98 -1.14 1.32 0.00 -1.26 -4.94 120.51 113.91 1uc3 n ALA 9 Ca -0.14 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1uc3 n ALA 9 Cb 0.57 -2.02 0.12 0.00 0.00 0.00 0.00 19.45 18.11 1uc3 n ALA 9 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1uc3 s PRO 10 N -3.45 1.79 0.01 0.00 0.02 -1.26 -5.00 135.00 127.10 1uc3 s PRO 10 Ca 0.68 1.16 -0.21 0.00 0.02 0.00 0.00 61.00 62.64 1uc3 s PRO 10 Cb -0.31 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.32 1uc3 s PRO 10 CO 0.56 -1.97 0.62 -0.51 -0.33 0.00 0.00 177.00 175.37 1uc3 s LEU 11 N -6.12 4.42 0.63 -5.54 1.43 -1.26 -5.07 118.68 107.17 1uc3 s LEU 11 Ca 0.63 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1uc3 s LEU 11 Cb -0.18 -2.97 0.08 0.00 0.03 0.00 0.00 46.19 43.14 1uc3 s LEU 11 CO 0.57 0.09 0.88 -0.94 0.23 0.00 0.00 176.35 177.18 1uc3 s SER 12 N -0.18 4.85 0.23 2.29 1.04 -1.26 -4.93 113.70 115.74 1uc3 s SER 12 Ca 0.32 -0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.51 1uc3 s SER 12 Cb -0.19 -0.46 0.22 0.00 0.10 0.00 0.00 66.02 65.69 1uc3 s SER 12 CO 0.18 -1.48 1.76 0.00 0.98 0.00 0.00 173.24 174.69 1uc3 h ALA 13 N -0.21 1.05 -0.41 5.32 0.00 -1.99 -1.91 119.26 121.12 1uc3 h ALA 13 Ca -0.39 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1uc3 h ALA 13 Cb 1.28 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1uc3 h ALA 13 CO 0.47 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 180.23 1uc3 h ALA 14 N 1.19 0.56 -0.67 0.00 0.00 -1.99 -1.39 119.26 116.96 1uc3 h ALA 14 Ca 0.21 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1uc3 h ALA 14 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1uc3 h ALA 14 CO -0.00 0.45 0.19 0.93 0.00 0.00 0.00 179.25 180.82 1uc3 h GLU 15 N 0.61 1.04 -0.58 0.00 5.08 -1.90 -2.10 114.58 116.74 1uc3 h GLU 15 Ca 0.10 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 1uc3 h GLU 15 Cb 0.65 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1uc3 h GLU 15 CO 0.04 0.91 -0.02 0.87 -1.00 0.00 0.00 179.01 179.81 1uc3 h LYS 16 N 1.00 1.02 -0.92 2.33 1.57 -1.23 0.18 116.57 120.52 1uc3 h LYS 16 Ca 0.22 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1uc3 h LYS 16 Cb 0.32 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 1uc3 h LYS 16 CO -0.00 1.02 0.61 1.15 -0.57 0.00 0.00 179.45 181.65 1uc3 h THR 17 N 0.93 1.22 0.02 -0.16 2.02 -0.85 0.13 112.91 116.22 1uc3 h THR 17 Ca 0.16 -0.42 -0.22 0.00 0.77 0.00 0.00 66.41 66.71 1uc3 h THR 17 Cb 0.57 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1uc3 h THR 17 CO 0.03 0.22 -0.95 0.50 0.37 0.00 0.00 175.52 175.70 1uc3 h LYS 18 N 1.22 0.26 0.14 6.66 3.11 -1.14 -2.56 116.57 124.26 1uc3 h LYS 18 Ca 0.34 -0.31 -0.01 0.00 -2.81 0.00 0.00 60.65 57.87 1uc3 h LYS 18 Cb -0.10 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1uc3 h LYS 18 CO -0.08 1.04 -0.07 0.82 -2.81 0.00 0.00 179.45 178.35 1uc3 h ILE 19 N 0.14 0.88 -0.18 2.00 2.04 0.05 -2.45 117.51 119.99 1uc3 h ILE 19 Ca -0.07 -0.06 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1uc3 h ILE 19 Cb 1.60 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1uc3 h ILE 19 CO 0.15 0.01 -0.19 0.03 0.00 0.00 0.00 178.15 178.16 1uc3 h ARG 20 N -0.21 0.30 0.00 2.37 3.08 -0.79 -0.92 114.38 118.21 1uc3 h ARG 20 Ca -0.02 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.79 1uc3 h ARG 20 Cb 0.16 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1uc3 h ARG 20 CO 0.03 0.49 -0.75 0.66 -1.07 0.00 0.00 179.97 179.33 1uc3 h SER 21 N 0.28 0.00 0.61 7.04 4.64 -1.40 -1.80 113.55 122.91 1uc3 h SER 21 Ca 0.05 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.13 1uc3 h SER 21 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1uc3 h SER 21 CO 0.03 0.75 -1.07 0.00 -0.87 0.00 0.00 176.83 175.67 1uc3 h ALA 22 N 1.25 0.28 -0.15 5.18 0.00 -1.27 -3.33 119.26 121.22 1uc3 h ALA 22 Ca -0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 1uc3 h ALA 22 Cb 1.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1uc3 h ALA 22 CO 0.10 0.96 -0.32 2.35 0.00 0.00 0.00 179.25 182.34 1uc3 h TRP 23 N 0.10 0.61 -0.91 0.00 2.91 -1.14 -3.34 115.95 114.18 1uc3 h TRP 23 Ca -0.09 -0.23 0.17 0.00 1.13 0.00 0.00 58.89 59.88 1uc3 h TRP 23 Cb 1.76 -0.11 -0.17 0.00 -0.51 0.00 0.00 29.16 30.13 1uc3 h TRP 23 CO 0.05 0.95 -0.27 0.00 -1.03 0.00 0.00 178.44 178.14 1uc3 h ALA 24 N 0.55 0.47 -0.63 2.65 0.00 -1.43 0.87 119.26 121.74 1uc3 h ALA 24 Ca 0.00 0.33 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1uc3 h ALA 24 Cb 0.92 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 1uc3 h ALA 24 CO 0.07 -0.46 0.19 -1.35 0.00 0.00 0.00 179.25 177.70 1uc3 h PRO 25 N -0.01 0.96 0.00 0.00 0.11 -1.74 -1.30 132.00 130.02 1uc3 h PRO 25 Ca 0.41 -0.19 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 1uc3 h PRO 25 Cb 0.65 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1uc3 h PRO 25 CO -0.93 0.83 -0.43 0.28 -0.21 0.00 0.00 178.00 177.53 1uc3 h VAL 26 N 0.93 1.08 0.02 3.15 2.07 -1.04 -3.31 116.25 119.15 1uc3 h VAL 26 Ca 0.21 -1.62 -0.31 0.00 0.82 0.00 0.00 66.70 65.80 1uc3 h VAL 26 Cb 0.28 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1uc3 h VAL 26 CO -0.01 0.43 -1.79 0.00 0.02 0.00 0.00 177.57 176.21 1uc3 n TYR 27 N -3.69 1.00 0.18 1.57 4.19 -0.19 -2.96 117.16 117.27 1uc3 n TYR 27 Ca -0.01 0.33 0.03 0.00 3.31 0.00 0.00 57.90 61.56 1uc3 n TYR 27 Cb 0.51 -1.17 0.11 0.00 0.49 0.00 0.00 39.34 39.28 1uc3 n TYR 27 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1uc3 n SER 28 N -3.12 0.00 -1.47 2.98 3.41 -0.53 -0.58 113.62 114.32 1uc3 n SER 28 Ca -0.20 0.50 0.01 0.00 -0.26 0.00 0.00 58.87 58.91 1uc3 n SER 28 Cb 1.06 -0.50 0.08 0.00 -0.26 0.00 0.00 64.21 64.59 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 -1.50 1.72 0.03 4.04 4.05 -1.25 -4.92 115.26 117.43 1uc3 n ASN 29 Ca 0.01 -2.79 0.21 0.00 0.45 0.00 0.00 54.58 52.47 1uc3 n ASN 29 Cb 0.06 -0.40 0.73 0.00 1.23 0.00 0.00 39.78 41.40 1uc3 n ASN 29 CO 0.00 0.00 0.00 0.10 -3.05 0.00 0.00 177.26 174.31 1uc3 h TYR 30 N 1.36 0.00 -0.44 1.20 -0.00 -0.73 -0.54 116.97 117.82 1uc3 h TYR 30 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 58.73 58.66 1uc3 h TYR 30 Cb 1.49 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.19 1uc3 h TYR 30 CO 0.48 0.00 0.28 0.93 -0.00 0.00 0.00 178.16 179.85 1uc3 h GLU 31 N 0.00 0.55 0.07 0.10 3.07 -1.89 0.21 114.58 116.69 1uc3 h GLU 31 Ca 0.24 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.92 1uc3 h GLU 31 Cb 1.08 -0.12 0.02 0.00 -0.84 0.00 0.00 28.75 28.88 1uc3 h GLU 31 CO -0.00 0.36 -0.62 1.15 -1.40 0.00 0.00 179.01 178.50 1uc3 h THR 32 N 0.56 1.52 0.34 1.13 2.02 -1.68 -3.19 112.91 113.62 1uc3 h THR 32 Ca 0.17 -2.33 -0.00 0.00 0.77 0.00 0.00 66.41 65.02 1uc3 h THR 32 Cb -0.04 3.01 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 1uc3 h THR 32 CO -0.05 0.66 -0.45 0.28 0.37 0.00 0.00 175.52 176.32 1uc3 h SER 33 N -0.37 -1.27 -0.64 4.18 0.02 -1.07 -2.15 113.55 112.25 1uc3 h SER 33 Ca -0.10 0.12 0.13 0.00 -0.84 0.00 0.00 61.79 61.10 1uc3 h SER 33 Cb 1.43 0.44 -0.11 0.00 0.14 0.00 0.00 62.40 64.29 1uc3 h SER 33 CO 0.12 -0.58 -0.04 1.23 -1.14 0.00 0.00 176.83 176.42 1uc3 h GLY 34 N -0.84 0.63 1.20 -3.77 0.00 -0.72 -0.69 103.07 98.87 1uc3 h GLY 34 Ca -0.03 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.36 1uc3 h GLY 34 CO -0.13 -0.23 0.15 -2.08 0.00 0.00 0.00 176.54 174.25 1uc3 h VAL 35 N 0.08 1.25 0.08 4.60 2.07 -1.51 -0.57 116.25 122.25 1uc3 h VAL 35 Ca 0.33 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1uc3 h VAL 35 Cb 0.54 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1uc3 h VAL 35 CO -0.58 0.35 -0.04 0.44 0.02 0.00 0.00 177.57 177.75 1uc3 h ASP 36 N 0.95 -0.09 0.40 0.57 3.32 -0.58 0.31 116.42 121.30 1uc3 h ASP 36 Ca 0.20 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1uc3 h ASP 36 Cb 0.34 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1uc3 h ASP 36 CO 0.00 0.06 -0.28 0.40 -1.72 0.00 0.00 179.24 177.71 1uc3 h ILE 37 N -0.24 0.42 -0.84 0.35 2.04 -1.03 -0.39 117.51 117.82 1uc3 h ILE 37 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1uc3 h ILE 37 Cb 0.20 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1uc3 h ILE 37 CO 0.02 0.00 0.56 0.25 0.00 0.00 0.00 178.15 178.97 1uc3 h LEU 38 N -0.66 0.97 -0.44 1.44 5.85 -1.10 -1.28 115.31 120.09 1uc3 h LEU 38 Ca -0.04 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 1uc3 h LEU 38 Cb 0.56 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1uc3 h LEU 38 CO 0.02 0.71 -0.04 0.58 -0.34 0.00 0.00 178.44 179.37 1uc3 h VAL 39 N 1.15 1.27 -0.21 1.05 2.07 -0.82 -0.31 116.25 120.44 1uc3 h VAL 39 Ca 0.31 -1.11 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1uc3 h VAL 39 Cb -0.13 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1uc3 h VAL 39 CO -0.07 0.38 0.11 0.11 0.02 0.00 0.00 177.57 178.12 1uc3 h LYS 40 N 0.63 0.22 0.59 1.57 1.57 -0.78 -1.55 116.57 118.82 1uc3 h LYS 40 Ca 0.12 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1uc3 h LYS 40 Cb 0.55 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1uc3 h LYS 40 CO 0.03 0.15 -0.46 0.35 -0.57 0.00 0.00 179.45 178.95 1uc3 h PHE 41 N 0.23 -1.24 -0.18 -1.35 3.57 -1.10 -0.62 116.94 116.24 1uc3 h PHE 41 Ca 0.09 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.62 1uc3 h PHE 41 Cb 0.02 0.47 -0.07 0.00 2.79 0.00 0.00 35.95 39.16 1uc3 h PHE 41 CO -0.09 -0.65 -0.52 0.35 -2.23 0.00 0.00 178.31 175.16 1uc3 h PHE 42 N -1.02 -1.55 0.00 0.41 3.57 -0.93 0.14 116.94 117.56 1uc3 h PHE 42 Ca -0.07 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1uc3 h PHE 42 Cb 0.86 0.70 -0.00 0.00 2.79 0.00 0.00 35.95 40.30 1uc3 h PHE 42 CO -0.18 -0.53 -0.07 1.79 -2.23 0.00 0.00 178.31 177.10 1uc3 h THR 43 N -0.53 0.54 0.00 4.41 1.35 -1.28 -2.63 112.91 114.77 1uc3 h THR 43 Ca 0.05 -0.32 -0.09 0.00 -0.55 0.00 0.00 66.41 65.50 1uc3 h THR 43 Cb 0.66 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1uc3 h THR 43 CO -0.46 0.07 -0.71 0.28 -0.25 0.00 0.00 175.52 174.44 1uc3 h SER 44 N 0.00 0.00 -2.47 5.36 0.02 0.34 -3.39 113.55 113.41 1uc3 h SER 44 Ca -0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 1uc3 h SER 44 Cb 0.20 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.32 1uc3 h SER 44 CO 0.01 0.37 -0.63 0.41 -1.14 0.00 0.00 176.83 175.85 1uc3 n THR 45 N -3.05 1.86 -0.36 -2.27 -1.04 -0.11 -4.96 114.28 104.36 1uc3 n THR 45 Ca -0.01 -4.99 0.27 0.00 -2.04 0.00 0.00 64.05 57.28 1uc3 n THR 45 Cb 0.70 -2.11 0.53 0.00 -1.82 0.00 0.00 70.33 67.64 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 4.59 0.25 0.00 -2.82 0.11 -1.78 -0.23 132.00 132.13 1uc3 h PRO 46 Ca 0.18 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.22 1uc3 h PRO 46 Cb 0.71 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1uc3 h PRO 46 CO 0.77 0.17 -0.27 0.00 -0.21 0.00 0.00 178.00 178.45 1uc3 h ALA 47 N 1.75 1.17 -0.00 -0.75 0.00 -1.92 -2.64 119.26 116.86 1uc3 h ALA 47 Ca 0.74 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1uc3 h ALA 47 Cb 1.90 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1uc3 h ALA 47 CO -0.51 0.34 -0.36 0.00 0.00 0.00 0.00 179.25 178.71 1uc3 n ALA 48 N -2.31 3.24 -0.34 0.00 0.00 -0.10 -4.13 120.51 116.86 1uc3 n ALA 48 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 53.44 53.14 1uc3 n ALA 48 Cb 0.39 -1.20 0.15 0.00 0.00 0.00 0.00 19.45 18.79 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 0.12 1.04 -0.06 0.00 4.20 -1.41 -2.49 115.11 116.51 1uc3 h GLN 49 Ca 0.00 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1uc3 h GLN 49 Cb 0.49 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 1uc3 h GLN 49 CO 0.00 0.69 0.11 1.05 -0.67 0.00 0.00 178.83 180.01 1uc3 h GLU 50 N 1.07 0.00 -0.03 1.46 4.11 -1.76 -1.09 114.58 118.35 1uc3 h GLU 50 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.83 1uc3 h GLU 50 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1uc3 h GLU 50 CO -0.17 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.10 1uc3 n PHE 51 N -3.49 0.04 -2.95 2.06 3.72 -0.94 -3.92 117.46 111.98 1uc3 n PHE 51 Ca -0.01 -0.02 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 1uc3 n PHE 51 Cb 0.19 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.56 3.87 -0.33 1.38 3.01 -0.41 -4.95 117.46 119.48 1uc3 n PHE 52 Ca 0.10 -3.84 0.20 0.00 1.01 0.00 0.00 57.45 54.92 1uc3 n PHE 52 Cb 0.08 -0.58 0.39 0.00 -0.01 0.00 0.00 39.48 39.35 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 3.24 0.06 0.00 -1.08 0.11 -1.80 0.25 132.00 132.78 1uc3 h PRO 53 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1uc3 h PRO 53 Cb 0.49 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1uc3 h PRO 53 CO 0.87 0.04 0.00 1.63 -0.21 0.00 0.00 178.00 180.33 1uc3 n LYS 54 N -5.35 0.12 -0.00 1.05 5.02 -1.26 -1.88 118.16 115.86 1uc3 n LYS 54 Ca 0.28 0.17 0.09 0.00 -2.02 0.00 0.00 58.31 56.82 1uc3 n LYS 54 Cb 0.91 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 34.31 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 -1.21 0.00 -1.06 2.13 3.01 0.87 -4.96 117.46 116.25 1uc3 n PHE 55 Ca 0.03 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.11 1uc3 n PHE 55 Cb 0.04 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.38 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 -1.60 0.00 -0.03 -1.08 4.81 -0.79 -1.60 118.16 117.87 1uc3 n LYS 56 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1uc3 n LYS 56 Cb 0.34 -0.88 0.00 0.00 0.02 0.00 0.00 35.03 34.51 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 1.32 0.73 3.27 3.14 0.00 -1.26 -5.05 105.19 107.34 1uc3 n GLY 57 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.75 2.82 0.00 1.61 -1.94 -0.63 -4.97 119.30 115.44 1uc3 s MET 58 Ca 0.00 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1uc3 s MET 58 Cb 0.00 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.57 1uc3 s MET 58 CO 0.00 0.30 0.00 0.25 -0.01 0.00 0.00 175.02 175.56 1uc3 n THR 59 N 3.19 0.00 -4.06 2.05 -2.24 -1.26 -5.01 114.28 106.95 1uc3 n THR 59 Ca -0.18 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 1uc3 n THR 59 Cb 0.52 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.27 1uc3 n THR 59 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1uc3 s SER 60 N 0.00 5.58 0.21 3.42 1.04 -1.26 -4.80 113.70 117.88 1uc3 s SER 60 Ca 0.00 0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.36 1uc3 s SER 60 Cb 0.00 -1.52 0.28 0.00 0.10 0.00 0.00 66.02 64.87 1uc3 s SER 60 CO 0.00 0.19 1.75 0.00 0.98 0.00 0.00 173.24 176.16 1uc3 h ALA 61 N 3.42 0.80 0.00 5.32 0.00 -1.98 -0.53 119.26 126.29 1uc3 h ALA 61 Ca -0.47 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1uc3 h ALA 61 Cb 1.17 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1uc3 h ALA 61 CO 0.66 -0.17 -0.09 0.38 0.00 0.00 0.00 179.25 180.03 1uc3 h ASP 62 N 0.43 0.00 0.01 0.00 3.04 -1.99 0.25 116.42 118.16 1uc3 h ASP 62 Ca 0.31 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 54.10 1uc3 h ASP 62 Cb 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.66 1uc3 h ASP 62 CO -0.29 0.09 -0.01 1.56 -2.04 0.00 0.00 179.24 178.55 1uc3 h GLN 63 N 0.00 -0.02 -0.19 4.15 4.20 -1.64 -3.30 115.11 118.31 1uc3 h GLN 63 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1uc3 h GLN 63 Cb 0.29 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1uc3 h GLN 63 CO 0.01 0.69 0.06 -0.07 -0.67 0.00 0.00 178.83 178.85 1uc3 h LEU 64 N -0.97 0.07 -0.51 1.46 3.38 -0.74 -3.06 115.31 114.94 1uc3 h LEU 64 Ca -0.00 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1uc3 h LEU 64 Cb 0.71 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 1uc3 h LEU 64 CO 0.00 0.07 0.18 0.11 0.09 0.00 0.00 178.44 178.89 1uc3 h LYS 65 N 0.15 0.35 -0.98 1.13 1.57 -0.69 -2.26 116.57 115.84 1uc3 h LYS 65 Ca 0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1uc3 h LYS 65 Cb 0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 1uc3 h LYS 65 CO -0.09 0.23 0.01 1.63 -0.57 0.00 0.00 179.45 180.66 1uc3 n LYS 66 N -5.00 1.16 -3.96 3.15 5.02 -1.16 -4.78 118.16 112.59 1uc3 n LYS 66 Ca 0.05 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.84 1uc3 n LYS 66 Cb 0.20 -1.42 -0.14 0.00 -0.02 0.00 0.00 35.03 33.65 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 0.19 4.11 0.31 4.39 0.15 -0.85 -5.00 113.70 117.00 1uc3 s SER 67 Ca 0.03 -0.63 0.03 0.00 0.70 0.00 0.00 55.95 56.08 1uc3 s SER 67 Cb 0.02 -1.67 0.61 0.00 -1.71 0.00 0.00 66.02 63.28 1uc3 s SER 67 CO 0.01 -0.06 1.89 0.00 1.20 0.00 0.00 173.24 176.27 1uc3 h ALA 68 N 8.05 1.60 -0.72 5.45 0.00 -1.87 -1.11 119.26 130.65 1uc3 h ALA 68 Ca -0.39 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1uc3 h ALA 68 Cb 1.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1uc3 h ALA 68 CO 0.60 0.22 0.29 -0.44 0.00 0.00 0.00 179.25 179.91 1uc3 h ASP 69 N 0.93 0.99 -0.54 0.00 3.32 -1.94 0.42 116.42 119.61 1uc3 h ASP 69 Ca 0.43 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1uc3 h ASP 69 Cb 0.39 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1uc3 h ASP 69 CO -0.19 0.89 0.21 0.58 -1.72 0.00 0.00 179.24 179.02 1uc3 h VAL 70 N 1.03 1.22 0.28 -1.35 2.07 -1.53 -1.61 116.25 116.36 1uc3 h VAL 70 Ca 0.24 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1uc3 h VAL 70 Cb 0.21 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1uc3 h VAL 70 CO -0.02 0.26 -0.32 0.03 0.02 0.00 0.00 177.57 177.55 1uc3 h ARG 71 N 0.73 -0.62 -0.88 1.57 3.08 -0.70 0.04 114.38 117.60 1uc3 h ARG 71 Ca 0.18 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.35 1uc3 h ARG 71 Cb 0.21 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.33 1uc3 h ARG 71 CO -0.01 -0.41 0.54 2.35 -1.07 0.00 0.00 179.97 181.36 1uc3 h TRP 72 N -0.64 0.99 -0.52 3.04 -0.00 -0.80 0.21 115.95 118.22 1uc3 h TRP 72 Ca -0.01 0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 58.82 1uc3 h TRP 72 Cb 0.60 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.43 1uc3 h TRP 72 CO -0.21 0.45 -0.02 1.25 -0.00 0.00 0.00 178.44 179.91 1uc3 h HIS 73 N 0.93 1.03 -0.24 2.65 2.76 -1.03 -2.54 115.15 118.71 1uc3 h HIS 73 Ca 0.41 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1uc3 h HIS 73 Cb 0.29 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1uc3 h HIS 73 CO -0.03 0.95 0.09 0.00 -1.30 0.00 0.00 177.93 177.64 1uc3 h ALA 74 N 0.94 0.31 -0.67 5.26 0.00 0.33 -2.44 119.26 123.00 1uc3 h ALA 74 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1uc3 h ALA 74 Cb 0.55 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1uc3 h ALA 74 CO 0.03 -0.09 0.38 0.93 0.00 0.00 0.00 179.25 180.50 1uc3 h GLU 75 N 0.23 0.91 -0.48 0.00 5.08 -0.61 -1.65 114.58 118.06 1uc3 h GLU 75 Ca 0.08 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1uc3 h GLU 75 Cb 0.18 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1uc3 h GLU 75 CO -0.01 0.66 -0.18 0.00 -1.00 0.00 0.00 179.01 178.49 1uc3 h ARG 76 N 0.93 0.96 0.06 2.33 3.08 -1.30 -2.38 114.38 118.06 1uc3 h ARG 76 Ca 0.24 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1uc3 h ARG 76 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1uc3 h ARG 76 CO -0.04 1.07 -0.03 0.82 -1.07 0.00 0.00 179.97 180.71 1uc3 h ILE 77 N 0.81 0.98 -0.12 2.04 2.04 -0.94 -1.86 117.51 120.47 1uc3 h ILE 77 Ca 0.11 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1uc3 h ILE 77 Cb 0.75 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1uc3 h ILE 77 CO 0.06 0.03 -0.10 0.40 0.00 0.00 0.00 178.15 178.55 1uc3 h ILE 78 N -0.15 1.14 -0.07 -0.67 5.03 -1.33 -2.40 117.51 119.07 1uc3 h ILE 78 Ca -0.01 -0.62 -0.15 0.00 -0.12 0.00 0.00 64.86 63.96 1uc3 h ILE 78 Cb 0.12 1.16 -0.01 0.00 -3.03 0.00 0.00 36.82 35.07 1uc3 h ILE 78 CO 0.01 0.19 -0.60 0.78 -0.68 0.00 0.00 178.15 177.85 1uc3 h ASN 79 N 0.18 0.29 0.25 1.72 2.35 -1.18 -0.80 115.58 118.39 1uc3 h ASN 79 Ca 0.04 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.53 1uc3 h ASN 79 Cb 0.29 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1uc3 h ASN 79 CO 0.02 0.82 -0.37 0.00 -1.65 0.00 0.00 177.43 176.24 1uc3 h ALA 80 N 1.18 1.21 0.00 -0.83 0.00 -0.85 0.07 119.26 120.04 1uc3 h ALA 80 Ca -0.01 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 1uc3 h ALA 80 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1uc3 h ALA 80 CO 0.09 0.54 -0.90 0.28 0.00 0.00 0.00 179.25 179.26 1uc3 h VAL 81 N 0.15 1.45 -0.10 0.00 2.07 -1.20 -2.66 116.25 115.96 1uc3 h VAL 81 Ca 0.02 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 65.00 1uc3 h VAL 81 Cb 0.74 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1uc3 h VAL 81 CO 0.06 0.75 0.04 -1.13 0.02 0.00 0.00 177.57 177.30 1uc3 h ASN 82 N 0.16 0.14 -0.67 0.57 -1.24 -0.59 0.51 115.58 114.46 1uc3 h ASN 82 Ca -0.06 -0.16 0.12 0.00 0.71 0.00 0.00 56.30 56.90 1uc3 h ASN 82 Cb 1.53 -0.04 -0.08 0.00 0.73 0.00 0.00 38.32 40.46 1uc3 h ASN 82 CO 0.15 0.27 0.25 0.44 -1.29 0.00 0.00 177.43 177.24 1uc3 h ASP 83 N 0.01 0.23 -0.36 1.15 3.32 -0.98 0.44 116.42 120.23 1uc3 h ASP 83 Ca 0.03 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1uc3 h ASP 83 Cb 0.17 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1uc3 h ASP 83 CO -0.00 0.11 0.15 0.00 -1.72 0.00 0.00 179.24 177.78 1uc3 h ALA 84 N 1.48 0.47 -0.86 3.45 0.00 -1.09 -1.60 119.26 121.11 1uc3 h ALA 84 Ca 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1uc3 h ALA 84 Cb 0.49 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1uc3 h ALA 84 CO -0.36 0.06 0.52 0.28 0.00 0.00 0.00 179.25 179.75 1uc3 h VAL 85 N 0.44 1.24 0.00 0.00 2.07 0.57 -1.37 116.25 119.20 1uc3 h VAL 85 Ca 0.12 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1uc3 h VAL 85 Cb 0.17 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1uc3 h VAL 85 CO -0.01 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1uc3 h ALA 86 N 1.38 1.00 -0.15 1.67 0.00 0.26 -3.12 119.26 120.30 1uc3 h ALA 86 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1uc3 h ALA 86 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1uc3 h ALA 86 CO -0.06 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.62 1uc3 n SER 87 N -2.49 2.43 -0.32 0.00 7.64 -0.64 -4.75 113.62 115.48 1uc3 n SER 87 Ca 0.02 -2.04 0.18 0.00 1.01 0.00 0.00 58.87 58.04 1uc3 n SER 87 Cb 0.28 -0.11 0.39 0.00 -1.01 0.00 0.00 64.21 63.75 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 0.87 0.37 0.00 1.43 2.86 -1.22 0.69 114.93 119.93 1uc3 h MET 88 Ca 0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1uc3 h MET 88 Cb 0.62 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 1uc3 h MET 88 CO 0.00 0.25 -0.06 -0.44 1.06 0.00 0.00 176.91 177.72 1uc3 h ASP 89 N 0.39 0.00 -4.33 1.22 3.32 -1.86 -3.33 116.42 111.82 1uc3 h ASP 89 Ca 0.65 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 57.04 1uc3 h ASP 89 Cb 1.34 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.49 1uc3 h ASP 89 CO -0.57 0.06 -0.58 -0.62 -1.72 0.00 0.00 179.24 175.82 1uc3 s ASP 90 N -6.69 4.49 0.23 6.45 -1.08 0.24 -4.99 116.67 115.32 1uc3 s ASP 90 Ca -0.04 -3.00 -0.08 0.00 -0.52 0.00 0.00 52.55 48.90 1uc3 s ASP 90 Cb 0.16 -1.68 0.38 0.00 -1.46 0.00 0.00 42.92 40.32 1uc3 s ASP 90 CO 0.63 -0.25 1.68 0.74 0.52 0.00 0.00 175.17 178.48 1uc3 h THR 91 N 5.43 0.51 -0.51 1.71 2.02 -1.71 0.35 112.91 120.70 1uc3 h THR 91 Ca -0.07 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 66.99 1uc3 h THR 91 Cb 0.90 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1uc3 h THR 91 CO 0.69 0.04 0.08 -0.08 0.37 0.00 0.00 175.52 176.62 1uc3 h GLU 92 N 0.20 0.81 -0.52 6.66 4.22 -1.94 -0.03 114.58 123.98 1uc3 h GLU 92 Ca 0.37 -0.18 -0.12 0.00 0.08 0.00 0.00 59.36 59.51 1uc3 h GLU 92 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1uc3 h GLU 92 CO -0.51 0.76 -0.13 -0.22 -2.18 0.00 0.00 179.01 176.72 1uc3 h LYS 93 N 0.77 1.01 0.00 1.92 3.64 -1.45 -2.77 116.57 119.69 1uc3 h LYS 93 Ca 0.16 -0.39 -0.09 0.00 -1.27 0.00 0.00 60.65 59.06 1uc3 h LYS 93 Cb 0.35 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1uc3 h LYS 93 CO 0.01 1.07 -0.42 1.98 -2.27 0.00 0.00 179.45 179.82 1uc3 h MET 94 N 0.87 0.00 -0.23 1.90 4.05 -0.53 -3.23 114.93 117.77 1uc3 h MET 94 Ca 0.13 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.40 1uc3 h MET 94 Cb 0.71 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 1uc3 h MET 94 CO 0.05 0.42 -0.47 0.77 0.23 0.00 0.00 176.91 177.91 1uc3 h SER 95 N 0.00 0.65 -0.35 1.39 0.02 -0.73 -3.24 113.55 111.28 1uc3 h SER 95 Ca -0.00 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1uc3 h SER 95 Cb 0.78 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1uc3 h SER 95 CO 0.05 1.02 0.19 0.24 -1.14 0.00 0.00 176.83 177.19 1uc3 h MET 96 N 0.48 0.38 0.00 3.45 2.86 -1.54 0.22 114.93 120.78 1uc3 h MET 96 Ca 0.03 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1uc3 h MET 96 Cb 1.00 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1uc3 h MET 96 CO 0.09 0.25 -0.52 0.87 1.06 0.00 0.00 176.91 178.67 1uc3 h LYS 97 N 0.39 0.00 0.14 1.72 1.57 -1.73 -2.54 116.57 116.12 1uc3 h LYS 97 Ca 0.14 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.68 1uc3 h LYS 97 Cb 0.03 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.36 1uc3 h LYS 97 CO -0.08 0.52 -1.03 -0.07 -0.57 0.00 0.00 179.45 178.21 1uc3 h LEU 98 N 0.00 0.67 -1.31 2.94 3.38 -1.50 -1.81 115.31 117.68 1uc3 h LEU 98 Ca -0.01 -0.88 -0.02 0.00 0.09 0.00 0.00 57.88 57.06 1uc3 h LEU 98 Cb 1.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1uc3 h LEU 98 CO 0.07 1.49 0.20 0.03 0.09 0.00 0.00 178.44 180.32 1uc3 h ARG 99 N -0.05 0.67 -0.35 1.13 3.08 -0.60 0.11 114.38 118.37 1uc3 h ARG 99 Ca -0.17 -0.09 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 1uc3 h ARG 99 Cb 1.77 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 1uc3 h ARG 99 CO 0.20 0.54 -0.31 0.22 -1.07 0.00 0.00 179.97 179.55 1uc3 h ASP 100 N 0.66 0.79 0.27 7.04 -0.00 -1.48 -1.66 116.42 122.05 1uc3 h ASP 100 Ca 0.16 -0.32 -0.14 0.00 -0.00 0.00 0.00 57.03 56.73 1uc3 h ASP 100 Cb 0.12 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.22 1uc3 h ASP 100 CO -0.02 1.04 -0.55 0.25 -0.00 0.00 0.00 179.24 179.96 1uc3 h LEU 101 N 0.64 0.33 -0.18 2.28 5.85 -0.37 -2.96 115.31 120.90 1uc3 h LEU 101 Ca 0.07 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1uc3 h LEU 101 Cb 0.84 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1uc3 h LEU 101 CO 0.07 0.82 0.09 -1.28 -0.34 0.00 0.00 178.44 177.81 1uc3 h SER 102 N 0.23 0.24 -0.96 1.25 0.87 -0.50 -2.16 113.55 112.53 1uc3 h SER 102 Ca 0.00 -0.11 0.17 0.00 -1.23 0.00 0.00 61.79 60.63 1uc3 h SER 102 Cb 1.05 -0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.86 1uc3 h SER 102 CO 0.09 0.27 0.61 1.23 -0.53 0.00 0.00 176.83 178.50 1uc3 h GLY 103 N 0.18 1.42 1.21 5.77 0.00 -1.15 -0.06 103.07 110.43 1uc3 h GLY 103 Ca 0.06 -0.32 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 1uc3 h GLY 103 CO -0.01 0.02 -0.39 0.50 0.00 0.00 0.00 176.54 176.66 1uc3 h LYS 104 N 0.70 0.87 -0.01 4.80 1.57 -1.34 0.42 116.57 123.58 1uc3 h LYS 104 Ca 0.51 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1uc3 h LYS 104 Cb 0.86 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1uc3 h LYS 104 CO -0.27 1.10 0.00 0.45 -0.57 0.00 0.00 179.45 180.16 1uc3 h HIS 105 N 0.71 0.02 -0.00 -1.35 3.86 -0.54 0.13 115.15 117.97 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 0.97 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1uc3 h HIS 105 CO 0.06 0.23 -0.01 0.00 0.86 0.00 0.00 177.93 179.07 1uc3 h ALA 106 N 0.79 0.01 0.06 2.45 0.00 -1.09 0.51 119.26 121.98 1uc3 h ALA 106 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 1uc3 h ALA 106 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1uc3 h ALA 106 CO -0.00 -0.19 -1.07 0.87 0.00 0.00 0.00 179.25 178.86 1uc3 h LYS 107 N -0.57 0.21 0.00 0.00 1.57 -1.02 -3.36 116.57 113.40 1uc3 h LYS 107 Ca -0.00 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 1uc3 h LYS 107 Cb 0.60 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1uc3 h LYS 107 CO 0.00 1.10 -1.33 0.43 -0.57 0.00 0.00 179.45 179.08 1uc3 n SER 108 N -3.55 0.88 0.21 0.86 7.64 -0.59 -4.73 113.62 114.34 1uc3 n SER 108 Ca -0.05 0.06 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1uc3 n SER 108 Cb 0.93 -0.16 0.28 0.00 -1.01 0.00 0.00 64.21 64.25 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 -0.18 0.00 -6.43 1.43 0.04 -0.77 -3.47 116.94 107.55 1uc3 h PHE 109 Ca -0.15 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.13 1uc3 h PHE 109 Cb 1.14 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.21 1uc3 h PHE 109 CO -0.02 0.14 -0.78 1.04 -0.60 0.00 0.00 178.31 178.09 1uc3 n GLN 110 N -3.17 -4.89 -2.94 1.51 6.02 0.17 -4.94 117.38 109.15 1uc3 n GLN 110 Ca 0.02 0.54 -0.40 0.00 -0.01 0.00 0.00 57.00 57.15 1uc3 n GLN 110 Cb 0.51 -5.38 -0.05 0.00 1.02 0.00 0.00 30.24 26.34 1uc3 n GLN 110 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1uc3 s VAL 111 N -3.30 4.57 0.08 5.09 -7.23 -0.97 -4.99 120.40 113.65 1uc3 s VAL 111 Ca 0.69 1.72 -0.31 0.00 -1.81 0.00 0.00 61.98 62.26 1uc3 s VAL 111 Cb -0.35 -4.15 -0.10 0.00 0.56 0.00 0.00 36.38 32.33 1uc3 s VAL 111 CO 0.86 0.41 1.88 -0.67 -0.31 0.00 0.00 175.10 177.27 1uc3 n ASP 112 N 2.38 4.00 0.10 4.85 -0.08 -1.26 -4.78 116.55 121.76 1uc3 n ASP 112 Ca -0.03 0.96 0.08 0.00 -1.51 0.00 0.00 54.79 54.30 1uc3 n ASP 112 Cb 0.49 -1.52 0.40 0.00 2.34 0.00 0.00 41.12 42.83 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 6.23 0.11 -0.36 -0.67 -0.04 -1.26 -3.09 135.00 135.92 1uc3 n PRO 113 Ca 0.19 0.50 0.09 0.00 -0.04 0.00 0.00 63.50 64.24 1uc3 n PRO 113 Cb 0.37 -1.78 0.27 0.00 -0.04 0.00 0.00 33.50 32.33 1uc3 n PRO 113 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1uc3 h GLN 114 N 0.00 0.89 -0.00 0.54 4.15 -2.02 -3.03 115.11 115.64 1uc3 h GLN 114 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1uc3 h GLN 114 Cb 0.13 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1uc3 h GLN 114 CO 0.00 0.59 -0.08 0.66 -1.93 0.00 0.00 178.83 178.07 1uc3 n TYR 115 N -4.67 0.00 -0.12 3.99 4.01 -1.18 -4.17 117.16 115.02 1uc3 n TYR 115 Ca 0.20 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.88 1uc3 n TYR 115 Cb 0.43 -0.22 0.02 0.00 -0.31 0.00 0.00 39.34 39.27 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 0.36 0.37 -0.03 -0.72 0.04 -1.77 -2.11 116.94 113.08 1uc3 h PHE 116 Ca 0.00 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 1uc3 h PHE 116 Cb 0.33 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1uc3 h PHE 116 CO 0.00 0.19 -0.42 1.57 -0.60 0.00 0.00 178.31 179.05 1uc3 h LYS 117 N 0.41 0.05 -0.29 1.51 2.10 -1.81 -1.69 116.57 116.84 1uc3 h LYS 117 Ca 0.17 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.72 1uc3 h LYS 117 Cb 0.07 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 1uc3 h LYS 117 CO -0.12 0.47 -0.12 0.28 -2.00 0.00 0.00 179.45 177.96 1uc3 h VAL 118 N 0.05 1.29 -0.40 0.07 2.07 -1.67 -0.68 116.25 116.98 1uc3 h VAL 118 Ca 0.00 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.20 1uc3 h VAL 118 Cb 0.77 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1uc3 h VAL 118 CO 0.06 0.38 -0.20 0.25 0.02 0.00 0.00 177.57 178.08 1uc3 h LEU 119 N 0.35 0.79 -1.01 2.57 5.85 -1.32 -2.69 115.31 119.85 1uc3 h LEU 119 Ca 0.07 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1uc3 h LEU 119 Cb 0.64 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1uc3 h LEU 119 CO 0.04 0.98 0.48 0.00 -0.34 0.00 0.00 178.44 179.60 1uc3 h ALA 120 N 1.08 1.25 0.00 1.25 0.00 -1.13 -1.42 119.26 120.30 1uc3 h ALA 120 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1uc3 h ALA 120 Cb 0.71 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1uc3 h ALA 120 CO 0.05 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 1uc3 h ALA 121 N 1.35 1.87 -0.14 0.00 0.00 -0.79 -0.14 119.26 121.41 1uc3 h ALA 121 Ca 0.30 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1uc3 h ALA 121 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1uc3 h ALA 121 CO -0.05 0.08 -0.32 0.28 0.00 0.00 0.00 179.25 179.23 1uc3 h VAL 122 N 0.00 1.36 0.08 0.00 2.07 -1.12 -1.39 116.25 117.25 1uc3 h VAL 122 Ca -0.00 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 65.93 1uc3 h VAL 122 Cb 0.11 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1uc3 h VAL 122 CO 0.01 0.48 -0.13 0.40 0.02 0.00 0.00 177.57 178.34 1uc3 h ILE 123 N 0.08 0.69 -0.36 4.57 2.04 -0.78 -1.21 117.51 122.54 1uc3 h ILE 123 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1uc3 h ILE 123 Cb 0.93 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 1uc3 h ILE 123 CO 0.07 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.34 1uc3 h ALA 124 N 0.63 0.41 0.00 1.87 0.00 -1.08 0.19 119.26 121.28 1uc3 h ALA 124 Ca 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1uc3 h ALA 124 Cb 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1uc3 h ALA 124 CO -0.08 -0.27 -0.13 0.22 0.00 0.00 0.00 179.25 178.99 1uc3 h ASP 125 N 0.27 0.00 0.39 0.00 3.58 -1.02 -0.18 116.42 119.46 1uc3 h ASP 125 Ca 0.16 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.30 1uc3 h ASP 125 Cb 0.14 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.20 1uc3 h ASP 125 CO -0.17 0.13 -1.51 0.74 -2.88 0.00 0.00 179.24 175.55 1uc3 h THR 126 N 0.00 1.20 0.00 2.25 2.02 -0.33 -3.34 112.91 114.72 1uc3 h THR 126 Ca -0.00 -2.76 -0.05 0.00 0.77 0.00 0.00 66.41 64.37 1uc3 h THR 126 Cb 0.23 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1uc3 h THR 126 CO 0.02 0.84 -0.30 0.58 0.37 0.00 0.00 175.52 177.03 1uc3 h VAL 127 N 0.10 1.20 -1.17 3.16 2.07 -0.45 -3.45 116.25 117.70 1uc3 h VAL 127 Ca -0.25 -2.00 -0.25 0.00 0.82 0.00 0.00 66.70 65.02 1uc3 h VAL 127 Cb 2.07 2.37 -0.21 0.00 -1.52 0.00 0.00 31.29 34.00 1uc3 h VAL 127 CO 0.20 0.41 -0.60 0.00 0.02 0.00 0.00 177.57 177.60 1uc3 n ALA 128 N -2.87 -0.83 -1.66 1.67 0.00 -0.10 -4.79 120.51 111.92 1uc3 n ALA 128 Ca -0.13 -1.52 -0.44 0.00 0.00 0.00 0.00 53.44 51.35 1uc3 n ALA 128 Cb 0.43 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 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 2.74 0.84 0.00 0.00 0.00 -1.05 -1.84 120.51 121.20 1uc3 n ALA 129 Ca 0.19 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1uc3 n ALA 129 Cb 0.55 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 1.65 2.29 3.67 0.00 0.00 -1.26 -4.96 105.19 106.58 1uc3 n GLY 130 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.18 6.65 0.26 1.61 2.15 -0.77 -4.87 116.67 119.52 1uc3 s ASP 131 Ca 0.00 2.32 0.09 0.00 0.43 0.00 0.00 52.55 55.38 1uc3 s ASP 131 Cb 0.00 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.38 1uc3 s ASP 131 CO 0.00 -0.91 1.58 0.00 -0.17 0.00 0.00 175.17 175.68 1uc3 h ALA 132 N 9.17 0.92 -0.04 3.66 0.00 -1.93 -2.67 119.26 128.37 1uc3 h ALA 132 Ca -0.41 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 53.93 1uc3 h ALA 132 Cb 1.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1uc3 h ALA 132 CO 0.94 0.77 0.01 0.78 0.00 0.00 0.00 179.25 181.75 1uc3 h GLY 133 N 1.77 0.06 1.22 0.00 0.00 -1.91 -2.31 103.07 101.91 1uc3 h GLY 133 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1uc3 h GLY 133 CO 0.09 0.04 0.14 -2.75 0.00 0.00 0.00 176.54 174.06 1uc3 h PHE 134 N -0.19 1.01 -0.50 5.60 3.57 -1.86 -2.05 116.94 122.52 1uc3 h PHE 134 Ca 0.01 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.41 1uc3 h PHE 134 Cb 0.27 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1uc3 h PHE 134 CO 0.01 0.84 0.33 0.93 -2.23 0.00 0.00 178.31 178.20 1uc3 h GLU 135 N 0.93 0.66 -0.49 1.11 5.08 -1.39 -1.23 114.58 119.24 1uc3 h GLU 135 Ca 0.20 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1uc3 h GLU 135 Cb 0.34 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1uc3 h GLU 135 CO 0.00 0.43 -0.05 0.87 -1.00 0.00 0.00 179.01 179.26 1uc3 h LYS 136 N 0.68 0.90 -0.58 2.33 1.57 -0.79 -0.81 116.57 119.85 1uc3 h LYS 136 Ca 0.18 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1uc3 h LYS 136 Cb -0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1uc3 h LYS 136 CO -0.04 0.96 0.36 1.25 -0.57 0.00 0.00 179.45 181.41 1uc3 h LEU 137 N 0.75 0.70 -0.36 2.94 6.46 -0.96 -0.72 115.31 124.12 1uc3 h LEU 137 Ca 0.13 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1uc3 h LEU 137 Cb 0.59 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 1uc3 h LEU 137 CO 0.04 0.54 0.20 0.24 -0.62 0.00 0.00 178.44 178.84 1uc3 h MET 138 N 0.79 0.39 -0.56 1.25 2.86 -0.96 -1.02 114.93 117.69 1uc3 h MET 138 Ca 0.21 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 1uc3 h MET 138 Cb -0.03 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.50 1uc3 h MET 138 CO -0.04 0.26 0.31 0.77 1.06 0.00 0.00 176.91 179.27 1uc3 h SER 139 N 0.40 0.47 -0.88 1.22 0.02 -0.65 0.16 113.55 114.29 1uc3 h SER 139 Ca 0.15 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1uc3 h SER 139 Cb 0.03 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.44 1uc3 h SER 139 CO -0.08 0.33 0.58 0.24 -1.14 0.00 0.00 176.83 176.75 1uc3 h MET 140 N 0.60 1.10 -0.16 3.45 2.07 -0.61 0.16 114.93 121.55 1uc3 h MET 140 Ca 0.24 -0.07 -0.04 0.00 -2.07 0.00 0.00 59.70 57.76 1uc3 h MET 140 Cb 0.10 -0.25 -0.00 0.00 -1.87 0.00 0.00 31.60 29.57 1uc3 h MET 140 CO -0.14 0.73 -0.08 0.82 1.07 0.00 0.00 176.91 179.32 1uc3 h ILE 141 N 1.14 1.31 -0.89 -1.22 2.04 -0.52 -2.65 117.51 116.72 1uc3 h ILE 141 Ca 0.34 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 65.10 1uc3 h ILE 141 Cb -0.04 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 1uc3 h ILE 141 CO -0.10 0.33 0.58 0.00 0.00 0.00 0.00 178.15 178.96 1uc3 h ILE 143 N 1.17 1.21 0.00 0.00 2.04 -0.63 -2.21 117.51 119.09 1uc3 h ILE 143 Ca 0.33 -0.60 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 1uc3 h ILE 143 Cb -0.10 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.33 1uc3 h ILE 143 CO -0.08 0.25 -0.57 -0.07 0.00 0.00 0.00 178.15 177.68 1uc3 h LEU 144 N 0.94 0.00 -1.27 1.44 3.38 -1.03 -2.98 115.31 115.79 1uc3 h LEU 144 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1uc3 h LEU 144 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1uc3 h LEU 144 CO -0.03 0.57 -0.05 -0.07 0.09 0.00 0.00 178.44 178.95 1uc3 h LEU 145 N 0.00 0.00 -2.28 1.67 3.38 -0.59 -2.65 115.31 114.84 1uc3 h LEU 145 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uc3 h LEU 145 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1uc3 h LEU 145 CO 0.07 0.05 0.00 0.54 0.09 0.00 0.00 178.44 179.19 1uc3 n ARG 146 N -3.16 2.44 0.29 1.13 1.74 -1.03 -4.50 116.66 113.57 1uc3 n ARG 146 Ca 0.01 -2.21 0.18 0.00 -0.77 0.00 0.00 57.85 55.06 1uc3 n ARG 146 Cb 0.35 -1.49 0.79 0.00 -1.02 0.00 0.00 32.46 31.09 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 4.36 0.00 0.16 0.55 4.64 -1.33 -2.66 113.55 119.27 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 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1uc3 h SER 147 CO 0.00 0.00 -0.42 0.00 -0.87 0.00 0.00 176.83 175.54 1uc3 n ALA 148 N -2.08 3.45 1.81 5.18 0.00 -1.26 -5.06 120.51 122.55 1uc3 n ALA 148 Ca -0.00 -0.49 0.15 0.00 0.00 0.00 0.00 53.44 53.10 1uc3 n ALA 148 Cb 0.26 -0.99 0.79 0.00 0.00 0.00 0.00 19.45 19.51 1uc3 n ALA 148 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16