#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1un4 s ASN 3 N nan 2.95 0.24 0.00 4.22 -1.26 -4.80 114.94 nan 1un4 s ASN 3 Ca nan 1.90 -0.06 0.00 -2.14 0.00 0.00 52.86 nan 1un4 s ASN 3 Cb nan -2.46 0.24 0.00 1.28 0.00 0.00 41.25 nan 1un4 s ASN 3 CO nan -3.03 1.87 0.77 -2.04 0.00 0.00 177.10 nan 1un4 h SER 4 N -1.82 1.11 -0.03 3.54 4.64 -2.03 -2.88 113.55 116.09 1un4 h SER 4 Ca -0.47 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 60.66 1un4 h SER 4 Cb 1.27 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1un4 h SER 4 CO 0.47 0.88 -0.27 0.03 -0.87 0.00 0.00 176.83 177.07 1un4 h ARG 5 N 1.25 0.46 -0.42 4.77 3.08 -1.96 -1.68 114.38 119.89 1un4 h ARG 5 Ca 0.32 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1un4 h ARG 5 Cb 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1un4 h ARG 5 CO -0.05 0.69 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.51 1un4 h TYR 6 N 0.40 0.90 -0.44 3.04 3.20 -1.70 -1.98 116.97 120.39 1un4 h TYR 6 Ca 0.06 -0.19 -0.11 0.00 3.14 0.00 0.00 58.73 61.62 1un4 h TYR 6 Cb 0.68 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1un4 h TYR 6 CO 0.02 0.92 -0.17 1.79 -1.64 0.00 0.00 178.16 179.08 1un4 h THR 7 N 0.62 1.27 -0.75 1.81 1.35 -1.34 -2.26 112.91 113.61 1un4 h THR 7 Ca 0.11 -1.29 0.03 0.00 -0.55 0.00 0.00 66.41 64.71 1un4 h THR 7 Cb 0.63 1.11 -0.05 0.00 -1.73 0.00 0.00 68.15 68.11 1un4 h THR 7 CO 0.04 0.44 0.47 -0.74 -0.25 0.00 0.00 175.52 175.48 1un4 h HIS 8 N 0.75 0.88 -0.48 4.73 -0.00 -1.32 -2.02 115.15 117.70 1un4 h HIS 8 Ca 0.11 0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.56 1un4 h HIS 8 Cb 0.70 -0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 27.77 1un4 h HIS 8 CO 0.04 0.50 0.19 0.35 -0.00 0.00 0.00 177.93 179.00 1un4 h PHE 9 N 0.91 0.34 -0.76 5.26 3.57 -1.00 -1.80 116.94 123.45 1un4 h PHE 9 Ca 0.30 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 1un4 h PHE 9 Cb 0.03 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1un4 h PHE 9 CO -0.04 0.13 0.43 -0.07 -2.23 0.00 0.00 178.31 176.53 1un4 h LEU 10 N 0.38 0.94 -0.61 0.59 3.38 -1.23 0.56 115.31 119.31 1un4 h LEU 10 Ca 0.22 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 1un4 h LEU 10 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1un4 h LEU 10 CO -0.21 0.75 0.13 0.74 0.09 0.00 0.00 178.44 179.94 1un4 h THR 11 N 1.04 1.26 0.00 0.22 2.02 -1.03 -1.98 112.91 114.44 1un4 h THR 11 Ca 0.27 -0.95 -0.16 0.00 0.77 0.00 0.00 66.41 66.34 1un4 h THR 11 Cb 0.01 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1un4 h THR 11 CO -0.05 0.35 -0.85 1.56 0.37 0.00 0.00 175.52 176.91 1un4 h GLN 12 N 0.90 0.00 0.00 6.66 4.20 -1.21 -3.42 115.11 122.24 1un4 h GLN 12 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1un4 h GLN 12 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1un4 h GLN 12 CO 0.01 0.68 0.00 0.72 -0.67 0.00 0.00 178.83 179.56 1un4 n HIS 13 N -3.23 0.00 -4.72 2.96 8.25 0.18 -4.75 115.22 113.90 1un4 n HIS 13 Ca -0.01 -0.05 -0.29 0.00 -0.26 0.00 0.00 57.72 57.11 1un4 n HIS 13 Cb 0.84 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.78 1un4 n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1un4 s TYR 14 N -0.09 2.10 -0.22 4.41 5.04 -0.75 -0.20 117.35 127.63 1un4 s TYR 14 Ca 0.00 -0.92 -0.04 0.00 -2.44 0.00 0.00 57.07 53.67 1un4 s TYR 14 Cb 0.00 -1.47 0.08 0.00 0.35 0.00 0.00 41.96 40.93 1un4 s TYR 14 CO 0.00 -0.43 0.13 0.34 -1.34 0.00 0.00 175.55 174.25 1un4 s ASP 15 N 0.71 2.65 0.11 4.32 2.15 -0.59 -4.80 116.67 121.22 1un4 s ASP 15 Ca -0.12 -0.83 -0.24 0.00 0.43 0.00 0.00 52.55 51.80 1un4 s ASP 15 Cb -0.16 -0.18 -0.09 0.00 -0.30 0.00 0.00 42.92 42.20 1un4 s ASP 15 CO 0.03 -0.38 1.69 0.00 -0.17 0.00 0.00 175.17 176.33 1un4 h ALA 16 N 8.40 -0.14 -2.45 3.66 0.00 -1.84 -3.37 119.26 123.52 1un4 h ALA 16 Ca -0.17 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.19 1un4 h ALA 16 Cb 1.09 0.20 -0.38 0.00 0.00 0.00 0.00 17.79 18.71 1un4 h ALA 16 CO 0.35 -0.61 -0.86 -1.59 0.00 0.00 0.00 179.25 176.54 1un4 s LYS 17 N -6.15 0.63 0.62 0.00 -2.85 -1.26 -2.02 119.74 108.71 1un4 s LYS 17 Ca -0.14 -1.44 -0.13 0.00 -1.00 0.00 0.00 55.97 53.26 1un4 s LYS 17 Cb 0.08 -1.24 -0.03 0.00 -2.06 0.00 0.00 37.83 34.58 1un4 s LYS 17 CO 0.66 -1.25 1.04 -1.25 0.10 0.00 0.00 175.35 174.65 1un4 s PRO 18 N 0.90 3.40 0.00 1.78 0.04 -1.26 -5.08 135.00 134.78 1un4 s PRO 18 Ca 0.21 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1un4 s PRO 18 Cb -0.16 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1un4 s PRO 18 CO -0.04 -0.73 0.00 0.94 0.04 0.00 0.00 177.00 177.21 1un4 n GLN 19 N -2.47 0.00 -2.86 4.56 0.00 -1.26 -4.96 117.38 110.39 1un4 n GLN 19 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.00 56.70 1un4 n GLN 19 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.71 1un4 n GLN 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1un4 s GLY 20 N 0.00 2.82 -0.75 1.69 0.00 -1.26 -4.98 107.32 104.84 1un4 s GLY 20 Ca 0.00 0.45 0.03 0.00 0.00 0.00 0.00 44.72 45.19 1un4 s GLY 20 CO 0.00 0.89 1.30 0.54 0.00 0.00 0.00 173.10 175.83 1un4 n ARG 21 N 0.83 4.05 -2.65 2.90 1.74 -1.26 -4.70 116.66 117.57 1un4 n ARG 21 Ca -0.00 -4.76 -0.16 0.00 -0.77 0.00 0.00 57.85 52.16 1un4 n ARG 21 Cb 0.50 -2.32 0.05 0.00 -1.02 0.00 0.00 32.46 29.66 1un4 n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1un4 n ASP 22 N -0.19 1.75 -0.18 0.55 5.75 -1.26 -4.68 116.55 118.28 1un4 n ASP 22 Ca 0.38 -2.26 -0.01 0.00 -0.01 0.00 0.00 54.79 52.89 1un4 n ASP 22 Cb 0.35 -0.32 0.08 0.00 -1.03 0.00 0.00 41.12 40.21 1un4 n ASP 22 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1un4 h ASP 23 N 0.11 0.04 -0.23 -1.12 3.32 -1.88 -1.66 116.42 115.01 1un4 h ASP 23 Ca -0.22 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1un4 h ASP 23 Cb 1.00 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1un4 h ASP 23 CO 0.32 0.04 0.15 0.03 -1.72 0.00 0.00 179.24 178.06 1un4 h ARG 24 N 0.27 0.31 -0.13 3.56 3.08 -1.96 -1.46 114.38 118.05 1un4 h ARG 24 Ca 0.28 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 1un4 h ARG 24 Cb 0.38 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1un4 h ARG 24 CO -0.34 0.21 0.07 -0.92 -1.07 0.00 0.00 179.97 177.93 1un4 h TYR 25 N 0.32 0.18 0.16 3.04 3.20 -1.59 -2.17 116.97 120.11 1un4 h TYR 25 Ca 0.09 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1un4 h TYR 25 Cb -0.02 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1un4 h TYR 25 CO 0.00 0.19 -0.21 0.00 -1.64 0.00 0.00 178.16 176.50 1un4 h GLU 27 N -0.42 0.85 0.18 0.00 5.08 -1.21 -1.82 114.58 117.24 1un4 h GLU 27 Ca 0.01 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 1un4 h GLU 27 Cb 0.42 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.50 1un4 h GLU 27 CO -0.08 0.56 -1.12 1.03 -1.00 0.00 0.00 179.01 178.40 1un4 h SER 28 N 0.88 0.59 0.21 1.42 0.87 -1.12 -3.17 113.55 113.23 1un4 h SER 28 Ca 0.49 -0.93 -0.10 0.00 -1.23 0.00 0.00 61.79 60.01 1un4 h SER 28 Cb 0.60 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1un4 h SER 28 CO -0.26 1.53 -0.40 -0.29 -0.53 0.00 0.00 176.83 176.89 1un4 h ILE 29 N -0.18 1.30 -0.63 2.23 2.10 -0.93 -1.53 117.51 119.87 1un4 h ILE 29 Ca -0.20 -1.48 -0.01 0.00 1.08 0.00 0.00 64.86 64.24 1un4 h ILE 29 Cb 1.84 1.66 -0.03 0.00 -1.09 0.00 0.00 36.82 39.20 1un4 h ILE 29 CO 0.18 0.44 0.35 0.24 -1.08 0.00 0.00 178.15 178.29 1un4 h MET 30 N 0.21 0.88 0.05 2.19 2.86 -1.44 -0.18 114.93 119.50 1un4 h MET 30 Ca 0.02 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1un4 h MET 30 Cb 0.80 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.28 1un4 h MET 30 CO 0.06 0.66 -0.03 0.00 1.06 0.00 0.00 176.91 178.67 1un4 h ARG 31 N 0.86 -0.07 -0.72 1.72 3.08 -1.50 -1.14 114.38 116.61 1un4 h ARG 31 Ca 0.22 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.40 1un4 h ARG 31 Cb 0.03 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 30.01 1un4 h ARG 31 CO -0.04 0.16 0.31 -0.09 -1.07 0.00 0.00 179.97 179.24 1un4 h ARG 32 N -0.29 0.47 -0.11 0.04 2.43 -1.13 -2.15 114.38 113.63 1un4 h ARG 32 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1un4 h ARG 32 Cb 0.26 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1un4 h ARG 32 CO 0.01 0.31 0.00 0.54 -1.51 0.00 0.00 179.97 179.32 1un4 n ARG 33 N -4.96 1.52 -2.53 0.20 5.12 -0.09 -4.93 116.66 110.98 1un4 n ARG 33 Ca 0.13 -0.78 -0.04 0.00 -1.93 0.00 0.00 57.85 55.22 1un4 n ARG 33 Cb 0.36 -1.37 0.01 0.00 -1.16 0.00 0.00 32.46 30.30 1un4 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1un4 n GLY 34 N 1.04 0.56 0.96 -0.13 0.00 -0.81 -4.92 105.19 101.90 1un4 n GLY 34 Ca 0.16 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 1un4 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1un4 n LEU 35 N -1.11 3.67 -0.09 0.99 4.32 -0.44 -4.69 117.00 119.66 1un4 n LEU 35 Ca -0.01 -3.76 0.03 0.00 -0.02 0.00 0.00 56.01 52.25 1un4 n LEU 35 Cb 0.52 -0.60 0.05 0.00 -1.62 0.00 0.00 43.42 41.77 1un4 n LEU 35 CO 0.10 1.26 0.45 0.35 -1.22 0.00 0.00 177.39 178.33 1un4 n THR 36 N -1.11 1.01 -3.50 -5.08 -2.24 -1.26 -3.02 114.28 99.09 1un4 n THR 36 Ca 0.28 -1.14 -0.29 0.00 -2.27 0.00 0.00 64.05 60.64 1un4 n THR 36 Cb 0.92 0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 69.35 1un4 n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1un4 s SER 37 N -1.46 3.21 0.62 3.42 1.04 -1.26 -3.48 113.70 115.78 1un4 s SER 37 Ca 0.10 -1.81 -0.07 0.00 0.48 0.00 0.00 55.95 54.65 1un4 s SER 37 Cb 0.09 -0.38 0.01 0.00 0.10 0.00 0.00 66.02 65.84 1un4 s SER 37 CO 0.01 -0.36 0.95 -2.16 0.98 0.00 0.00 173.24 172.65 1un4 s PRO 38 N 1.50 2.89 0.01 4.02 0.04 -1.26 -5.09 135.00 137.11 1un4 s PRO 38 Ca 0.14 0.10 -0.33 0.00 0.04 0.00 0.00 61.00 60.95 1un4 s PRO 38 Cb -0.20 -2.21 -0.12 0.00 0.04 0.00 0.00 34.50 32.01 1un4 s PRO 38 CO -0.15 -0.79 1.83 0.00 0.04 0.00 0.00 177.00 177.93 1un4 s LYS 40 N 3.30 4.28 0.27 0.00 2.47 -1.17 -4.90 119.74 124.01 1un4 s LYS 40 Ca 0.88 2.27 -0.04 0.00 -1.56 0.00 0.00 55.97 57.53 1un4 s LYS 40 Cb -0.62 -3.11 0.36 0.00 -1.46 0.00 0.00 37.83 32.99 1un4 s LYS 40 CO 0.45 -0.39 1.92 0.22 0.16 0.00 0.00 175.35 177.71 1un4 h ASP 41 N 4.96 0.99 -3.92 1.43 3.58 -1.93 -3.40 116.42 118.13 1un4 h ASP 41 Ca -0.46 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 56.81 1un4 h ASP 41 Cb 1.22 -0.25 -0.24 0.00 1.72 0.00 0.00 39.33 41.78 1un4 h ASP 41 CO 0.77 0.77 -0.20 -0.51 -2.88 0.00 0.00 179.24 177.19 1un4 s ILE 42 N -5.82 0.00 -0.09 2.25 2.07 -1.26 -1.16 121.20 117.19 1un4 s ILE 42 Ca -0.12 -0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.07 1un4 s ILE 42 Cb 0.17 -0.61 0.04 0.00 0.13 0.00 0.00 42.46 42.19 1un4 s ILE 42 CO 0.81 -0.00 0.21 0.21 -1.91 0.00 0.00 174.94 174.25 1un4 s ASN 43 N 0.19 -0.20 -0.12 4.50 2.47 -0.48 -5.00 114.94 116.29 1un4 s ASN 43 Ca -0.00 0.43 -0.02 0.00 0.42 0.00 0.00 52.86 53.69 1un4 s ASN 43 Cb -0.03 0.33 -0.03 0.00 -1.45 0.00 0.00 41.25 40.07 1un4 s ASN 43 CO 0.01 -0.15 -0.04 -0.89 -3.72 0.00 0.00 177.10 172.30 1un4 s THR 44 N 1.17 3.89 -0.09 -5.21 2.01 -1.26 -1.19 115.64 114.96 1un4 s THR 44 Ca -0.09 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 1un4 s THR 44 Cb -0.10 -2.66 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1un4 s THR 44 CO -0.07 0.54 0.00 -0.36 -0.69 0.00 0.00 174.62 174.04 1un4 s PHE 45 N -0.19 3.16 -0.11 4.92 0.08 -0.36 -4.52 117.98 120.95 1un4 s PHE 45 Ca 0.03 0.18 -0.05 0.00 0.12 0.00 0.00 56.93 57.21 1un4 s PHE 45 Cb -0.13 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1un4 s PHE 45 CO 0.02 0.45 0.08 0.42 -0.10 0.00 0.00 175.22 176.10 1un4 s ILE 46 N -0.83 5.01 0.32 0.64 1.01 0.72 -1.46 121.20 126.62 1un4 s ILE 46 Ca 0.13 0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.89 1un4 s ILE 46 Cb -0.11 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1un4 s ILE 46 CO 0.02 0.61 -0.00 -1.00 0.00 0.00 0.00 174.94 174.57 1un4 s HIS 47 N -0.95 2.57 0.00 3.97 3.76 -0.20 -1.54 115.29 122.90 1un4 s HIS 47 Ca 0.14 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1un4 s HIS 47 Cb -0.12 -1.39 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1un4 s HIS 47 CO 0.03 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.85 1un4 n GLY 48 N -0.93 0.44 3.65 -2.22 0.00 -0.86 -4.43 105.19 100.84 1un4 n GLY 48 Ca -0.05 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1un4 n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1un4 s ASN 49 N -4.00 6.67 0.39 1.61 3.84 -1.26 -4.70 114.94 117.49 1un4 s ASN 49 Ca 0.00 0.82 0.07 0.00 0.21 0.00 0.00 52.86 53.96 1un4 s ASN 49 Cb 0.00 -2.36 0.82 0.00 -0.55 0.00 0.00 41.25 39.16 1un4 s ASN 49 CO 0.00 -0.34 1.99 0.50 -2.79 0.00 0.00 177.10 176.47 1un4 h LYS 50 N 7.65 0.63 -0.14 0.43 3.64 -1.98 -2.84 116.57 123.96 1un4 h LYS 50 Ca -0.29 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 58.96 1un4 h LYS 50 Cb 1.13 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1un4 h LYS 50 CO 0.78 0.42 -0.35 0.00 -2.27 0.00 0.00 179.45 178.03 1un4 h ARG 51 N 0.65 0.28 -0.49 1.90 3.08 -2.00 -2.77 114.38 115.03 1un4 h ARG 51 Ca 0.26 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 1un4 h ARG 51 Cb 0.20 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1un4 h ARG 51 CO -0.08 0.60 -0.02 0.77 -1.07 0.00 0.00 179.97 180.18 1un4 h SER 52 N 0.24 0.79 0.10 7.04 0.02 -1.93 -2.37 113.55 117.45 1un4 h SER 52 Ca 0.03 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 1un4 h SER 52 Cb 0.73 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1un4 h SER 52 CO 0.06 0.87 -0.05 0.40 -1.14 0.00 0.00 176.83 176.96 1un4 h ILE 53 N 0.76 0.99 -0.82 3.27 2.04 -1.50 -3.01 117.51 119.24 1un4 h ILE 53 Ca 0.14 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.73 1un4 h ILE 53 Cb 0.48 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1un4 h ILE 53 CO 0.02 0.09 0.54 0.11 0.00 0.00 0.00 178.15 178.91 1un4 h LYS 54 N -0.30 0.81 0.00 2.37 1.57 -1.50 -2.56 116.57 116.97 1un4 h LYS 54 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1un4 h LYS 54 Cb 0.25 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1un4 h LYS 54 CO 0.02 0.54 0.00 0.00 -0.57 0.00 0.00 179.45 179.44 1un4 h ALA 55 N 1.57 1.00 0.00 3.86 0.00 -1.29 -2.14 119.26 122.26 1un4 h ALA 55 Ca 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1un4 h ALA 55 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1un4 h ALA 55 CO -0.14 0.00 -0.05 0.82 0.00 0.00 0.00 179.25 179.88 1un4 h ILE 56 N 0.00 0.46 0.00 0.00 2.04 -1.45 -2.18 117.51 116.38 1un4 h ILE 56 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1un4 h ILE 56 Cb 0.17 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1un4 h ILE 56 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.20 1un4 s GLU 58 N -3.00 2.11 0.54 0.00 2.02 -0.86 -4.94 118.70 114.57 1un4 s GLU 58 Ca 0.13 -2.05 0.36 0.00 0.02 0.00 0.00 54.97 53.43 1un4 s GLU 58 Cb 0.18 -1.78 1.76 0.00 0.10 0.00 0.00 34.13 34.39 1un4 s GLU 58 CO 0.51 -0.15 2.08 -2.95 0.02 0.00 0.00 175.26 174.77 1un4 h ASN 59 N 1.52 0.00 -0.42 -0.19 -1.07 -1.81 -2.68 115.58 110.93 1un4 h ASN 59 Ca -0.43 0.00 0.08 0.00 0.07 0.00 0.00 56.30 56.01 1un4 h ASN 59 Cb 1.26 0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 37.44 1un4 h ASN 59 CO 0.75 0.00 0.01 0.07 0.07 0.00 0.00 177.43 178.32 1un4 h LYS 60 N 0.00 0.11 0.00 4.14 5.09 -1.95 -3.34 116.57 120.62 1un4 h LYS 60 Ca 0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 60.65 60.65 1un4 h LYS 60 Cb 0.22 -0.03 -0.18 0.00 0.10 0.00 0.00 32.23 32.35 1un4 h LYS 60 CO 0.00 0.08 -0.69 -1.71 -2.09 0.00 0.00 179.45 175.04 1un4 n ASN 61 N -5.19 1.07 -3.64 7.07 5.15 -0.99 -4.96 115.26 113.78 1un4 n ASN 61 Ca 0.03 -2.53 -0.12 0.00 -0.60 0.00 0.00 54.58 51.36 1un4 n ASN 61 Cb 0.22 -0.34 -0.05 0.00 -0.53 0.00 0.00 39.78 39.07 1un4 n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1un4 s GLY 62 N -2.13 -0.29 0.21 8.20 0.00 -1.02 -1.52 107.32 110.77 1un4 s GLY 62 Ca 0.27 0.19 0.11 0.00 0.00 0.00 0.00 44.72 45.29 1un4 s GLY 62 CO -0.09 -0.07 -0.20 -1.31 0.00 0.00 0.00 173.10 171.42 1un4 s ASN 63 N -2.34 3.61 0.50 1.64 0.02 -0.34 -4.50 114.94 113.53 1un4 s ASN 63 Ca -0.02 -0.86 -0.23 0.00 -1.02 0.00 0.00 52.86 50.73 1un4 s ASN 63 Cb 0.00 -0.34 -0.06 0.00 0.02 0.00 0.00 41.25 40.87 1un4 s ASN 63 CO -0.06 0.10 1.31 -2.84 0.02 0.00 0.00 177.10 175.63 1un4 s PRO 64 N -2.91 3.43 -0.06 -0.60 0.02 -1.26 -1.39 135.00 132.23 1un4 s PRO 64 Ca 0.24 2.14 -0.02 0.00 0.02 0.00 0.00 61.00 63.37 1un4 s PRO 64 Cb -0.07 -2.38 0.04 0.00 0.02 0.00 0.00 34.50 32.10 1un4 s PRO 64 CO 0.12 -0.93 0.13 -1.58 -0.33 0.00 0.00 177.00 174.41 1un4 s HIS 65 N -1.35 -0.14 0.00 6.54 2.46 0.26 -4.73 115.29 118.34 1un4 s HIS 65 Ca 0.67 0.45 0.00 0.00 0.47 0.00 0.00 55.06 56.65 1un4 s HIS 65 Cb -0.38 -0.13 0.00 0.00 -0.13 0.00 0.00 32.58 31.94 1un4 s HIS 65 CO 0.46 -0.17 0.00 0.54 -2.47 0.00 0.00 174.74 173.10 1un4 n ARG 66 N 4.36 0.00 -0.07 2.88 3.00 -1.26 -1.80 116.66 123.76 1un4 n ARG 66 Ca -0.24 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.47 1un4 n ARG 66 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.86 1un4 n ARG 66 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1un4 h GLU 67 N 0.00 0.00 0.00 5.56 3.07 -2.04 -3.42 114.58 117.75 1un4 h GLU 67 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1un4 h GLU 67 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1un4 h GLU 67 CO 0.00 0.88 -0.53 0.27 -1.40 0.00 0.00 179.01 178.22 1un4 n ASN 68 N -4.61 0.10 -4.72 1.42 0.23 -1.25 -5.12 115.26 101.32 1un4 n ASN 68 Ca -0.11 -1.95 -0.24 0.00 -0.53 0.00 0.00 54.58 51.74 1un4 n ASN 68 Cb 0.45 -0.20 -0.07 0.00 -2.08 0.00 0.00 39.78 37.88 1un4 n ASN 68 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1un4 s LEU 69 N 0.00 3.12 0.08 -4.53 1.02 -0.75 -4.69 118.68 112.93 1un4 s LEU 69 Ca 0.04 -1.02 0.07 0.00 0.02 0.00 0.00 54.13 53.25 1un4 s LEU 69 Cb 0.04 -1.47 -0.03 0.00 0.02 0.00 0.00 46.19 44.76 1un4 s LEU 69 CO -0.02 -0.45 -0.19 -0.13 0.02 0.00 0.00 176.35 175.58 1un4 s ARG 70 N -3.86 1.14 -0.05 1.70 1.81 0.27 -0.57 118.95 119.39 1un4 s ARG 70 Ca 0.39 -1.04 0.06 0.00 -1.72 0.00 0.00 55.73 53.42 1un4 s ARG 70 Cb 0.02 -1.32 -0.01 0.00 -0.45 0.00 0.00 34.95 33.19 1un4 s ARG 70 CO 0.22 0.32 -0.24 -1.50 -0.68 0.00 0.00 175.30 173.42 1un4 s ILE 71 N -1.05 2.18 0.49 1.52 2.07 -0.48 -1.18 121.20 124.76 1un4 s ILE 71 Ca 0.05 -1.03 -0.20 0.00 -1.41 0.00 0.00 60.65 58.06 1un4 s ILE 71 Cb -0.09 -1.79 -0.08 0.00 0.13 0.00 0.00 42.46 40.62 1un4 s ILE 71 CO 0.03 0.57 1.06 -0.94 -1.91 0.00 0.00 174.94 173.75 1un4 s SER 72 N -0.27 6.25 -0.00 4.50 1.04 -0.46 -1.19 113.70 123.57 1un4 s SER 72 Ca -0.00 1.99 -0.15 0.00 0.48 0.00 0.00 55.95 58.26 1un4 s SER 72 Cb -0.13 -2.57 -0.34 0.00 0.10 0.00 0.00 66.02 63.09 1un4 s SER 72 CO 0.03 -0.85 0.89 0.11 0.98 0.00 0.00 173.24 174.40 1un4 h LYS 73 N 1.56 0.48 -6.89 4.02 1.57 -1.62 -3.43 116.57 112.26 1un4 h LYS 73 Ca -0.50 -0.82 -0.50 0.00 -1.87 0.00 0.00 60.65 56.96 1un4 h LYS 73 Cb 1.23 0.31 0.02 0.00 0.08 0.00 0.00 32.23 33.86 1un4 h LYS 73 CO 0.59 1.39 0.12 -1.54 -0.57 0.00 0.00 179.45 179.44 1un4 s SER 74 N -7.46 6.42 0.26 0.86 1.04 -1.26 -4.96 113.70 108.60 1un4 s SER 74 Ca -0.12 1.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 1un4 s SER 74 Cb 0.04 -2.30 -0.08 0.00 0.10 0.00 0.00 66.02 63.78 1un4 s SER 74 CO 0.91 -0.47 0.61 -0.44 0.98 0.00 0.00 173.24 174.83 1un4 s SER 75 N -3.51 6.68 0.08 7.02 0.01 -1.26 -4.28 113.70 118.43 1un4 s SER 75 Ca 0.50 1.04 0.08 0.00 1.31 0.00 0.00 55.95 58.88 1un4 s SER 75 Cb -0.10 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 1un4 s SER 75 CO 0.37 -0.11 -0.21 -0.36 0.41 0.00 0.00 173.24 173.34 1un4 s PHE 76 N -1.86 1.82 0.12 2.43 0.40 -0.29 -4.87 117.98 115.73 1un4 s PHE 76 Ca 0.49 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 56.11 1un4 s PHE 76 Cb -0.11 -1.03 -0.09 0.00 0.51 0.00 0.00 43.02 42.30 1un4 s PHE 76 CO 0.20 0.16 1.51 -0.65 0.70 0.00 0.00 175.22 177.14 1un4 s GLN 77 N -1.60 4.25 0.08 0.44 -1.52 -1.26 -2.29 119.66 117.76 1un4 s GLN 77 Ca 0.07 2.23 0.01 0.00 -1.95 0.00 0.00 55.36 55.72 1un4 s GLN 77 Cb -0.09 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 29.36 1un4 s GLN 77 CO 0.03 -0.57 -0.06 0.14 -0.25 0.00 0.00 175.29 174.58 1un4 s VAL 78 N 1.50 0.55 -0.08 1.09 -7.23 -0.68 -1.03 120.40 114.52 1un4 s VAL 78 Ca 0.68 -1.74 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1un4 s VAL 78 Cb -0.40 -1.44 0.02 0.00 0.56 0.00 0.00 36.38 35.13 1un4 s VAL 78 CO 0.31 -0.81 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.35 1un4 s THR 79 N -3.27 0.69 -0.15 5.32 2.01 -0.53 -0.75 115.64 118.96 1un4 s THR 79 Ca 0.07 -0.11 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1un4 s THR 79 Cb 0.03 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1un4 s THR 79 CO -0.05 0.30 0.28 0.00 -0.69 0.00 0.00 174.62 174.46 1un4 s ALA 80 N 1.62 3.61 -0.30 7.40 0.00 -0.16 -1.22 121.76 132.72 1un4 s ALA 80 Ca 0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1un4 s ALA 80 Cb -0.13 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.65 1un4 s ALA 80 CO -0.05 0.14 0.07 0.00 0.00 0.00 0.00 175.76 175.92 1un4 s LYS 82 N 1.47 3.38 0.06 0.00 1.02 -0.71 -1.39 119.74 123.58 1un4 s LYS 82 Ca 0.02 -0.60 -0.31 0.00 0.02 0.00 0.00 55.97 55.11 1un4 s LYS 82 Cb -0.18 -2.73 -0.08 0.00 -0.52 0.00 0.00 37.83 34.32 1un4 s LYS 82 CO 0.02 0.31 1.69 -1.17 -0.92 0.00 0.00 175.35 175.28 1un4 s LEU 83 N 0.14 4.37 -0.19 3.17 2.96 -0.31 -1.09 118.68 127.74 1un4 s LEU 83 Ca -0.04 2.51 -0.09 0.00 -0.22 0.00 0.00 54.13 56.29 1un4 s LEU 83 Cb -0.14 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1un4 s LEU 83 CO 0.04 -0.91 0.11 -2.28 -1.32 0.00 0.00 176.35 171.98 1un4 s HIS 84 N 2.87 3.38 0.00 5.38 5.65 0.31 -4.93 115.29 127.94 1un4 s HIS 84 Ca 0.75 0.27 0.00 0.00 0.25 0.00 0.00 55.06 56.34 1un4 s HIS 84 Cb -0.40 -2.12 0.00 0.00 -1.18 0.00 0.00 32.58 28.88 1un4 s HIS 84 CO 0.33 0.29 0.00 0.41 -0.65 0.00 0.00 174.74 175.12 1un4 n GLY 85 N 3.39 0.83 0.08 1.59 0.00 -1.26 -4.41 105.19 105.41 1un4 n GLY 85 Ca -0.16 -1.96 -0.10 0.00 0.00 0.00 0.00 46.02 43.79 1un4 n GLY 85 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1un4 h GLY 86 N 0.00 0.10 -4.40 -0.02 0.00 -2.01 -3.46 103.07 93.28 1un4 h GLY 86 Ca 0.00 -0.27 -0.54 0.00 0.00 0.00 0.00 47.33 46.53 1un4 h GLY 86 CO 0.00 0.23 0.18 -0.45 0.00 0.00 0.00 176.54 176.50 1un4 s SER 87 N -6.84 7.28 0.00 0.19 0.15 -1.26 -4.96 113.70 108.26 1un4 s SER 87 Ca -0.01 1.52 0.11 0.00 0.70 0.00 0.00 55.95 58.27 1un4 s SER 87 Cb 0.09 -2.48 0.35 0.00 -1.71 0.00 0.00 66.02 62.27 1un4 s SER 87 CO 0.84 0.07 1.27 -0.81 1.20 0.00 0.00 173.24 175.82 1un4 n PRO 88 N 2.43 1.63 -4.72 5.44 -0.04 -1.26 -4.91 135.00 133.57 1un4 n PRO 88 Ca -0.03 -0.97 -0.31 0.00 -0.04 0.00 0.00 63.50 62.15 1un4 n PRO 88 Cb 0.50 -1.24 -0.13 0.00 -0.04 0.00 0.00 33.50 32.59 1un4 n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1un4 s TRP 89 N -1.67 2.57 0.64 0.54 0.52 -1.26 -0.35 118.94 119.93 1un4 s TRP 89 Ca 0.21 -0.25 -0.18 0.00 0.02 0.00 0.00 56.10 55.91 1un4 s TRP 89 Cb 0.11 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.90 1un4 s TRP 89 CO 0.15 0.23 0.90 -2.30 0.02 0.00 0.00 176.95 175.95 1un4 n PRO 90 N 1.69 0.73 -2.51 4.98 -0.02 -1.26 -4.47 135.00 134.14 1un4 n PRO 90 Ca -0.16 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.20 1un4 n PRO 90 Cb 0.52 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.84 1un4 n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1un4 s PRO 91 N -2.84 4.58 -0.40 0.52 0.04 -1.26 -5.15 135.00 130.50 1un4 s PRO 91 Ca 0.75 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 63.30 1un4 s PRO 91 Cb -0.40 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 30.87 1un4 s PRO 91 CO 0.48 0.06 0.62 0.00 0.04 0.00 0.00 177.00 178.20 1un4 s GLN 93 N 2.73 4.35 0.10 0.00 -0.21 -1.26 -4.88 119.66 120.48 1un4 s GLN 93 Ca 0.23 0.53 0.09 0.00 0.02 0.00 0.00 55.36 56.24 1un4 s GLN 93 Cb -0.14 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 1un4 s GLN 93 CO 0.17 0.16 -0.24 0.71 -2.12 0.00 0.00 175.29 173.96 1un4 s TYR 94 N 0.60 2.07 -0.10 0.91 2.02 -1.26 -0.53 117.35 121.06 1un4 s TYR 94 Ca 0.28 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 1un4 s TYR 94 Cb -0.16 -1.15 -0.02 0.00 -0.40 0.00 0.00 41.96 40.24 1un4 s TYR 94 CO 0.12 0.24 -0.15 1.03 -1.57 0.00 0.00 175.55 175.23 1un4 s ARG 95 N -1.83 3.10 -0.05 -0.62 1.81 -0.25 -4.75 118.95 116.36 1un4 s ARG 95 Ca 0.10 -0.71 -0.11 0.00 -1.72 0.00 0.00 55.73 53.30 1un4 s ARG 95 Cb -0.10 -2.52 -0.05 0.00 -0.45 0.00 0.00 34.95 31.83 1un4 s ARG 95 CO 0.05 0.33 0.27 0.00 -0.68 0.00 0.00 175.30 175.27 1un4 s ALA 96 N 0.05 3.79 -0.18 2.13 0.00 -1.26 -1.73 121.76 124.56 1un4 s ALA 96 Ca -0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1un4 s ALA 96 Cb -0.15 -2.17 0.05 0.00 0.00 0.00 0.00 23.12 20.85 1un4 s ALA 96 CO 0.04 0.56 -0.03 0.99 0.00 0.00 0.00 175.76 177.33 1un4 s THR 97 N -1.08 0.99 0.20 0.00 2.01 -0.03 -4.83 115.64 112.92 1un4 s THR 97 Ca 0.20 -0.68 -0.21 0.00 0.31 0.00 0.00 61.69 61.31 1un4 s THR 97 Cb -0.14 -1.28 -0.08 0.00 0.01 0.00 0.00 72.50 71.01 1un4 s THR 97 CO 0.09 0.00 0.73 0.00 -0.69 0.00 0.00 174.62 174.75 1un4 s ALA 98 N 1.67 3.43 0.31 7.40 0.00 -1.26 -0.99 121.76 132.31 1un4 s ALA 98 Ca -0.01 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1un4 s ALA 98 Cb -0.16 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 1un4 s ALA 98 CO -0.07 0.32 0.40 0.20 0.00 0.00 0.00 175.76 176.60 1un4 s GLY 99 N -1.49 1.47 -0.27 0.00 0.00 0.07 -4.98 107.32 102.13 1un4 s GLY 99 Ca 0.40 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 1un4 s GLY 99 CO 0.22 -1.08 0.33 -0.12 0.00 0.00 0.00 173.10 172.46 1un4 s PHE 100 N -3.42 -0.66 0.27 1.90 5.36 -1.26 -1.68 117.98 118.50 1un4 s PHE 100 Ca 0.32 0.18 -0.20 0.00 -0.96 0.00 0.00 56.93 56.26 1un4 s PHE 100 Cb 0.01 -0.29 0.05 0.00 -0.34 0.00 0.00 43.02 42.46 1un4 s PHE 100 CO 0.19 -0.87 0.85 -0.98 -1.46 0.00 0.00 175.22 172.94 1un4 s ARG 101 N 2.44 1.73 0.77 10.12 1.70 -0.97 -4.88 118.95 129.87 1un4 s ARG 101 Ca 0.10 -1.05 -0.11 0.00 -0.47 0.00 0.00 55.73 54.21 1un4 s ARG 101 Cb -0.14 0.53 0.06 0.00 -0.57 0.00 0.00 34.95 34.83 1un4 s ARG 101 CO -0.27 -0.80 1.09 0.54 -1.08 0.00 0.00 175.30 174.77 1un4 s ASN 102 N -3.06 4.53 0.22 -2.89 4.22 -1.26 -1.14 114.94 115.56 1un4 s ASN 102 Ca 0.15 1.80 0.10 0.00 -2.14 0.00 0.00 52.86 52.77 1un4 s ASN 102 Cb -0.04 -2.51 -0.05 0.00 1.28 0.00 0.00 41.25 39.93 1un4 s ASN 102 CO 0.07 -2.01 -0.20 0.68 -2.04 0.00 0.00 177.10 173.60 1un4 s VAL 103 N -2.92 2.18 -0.17 3.54 -7.23 -1.26 -4.91 120.40 109.64 1un4 s VAL 103 Ca 0.61 -2.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.60 1un4 s VAL 103 Cb -0.17 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.65 1un4 s VAL 103 CO 0.56 -0.32 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.27 1un4 s VAL 104 N -2.21 3.47 0.25 1.32 1.01 -1.26 -1.35 120.40 121.64 1un4 s VAL 104 Ca 0.23 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1un4 s VAL 104 Cb -0.05 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1un4 s VAL 104 CO 0.10 0.48 -0.04 0.68 0.00 0.00 0.00 175.10 176.32 1un4 s VAL 105 N 0.74 1.37 -0.10 2.92 -7.23 -0.32 -1.59 120.40 116.20 1un4 s VAL 105 Ca -0.03 -2.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.02 1un4 s VAL 105 Cb -0.15 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1un4 s VAL 105 CO 0.02 -0.33 0.06 0.00 -0.31 0.00 0.00 175.10 174.54 1un4 s ALA 106 N -3.19 3.53 0.06 1.32 0.00 -0.19 -0.57 121.76 122.72 1un4 s ALA 106 Ca 0.28 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.56 1un4 s ALA 106 Cb 0.04 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 1un4 s ALA 106 CO 0.10 0.61 -0.14 0.00 0.00 0.00 0.00 175.76 176.33 1un4 s GLU 108 N -1.70 0.02 -1.65 0.00 2.12 0.23 -4.87 118.70 112.85 1un4 s GLU 108 Ca 0.17 0.36 -0.15 0.00 0.36 0.00 0.00 54.97 55.71 1un4 s GLU 108 Cb -0.11 -0.27 0.13 0.00 0.26 0.00 0.00 34.13 34.15 1un4 s GLU 108 CO 0.08 -0.22 0.71 0.09 -0.54 0.00 0.00 175.26 175.39 1un4 n ASN 109 N 4.58 -2.75 0.00 -1.70 3.02 -1.26 -1.75 115.26 115.41 1un4 n ASN 109 Ca -0.19 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 1un4 n ASN 109 Cb 0.51 -2.80 0.00 0.00 -0.61 0.00 0.00 39.78 36.88 1un4 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1un4 n GLY 110 N -1.53 0.91 3.22 7.41 0.00 -1.26 -5.04 105.19 108.90 1un4 n GLY 110 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1un4 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1un4 s LEU 111 N 0.00 2.11 0.15 0.99 1.43 -0.72 -4.80 118.68 117.84 1un4 s LEU 111 Ca 0.00 -0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 1un4 s LEU 111 Cb 0.00 -0.96 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 1un4 s LEU 111 CO 0.00 0.18 1.44 -2.16 0.23 0.00 0.00 176.35 176.04 1un4 s PRO 112 N -0.87 4.29 0.00 1.29 0.04 -1.26 -0.60 135.00 137.89 1un4 s PRO 112 Ca 0.07 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1un4 s PRO 112 Cb -0.08 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1un4 s PRO 112 CO 0.01 -0.47 0.16 1.33 0.04 0.00 0.00 177.00 178.07 1un4 n VAL 113 N 3.70 0.00 -3.66 -0.36 0.24 -0.39 -4.31 118.33 113.55 1un4 n VAL 113 Ca 0.11 -0.30 -0.11 0.00 -2.04 0.00 0.00 64.34 62.00 1un4 n VAL 113 Cb 0.41 1.21 -0.08 0.00 -1.47 0.00 0.00 33.84 33.91 1un4 n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1un4 s HIS 114 N -0.28 -0.80 -0.20 6.34 5.65 -1.21 -4.77 115.29 120.02 1un4 s HIS 114 Ca 0.00 1.78 -0.06 0.00 0.25 0.00 0.00 55.06 57.02 1un4 s HIS 114 Cb 0.00 0.37 -0.03 0.00 -1.18 0.00 0.00 32.58 31.74 1un4 s HIS 114 CO 0.00 -0.40 0.04 -1.17 -0.65 0.00 0.00 174.74 172.56 1un4 s LEU 115 N 0.89 3.53 -0.46 8.88 2.96 -1.26 -1.02 118.68 132.20 1un4 s LEU 115 Ca -0.04 -0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 53.50 1un4 s LEU 115 Cb -0.05 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.76 1un4 s LEU 115 CO -0.08 0.09 1.07 -0.62 -1.32 0.00 0.00 176.35 175.50 1un4 s ASP 116 N 0.87 6.63 0.00 3.68 2.15 -0.62 -4.91 116.67 124.47 1un4 s ASP 116 Ca 0.03 0.44 0.23 0.00 0.43 0.00 0.00 52.55 53.67 1un4 s ASP 116 Cb -0.14 -2.52 0.63 0.00 -0.30 0.00 0.00 42.92 40.59 1un4 s ASP 116 CO 0.02 -1.16 1.50 0.00 -0.17 0.00 0.00 175.17 175.36 1un4 n GLN 117 N 7.56 2.01 0.26 4.34 6.02 -1.26 -4.24 117.38 132.06 1un4 n GLN 117 Ca 0.10 -1.51 0.12 0.00 -0.01 0.00 0.00 57.00 55.70 1un4 n GLN 117 Cb 0.49 -1.45 0.73 0.00 1.02 0.00 0.00 30.24 31.03 1un4 n GLN 117 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1un4 h SER 118 N 3.14 0.00 0.87 1.08 4.64 -1.97 -2.12 113.55 119.18 1un4 h SER 118 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1un4 h SER 118 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1un4 h SER 118 CO 0.00 0.10 0.00 2.30 -0.87 0.00 0.00 176.83 178.36 1un4 n ILE 119 N -3.84 0.39 0.65 0.95 -5.35 -1.26 -3.05 119.36 107.85 1un4 n ILE 119 Ca -0.02 0.07 0.09 0.00 -0.27 0.00 0.00 62.75 62.61 1un4 n ILE 119 Cb 0.20 -0.69 0.08 0.00 -1.74 0.00 0.00 39.64 37.49 1un4 n ILE 119 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1un4 n PHE 120 N -1.58 0.05 -2.67 4.28 3.72 -0.80 -4.83 117.46 115.62 1un4 n PHE 120 Ca 0.06 -0.04 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 1un4 n PHE 120 Cb 0.29 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1un4 n PHE 120 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1un4 s ARG 121 N -1.41 3.72 0.00 -1.08 0.52 -1.17 -5.08 118.95 114.45 1un4 s ARG 121 Ca 0.21 0.51 0.00 0.00 -0.52 0.00 0.00 55.73 55.94 1un4 s ARG 121 Cb 0.15 -3.89 0.00 0.00 0.52 0.00 0.00 34.95 31.73 1un4 s ARG 121 CO 0.22 -1.27 0.00 2.89 0.02 0.00 0.00 175.30 177.16