#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1un3 h SER 4 N 0.00 0.37 0.32 0.00 4.64 -2.03 -1.72 113.55 115.14 1un3 h SER 4 Ca 0.00 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1un3 h SER 4 Cb 0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1un3 h SER 4 CO 0.00 0.50 -0.62 0.03 -0.87 0.00 0.00 176.83 175.87 1un3 h ARG 5 N 0.37 0.29 -0.32 4.77 3.08 -1.96 -0.88 114.38 119.73 1un3 h ARG 5 Ca 0.08 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.84 1un3 h ARG 5 Cb 0.39 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1un3 h ARG 5 CO 0.02 0.82 -0.13 -0.92 -1.07 0.00 0.00 179.97 178.69 1un3 h TYR 6 N 0.21 0.76 -0.44 3.04 3.20 -1.63 -0.73 116.97 121.38 1un3 h TYR 6 Ca -0.01 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 61.72 1un3 h TYR 6 Cb 1.14 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1un3 h TYR 6 CO 0.03 0.87 0.22 1.15 -1.64 0.00 0.00 178.16 178.78 1un3 h THR 7 N 0.43 0.96 -0.94 1.81 2.02 -1.24 -1.65 112.91 114.31 1un3 h THR 7 Ca 0.08 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1un3 h THR 7 Cb 0.65 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.50 1un3 h THR 7 CO 0.04 0.08 0.57 -0.74 0.37 0.00 0.00 175.52 175.85 1un3 h HIS 8 N 0.44 1.24 -0.41 3.16 -0.00 -1.07 -1.72 115.15 116.79 1un3 h HIS 8 Ca 0.19 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1un3 h HIS 8 Cb 0.10 -0.41 -0.03 0.00 -0.00 0.00 0.00 27.41 27.08 1un3 h HIS 8 CO -0.10 0.82 0.24 0.35 -0.00 0.00 0.00 177.93 179.23 1un3 h PHE 9 N 1.30 0.45 -0.47 5.26 3.57 -0.64 -0.74 116.94 125.68 1un3 h PHE 9 Ca 0.34 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 1un3 h PHE 9 Cb -0.06 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 1un3 h PHE 9 CO 0.01 0.26 0.17 -0.07 -2.23 0.00 0.00 178.31 176.45 1un3 h LEU 10 N 0.48 0.65 -0.86 0.59 3.38 -0.95 0.13 115.31 118.74 1un3 h LEU 10 Ca 0.16 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1un3 h LEU 10 Cb 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1un3 h LEU 10 CO -0.08 0.66 0.35 0.74 0.09 0.00 0.00 178.44 180.20 1un3 h THR 11 N 0.61 1.26 0.00 0.22 2.02 -1.06 -1.47 112.91 114.49 1un3 h THR 11 Ca 0.15 -0.77 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 1un3 h THR 11 Cb 0.22 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1un3 h THR 11 CO -0.01 0.32 -0.73 1.56 0.37 0.00 0.00 175.52 177.04 1un3 h GLN 12 N 1.16 0.00 0.00 6.66 4.20 -0.97 -3.42 115.11 122.74 1un3 h GLN 12 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 1un3 h GLN 12 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1un3 h GLN 12 CO -0.03 0.31 0.00 0.72 -0.67 0.00 0.00 178.83 179.16 1un3 n HIS 13 N -3.05 0.00 -4.67 2.96 8.25 0.02 -4.79 115.22 113.94 1un3 n HIS 13 Ca -0.01 -0.02 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 1un3 n HIS 13 Cb 0.71 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.65 1un3 n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1un3 s TYR 14 N -0.04 2.18 -0.17 4.41 5.04 -0.56 -0.23 117.35 128.00 1un3 s TYR 14 Ca 0.00 -1.00 -0.04 0.00 -2.44 0.00 0.00 57.07 53.59 1un3 s TYR 14 Cb 0.00 -1.53 0.06 0.00 0.35 0.00 0.00 41.96 40.84 1un3 s TYR 14 CO 0.00 -0.47 0.07 0.34 -1.34 0.00 0.00 175.55 174.15 1un3 s ASP 15 N 0.79 2.39 0.09 4.32 2.15 -0.69 -4.81 116.67 120.92 1un3 s ASP 15 Ca -0.10 -0.61 -0.23 0.00 0.43 0.00 0.00 52.55 52.05 1un3 s ASP 15 Cb -0.16 -0.33 -0.14 0.00 -0.30 0.00 0.00 42.92 41.99 1un3 s ASP 15 CO 0.01 -0.33 1.74 0.00 -0.17 0.00 0.00 175.17 176.42 1un3 h ALA 16 N 8.37 0.02 -2.18 3.66 0.00 -1.81 -3.36 119.26 123.95 1un3 h ALA 16 Ca -0.15 -0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.24 1un3 h ALA 16 Cb 1.14 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 18.57 1un3 h ALA 16 CO 0.29 -0.48 -0.89 -1.59 0.00 0.00 0.00 179.25 176.58 1un3 s LYS 17 N -6.18 0.87 0.60 0.00 -2.85 -1.26 -1.14 119.74 109.78 1un3 s LYS 17 Ca -0.13 -1.83 -0.16 0.00 -1.00 0.00 0.00 55.97 52.85 1un3 s LYS 17 Cb 0.06 -1.19 -0.03 0.00 -2.06 0.00 0.00 37.83 34.61 1un3 s LYS 17 CO 0.66 -1.35 1.08 -1.25 0.10 0.00 0.00 175.35 174.59 1un3 s PRO 18 N 0.34 3.21 0.00 1.78 0.04 -1.26 -5.02 135.00 134.09 1un3 s PRO 18 Ca 0.30 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1un3 s PRO 18 Cb -0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1un3 s PRO 18 CO -0.15 -0.91 0.00 1.04 0.04 0.00 0.00 177.00 177.02 1un3 n GLN 19 N -1.98 0.00 -2.16 4.56 6.02 -1.26 -4.95 117.38 117.61 1un3 n GLN 19 Ca 0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.78 1un3 n GLN 19 Cb 0.52 -0.23 -0.01 0.00 1.02 0.00 0.00 30.24 31.54 1un3 n GLN 19 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1un3 s GLY 20 N -1.03 1.84 -0.34 1.08 0.00 -1.26 -5.00 107.32 102.62 1un3 s GLY 20 Ca 0.00 0.01 0.15 0.00 0.00 0.00 0.00 44.72 44.88 1un3 s GLY 20 CO 0.00 0.28 1.03 0.54 0.00 0.00 0.00 173.10 174.94 1un3 n ARG 21 N -2.17 1.92 -2.45 2.90 1.74 -1.26 -4.83 116.66 112.51 1un3 n ARG 21 Ca 0.06 -3.64 -0.07 0.00 -0.77 0.00 0.00 57.85 53.42 1un3 n ARG 21 Cb 0.54 -1.60 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1un3 n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1un3 n ASP 22 N -0.28 2.02 -0.35 0.55 5.68 -1.26 -4.53 116.55 118.38 1un3 n ASP 22 Ca 0.18 -1.52 -0.03 0.00 -0.50 0.00 0.00 54.79 52.92 1un3 n ASP 22 Cb 0.79 0.05 0.10 0.00 -1.14 0.00 0.00 41.12 40.92 1un3 n ASP 22 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1un3 h ASP 23 N 0.25 1.10 -0.77 -1.12 3.32 -1.89 -2.03 116.42 115.29 1un3 h ASP 23 Ca -0.10 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1un3 h ASP 23 Cb 0.31 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1un3 h ASP 23 CO 0.16 0.82 0.37 -0.09 -1.72 0.00 0.00 179.24 178.78 1un3 h ARG 24 N 1.29 1.13 -0.15 3.56 1.12 -1.96 -1.30 114.38 118.07 1un3 h ARG 24 Ca 0.34 -0.16 0.01 0.00 -1.11 0.00 0.00 59.98 59.06 1un3 h ARG 24 Cb -0.12 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 29.62 1un3 h ARG 24 CO -0.07 0.87 0.07 -0.92 -3.11 0.00 0.00 179.97 176.81 1un3 h TYR 25 N 1.12 0.14 -0.55 2.20 3.20 -1.73 -1.41 116.97 119.94 1un3 h TYR 25 Ca 0.27 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.17 1un3 h TYR 25 Cb 0.12 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 1un3 h TYR 25 CO 0.01 0.08 0.34 0.00 -1.64 0.00 0.00 178.16 176.96 1un3 h GLU 27 N 0.68 1.17 0.12 0.00 5.08 -1.01 -1.34 114.58 119.30 1un3 h GLU 27 Ca 0.22 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1un3 h GLU 27 Cb -0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1un3 h GLU 27 CO -0.08 0.89 -0.06 1.03 -1.00 0.00 0.00 179.01 179.79 1un3 h SER 28 N 1.16 -0.14 0.20 1.42 0.87 -0.78 -3.16 113.55 113.12 1un3 h SER 28 Ca 0.28 -0.36 -0.13 0.00 -1.23 0.00 0.00 61.79 60.35 1un3 h SER 28 Cb 0.10 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1un3 h SER 28 CO -0.04 0.32 -0.50 -0.29 -0.53 0.00 0.00 176.83 175.79 1un3 h ILE 29 N -0.63 1.34 -0.76 2.23 2.10 -0.97 -1.52 117.51 119.30 1un3 h ILE 29 Ca -0.02 -1.74 -0.03 0.00 1.08 0.00 0.00 64.86 64.16 1un3 h ILE 29 Cb 0.49 1.79 -0.04 0.00 -1.09 0.00 0.00 36.82 37.97 1un3 h ILE 29 CO 0.03 0.52 0.36 0.24 -1.08 0.00 0.00 178.15 178.22 1un3 h MET 30 N 0.28 1.09 -0.14 2.19 2.86 -1.35 -0.85 114.93 119.01 1un3 h MET 30 Ca 0.01 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1un3 h MET 30 Cb 0.98 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1un3 h MET 30 CO 0.08 0.84 -0.06 -0.09 1.06 0.00 0.00 176.91 178.74 1un3 h ARG 31 N 1.08 0.29 -0.48 1.72 2.43 -1.45 -0.89 114.38 117.08 1un3 h ARG 31 Ca 0.26 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1un3 h ARG 31 Cb 0.12 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1un3 h ARG 31 CO -0.03 0.61 0.29 0.00 -1.51 0.00 0.00 179.97 179.33 1un3 h ARG 32 N -0.05 0.65 -0.16 0.20 3.08 -1.02 -2.41 114.38 114.67 1un3 h ARG 32 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1un3 h ARG 32 Cb 0.52 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1un3 h ARG 32 CO 0.02 0.46 0.00 0.54 -1.07 0.00 0.00 179.97 179.92 1un3 n ARG 33 N -4.44 1.79 -2.10 0.04 5.12 -0.35 -4.94 116.66 111.79 1un3 n ARG 33 Ca 0.04 -1.19 -0.02 0.00 -1.93 0.00 0.00 57.85 54.75 1un3 n ARG 33 Cb 0.08 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1un3 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1un3 n GLY 34 N 1.17 0.37 1.25 -0.13 0.00 -0.91 -4.87 105.19 102.08 1un3 n GLY 34 Ca 0.17 -0.79 -0.01 0.00 0.00 0.00 0.00 46.02 45.38 1un3 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1un3 n LEU 35 N -0.31 4.51 -0.02 0.99 4.77 -0.35 -4.58 117.00 122.01 1un3 n LEU 35 Ca -0.02 -3.39 0.02 0.00 -0.03 0.00 0.00 56.01 52.60 1un3 n LEU 35 Cb 0.51 -0.63 0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1un3 n LEU 35 CO 0.03 0.95 0.51 0.35 -1.33 0.00 0.00 177.39 177.89 1un3 n THR 36 N -0.75 1.16 -3.53 -5.08 -2.24 -1.25 -1.87 114.28 100.73 1un3 n THR 36 Ca 0.32 -1.24 -0.28 0.00 -2.27 0.00 0.00 64.05 60.58 1un3 n THR 36 Cb 1.08 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 1un3 n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1un3 s SER 37 N -1.38 2.42 0.77 3.42 0.15 -1.26 -3.24 113.70 114.58 1un3 s SER 37 Ca 0.07 -3.14 -0.08 0.00 0.70 0.00 0.00 55.95 53.50 1un3 s SER 37 Cb 0.06 -0.73 0.10 0.00 -1.71 0.00 0.00 66.02 63.74 1un3 s SER 37 CO 0.01 -0.17 1.09 -2.16 1.20 0.00 0.00 173.24 173.21 1un3 s PRO 38 N -0.17 1.76 0.01 5.44 0.04 -1.26 -5.09 135.00 135.74 1un3 s PRO 38 Ca 0.29 -0.40 -0.33 0.00 0.04 0.00 0.00 61.00 60.59 1un3 s PRO 38 Cb -0.02 -2.11 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 1un3 s PRO 38 CO -0.16 -1.55 1.81 0.00 0.04 0.00 0.00 177.00 177.14 1un3 s LYS 40 N 3.17 4.49 0.06 0.00 2.20 -0.78 -4.94 119.74 123.94 1un3 s LYS 40 Ca 0.88 1.99 -0.17 0.00 -0.36 0.00 0.00 55.97 58.30 1un3 s LYS 40 Cb -0.64 -3.16 -0.14 0.00 -1.51 0.00 0.00 37.83 32.38 1un3 s LYS 40 CO 0.46 -0.03 1.31 0.22 -0.36 0.00 0.00 175.35 176.95 1un3 h ASP 41 N 4.06 0.62 -3.69 1.43 1.82 -1.93 -3.41 116.42 115.32 1un3 h ASP 41 Ca -0.47 -0.57 -0.21 0.00 -0.39 0.00 0.00 57.03 55.39 1un3 h ASP 41 Cb 1.22 -0.18 -0.28 0.00 0.68 0.00 0.00 39.33 40.77 1un3 h ASP 41 CO 0.69 1.07 -0.60 -0.63 -1.61 0.00 0.00 179.24 178.16 1un3 s ILE 42 N -3.98 -0.01 -0.16 2.25 1.01 -1.26 -0.50 121.20 118.54 1un3 s ILE 42 Ca -0.13 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.47 1un3 s ILE 42 Cb 0.06 -0.18 0.05 0.00 0.01 0.00 0.00 42.46 42.41 1un3 s ILE 42 CO 0.82 0.02 0.40 0.21 0.00 0.00 0.00 174.94 176.38 1un3 s ASN 43 N 0.34 -0.48 -0.11 3.58 2.47 -0.59 -5.00 114.94 115.16 1un3 s ASN 43 Ca -0.02 0.85 -0.09 0.00 0.42 0.00 0.00 52.86 54.01 1un3 s ASN 43 Cb -0.04 0.77 -0.04 0.00 -1.45 0.00 0.00 41.25 40.48 1un3 s ASN 43 CO -0.01 -0.18 0.20 -1.81 -3.72 0.00 0.00 177.10 171.58 1un3 s ASP 44 N 1.05 6.46 -0.16 -4.21 1.01 -1.26 -0.96 116.67 118.60 1un3 s ASP 44 Ca -0.07 0.55 -0.01 0.00 0.71 0.00 0.00 52.55 53.73 1un3 s ASP 44 Cb -0.07 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 1un3 s ASP 44 CO -0.09 0.35 -0.10 -0.36 0.21 0.00 0.00 175.17 175.18 1un3 s PHE 45 N -0.83 2.87 0.03 4.23 0.08 0.09 -4.45 117.98 120.00 1un3 s PHE 45 Ca 0.16 -0.77 -0.16 0.00 0.12 0.00 0.00 56.93 56.27 1un3 s PHE 45 Cb -0.13 -1.93 -0.06 0.00 -0.57 0.00 0.00 43.02 40.33 1un3 s PHE 45 CO 0.05 -0.34 0.47 0.42 -0.10 0.00 0.00 175.22 175.73 1un3 s ILE 46 N 0.74 4.91 0.38 0.64 1.01 0.69 -0.63 121.20 128.94 1un3 s ILE 46 Ca -0.05 0.98 0.08 0.00 0.00 0.00 0.00 60.65 61.66 1un3 s ILE 46 Cb -0.15 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.48 1un3 s ILE 46 CO 0.02 0.56 0.09 -1.00 0.00 0.00 0.00 174.94 174.61 1un3 s HIS 47 N -1.11 2.58 0.00 3.97 3.76 -0.47 -1.70 115.29 122.33 1un3 s HIS 47 Ca 0.26 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1un3 s HIS 47 Cb -0.18 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.78 1un3 s HIS 47 CO 0.16 0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.80 1un3 n GLY 48 N -1.09 -0.30 3.79 -2.22 0.00 -0.29 -4.50 105.19 100.59 1un3 n GLY 48 Ca -0.03 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 1un3 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1un3 s ASN 49 N -4.00 6.89 0.34 1.61 2.20 -1.26 -4.61 114.94 116.11 1un3 s ASN 49 Ca 0.00 1.06 0.04 0.00 -0.94 0.00 0.00 52.86 53.02 1un3 s ASN 49 Cb 0.00 -2.31 0.66 0.00 -2.00 0.00 0.00 41.25 37.60 1un3 s ASN 49 CO 0.00 0.21 1.96 0.50 -2.94 0.00 0.00 177.10 176.83 1un3 h LYS 50 N 5.20 0.82 -0.33 3.55 3.64 -1.98 -2.47 116.57 125.00 1un3 h LYS 50 Ca -0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1un3 h LYS 50 Cb 1.21 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1un3 h LYS 50 CO 0.66 0.54 0.22 0.07 -2.27 0.00 0.00 179.45 178.67 1un3 h ARG 51 N 0.85 0.44 -0.20 1.90 0.11 -2.00 -1.80 114.38 113.68 1un3 h ARG 51 Ca 0.31 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 60.25 1un3 h ARG 51 Cb 0.15 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 1un3 h ARG 51 CO -0.10 0.30 -0.36 1.03 0.10 0.00 0.00 179.97 180.94 1un3 h SER 52 N 0.45 0.44 -0.05 0.08 0.87 -1.86 -1.63 113.55 111.85 1un3 h SER 52 Ca 0.12 -0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 1un3 h SER 52 Cb -0.05 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.79 1un3 h SER 52 CO -0.03 0.76 -0.13 0.40 -0.53 0.00 0.00 176.83 177.30 1un3 h ILE 53 N 0.36 1.44 -0.91 2.23 2.04 -1.44 -3.19 117.51 118.04 1un3 h ILE 53 Ca 0.04 -1.51 0.10 0.00 1.00 0.00 0.00 64.86 64.49 1un3 h ILE 53 Cb 0.79 2.31 -0.08 0.00 -0.74 0.00 0.00 36.82 39.11 1un3 h ILE 53 CO 0.06 0.42 0.55 0.50 0.00 0.00 0.00 178.15 179.68 1un3 h LYS 54 N -0.35 0.88 0.00 2.37 3.64 -1.29 -2.01 116.57 119.80 1un3 h LYS 54 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1un3 h LYS 54 Cb 0.74 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1un3 h LYS 54 CO 0.03 0.58 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 1un3 n ALA 55 N -2.37 1.14 0.27 5.00 0.00 -0.62 -1.44 120.51 122.49 1un3 n ALA 55 Ca 0.16 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1un3 n ALA 55 Cb 0.30 -1.22 0.76 0.00 0.00 0.00 0.00 19.45 19.28 1un3 n ALA 55 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1un3 h ILE 56 N 0.00 0.65 0.00 0.00 2.04 -1.38 -2.05 117.51 116.77 1un3 h ILE 56 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1un3 h ILE 56 Cb 0.06 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1un3 h ILE 56 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.23 1un3 s GLU 58 N -2.28 1.80 0.50 0.00 2.02 -0.83 -4.89 118.70 115.02 1un3 s GLU 58 Ca 0.35 -2.05 0.25 0.00 0.02 0.00 0.00 54.97 53.54 1un3 s GLU 58 Cb 0.19 -0.97 1.30 0.00 0.10 0.00 0.00 34.13 34.75 1un3 s GLU 58 CO 0.38 -0.25 2.02 -0.97 0.02 0.00 0.00 175.26 176.45 1un3 h ASN 59 N 1.92 0.00 -0.73 -0.19 -1.24 -1.80 -2.28 115.58 111.26 1un3 h ASN 59 Ca -0.40 0.00 0.15 0.00 0.71 0.00 0.00 56.30 56.75 1un3 h ASN 59 Cb 1.26 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.21 1un3 h ASN 59 CO 0.69 0.16 0.23 0.50 -1.29 0.00 0.00 177.43 177.72 1un3 h LYS 60 N 0.00 0.34 0.00 6.67 3.11 -1.95 -3.30 116.57 121.44 1un3 h LYS 60 Ca -0.00 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.77 1un3 h LYS 60 Cb 0.41 -0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 31.47 1un3 h LYS 60 CO 0.02 0.22 -0.57 -1.71 -2.81 0.00 0.00 179.45 174.60 1un3 n ASN 61 N -5.08 0.59 -3.78 4.20 5.15 -0.87 -4.97 115.26 110.51 1un3 n ASN 61 Ca 0.14 -2.22 -0.10 0.00 -0.60 0.00 0.00 54.58 51.80 1un3 n ASN 61 Cb 0.43 -0.27 -0.07 0.00 -0.53 0.00 0.00 39.78 39.35 1un3 n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1un3 s GLY 62 N -1.56 -0.06 0.08 8.20 0.00 -0.86 -1.13 107.32 111.99 1un3 s GLY 62 Ca 0.14 -0.30 0.05 0.00 0.00 0.00 0.00 44.72 44.61 1un3 s GLY 62 CO -0.04 -0.51 -0.15 -1.31 0.00 0.00 0.00 173.10 171.09 1un3 s ASN 63 N -2.59 1.78 0.39 1.64 0.02 -0.17 -4.48 114.94 111.52 1un3 s ASN 63 Ca 0.01 -0.63 -0.27 0.00 -1.02 0.00 0.00 52.86 50.95 1un3 s ASN 63 Cb 0.02 -0.06 -0.11 0.00 0.02 0.00 0.00 41.25 41.12 1un3 s ASN 63 CO -0.09 -0.06 1.33 -2.65 0.02 0.00 0.00 177.10 175.65 1un3 n PRO 64 N 1.24 2.18 -3.73 -0.60 -0.02 -1.26 -0.96 135.00 131.85 1un3 n PRO 64 Ca -0.21 0.77 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 1un3 n PRO 64 Cb 0.54 -2.44 -0.14 0.00 -0.02 0.00 0.00 33.50 31.44 1un3 n PRO 64 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1un3 s HIS 65 N -1.14 -0.22 0.00 6.00 2.46 -0.72 -4.71 115.29 116.95 1un3 s HIS 65 Ca 0.57 0.61 0.00 0.00 0.47 0.00 0.00 55.06 56.71 1un3 s HIS 65 Cb -0.52 -0.07 0.00 0.00 -0.13 0.00 0.00 32.58 31.86 1un3 s HIS 65 CO 0.61 -0.21 0.00 0.54 -2.47 0.00 0.00 174.74 173.21 1un3 n ARG 66 N 4.42 0.00 -3.02 2.88 3.00 -1.26 -2.11 116.66 120.57 1un3 n ARG 66 Ca -0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.19 1un3 n ARG 66 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.92 1un3 n ARG 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 1un3 s GLU 67 N 0.00 3.38 -0.81 5.56 1.03 -1.26 -4.53 118.70 122.08 1un3 s GLU 67 Ca 0.00 -0.18 0.00 0.00 0.03 0.00 0.00 54.97 54.82 1un3 s GLU 67 Cb 0.00 -3.93 0.00 0.00 -0.80 0.00 0.00 34.13 29.40 1un3 s GLU 67 CO 0.00 -1.05 0.00 0.27 -1.33 0.00 0.00 175.26 173.15 1un3 n ASN 68 N 6.52 -4.33 -4.86 0.83 6.94 -1.25 -5.01 115.26 114.10 1un3 n ASN 68 Ca 0.01 0.19 -0.24 0.00 -0.02 0.00 0.00 54.58 54.52 1un3 n ASN 68 Cb 0.48 -2.50 -0.03 0.00 -2.36 0.00 0.00 39.78 35.37 1un3 n ASN 68 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1un3 s LEU 69 N -1.73 3.07 0.01 -4.53 1.43 -0.90 -4.62 118.68 111.42 1un3 s LEU 69 Ca 0.00 -1.01 0.02 0.00 -1.03 0.00 0.00 54.13 52.11 1un3 s LEU 69 Cb 0.00 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 1un3 s LEU 69 CO 0.00 -0.81 -0.07 -0.13 0.23 0.00 0.00 176.35 175.58 1un3 s ARG 70 N -4.14 0.49 -0.03 1.70 1.81 0.77 -1.76 118.95 117.79 1un3 s ARG 70 Ca 0.41 -0.41 0.02 0.00 -1.72 0.00 0.00 55.73 54.03 1un3 s ARG 70 Cb -0.01 -0.40 -0.03 0.00 -0.45 0.00 0.00 34.95 34.06 1un3 s ARG 70 CO 0.24 0.10 -0.08 -1.50 -0.68 0.00 0.00 175.30 173.38 1un3 s ILE 71 N -0.60 3.56 0.55 1.52 2.07 -0.13 -1.15 121.20 127.01 1un3 s ILE 71 Ca -0.02 -0.65 -0.19 0.00 -1.41 0.00 0.00 60.65 58.38 1un3 s ILE 71 Cb -0.05 -2.48 -0.06 0.00 0.13 0.00 0.00 42.46 40.00 1un3 s ILE 71 CO 0.00 0.51 1.09 -0.94 -1.91 0.00 0.00 174.94 173.69 1un3 s SER 72 N -1.05 5.84 -0.03 4.50 1.04 -0.50 -1.00 113.70 122.49 1un3 s SER 72 Ca 0.14 2.03 -0.17 0.00 0.48 0.00 0.00 55.95 58.43 1un3 s SER 72 Cb -0.11 -2.56 -0.32 0.00 0.10 0.00 0.00 66.02 63.12 1un3 s SER 72 CO 0.04 -1.13 0.84 0.11 0.98 0.00 0.00 173.24 174.07 1un3 h LYS 73 N 1.05 0.39 -7.17 4.02 1.57 -1.46 -3.44 116.57 111.53 1un3 h LYS 73 Ca -0.49 -0.67 -0.50 0.00 -1.87 0.00 0.00 60.65 57.12 1un3 h LYS 73 Cb 1.24 0.25 0.05 0.00 0.08 0.00 0.00 32.23 33.85 1un3 h LYS 73 CO 0.57 1.32 0.28 -1.54 -0.57 0.00 0.00 179.45 179.52 1un3 s SER 74 N -7.25 6.22 0.15 0.86 1.04 -1.26 -5.04 113.70 108.42 1un3 s SER 74 Ca -0.13 1.19 -0.05 0.00 0.48 0.00 0.00 55.95 57.44 1un3 s SER 74 Cb 0.03 -2.35 -0.06 0.00 0.10 0.00 0.00 66.02 63.74 1un3 s SER 74 CO 0.86 -0.76 0.39 -0.44 0.98 0.00 0.00 173.24 174.28 1un3 s SER 75 N -4.15 6.49 0.14 7.02 0.01 -1.26 -4.52 113.70 117.42 1un3 s SER 75 Ca 0.52 0.59 0.11 0.00 1.31 0.00 0.00 55.95 58.47 1un3 s SER 75 Cb -0.11 -2.09 -0.04 0.00 0.21 0.00 0.00 66.02 63.99 1un3 s SER 75 CO 0.50 0.04 -0.25 -0.36 0.41 0.00 0.00 173.24 173.57 1un3 s PHE 76 N -1.69 2.22 0.02 2.43 0.40 0.08 -4.88 117.98 116.57 1un3 s PHE 76 Ca 0.41 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 1un3 s PHE 76 Cb -0.12 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.18 1un3 s PHE 76 CO 0.25 0.35 1.29 -0.65 0.70 0.00 0.00 175.22 177.16 1un3 s GLN 77 N -2.19 4.35 -0.03 0.44 -0.21 -1.26 -1.54 119.66 119.22 1un3 s GLN 77 Ca 0.14 1.85 0.01 0.00 0.02 0.00 0.00 55.36 57.38 1un3 s GLN 77 Cb -0.09 -3.45 0.02 0.00 1.00 0.00 0.00 33.01 30.48 1un3 s GLN 77 CO 0.07 -0.42 -0.02 0.08 -2.12 0.00 0.00 175.29 172.87 1un3 s VAL 78 N 1.74 0.28 -0.21 1.09 1.01 -0.80 -1.37 120.40 122.14 1un3 s VAL 78 Ca 0.60 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 1un3 s VAL 78 Cb -0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 1un3 s VAL 78 CO 0.27 0.15 -0.03 -0.89 0.00 0.00 0.00 175.10 174.59 1un3 s THR 79 N 0.73 3.54 -0.16 3.92 2.01 0.20 -0.43 115.64 125.44 1un3 s THR 79 Ca -0.08 -0.44 -0.12 0.00 0.31 0.00 0.00 61.69 61.35 1un3 s THR 79 Cb -0.11 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.75 1un3 s THR 79 CO -0.01 0.43 0.24 -0.89 -0.69 0.00 0.00 174.62 173.70 1un3 s THR 80 N 1.26 5.34 -0.21 -0.82 2.01 -0.15 -0.73 115.64 122.34 1un3 s THR 80 Ca 0.03 0.43 -0.03 0.00 0.31 0.00 0.00 61.69 62.43 1un3 s THR 80 Cb -0.14 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1un3 s THR 80 CO -0.01 0.42 -0.06 0.00 -0.69 0.00 0.00 174.62 174.29 1un3 s LYS 82 N 1.32 3.11 0.31 0.00 1.02 -0.36 -1.54 119.74 123.60 1un3 s LYS 82 Ca 0.04 -0.82 -0.29 0.00 0.02 0.00 0.00 55.97 54.92 1un3 s LYS 82 Cb -0.14 -2.49 -0.10 0.00 -0.52 0.00 0.00 37.83 34.58 1un3 s LYS 82 CO -0.03 0.03 1.37 -1.17 -0.92 0.00 0.00 175.35 174.63 1un3 s LEU 83 N 0.73 4.40 0.09 3.17 2.96 0.34 -1.08 118.68 129.30 1un3 s LEU 83 Ca -0.08 2.72 0.10 0.00 -0.22 0.00 0.00 54.13 56.65 1un3 s LEU 83 Cb -0.16 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 1un3 s LEU 83 CO 0.01 -0.62 -0.25 -2.28 -1.32 0.00 0.00 176.35 171.88 1un3 s HIS 84 N -0.79 2.35 0.00 5.38 5.65 -0.06 -4.88 115.29 122.94 1un3 s HIS 84 Ca 0.52 -0.37 0.00 0.00 0.25 0.00 0.00 55.06 55.46 1un3 s HIS 84 Cb -0.41 -1.32 0.00 0.00 -1.18 0.00 0.00 32.58 29.67 1un3 s HIS 84 CO 0.51 0.26 0.00 0.41 -0.65 0.00 0.00 174.74 175.27 1un3 n GLY 85 N 1.25 -0.39 0.67 1.59 0.00 -1.26 -4.40 105.19 102.66 1un3 n GLY 85 Ca -0.17 -1.82 0.07 0.00 0.00 0.00 0.00 46.02 44.10 1un3 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1un3 n GLY 86 N -0.44 1.23 3.62 -0.02 0.00 -1.26 -5.00 105.19 103.32 1un3 n GLY 86 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1un3 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1un3 s SER 87 N -1.09 4.85 0.00 1.61 0.15 -1.26 -5.00 113.70 112.96 1un3 s SER 87 Ca 0.22 0.02 0.26 0.00 0.70 0.00 0.00 55.95 57.15 1un3 s SER 87 Cb 0.13 -1.26 1.28 0.00 -1.71 0.00 0.00 66.02 64.46 1un3 s SER 87 CO 0.19 0.36 1.87 -2.65 1.20 0.00 0.00 173.24 174.20 1un3 n PRO 88 N 2.10 0.33 -4.38 5.44 -0.02 -1.26 -4.87 135.00 132.34 1un3 n PRO 88 Ca -0.18 0.04 -0.28 0.00 -2.02 0.00 0.00 63.50 61.07 1un3 n PRO 88 Cb 0.53 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.39 1un3 n PRO 88 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1un3 s TRP 89 N -2.62 2.39 0.63 6.00 0.52 -1.26 -0.16 118.94 124.43 1un3 s TRP 89 Ca 0.23 -0.33 -0.18 0.00 0.02 0.00 0.00 56.10 55.83 1un3 s TRP 89 Cb 0.17 -1.23 -0.02 0.00 -1.15 0.00 0.00 33.47 31.24 1un3 s TRP 89 CO 0.40 0.43 1.24 -2.30 0.02 0.00 0.00 176.95 176.74 1un3 n PRO 90 N 0.53 1.14 -2.57 4.98 -0.02 -1.26 -4.46 135.00 133.33 1un3 n PRO 90 Ca -0.14 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 1un3 n PRO 90 Cb 0.54 -2.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 1un3 n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1un3 s PRO 91 N -3.20 4.58 -0.37 0.52 0.04 -1.26 -5.14 135.00 130.17 1un3 s PRO 91 Ca 0.80 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 63.32 1un3 s PRO 91 Cb -0.39 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1un3 s PRO 91 CO 0.42 0.20 0.39 0.00 0.04 0.00 0.00 177.00 178.06 1un3 s GLN 93 N 2.06 4.10 0.10 0.00 1.11 -1.26 -4.84 119.66 120.94 1un3 s GLN 93 Ca 0.12 0.02 0.09 0.00 0.01 0.00 0.00 55.36 55.59 1un3 s GLN 93 Cb -0.17 -3.38 -0.03 0.00 -1.01 0.00 0.00 33.01 28.42 1un3 s GLN 93 CO 0.12 0.36 -0.22 0.71 0.01 0.00 0.00 175.29 176.28 1un3 s TYR 94 N 0.11 1.86 -0.14 0.91 2.02 -1.26 -0.88 117.35 119.97 1un3 s TYR 94 Ca 0.15 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1un3 s TYR 94 Cb -0.13 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 1un3 s TYR 94 CO 0.03 0.22 -0.04 0.50 -1.57 0.00 0.00 175.55 174.69 1un3 s ARG 95 N -1.88 3.52 -0.05 -0.62 3.52 -0.24 -4.68 118.95 118.52 1un3 s ARG 95 Ca 0.07 -0.52 -0.05 0.00 -0.13 0.00 0.00 55.73 55.10 1un3 s ARG 95 Cb -0.10 -2.86 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1un3 s ARG 95 CO 0.04 0.32 0.18 0.00 -0.81 0.00 0.00 175.30 175.03 1un3 s ALA 96 N 0.15 3.90 -0.15 6.12 0.00 -1.26 -1.22 121.76 129.30 1un3 s ALA 96 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1un3 s ALA 96 Cb -0.14 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.05 1un3 s ALA 96 CO 0.03 0.67 -0.13 0.99 0.00 0.00 0.00 175.76 177.32 1un3 s THR 97 N -1.19 1.53 -0.77 0.00 2.01 -0.30 -4.86 115.64 112.08 1un3 s THR 97 Ca 0.22 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.39 1un3 s THR 97 Cb -0.13 -1.48 0.16 0.00 0.01 0.00 0.00 72.50 71.07 1un3 s THR 97 CO 0.12 0.40 0.82 0.00 -0.69 0.00 0.00 174.62 175.26 1un3 s ALA 98 N 1.49 3.70 0.23 7.40 0.00 -1.26 -0.98 121.76 132.34 1un3 s ALA 98 Ca 0.04 -2.84 0.03 0.00 0.00 0.00 0.00 51.96 49.19 1un3 s ALA 98 Cb -0.13 -3.63 0.03 0.00 0.00 0.00 0.00 23.12 19.38 1un3 s ALA 98 CO -0.10 -2.45 0.22 0.41 0.00 0.00 0.00 175.76 173.84 1un3 n GLY 99 N 4.80 2.65 3.16 0.00 0.00 0.42 -4.97 105.19 111.25 1un3 n GLY 99 Ca 0.08 -2.21 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 1un3 n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1un3 s PHE 100 N -0.95 -0.88 0.14 1.61 5.36 -1.26 -1.90 117.98 120.10 1un3 s PHE 100 Ca 0.16 1.34 -0.25 0.00 -0.96 0.00 0.00 56.93 57.22 1un3 s PHE 100 Cb -0.01 0.25 0.07 0.00 -0.34 0.00 0.00 43.02 42.98 1un3 s PHE 100 CO 0.10 -0.60 0.99 -0.98 -1.46 0.00 0.00 175.22 173.27 1un3 s ARG 101 N 2.62 1.15 0.57 10.12 1.70 -0.59 -4.91 118.95 129.61 1un3 s ARG 101 Ca 0.05 -0.64 -0.18 0.00 -0.47 0.00 0.00 55.73 54.49 1un3 s ARG 101 Cb -0.13 0.39 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 1un3 s ARG 101 CO -0.15 -0.53 1.10 -0.80 -1.08 0.00 0.00 175.30 173.85 1un3 s ASN 102 N -2.96 5.68 0.11 -2.89 -0.87 -1.26 -0.74 114.94 112.00 1un3 s ASN 102 Ca 0.13 2.05 0.09 0.00 -1.57 0.00 0.00 52.86 53.55 1un3 s ASN 102 Cb -0.01 -2.56 -0.04 0.00 -0.02 0.00 0.00 41.25 38.62 1un3 s ASN 102 CO 0.02 -1.24 -0.19 0.68 -2.57 0.00 0.00 177.10 173.80 1un3 s VAL 103 N -2.04 2.78 -0.15 1.60 -7.23 -1.26 -4.91 120.40 109.19 1un3 s VAL 103 Ca 0.69 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.40 1un3 s VAL 103 Cb -0.21 -2.26 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 1un3 s VAL 103 CO 0.31 0.14 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.39 1un3 s VAL 104 N -1.10 2.60 0.22 1.32 1.01 -1.26 -1.42 120.40 121.77 1un3 s VAL 104 Ca 0.17 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1un3 s VAL 104 Cb -0.11 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1un3 s VAL 104 CO 0.09 0.52 -0.02 0.68 0.00 0.00 0.00 175.10 176.36 1un3 s VAL 105 N 0.81 1.10 -0.04 2.92 -7.23 -0.30 -1.49 120.40 116.16 1un3 s VAL 105 Ca -0.05 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 58.06 1un3 s VAL 105 Cb -0.15 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1un3 s VAL 105 CO -0.00 -0.39 0.02 0.00 -0.31 0.00 0.00 175.10 174.41 1un3 s ALA 106 N -3.38 3.35 0.09 1.32 0.00 -0.50 -0.16 121.76 122.49 1un3 s ALA 106 Ca 0.27 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.44 1un3 s ALA 106 Cb 0.05 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 1un3 s ALA 106 CO 0.08 0.63 -0.17 0.00 0.00 0.00 0.00 175.76 176.29 1un3 s GLU 108 N -1.95 0.01 -1.45 0.00 2.12 -0.20 -4.84 118.70 112.39 1un3 s GLU 108 Ca 0.17 0.33 -0.12 0.00 0.36 0.00 0.00 54.97 55.71 1un3 s GLU 108 Cb -0.11 -0.26 0.09 0.00 0.26 0.00 0.00 34.13 34.12 1un3 s GLU 108 CO 0.09 -0.20 0.69 0.09 -0.54 0.00 0.00 175.26 175.39 1un3 n ASN 109 N 4.46 -4.08 0.00 -1.70 3.02 -1.26 -1.98 115.26 113.72 1un3 n ASN 109 Ca -0.22 -0.61 0.00 0.00 -0.03 0.00 0.00 54.58 53.72 1un3 n ASN 109 Cb 0.51 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 1un3 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1un3 n GLY 110 N -1.37 0.71 3.22 7.41 0.00 -1.26 -5.04 105.19 108.86 1un3 n GLY 110 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1un3 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1un3 s LEU 111 N 0.00 2.07 0.15 0.99 1.43 -0.84 -4.78 118.68 117.70 1un3 s LEU 111 Ca 0.00 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.39 1un3 s LEU 111 Cb 0.00 -1.03 -0.08 0.00 0.03 0.00 0.00 46.19 45.10 1un3 s LEU 111 CO 0.00 0.23 1.37 -2.16 0.23 0.00 0.00 176.35 176.02 1un3 s PRO 112 N -0.63 4.34 0.00 1.29 0.04 -1.26 -1.03 135.00 137.75 1un3 s PRO 112 Ca 0.08 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1un3 s PRO 112 Cb -0.08 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1un3 s PRO 112 CO -0.00 -0.38 0.24 1.33 0.04 0.00 0.00 177.00 178.23 1un3 n VAL 113 N 3.47 0.00 -3.66 -0.36 0.24 -0.31 -4.31 118.33 113.40 1un3 n VAL 113 Ca 0.10 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.97 1un3 n VAL 113 Cb 0.42 1.27 -0.08 0.00 -1.47 0.00 0.00 33.84 33.98 1un3 n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1un3 s HIS 114 N -0.16 -0.83 -0.19 6.34 5.65 -1.21 -4.80 115.29 120.09 1un3 s HIS 114 Ca 0.00 1.81 -0.08 0.00 0.25 0.00 0.00 55.06 57.05 1un3 s HIS 114 Cb 0.00 0.40 -0.04 0.00 -1.18 0.00 0.00 32.58 31.75 1un3 s HIS 114 CO 0.00 -0.41 0.07 -1.17 -0.65 0.00 0.00 174.74 172.58 1un3 s LEU 115 N 0.98 3.81 -0.25 8.88 2.96 -1.26 -1.40 118.68 132.40 1un3 s LEU 115 Ca -0.05 0.06 -0.23 0.00 -0.22 0.00 0.00 54.13 53.69 1un3 s LEU 115 Cb -0.05 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1un3 s LEU 115 CO -0.09 0.15 0.75 -0.62 -1.32 0.00 0.00 176.35 175.22 1un3 s ASP 116 N 0.52 6.73 0.00 3.68 2.15 -0.56 -5.01 116.67 124.19 1un3 s ASP 116 Ca 0.04 0.90 0.17 0.00 0.43 0.00 0.00 52.55 54.09 1un3 s ASP 116 Cb -0.13 -2.40 1.03 0.00 -0.30 0.00 0.00 42.92 41.13 1un3 s ASP 116 CO 0.01 -0.46 1.43 0.00 -0.17 0.00 0.00 175.17 175.98