#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k58 s ASN 3 N 0.00 4.16 0.55 -2.24 3.04 -1.26 -4.99 114.94 114.20 1k58 s ASN 3 Ca 0.00 -1.24 0.37 0.00 0.04 0.00 0.00 52.86 52.03 1k58 s ASN 3 Cb 0.00 -1.52 1.99 0.00 -1.54 0.00 0.00 41.25 40.18 1k58 s ASN 3 CO 0.00 -0.15 2.13 0.77 -3.04 0.00 0.00 177.10 176.80 1k58 h SER 4 N 7.81 0.00 0.14 -4.21 4.64 -2.03 0.50 113.55 120.41 1k58 h SER 4 Ca -0.24 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.81 1k58 h SER 4 Cb 1.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1k58 h SER 4 CO 0.49 0.00 -1.29 0.03 -0.87 0.00 0.00 176.83 175.20 1k58 h ARG 5 N 0.00 0.30 -0.43 4.77 3.08 -1.94 -2.73 114.38 117.42 1k58 h ARG 5 Ca 0.00 -0.52 -0.09 0.00 0.07 0.00 0.00 59.98 59.44 1k58 h ARG 5 Cb 0.01 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1k58 h ARG 5 CO 0.00 1.25 -0.09 -0.92 -1.07 0.00 0.00 179.97 179.14 1k58 h TYR 6 N -0.24 0.82 0.00 3.04 3.20 -1.58 0.71 116.97 122.93 1k58 h TYR 6 Ca -0.26 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1k58 h TYR 6 Cb 1.80 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.86 1k58 h TYR 6 CO 0.14 0.81 0.00 1.79 -1.64 0.00 0.00 178.16 179.26 1k58 h THR 7 N 0.69 0.00 0.04 1.81 1.35 -1.04 1.18 112.91 116.94 1k58 h THR 7 Ca 0.12 -0.56 -0.24 0.00 -0.55 0.00 0.00 66.41 65.18 1k58 h THR 7 Cb 0.55 1.52 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1k58 h THR 7 CO 0.03 0.00 -1.16 -0.74 -0.25 0.00 0.00 175.52 173.41 1k58 h HIS 8 N 0.00 0.14 0.11 4.73 -0.00 -0.73 0.10 115.15 119.50 1k58 h HIS 8 Ca 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.27 1k58 h HIS 8 Cb 0.71 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.12 1k58 h HIS 8 CO 0.00 1.09 -0.05 0.35 -0.00 0.00 0.00 177.93 179.31 1k58 h PHE 9 N 0.02 -0.14 0.03 5.26 3.57 0.17 -2.71 116.94 123.14 1k58 h PHE 9 Ca -0.08 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.43 1k58 h PHE 9 Cb 1.85 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.63 1k58 h PHE 9 CO 0.02 0.25 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.22 1k58 h LEU 10 N -0.57 -0.18 -0.54 0.59 3.38 0.14 -1.04 115.31 117.10 1k58 h LEU 10 Ca -0.02 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.09 1k58 h LEU 10 Cb 0.45 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.17 1k58 h LEU 10 CO 0.02 -0.10 -0.19 0.74 0.09 0.00 0.00 178.44 179.01 1k58 h THR 11 N -0.13 0.37 -0.50 0.22 2.02 -0.82 -1.76 112.91 112.31 1k58 h THR 11 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1k58 h THR 11 Cb 0.15 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1k58 h THR 11 CO -0.05 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.84 1k58 n GLN 12 N -5.41 2.56 -0.04 6.66 10.64 -1.02 -4.49 117.38 126.28 1k58 n GLN 12 Ca 0.05 -2.33 0.00 0.00 -1.83 0.00 0.00 57.00 52.89 1k58 n GLN 12 Cb 0.31 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 1k58 n GLN 12 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1k58 n HIS 13 N 1.32 0.00 -4.32 2.61 8.25 -0.41 -4.68 115.22 117.99 1k58 n HIS 13 Ca 0.19 -0.13 -0.20 0.00 -0.26 0.00 0.00 57.72 57.32 1k58 n HIS 13 Cb 0.56 -0.02 -0.16 0.00 1.12 0.00 0.00 29.99 31.50 1k58 n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1k58 s TYR 14 N -0.28 0.87 -0.27 4.41 5.04 -0.67 -0.23 117.35 126.22 1k58 s TYR 14 Ca 0.01 -0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.40 1k58 s TYR 14 Cb 0.01 -0.65 0.14 0.00 0.35 0.00 0.00 41.96 41.80 1k58 s TYR 14 CO 0.00 -0.12 0.34 0.34 -1.34 0.00 0.00 175.55 174.77 1k58 s ASP 15 N 0.35 0.93 0.07 4.32 3.68 -0.43 -4.85 116.67 120.75 1k58 s ASP 15 Ca -0.05 -0.33 -0.15 0.00 2.13 0.00 0.00 52.55 54.14 1k58 s ASP 15 Cb -0.10 0.80 -0.04 0.00 -1.45 0.00 0.00 42.92 42.14 1k58 s ASP 15 CO 0.01 -0.35 1.27 0.00 0.13 0.00 0.00 175.17 176.22 1k58 h ALA 16 N 8.22 -0.35 -3.02 3.66 0.00 -1.83 -3.36 119.26 122.59 1k58 h ALA 16 Ca -0.14 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1k58 h ALA 16 Cb 1.12 1.10 -0.32 0.00 0.00 0.00 0.00 17.79 19.69 1k58 h ALA 16 CO 0.29 -0.53 -0.53 -1.59 0.00 0.00 0.00 179.25 176.89 1k58 s LYS 17 N -4.24 0.15 -0.33 0.00 -2.85 -1.26 -1.61 119.74 109.60 1k58 s LYS 17 Ca -0.06 0.58 -0.09 0.00 -1.00 0.00 0.00 55.97 55.39 1k58 s LYS 17 Cb 0.05 -0.12 0.01 0.00 -2.06 0.00 0.00 37.83 35.70 1k58 s LYS 17 CO 0.30 -0.22 0.15 -1.25 0.10 0.00 0.00 175.35 174.44 1k58 s PRO 18 N 1.72 3.10 0.38 1.78 0.05 -1.26 -4.94 135.00 135.83 1k58 s PRO 18 Ca -0.05 -0.88 0.26 0.00 0.05 0.00 0.00 61.00 60.39 1k58 s PRO 18 Cb -0.11 -3.57 1.39 0.00 0.05 0.00 0.00 34.50 32.25 1k58 s PRO 18 CO -0.08 -0.52 1.80 1.96 0.05 0.00 0.00 177.00 180.21 1k58 h GLN 19 N 8.35 0.00 -4.75 4.56 4.20 -2.01 -3.41 115.11 122.04 1k58 h GLN 19 Ca -0.29 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.12 1k58 h GLN 19 Cb 1.13 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.71 1k58 h GLN 19 CO 0.63 0.00 -0.73 0.20 -0.67 0.00 0.00 178.83 178.25 1k58 s GLY 20 N -3.67 0.66 -0.04 3.46 0.00 -1.26 -5.07 107.32 101.39 1k58 s GLY 20 Ca -0.02 -0.97 0.07 0.00 0.00 0.00 0.00 44.72 43.79 1k58 s GLY 20 CO 0.26 -1.04 1.06 0.54 0.00 0.00 0.00 173.10 173.92 1k58 n ARG 21 N 1.01 0.41 -0.17 2.90 1.74 -1.26 -4.89 116.66 116.40 1k58 n ARG 21 Ca -0.20 -1.55 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 1k58 n ARG 21 Cb 0.56 -0.80 0.00 0.00 -1.02 0.00 0.00 32.46 31.20 1k58 n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1k58 n ASP 22 N -0.44 0.00 -0.07 0.55 5.68 -1.26 -4.71 116.55 116.30 1k58 n ASP 22 Ca 0.05 -0.52 -0.02 0.00 -0.50 0.00 0.00 54.79 53.81 1k58 n ASP 22 Cb 0.70 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.92 1k58 n ASP 22 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1k58 h ASP 23 N 0.00 0.65 1.09 -1.12 5.19 -1.89 -2.65 116.42 117.69 1k58 h ASP 23 Ca 0.00 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1k58 h ASP 23 Cb 0.00 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1k58 h ASP 23 CO 0.00 0.67 0.00 0.03 -3.12 0.00 0.00 179.24 176.82 1k58 h ARG 24 N 0.67 0.00 0.13 3.56 3.08 -1.94 -0.61 114.38 119.27 1k58 h ARG 24 Ca 0.15 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.00 1k58 h ARG 24 Cb 0.31 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.38 1k58 h ARG 24 CO 0.00 0.00 -0.92 -0.92 -1.07 0.00 0.00 179.97 177.06 1k58 h TYR 25 N 0.00 0.50 -0.46 3.04 3.20 -1.82 -3.01 116.97 118.42 1k58 h TYR 25 Ca 0.00 -0.37 0.01 0.00 3.14 0.00 0.00 58.73 61.52 1k58 h TYR 25 Cb 0.55 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.77 1k58 h TYR 25 CO 0.00 1.36 0.28 0.00 -1.64 0.00 0.00 178.16 178.16 1k58 h GLU 27 N 0.57 0.00 0.00 0.00 5.08 -1.23 -2.41 114.58 116.59 1k58 h GLU 27 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1k58 h GLU 27 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1k58 h GLU 27 CO -0.06 0.00 -0.18 1.03 -1.00 0.00 0.00 179.01 178.79 1k58 h SER 28 N 0.00 0.00 -0.79 1.42 0.87 -1.29 -3.34 113.55 110.42 1k58 h SER 28 Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1k58 h SER 28 Cb 0.53 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.42 1k58 h SER 28 CO 0.00 0.32 0.42 -0.29 -0.53 0.00 0.00 176.83 176.76 1k58 h ILE 29 N -0.47 0.86 -0.89 2.23 2.10 -1.15 -0.29 117.51 119.90 1k58 h ILE 29 Ca 0.00 -0.24 0.06 0.00 1.08 0.00 0.00 64.86 65.76 1k58 h ILE 29 Cb 0.18 0.10 -0.06 0.00 -1.09 0.00 0.00 36.82 35.95 1k58 h ILE 29 CO 0.00 0.13 0.56 0.24 -1.08 0.00 0.00 178.15 178.00 1k58 h MET 30 N 0.70 1.01 -0.16 2.19 2.86 -1.65 0.13 114.93 120.01 1k58 h MET 30 Ca 0.39 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.83 1k58 h MET 30 Cb 0.41 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1k58 h MET 30 CO -0.27 0.67 -0.50 -0.09 1.06 0.00 0.00 176.91 177.78 1k58 h ARG 31 N 1.04 0.42 -0.06 1.72 2.43 -1.38 0.67 114.38 119.23 1k58 h ARG 31 Ca 0.38 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1k58 h ARG 31 Cb 0.13 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1k58 h ARG 31 CO -0.16 0.82 0.00 2.89 -1.51 0.00 0.00 179.97 182.02 1k58 n ARG 32 N -3.97 1.35 -1.41 0.20 1.85 -0.23 -2.96 116.66 111.49 1k58 n ARG 32 Ca -0.02 -0.52 -0.08 0.00 -1.00 0.00 0.00 57.85 56.22 1k58 n ARG 32 Cb 0.56 -1.39 0.11 0.00 -1.05 0.00 0.00 32.46 30.68 1k58 n ARG 32 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1k58 n ARG 33 N -0.30 2.47 -4.08 2.89 5.12 -0.13 -4.95 116.66 117.66 1k58 n ARG 33 Ca 0.17 -3.66 -0.34 0.00 -1.93 0.00 0.00 57.85 52.09 1k58 n ARG 33 Cb 0.21 -1.85 -0.03 0.00 -1.16 0.00 0.00 32.46 29.63 1k58 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k58 n GLY 34 N -0.83 -0.45 1.29 -0.13 0.00 -1.15 -4.85 105.19 99.06 1k58 n GLY 34 Ca 0.29 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.40 1k58 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k58 n LEU 35 N -4.15 4.56 0.00 0.99 4.32 0.21 -4.67 117.00 118.26 1k58 n LEU 35 Ca 0.07 -3.46 0.00 0.00 -0.02 0.00 0.00 56.01 52.60 1k58 n LEU 35 Cb 0.49 -0.64 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1k58 n LEU 35 CO 0.79 1.01 0.06 0.35 -1.22 0.00 0.00 177.39 178.38 1k58 n THR 36 N -0.83 0.00 -3.75 -5.08 -2.24 -1.26 -1.95 114.28 99.17 1k58 n THR 36 Ca 0.33 -0.39 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 1k58 n THR 36 Cb 1.10 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 70.28 1k58 n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1k58 s SER 37 N -0.54 3.76 1.09 3.42 0.15 -1.26 -2.44 113.70 117.87 1k58 s SER 37 Ca 0.00 -3.38 -0.15 0.00 0.70 0.00 0.00 55.95 53.12 1k58 s SER 37 Cb 0.00 -1.24 0.23 0.00 -1.71 0.00 0.00 66.02 63.30 1k58 s SER 37 CO 0.00 -0.15 1.09 -2.16 1.20 0.00 0.00 173.24 173.22 1k58 s PRO 38 N -0.68 -0.29 -0.12 5.44 0.04 -1.26 -5.14 135.00 132.99 1k58 s PRO 38 Ca 0.25 0.31 -0.26 0.00 0.04 0.00 0.00 61.00 61.34 1k58 s PRO 38 Cb -0.08 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 1k58 s PRO 38 CO -0.13 -3.17 0.85 0.00 0.04 0.00 0.00 177.00 174.59 1k58 s LYS 40 N 1.75 4.31 0.18 0.00 2.36 -0.82 -4.81 119.74 122.71 1k58 s LYS 40 Ca 0.41 2.24 -0.08 0.00 -2.55 0.00 0.00 55.97 55.99 1k58 s LYS 40 Cb -0.17 -3.12 0.07 0.00 -1.05 0.00 0.00 37.83 33.56 1k58 s LYS 40 CO 0.16 -0.34 1.57 0.38 1.55 0.00 0.00 175.35 178.66 1k58 h ASP 41 N 4.78 0.92 -3.35 1.43 -0.00 -1.93 -3.40 116.42 114.86 1k58 h ASP 41 Ca -0.46 -0.36 -0.14 0.00 -0.00 0.00 0.00 57.03 56.07 1k58 h ASP 41 Cb 1.22 -0.25 -0.27 0.00 -0.00 0.00 0.00 39.33 40.03 1k58 h ASP 41 CO 0.75 1.12 -0.34 -0.51 -0.00 0.00 0.00 179.24 180.27 1k58 s ILE 42 N -4.58 -0.02 -0.06 4.15 2.07 -1.26 0.01 121.20 121.50 1k58 s ILE 42 Ca -0.10 0.09 -0.05 0.00 -1.41 0.00 0.00 60.65 59.17 1k58 s ILE 42 Cb 0.12 -0.55 0.02 0.00 0.13 0.00 0.00 42.46 42.19 1k58 s ILE 42 CO 0.86 0.04 0.16 0.21 -1.91 0.00 0.00 174.94 174.29 1k58 s ASN 43 N 1.18 -0.16 -0.13 4.50 2.47 -1.02 -5.01 114.94 116.77 1k58 s ASN 43 Ca -0.08 0.32 0.03 0.00 0.42 0.00 0.00 52.86 53.55 1k58 s ASN 43 Cb -0.08 0.31 0.01 0.00 -1.45 0.00 0.00 41.25 40.04 1k58 s ASN 43 CO -0.10 -0.07 -0.22 -0.89 -3.72 0.00 0.00 177.10 172.11 1k58 s THR 44 N 0.21 2.03 0.09 -5.21 2.01 -1.26 -0.75 115.64 112.75 1k58 s THR 44 Ca -0.01 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.04 1k58 s THR 44 Cb -0.02 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1k58 s THR 44 CO -0.01 0.55 0.15 -0.36 -0.69 0.00 0.00 174.62 174.26 1k58 s PHE 45 N 0.76 3.33 -0.03 4.92 0.08 -0.57 -4.49 117.98 121.98 1k58 s PHE 45 Ca -0.09 0.13 0.02 0.00 0.12 0.00 0.00 56.93 57.12 1k58 s PHE 45 Cb -0.16 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1k58 s PHE 45 CO -0.00 0.55 -0.07 0.42 -0.10 0.00 0.00 175.22 176.01 1k58 s ILE 46 N -1.50 3.67 0.33 0.64 1.01 0.68 -1.94 121.20 124.10 1k58 s ILE 46 Ca 0.32 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.43 1k58 s ILE 46 Cb -0.12 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1k58 s ILE 46 CO 0.25 0.49 -0.00 -1.00 0.00 0.00 0.00 174.94 174.68 1k58 s HIS 47 N -0.91 2.54 0.00 3.97 3.76 -1.00 -1.31 115.29 122.35 1k58 s HIS 47 Ca 0.15 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1k58 s HIS 47 Cb -0.11 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.14 1k58 s HIS 47 CO 0.05 0.50 0.00 0.41 -0.85 0.00 0.00 174.74 174.85 1k58 n GLY 48 N -0.93 -1.79 3.59 -2.22 0.00 -0.63 -4.57 105.19 98.64 1k58 n GLY 48 Ca -0.04 -1.91 -0.51 0.00 0.00 0.00 0.00 46.02 43.55 1k58 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k58 n ASN 49 N 0.11 1.61 0.20 1.61 5.15 -1.26 -4.67 115.26 118.00 1k58 n ASN 49 Ca 0.00 1.12 0.13 0.00 -0.60 0.00 0.00 54.58 55.24 1k58 n ASN 49 Cb 0.00 -1.20 0.33 0.00 -0.53 0.00 0.00 39.78 38.38 1k58 n ASN 49 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1k58 h LYS 50 N 4.29 0.00 0.00 1.20 3.11 -1.99 -3.28 116.57 119.91 1k58 h LYS 50 Ca -0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 1k58 h LYS 50 Cb 1.34 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.57 1k58 h LYS 50 CO 0.76 0.00 -0.85 -0.09 -2.81 0.00 0.00 179.45 176.46 1k58 h ARG 51 N 0.00 0.00 0.00 1.90 9.65 -2.00 -3.18 114.38 120.75 1k58 h ARG 51 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1k58 h ARG 51 Cb 0.81 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.39 1k58 h ARG 51 CO 0.00 0.00 0.00 0.43 2.80 0.00 0.00 179.97 183.20 1k58 n SER 52 N -2.73 0.00 -0.07 -3.80 7.64 -1.23 -2.06 113.62 111.36 1k58 n SER 52 Ca 0.01 -1.19 -0.15 0.00 1.01 0.00 0.00 58.87 58.55 1k58 n SER 52 Cb 0.55 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 1k58 n SER 52 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1k58 n ILE 53 N -0.67 0.78 0.28 0.44 5.41 -1.21 -4.42 119.36 119.97 1k58 n ILE 53 Ca 0.06 -0.20 0.13 0.00 1.00 0.00 0.00 62.75 63.74 1k58 n ILE 53 Cb 0.03 -1.69 0.80 0.00 -0.71 0.00 0.00 39.64 38.06 1k58 n ILE 53 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1k58 h LYS 54 N -0.51 0.00 0.00 0.38 1.57 -1.48 -1.50 116.57 115.03 1k58 h LYS 54 Ca -0.36 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.38 1k58 h LYS 54 Cb 1.32 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 1k58 h LYS 54 CO -0.22 0.06 -0.16 0.00 -0.57 0.00 0.00 179.45 178.56 1k58 h ALA 55 N 1.94 1.53 -0.32 3.86 0.00 -1.64 -2.00 119.26 122.63 1k58 h ALA 55 Ca -0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1k58 h ALA 55 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1k58 h ALA 55 CO 0.01 0.21 0.22 0.82 0.00 0.00 0.00 179.25 180.50 1k58 h ILE 56 N 0.00 0.97 0.00 0.00 2.04 -1.45 0.20 117.51 119.26 1k58 h ILE 56 Ca -0.00 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1k58 h ILE 56 Cb 0.33 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1k58 h ILE 56 CO 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 178.15 178.20 1k58 s GLU 58 N -4.10 1.47 0.41 0.00 -1.05 0.69 -4.88 118.70 111.24 1k58 s GLU 58 Ca -0.03 -1.74 0.24 0.00 -0.15 0.00 0.00 54.97 53.29 1k58 s GLU 58 Cb 0.12 -1.02 1.28 0.00 -0.44 0.00 0.00 34.13 34.07 1k58 s GLU 58 CO 0.48 0.02 1.68 -0.91 0.95 0.00 0.00 175.26 177.48 1k58 h ASN 59 N 2.36 0.34 -0.90 0.83 2.35 -1.76 -2.57 115.58 116.23 1k58 h ASN 59 Ca -0.39 0.13 0.26 0.00 -0.55 0.00 0.00 56.30 55.74 1k58 h ASN 59 Cb 1.23 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.65 1k58 h ASN 59 CO 0.66 -0.09 0.64 0.50 -1.65 0.00 0.00 177.43 177.49 1k58 h LYS 60 N 0.21 0.02 0.00 0.81 3.64 -1.94 -3.23 116.57 116.08 1k58 h LYS 60 Ca 0.73 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.11 1k58 h LYS 60 Cb 2.10 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.91 1k58 h LYS 60 CO -0.40 0.01 -0.36 -1.71 -2.27 0.00 0.00 179.45 174.72 1k58 n ASN 61 N -4.28 0.01 -3.74 4.20 5.15 -1.02 -4.97 115.26 110.60 1k58 n ASN 61 Ca 0.19 -1.72 -0.13 0.00 -0.60 0.00 0.00 54.58 52.32 1k58 n ASN 61 Cb 0.95 -0.14 -0.11 0.00 -0.53 0.00 0.00 39.78 39.95 1k58 n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1k58 s GLY 62 N -0.73 -0.27 0.02 8.20 0.00 -1.00 -1.35 107.32 112.19 1k58 s GLY 62 Ca 0.00 1.07 0.09 0.00 0.00 0.00 0.00 44.72 45.88 1k58 s GLY 62 CO -0.00 0.97 -0.26 -1.31 0.00 0.00 0.00 173.10 172.50 1k58 s ASN 63 N 0.34 3.04 0.50 1.64 0.01 0.17 -4.28 114.94 116.36 1k58 s ASN 63 Ca -0.01 -0.53 -0.20 0.00 -0.71 0.00 0.00 52.86 51.41 1k58 s ASN 63 Cb -0.03 -0.30 -0.11 0.00 0.41 0.00 0.00 41.25 41.22 1k58 s ASN 63 CO -0.01 0.27 0.48 -2.65 -1.51 0.00 0.00 177.10 173.68 1k58 n PRO 64 N 2.05 0.51 -3.73 -0.60 -0.02 -1.26 -0.86 135.00 131.09 1k58 n PRO 64 Ca -0.16 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.38 1k58 n PRO 64 Cb 0.52 -1.56 -0.10 0.00 -0.02 0.00 0.00 33.50 32.33 1k58 n PRO 64 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1k58 s HIS 65 N -1.64 -0.47 0.00 6.00 2.46 0.20 -4.63 115.29 117.21 1k58 s HIS 65 Ca 0.65 1.11 0.00 0.00 0.47 0.00 0.00 55.06 57.29 1k58 s HIS 65 Cb -0.52 0.17 0.00 0.00 -0.13 0.00 0.00 32.58 32.11 1k58 s HIS 65 CO 0.57 -0.24 0.00 -2.13 -2.47 0.00 0.00 174.74 170.47 1k58 n ARG 66 N 3.17 0.00 0.00 2.88 3.00 -1.26 -2.35 116.66 122.10 1k58 n ARG 66 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.70 1k58 n ARG 66 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 1k58 n ARG 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1k58 n GLU 67 N 14.00 0.00 -0.06 -0.14 4.71 -1.26 -4.73 120.64 133.16 1k58 n GLU 67 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.27 1k58 n GLU 67 Cb 0.00 -0.02 0.13 0.00 -1.01 0.00 0.00 31.44 30.55 1k58 n GLU 67 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1k58 n ASN 68 N 0.00 3.09 -4.78 1.62 6.94 -1.26 -4.98 115.26 115.90 1k58 n ASN 68 Ca 0.00 -1.97 -0.37 0.00 -0.02 0.00 0.00 54.58 52.22 1k58 n ASN 68 Cb 0.00 -0.08 -0.04 0.00 -2.36 0.00 0.00 39.78 37.31 1k58 n ASN 68 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1k58 s LEU 69 N -1.78 4.19 0.01 -4.53 2.01 -0.99 -4.77 118.68 112.82 1k58 s LEU 69 Ca 0.31 2.12 0.04 0.00 0.01 0.00 0.00 54.13 56.61 1k58 s LEU 69 Cb 0.20 -4.10 -0.03 0.00 0.01 0.00 0.00 46.19 42.27 1k58 s LEU 69 CO 0.30 -0.50 -0.10 -0.13 1.01 0.00 0.00 176.35 176.92 1k58 s ARG 70 N -2.35 2.42 -0.02 1.70 0.52 0.83 0.62 118.95 122.67 1k58 s ARG 70 Ca 0.56 -0.79 0.07 0.00 -0.52 0.00 0.00 55.73 55.06 1k58 s ARG 70 Cb -0.25 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.80 1k58 s ARG 70 CO 0.31 0.59 -0.23 -1.50 0.02 0.00 0.00 175.30 174.49 1k58 s ILE 71 N -0.95 1.80 0.69 1.52 2.07 -0.04 -0.23 121.20 126.06 1k58 s ILE 71 Ca 0.16 -0.97 -0.13 0.00 -1.41 0.00 0.00 60.65 58.30 1k58 s ILE 71 Cb -0.11 -1.50 0.01 0.00 0.13 0.00 0.00 42.46 40.99 1k58 s ILE 71 CO 0.06 0.51 1.09 -0.94 -1.91 0.00 0.00 174.94 173.75 1k58 s SER 72 N -0.46 5.03 -0.14 4.50 1.04 -0.74 0.46 113.70 123.39 1k58 s SER 72 Ca 0.07 1.88 -0.08 0.00 0.48 0.00 0.00 55.95 58.30 1k58 s SER 72 Cb -0.09 -2.53 -0.24 0.00 0.10 0.00 0.00 66.02 63.25 1k58 s SER 72 CO -0.00 -1.68 0.29 0.29 0.98 0.00 0.00 173.24 173.11 1k58 n LYS 73 N -2.79 0.72 -3.21 4.02 5.02 -0.46 -4.77 118.16 116.69 1k58 n LYS 73 Ca 0.09 0.29 -0.34 0.00 -2.02 0.00 0.00 58.31 56.34 1k58 n LYS 73 Cb 0.53 -1.70 -0.06 0.00 -0.02 0.00 0.00 35.03 33.78 1k58 n LYS 73 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k58 s SER 74 N -6.99 6.84 0.46 4.39 1.04 -1.26 -5.04 113.70 113.14 1k58 s SER 74 Ca -0.25 1.22 -0.17 0.00 0.48 0.00 0.00 55.95 57.23 1k58 s SER 74 Cb 0.07 -2.35 -0.09 0.00 0.10 0.00 0.00 66.02 63.75 1k58 s SER 74 CO 0.73 -0.06 0.93 -0.55 0.98 0.00 0.00 173.24 175.27 1k58 s SER 75 N -2.00 6.73 0.10 7.02 0.15 -1.26 -4.51 113.70 119.93 1k58 s SER 75 Ca 0.47 1.54 0.08 0.00 0.70 0.00 0.00 55.95 58.74 1k58 s SER 75 Cb -0.13 -2.49 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1k58 s SER 75 CO 0.19 -0.46 -0.21 -0.36 1.20 0.00 0.00 173.24 173.60 1k58 s PHE 76 N -2.40 1.80 0.02 3.44 0.08 0.56 -4.85 117.98 116.63 1k58 s PHE 76 Ca 0.59 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.93 1k58 s PHE 76 Cb -0.10 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 1k58 s PHE 76 CO 0.24 0.21 0.92 -0.65 -0.10 0.00 0.00 175.22 175.84 1k58 s GLN 77 N -1.91 4.57 0.04 0.44 -1.52 -1.26 -1.28 119.66 118.73 1k58 s GLN 77 Ca 0.07 1.32 0.01 0.00 -1.95 0.00 0.00 55.36 54.80 1k58 s GLN 77 Cb -0.10 -3.43 -0.03 0.00 -0.22 0.00 0.00 33.01 29.23 1k58 s GLN 77 CO 0.04 0.06 -0.05 0.14 -0.25 0.00 0.00 175.29 175.24 1k58 s VAL 78 N 0.64 0.31 -0.22 1.09 -7.23 -0.47 -2.37 120.40 112.14 1k58 s VAL 78 Ca 0.48 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 1k58 s VAL 78 Cb -0.21 -0.72 0.05 0.00 0.56 0.00 0.00 36.38 36.06 1k58 s VAL 78 CO 0.27 -0.59 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.51 1k58 s THR 79 N -2.09 1.56 -0.19 5.32 2.01 -0.82 -1.26 115.64 120.17 1k58 s THR 79 Ca -0.08 -1.16 -0.16 0.00 0.31 0.00 0.00 61.69 60.61 1k58 s THR 79 Cb -0.05 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 1k58 s THR 79 CO -0.03 -0.02 0.39 -0.89 -0.69 0.00 0.00 174.62 173.38 1k58 s THR 80 N 1.39 5.21 -0.43 -0.82 2.01 -0.41 -1.51 115.64 121.09 1k58 s THR 80 Ca -0.05 0.71 -0.11 0.00 0.31 0.00 0.00 61.69 62.55 1k58 s THR 80 Cb -0.18 -3.73 0.07 0.00 0.01 0.00 0.00 72.50 68.67 1k58 s THR 80 CO -0.07 0.27 0.29 0.00 -0.69 0.00 0.00 174.62 174.42 1k58 s LYS 82 N 1.50 3.70 0.75 0.00 3.01 -0.71 -2.43 119.74 125.57 1k58 s LYS 82 Ca 0.03 -0.22 -0.16 0.00 -1.01 0.00 0.00 55.97 54.61 1k58 s LYS 82 Cb -0.23 -3.76 -0.05 0.00 -1.01 0.00 0.00 37.83 32.78 1k58 s LYS 82 CO 0.04 -0.49 0.34 -0.11 0.51 0.00 0.00 175.35 175.64 1k58 n LEU 83 N 5.46 -0.31 -4.20 3.17 7.94 0.10 -1.86 117.00 127.30 1k58 n LEU 83 Ca -0.08 0.53 -0.27 0.00 -1.11 0.00 0.00 56.01 55.08 1k58 n LEU 83 Cb 0.50 -1.14 -0.16 0.00 0.53 0.00 0.00 43.42 43.15 1k58 n LEU 83 CO 0.41 -3.58 -0.52 -2.28 -1.11 0.00 0.00 177.39 170.30 1k58 s HIS 84 N -1.98 1.88 0.00 1.96 5.65 0.35 -4.75 115.29 118.41 1k58 s HIS 84 Ca 0.61 -0.44 0.00 0.00 0.25 0.00 0.00 55.06 55.48 1k58 s HIS 84 Cb -0.33 -1.23 0.00 0.00 -1.18 0.00 0.00 32.58 29.84 1k58 s HIS 84 CO 0.62 -0.10 0.00 0.41 -0.65 0.00 0.00 174.74 175.02 1k58 n GLY 85 N 2.80 0.37 0.00 1.59 0.00 -1.26 -4.40 105.19 104.29 1k58 n GLY 85 Ca -0.16 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1k58 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k58 n GLY 86 N 0.00 0.00 3.68 -0.02 0.00 -1.26 -5.09 105.19 102.49 1k58 n GLY 86 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1k58 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k58 n SER 87 N -0.16 3.71 0.00 1.61 2.88 -1.26 -4.84 113.62 115.56 1k58 n SER 87 Ca 0.00 0.99 0.08 0.00 -1.33 0.00 0.00 58.87 58.61 1k58 n SER 87 Cb 0.00 -1.47 0.49 0.00 -0.75 0.00 0.00 64.21 62.48 1k58 n SER 87 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1k58 n PRO 88 N 5.85 0.46 -3.79 -1.46 -0.04 -1.26 -4.74 135.00 130.02 1k58 n PRO 88 Ca 0.20 0.03 -0.34 0.00 -0.04 0.00 0.00 63.50 63.35 1k58 n PRO 88 Cb 0.34 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.25 1k58 n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1k58 s TRP 89 N -2.15 3.55 0.68 0.54 0.23 -1.26 -0.53 118.94 120.01 1k58 s TRP 89 Ca 0.23 0.50 -0.13 0.00 -2.03 0.00 0.00 56.10 54.67 1k58 s TRP 89 Cb 0.12 -1.94 0.01 0.00 0.03 0.00 0.00 33.47 31.69 1k58 s TRP 89 CO 0.21 0.59 1.09 -1.25 0.96 0.00 0.00 176.95 178.55 1k58 s PRO 90 N -1.99 2.77 0.48 4.98 0.04 -1.26 -4.41 135.00 135.60 1k58 s PRO 90 Ca 0.30 1.23 -0.23 0.00 0.04 0.00 0.00 61.00 62.34 1k58 s PRO 90 Cb -0.13 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1k58 s PRO 90 CO 0.19 -1.25 1.27 -1.25 0.04 0.00 0.00 177.00 176.00 1k58 s PRO 91 N -4.45 3.60 -0.38 0.56 0.04 -1.26 -5.14 135.00 127.97 1k58 s PRO 91 Ca 0.63 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 1k58 s PRO 91 Cb -0.18 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 31.96 1k58 s PRO 91 CO 0.46 -0.76 0.20 0.00 0.04 0.00 0.00 177.00 176.95 1k58 s GLN 93 N 1.49 4.10 0.30 0.00 -0.21 -1.26 -4.90 119.66 119.18 1k58 s GLN 93 Ca 0.01 -0.07 0.11 0.00 0.02 0.00 0.00 55.36 55.43 1k58 s GLN 93 Cb -0.20 -3.38 -0.06 0.00 1.00 0.00 0.00 33.01 30.37 1k58 s GLN 93 CO 0.05 0.36 -0.16 0.71 -2.12 0.00 0.00 175.29 174.13 1k58 s TYR 94 N 0.15 2.28 -0.17 0.91 2.02 -1.26 0.13 117.35 121.41 1k58 s TYR 94 Ca 0.13 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1k58 s TYR 94 Cb -0.12 -1.12 0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1k58 s TYR 94 CO 0.02 0.64 -0.07 1.03 -1.57 0.00 0.00 175.55 175.59 1k58 s ARG 95 N -3.56 1.64 0.70 -0.62 0.52 -0.78 -4.81 118.95 112.04 1k58 s ARG 95 Ca 0.30 -0.60 -0.11 0.00 -0.52 0.00 0.00 55.73 54.80 1k58 s ARG 95 Cb -0.02 -2.11 0.01 0.00 0.52 0.00 0.00 34.95 33.35 1k58 s ARG 95 CO 0.15 -0.42 1.06 0.00 0.02 0.00 0.00 175.30 176.12 1k58 s ALA 96 N 1.56 2.64 -0.33 2.13 0.00 -1.26 -1.73 121.76 124.77 1k58 s ALA 96 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1k58 s ALA 96 Cb -0.15 -3.19 0.15 0.00 0.00 0.00 0.00 23.12 19.93 1k58 s ALA 96 CO -0.08 -1.26 0.37 0.99 0.00 0.00 0.00 175.76 175.78 1k58 s THR 97 N -3.01 -0.46 0.34 0.00 2.01 0.10 -4.86 115.64 109.76 1k58 s THR 97 Ca 0.59 -0.62 -0.23 0.00 0.31 0.00 0.00 61.69 61.74 1k58 s THR 97 Cb -0.14 -0.82 -0.10 0.00 0.01 0.00 0.00 72.50 71.45 1k58 s THR 97 CO 0.54 -0.45 0.89 0.00 -0.69 0.00 0.00 174.62 174.92 1k58 s ALA 98 N 2.01 3.20 0.37 7.40 0.00 -1.26 -1.29 121.76 132.19 1k58 s ALA 98 Ca 0.13 0.39 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 1k58 s ALA 98 Cb -0.14 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1k58 s ALA 98 CO -0.19 0.20 0.64 0.20 0.00 0.00 0.00 175.76 176.61 1k58 s GLY 99 N -1.86 0.95 -0.24 0.00 0.00 -0.39 -4.98 107.32 100.80 1k58 s GLY 99 Ca 0.53 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.07 1k58 s GLY 99 CO 0.19 -0.65 0.09 -0.12 0.00 0.00 0.00 173.10 172.61 1k58 s PHE 100 N -2.61 0.80 0.23 1.90 5.36 -1.26 -1.37 117.98 121.03 1k58 s PHE 100 Ca 0.23 -0.95 -0.18 0.00 -0.96 0.00 0.00 56.93 55.07 1k58 s PHE 100 Cb -0.03 -1.07 0.02 0.00 -0.34 0.00 0.00 43.02 41.60 1k58 s PHE 100 CO 0.16 -0.72 0.58 1.03 -1.46 0.00 0.00 175.22 174.81 1k58 s ARG 101 N 1.93 1.52 0.11 10.12 0.52 -0.40 -4.84 118.95 127.90 1k58 s ARG 101 Ca 0.05 -0.94 -0.13 0.00 -0.52 0.00 0.00 55.73 54.19 1k58 s ARG 101 Cb -0.17 0.54 -0.06 0.00 0.52 0.00 0.00 34.95 35.78 1k58 s ARG 101 CO -0.21 -0.66 0.49 0.54 0.02 0.00 0.00 175.30 175.48 1k58 s ASN 102 N -2.90 6.76 0.41 0.23 4.22 -1.26 0.21 114.94 122.61 1k58 s ASN 102 Ca 0.11 0.97 -0.06 0.00 -2.14 0.00 0.00 52.86 51.74 1k58 s ASN 102 Cb -0.02 -2.25 -0.05 0.00 1.28 0.00 0.00 41.25 40.21 1k58 s ASN 102 CO 0.01 0.15 0.71 0.68 -2.04 0.00 0.00 177.10 176.61 1k58 s VAL 103 N -1.41 4.91 -0.14 3.54 -7.23 -1.26 -4.89 120.40 113.93 1k58 s VAL 103 Ca 0.35 0.23 0.01 0.00 -1.81 0.00 0.00 61.98 60.75 1k58 s VAL 103 Cb -0.15 -3.80 0.02 0.00 0.56 0.00 0.00 36.38 33.01 1k58 s VAL 103 CO 0.18 -0.63 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.51 1k58 s VAL 104 N -2.47 1.54 0.23 1.32 1.01 -1.26 -1.79 120.40 118.98 1k58 s VAL 104 Ca 0.47 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1k58 s VAL 104 Cb -0.10 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1k58 s VAL 104 CO 0.37 0.45 0.10 1.33 0.00 0.00 0.00 175.10 177.36 1k58 n VAL 105 N 4.62 0.00 -4.42 2.92 0.24 0.68 -2.54 118.33 119.83 1k58 n VAL 105 Ca -0.17 -1.42 -0.23 0.00 -2.04 0.00 0.00 64.34 60.48 1k58 n VAL 105 Cb 0.50 0.55 -0.17 0.00 -1.47 0.00 0.00 33.84 33.26 1k58 n VAL 105 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1k58 s ALA 106 N -2.69 1.08 0.19 2.33 0.00 -0.89 -0.12 121.76 121.66 1k58 s ALA 106 Ca 0.15 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.86 1k58 s ALA 106 Cb 0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1k58 s ALA 106 CO 0.10 0.04 0.09 0.00 0.00 0.00 0.00 175.76 176.00 1k58 s GLU 108 N -3.21 0.10 -1.33 0.00 2.02 0.21 -4.82 118.70 111.66 1k58 s GLU 108 Ca 0.30 0.41 -0.07 0.00 0.02 0.00 0.00 54.97 55.64 1k58 s GLU 108 Cb -0.09 -0.68 0.01 0.00 0.10 0.00 0.00 34.13 33.47 1k58 s GLU 108 CO 0.22 -0.45 1.10 0.09 0.02 0.00 0.00 175.26 176.24 1k58 n ASN 109 N 5.32 -4.92 0.00 -0.19 3.02 -1.26 -2.16 115.26 115.07 1k58 n ASN 109 Ca -0.05 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1k58 n ASN 109 Cb 0.50 -4.91 0.00 0.00 -0.61 0.00 0.00 39.78 34.76 1k58 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k58 n GLY 110 N -1.74 0.43 3.37 7.41 0.00 -1.26 -5.01 105.19 108.39 1k58 n GLY 110 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1k58 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k58 s LEU 111 N 0.00 2.28 0.17 0.99 1.43 -0.92 -4.70 118.68 117.93 1k58 s LEU 111 Ca 0.00 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1k58 s LEU 111 Cb 0.00 -1.40 -0.08 0.00 0.03 0.00 0.00 46.19 44.74 1k58 s LEU 111 CO 0.00 0.31 1.17 -2.16 0.23 0.00 0.00 176.35 175.91 1k58 s PRO 112 N -0.79 4.51 0.00 1.29 0.04 -1.26 0.63 135.00 139.42 1k58 s PRO 112 Ca 0.11 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1k58 s PRO 112 Cb -0.10 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1k58 s PRO 112 CO 0.00 -0.07 0.00 1.33 0.04 0.00 0.00 177.00 178.30 1k58 n VAL 113 N 2.67 0.00 -4.17 -0.36 0.24 0.99 -4.21 118.33 113.50 1k58 n VAL 113 Ca 0.05 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.19 1k58 n VAL 113 Cb 0.45 0.10 -0.11 0.00 -1.47 0.00 0.00 33.84 32.81 1k58 n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1k58 s HIS 114 N -1.60 1.11 -0.13 6.34 5.65 -1.08 -4.40 115.29 121.18 1k58 s HIS 114 Ca 0.00 -0.56 0.00 0.00 0.25 0.00 0.00 55.06 54.75 1k58 s HIS 114 Cb 0.00 -0.61 0.02 0.00 -1.18 0.00 0.00 32.58 30.81 1k58 s HIS 114 CO 0.00 0.03 -0.13 -1.17 -0.65 0.00 0.00 174.74 172.82 1k58 s LEU 115 N -2.13 1.56 -0.94 8.88 1.98 -1.26 -2.10 118.68 124.68 1k58 s LEU 115 Ca 0.02 -0.42 -0.24 0.00 -2.89 0.00 0.00 54.13 50.59 1k58 s LEU 115 Cb -0.06 -1.07 -0.06 0.00 0.66 0.00 0.00 46.19 45.66 1k58 s LEU 115 CO 0.01 -0.06 1.97 -2.28 -1.89 0.00 0.00 176.35 174.10 1k58 s HIS 116 N 1.42 1.80 -0.40 5.38 5.65 -1.05 -4.75 115.29 123.34 1k58 s HIS 116 Ca 0.02 0.68 0.25 0.00 0.25 0.00 0.00 55.06 56.26 1k58 s HIS 116 Cb -0.13 -4.01 1.04 0.00 -1.18 0.00 0.00 32.58 28.30 1k58 s HIS 116 CO -0.08 -1.65 1.75 0.37 -0.65 0.00 0.00 174.74 174.48 1k58 h GLN 117 N 11.13 0.00 0.00 2.88 5.75 -1.96 -3.26 115.11 129.65 1k58 h GLN 117 Ca 0.11 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.47 1k58 h GLN 117 Cb 1.00 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1k58 h GLN 117 CO 1.20 0.00 -0.87 0.66 -2.65 0.00 0.00 178.83 177.17 1k58 h SER 118 N 0.00 0.00 -0.10 -0.69 4.64 -1.99 -3.28 113.55 112.13 1k58 h SER 118 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 1k58 h SER 118 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1k58 h SER 118 CO 0.00 0.56 0.11 0.16 -0.87 0.00 0.00 176.83 176.80 1k58 h ILE 119 N 0.00 0.52 -0.15 0.95 3.07 -1.98 -0.68 117.51 119.24 1k58 h ILE 119 Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1k58 h ILE 119 Cb 1.49 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.94 1k58 h ILE 119 CO 0.06 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.65 1k58 n PHE 120 N -3.86 0.28 -2.30 0.16 3.72 -1.24 -4.89 117.46 109.32 1k58 n PHE 120 Ca -0.00 -0.12 -0.27 0.00 -0.05 0.00 0.00 57.45 57.01 1k58 n PHE 120 Cb 0.22 -0.05 0.15 0.00 -0.94 0.00 0.00 39.48 38.87 1k58 n PHE 120 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1k58 s ARG 121 N -1.69 1.08 -0.57 -1.08 0.52 -0.26 -5.02 118.95 111.94 1k58 s ARG 121 Ca 0.11 -0.86 0.06 0.00 -0.52 0.00 0.00 55.73 54.52 1k58 s ARG 121 Cb 0.06 -2.10 0.21 0.00 0.52 0.00 0.00 34.95 33.65 1k58 s ARG 121 CO 0.06 -1.97 0.56 0.54 0.02 0.00 0.00 175.30 174.51 1k58 n ARG 122 N -3.30 1.56 0.00 3.54 3.00 -1.26 -5.15 116.66 115.05 1k58 n ARG 122 Ca 0.16 -4.07 0.00 0.00 -0.01 0.00 0.00 57.85 53.93 1k58 n ARG 122 Cb 0.60 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 31.11 1k58 n ARG 122 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33