#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k59 s ASN 3 N 0.00 3.32 0.44 -1.12 2.47 -1.26 -4.82 114.94 113.96 1k59 s ASN 3 Ca 0.00 0.94 0.20 0.00 0.42 0.00 0.00 52.86 54.42 1k59 s ASN 3 Cb 0.00 -1.50 1.15 0.00 -1.45 0.00 0.00 41.25 39.45 1k59 s ASN 3 CO 0.00 -2.67 1.85 0.77 -3.72 0.00 0.00 177.10 173.33 1k59 h SER 4 N -1.58 0.35 -0.09 -4.21 4.64 -2.04 -2.50 113.55 108.12 1k59 h SER 4 Ca -0.50 0.04 -0.14 0.00 -0.47 0.00 0.00 61.79 60.71 1k59 h SER 4 Cb 1.33 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1k59 h SER 4 CO 0.60 0.13 -0.42 0.03 -0.87 0.00 0.00 176.83 176.29 1k59 h ARG 5 N 0.34 0.63 -0.31 4.77 3.08 -1.95 0.74 114.38 121.68 1k59 h ARG 5 Ca 0.47 -0.33 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1k59 h ARG 5 Cb 1.28 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 1k59 h ARG 5 CO -0.16 0.94 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.59 1k59 h TYR 6 N 0.51 0.76 -0.64 3.04 3.20 -1.64 -0.68 116.97 121.52 1k59 h TYR 6 Ca 0.04 -0.19 0.02 0.00 3.14 0.00 0.00 58.73 61.74 1k59 h TYR 6 Cb 0.95 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 1k59 h TYR 6 CO 0.04 0.89 0.40 1.15 -1.64 0.00 0.00 178.16 179.00 1k59 h THR 7 N 0.41 1.09 -0.46 1.81 2.02 -1.35 -1.59 112.91 114.84 1k59 h THR 7 Ca 0.07 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1k59 h THR 7 Cb 0.70 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1k59 h THR 7 CO 0.05 0.14 -0.02 -0.74 0.37 0.00 0.00 175.52 175.33 1k59 h HIS 8 N 0.79 0.82 -0.50 3.16 -0.00 -0.65 -2.21 115.15 116.57 1k59 h HIS 8 Ca 0.25 -0.12 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1k59 h HIS 8 Cb 0.00 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.16 1k59 h HIS 8 CO -0.05 0.77 0.33 0.35 -0.00 0.00 0.00 177.93 179.33 1k59 h PHE 9 N 0.72 0.62 -0.84 5.26 3.57 -0.25 -1.62 116.94 124.39 1k59 h PHE 9 Ca 0.14 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1k59 h PHE 9 Cb 0.46 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1k59 h PHE 9 CO 0.02 0.39 0.38 -0.07 -2.23 0.00 0.00 178.31 176.80 1k59 h LEU 10 N 0.67 1.12 -0.87 0.59 3.38 -1.10 0.38 115.31 119.48 1k59 h LEU 10 Ca 0.19 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1k59 h LEU 10 Cb -0.07 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1k59 h LEU 10 CO -0.05 0.96 0.19 0.74 0.09 0.00 0.00 178.44 180.36 1k59 h THR 11 N 1.21 1.25 0.00 0.22 2.02 -0.87 -1.40 112.91 115.34 1k59 h THR 11 Ca 0.29 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1k59 h THR 11 Cb 0.15 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1k59 h THR 11 CO -0.03 0.34 -0.89 1.56 0.37 0.00 0.00 175.52 176.87 1k59 h GLN 12 N 0.98 0.00 0.00 6.66 4.20 -0.96 -3.42 115.11 122.57 1k59 h GLN 12 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1k59 h GLN 12 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1k59 h GLN 12 CO -0.00 0.10 0.00 0.72 -0.67 0.00 0.00 178.83 178.98 1k59 n HIS 13 N -2.84 0.00 -4.66 2.96 8.25 0.13 -4.76 115.22 114.30 1k59 n HIS 13 Ca -0.01 -0.12 -0.26 0.00 -0.26 0.00 0.00 57.72 57.07 1k59 n HIS 13 Cb 0.62 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.56 1k59 n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1k59 s TYR 14 N -0.24 1.69 -0.32 4.41 5.04 -0.53 -0.16 117.35 127.24 1k59 s TYR 14 Ca 0.00 -0.66 -0.02 0.00 -2.44 0.00 0.00 57.07 53.95 1k59 s TYR 14 Cb 0.00 -1.21 0.12 0.00 0.35 0.00 0.00 41.96 41.22 1k59 s TYR 14 CO 0.00 -0.33 0.20 0.34 -1.34 0.00 0.00 175.55 174.42 1k59 s ASP 15 N 0.67 2.91 0.17 4.32 3.68 -0.60 -4.80 116.67 123.02 1k59 s ASP 15 Ca -0.14 -1.53 -0.28 0.00 2.13 0.00 0.00 52.55 52.73 1k59 s ASP 15 Cb -0.16 -0.18 0.00 0.00 -1.45 0.00 0.00 42.92 41.14 1k59 s ASP 15 CO 0.04 -0.38 1.55 0.00 0.13 0.00 0.00 175.17 176.51 1k59 h ALA 16 N 7.83 -0.41 -2.62 3.66 0.00 -1.79 -3.37 119.26 122.56 1k59 h ALA 16 Ca -0.09 0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 1k59 h ALA 16 Cb 1.01 1.20 -0.39 0.00 0.00 0.00 0.00 17.79 19.61 1k59 h ALA 16 CO 0.35 -0.89 -0.84 0.15 0.00 0.00 0.00 179.25 178.02 1k59 s LYS 17 N -5.67 0.50 0.63 0.00 3.01 -1.26 -1.97 119.74 114.98 1k59 s LYS 17 Ca -0.13 -1.21 -0.09 0.00 -1.01 0.00 0.00 55.97 53.53 1k59 s LYS 17 Cb 0.13 -1.29 -0.00 0.00 -1.01 0.00 0.00 37.83 35.66 1k59 s LYS 17 CO 0.64 -1.18 0.99 -1.25 0.51 0.00 0.00 175.35 175.06 1k59 s PRO 18 N 1.23 3.08 0.00 -1.68 0.04 -1.26 -5.07 135.00 131.33 1k59 s PRO 18 Ca 0.17 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1k59 s PRO 18 Cb -0.22 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1k59 s PRO 18 CO -0.05 -0.75 0.00 0.94 0.04 0.00 0.00 177.00 177.18 1k59 n GLN 19 N -2.74 0.00 -3.12 4.56 -0.06 -1.26 -4.96 117.38 109.80 1k59 n GLN 19 Ca 0.05 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.70 1k59 n GLN 19 Cb 0.57 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.68 1k59 n GLN 19 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1k59 s GLY 20 N 0.00 2.53 -0.69 1.69 0.00 -1.26 -4.97 107.32 104.62 1k59 s GLY 20 Ca 0.00 0.12 0.03 0.00 0.00 0.00 0.00 44.72 44.87 1k59 s GLY 20 CO 0.00 0.44 1.24 0.54 0.00 0.00 0.00 173.10 175.31 1k59 n ARG 21 N 0.44 3.81 -2.52 2.90 1.74 -1.26 -4.71 116.66 117.06 1k59 n ARG 21 Ca -0.01 -4.73 -0.17 0.00 -0.77 0.00 0.00 57.85 52.18 1k59 n ARG 21 Cb 0.52 -2.30 0.07 0.00 -1.02 0.00 0.00 32.46 29.72 1k59 n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1k59 n ASP 22 N -0.24 1.58 -0.25 0.55 3.85 -1.26 -4.62 116.55 116.16 1k59 n ASP 22 Ca 0.37 -2.18 0.03 0.00 -0.71 0.00 0.00 54.79 52.29 1k59 n ASP 22 Cb 0.38 -0.40 0.16 0.00 -1.35 0.00 0.00 41.12 39.90 1k59 n ASP 22 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1k59 h ASP 23 N -0.07 0.40 -0.19 -1.12 5.19 -1.87 -1.32 116.42 117.45 1k59 h ASP 23 Ca -0.24 0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.20 1k59 h ASP 23 Cb 1.02 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 1k59 h ASP 23 CO 0.31 0.21 -0.01 0.08 -3.12 0.00 0.00 179.24 176.71 1k59 h ARG 24 N 0.55 0.47 -0.23 3.56 0.11 -1.95 -1.69 114.38 115.19 1k59 h ARG 24 Ca 0.37 -0.09 0.01 0.00 0.10 0.00 0.00 59.98 60.37 1k59 h ARG 24 Cb 0.46 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.45 1k59 h ARG 24 CO -0.31 0.50 0.11 -0.92 0.10 0.00 0.00 179.97 179.45 1k59 h TYR 25 N 0.45 0.21 0.08 4.08 3.20 -1.54 -1.89 116.97 121.56 1k59 h TYR 25 Ca 0.10 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 1k59 h TYR 25 Cb 0.31 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1k59 h TYR 25 CO 0.01 0.12 -0.09 0.00 -1.64 0.00 0.00 178.16 176.56 1k59 h GLU 27 N -0.20 0.83 -0.00 0.00 5.08 -1.24 -1.16 114.58 117.88 1k59 h GLU 27 Ca 0.01 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1k59 h GLU 27 Cb 0.20 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1k59 h GLU 27 CO -0.04 0.55 -0.26 1.03 -1.00 0.00 0.00 179.01 179.30 1k59 h SER 28 N 0.86 0.23 0.25 1.42 0.87 -1.03 -3.19 113.55 112.96 1k59 h SER 28 Ca 0.38 -0.78 -0.09 0.00 -1.23 0.00 0.00 61.79 60.07 1k59 h SER 28 Cb 0.34 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1k59 h SER 28 CO -0.15 0.98 -0.36 -0.29 -0.53 0.00 0.00 176.83 176.49 1k59 h ILE 29 N -0.50 1.28 -0.33 2.23 2.10 -1.05 -1.30 117.51 119.94 1k59 h ILE 29 Ca -0.03 -1.33 -0.07 0.00 1.08 0.00 0.00 64.86 64.51 1k59 h ILE 29 Cb 1.02 1.62 -0.02 0.00 -1.09 0.00 0.00 36.82 38.35 1k59 h ILE 29 CO 0.05 0.39 -0.09 0.24 -1.08 0.00 0.00 178.15 177.67 1k59 h MET 30 N 0.13 0.56 0.09 2.19 2.86 -1.31 -0.75 114.93 118.70 1k59 h MET 30 Ca 0.02 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1k59 h MET 30 Cb 0.70 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1k59 h MET 30 CO 0.05 0.65 -0.04 0.00 1.06 0.00 0.00 176.91 178.63 1k59 h ARG 31 N 0.52 -0.12 -0.81 1.72 3.08 -1.49 0.20 114.38 117.49 1k59 h ARG 31 Ca 0.10 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.33 1k59 h ARG 31 Cb 0.47 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 1k59 h ARG 31 CO 0.03 0.40 0.54 -0.09 -1.07 0.00 0.00 179.97 179.77 1k59 h ARG 32 N -0.74 0.40 -0.58 0.04 2.43 -1.11 0.55 114.38 115.37 1k59 h ARG 32 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1k59 h ARG 32 Cb 0.57 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1k59 h ARG 32 CO 0.02 0.26 0.00 0.54 -1.51 0.00 0.00 179.97 179.28 1k59 n ARG 33 N -4.49 2.38 -3.29 0.20 5.12 -0.30 -4.95 116.66 111.33 1k59 n ARG 33 Ca 0.16 -2.14 -0.17 0.00 -1.93 0.00 0.00 57.85 53.77 1k59 n ARG 33 Cb 0.59 -1.47 0.07 0.00 -1.16 0.00 0.00 32.46 30.49 1k59 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k59 n GLY 34 N 1.45 -0.23 1.10 -0.13 0.00 0.18 -4.89 105.19 102.67 1k59 n GLY 34 Ca 0.20 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 1k59 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k59 n LEU 35 N -3.90 4.00 -0.09 0.99 4.77 0.68 -4.64 117.00 118.81 1k59 n LEU 35 Ca -0.08 -3.75 0.09 0.00 -0.03 0.00 0.00 56.01 52.24 1k59 n LEU 35 Cb 0.58 -0.62 0.13 0.00 -2.33 0.00 0.00 43.42 41.18 1k59 n LEU 35 CO 0.51 1.24 0.56 0.35 -1.33 0.00 0.00 177.39 178.72 1k59 n THR 36 N -1.10 1.80 -3.24 -5.08 -2.24 -1.25 -1.63 114.28 101.54 1k59 n THR 36 Ca 0.32 -2.15 -0.19 0.00 -2.27 0.00 0.00 64.05 59.76 1k59 n THR 36 Cb 1.00 -0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 1k59 n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1k59 s SER 37 N -2.77 0.73 0.85 3.42 0.15 -1.26 -3.63 113.70 111.19 1k59 s SER 37 Ca 0.30 -2.28 -0.12 0.00 0.70 0.00 0.00 55.95 54.55 1k59 s SER 37 Cb 0.26 0.41 0.10 0.00 -1.71 0.00 0.00 66.02 65.09 1k59 s SER 37 CO 0.03 -0.17 1.17 -2.16 1.20 0.00 0.00 173.24 173.30 1k59 s PRO 38 N 0.70 1.65 0.12 5.44 0.04 -1.26 -5.09 135.00 136.59 1k59 s PRO 38 Ca 0.27 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.16 1k59 s PRO 38 Cb -0.04 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 1k59 s PRO 38 CO -0.10 -1.83 1.59 0.00 0.04 0.00 0.00 177.00 176.70 1k59 s LYS 40 N 1.74 4.55 0.28 0.00 2.20 -0.64 -4.92 119.74 122.95 1k59 s LYS 40 Ca 0.71 1.87 -0.01 0.00 -0.36 0.00 0.00 55.97 58.18 1k59 s LYS 40 Cb -0.42 -3.20 0.41 0.00 -1.51 0.00 0.00 37.83 33.11 1k59 s LYS 40 CO 0.31 0.06 1.84 0.22 -0.36 0.00 0.00 175.35 177.42 1k59 h ASP 41 N 4.33 0.79 -4.22 1.43 3.58 -1.92 -3.40 116.42 117.01 1k59 h ASP 41 Ca -0.46 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 56.81 1k59 h ASP 41 Cb 1.21 -0.20 -0.21 0.00 1.72 0.00 0.00 39.33 41.85 1k59 h ASP 41 CO 0.70 0.75 0.09 -0.51 -2.88 0.00 0.00 179.24 177.39 1k59 s ILE 42 N -5.27 0.00 -0.21 2.25 2.07 -1.26 -0.75 121.20 118.03 1k59 s ILE 42 Ca -0.10 -0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 58.97 1k59 s ILE 42 Cb 0.16 -0.95 0.06 0.00 0.13 0.00 0.00 42.46 41.86 1k59 s ILE 42 CO 0.80 -0.01 0.53 0.21 -1.91 0.00 0.00 174.94 174.57 1k59 s ASN 43 N 0.00 -0.61 -0.08 4.50 2.47 -0.48 -5.00 114.94 115.74 1k59 s ASN 43 Ca -0.03 1.11 0.02 0.00 0.42 0.00 0.00 52.86 54.39 1k59 s ASN 43 Cb -0.04 1.07 -0.02 0.00 -1.45 0.00 0.00 41.25 40.81 1k59 s ASN 43 CO 0.03 -0.20 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.18 1k59 s THR 44 N 0.72 3.06 -0.08 -5.21 2.01 -1.26 -0.65 115.64 114.22 1k59 s THR 44 Ca -0.04 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.26 1k59 s THR 44 Cb -0.05 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 1k59 s THR 44 CO -0.05 0.57 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.04 1k59 s PHE 45 N -0.34 3.02 -0.05 4.92 0.08 -0.17 -4.58 117.98 120.86 1k59 s PHE 45 Ca 0.03 0.06 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 1k59 s PHE 45 Cb -0.13 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1k59 s PHE 45 CO 0.02 0.35 0.12 0.42 -0.10 0.00 0.00 175.22 176.03 1k59 s ILE 46 N -0.75 5.11 0.34 0.64 1.01 0.77 -1.60 121.20 126.73 1k59 s ILE 46 Ca 0.11 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.72 1k59 s ILE 46 Cb -0.11 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.00 1k59 s ILE 46 CO 0.02 0.46 -0.00 -1.00 0.00 0.00 0.00 174.94 174.41 1k59 s HIS 47 N -1.14 2.53 0.00 3.97 3.76 -0.51 -1.56 115.29 122.33 1k59 s HIS 47 Ca 0.21 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1k59 s HIS 47 Cb -0.12 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 32.10 1k59 s HIS 47 CO 0.11 0.49 0.00 0.41 -0.85 0.00 0.00 174.74 174.90 1k59 n GLY 48 N -0.93 -0.03 3.88 -2.22 0.00 -0.83 -4.39 105.19 100.66 1k59 n GLY 48 Ca -0.04 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 1k59 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k59 s ASN 49 N -4.00 6.50 0.43 1.61 4.22 -1.26 -4.51 114.94 117.92 1k59 s ASN 49 Ca 0.00 0.58 0.15 0.00 -2.14 0.00 0.00 52.86 51.45 1k59 s ASN 49 Cb 0.00 -2.10 1.04 0.00 1.28 0.00 0.00 41.25 41.47 1k59 s ASN 49 CO 0.00 0.32 1.94 0.11 -2.04 0.00 0.00 177.10 177.43 1k59 h LYS 50 N 4.46 0.40 -0.49 3.55 1.57 -1.99 -2.73 116.57 121.34 1k59 h LYS 50 Ca -0.52 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.32 1k59 h LYS 50 Cb 1.21 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.36 1k59 h LYS 50 CO 0.63 0.27 0.06 -0.09 -0.57 0.00 0.00 179.45 179.74 1k59 h ARG 51 N 0.41 0.17 -0.02 3.15 9.65 -2.00 -0.79 114.38 124.96 1k59 h ARG 51 Ca 0.34 -0.01 -0.08 0.00 -1.10 0.00 0.00 59.98 59.12 1k59 h ARG 51 Cb 0.74 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 1k59 h ARG 51 CO -0.10 0.11 -0.37 0.77 2.80 0.00 0.00 179.97 183.18 1k59 h SER 52 N 0.18 0.04 -0.07 -3.80 0.02 -1.91 -1.94 113.55 106.07 1k59 h SER 52 Ca 0.25 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1k59 h SER 52 Cb 0.35 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1k59 h SER 52 CO -0.36 0.41 -0.17 0.40 -1.14 0.00 0.00 176.83 175.97 1k59 h ILE 53 N 0.04 1.41 -0.35 3.27 2.04 -1.38 -3.17 117.51 119.37 1k59 h ILE 53 Ca 0.00 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.33 1k59 h ILE 53 Cb 0.68 2.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1k59 h ILE 53 CO 0.05 0.42 0.07 0.11 0.00 0.00 0.00 178.15 178.80 1k59 h LYS 54 N -0.24 0.52 0.00 2.37 1.57 -1.07 -2.30 116.57 117.42 1k59 h LYS 54 Ca -0.00 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1k59 h LYS 54 Cb 0.76 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1k59 h LYS 54 CO 0.04 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.42 1k59 n ALA 55 N -2.48 1.19 0.24 3.86 0.00 -0.74 -1.51 120.51 121.08 1k59 n ALA 55 Ca 0.02 0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.74 1k59 n ALA 55 Cb 0.20 -1.34 0.61 0.00 0.00 0.00 0.00 19.45 18.92 1k59 n ALA 55 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1k59 h ILE 56 N 0.00 0.74 0.00 0.00 2.04 -1.43 -1.82 117.51 117.04 1k59 h ILE 56 Ca 0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1k59 h ILE 56 Cb 0.09 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1k59 h ILE 56 CO 0.00 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1k59 s GLU 58 N -3.15 2.30 0.00 0.00 2.02 -0.70 -4.94 118.70 114.23 1k59 s GLU 58 Ca 0.07 -1.90 0.27 0.00 0.02 0.00 0.00 54.97 53.43 1k59 s GLU 58 Cb 0.11 -2.12 1.26 0.00 0.10 0.00 0.00 34.13 33.48 1k59 s GLU 58 CO 0.40 -0.42 1.89 0.09 0.02 0.00 0.00 175.26 177.24 1k59 n ASN 59 N -1.60 0.00 -0.22 -0.19 4.13 -1.26 -2.40 115.26 113.71 1k59 n ASN 59 Ca -0.01 0.18 -0.09 0.00 1.68 0.00 0.00 54.58 56.35 1k59 n ASN 59 Cb 0.64 -0.39 0.04 0.00 -1.54 0.00 0.00 39.78 38.53 1k59 n ASN 59 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1k59 h LYS 60 N 0.00 1.10 0.00 3.52 3.64 -1.93 -3.35 116.57 119.55 1k59 h LYS 60 Ca 0.00 -0.32 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 1k59 h LYS 60 Cb 0.35 -0.11 -0.15 0.00 -0.41 0.00 0.00 32.23 31.90 1k59 h LYS 60 CO 0.00 1.04 -0.66 -1.71 -2.27 0.00 0.00 179.45 175.85 1k59 n ASN 61 N -4.19 0.88 -3.67 4.20 5.15 -1.12 -4.95 115.26 111.56 1k59 n ASN 61 Ca 0.04 -2.36 -0.13 0.00 -0.60 0.00 0.00 54.58 51.53 1k59 n ASN 61 Cb 0.33 -0.31 -0.06 0.00 -0.53 0.00 0.00 39.78 39.21 1k59 n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1k59 s GLY 62 N -1.89 -0.27 0.11 8.20 0.00 -1.01 -1.89 107.32 110.57 1k59 s GLY 62 Ca 0.22 0.30 0.08 0.00 0.00 0.00 0.00 44.72 45.33 1k59 s GLY 62 CO -0.07 0.05 -0.21 -1.31 0.00 0.00 0.00 173.10 171.56 1k59 s ASN 63 N -2.00 2.57 0.68 1.64 0.02 0.57 -4.46 114.94 113.96 1k59 s ASN 63 Ca -0.05 -0.70 -0.16 0.00 -1.02 0.00 0.00 52.86 50.92 1k59 s ASN 63 Cb -0.01 -0.14 0.01 0.00 0.02 0.00 0.00 41.25 41.13 1k59 s ASN 63 CO -0.02 0.05 1.21 -2.16 0.02 0.00 0.00 177.10 176.20 1k59 s PRO 64 N -1.99 2.45 -0.09 -0.60 0.04 -1.26 -0.76 135.00 132.80 1k59 s PRO 64 Ca 0.07 1.78 -0.05 0.00 0.04 0.00 0.00 61.00 62.84 1k59 s PRO 64 Cb -0.10 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.61 1k59 s PRO 64 CO 0.04 -1.61 0.21 -1.58 0.04 0.00 0.00 177.00 174.11 1k59 s HIS 65 N -1.85 -0.26 0.00 0.56 2.46 0.33 -4.63 115.29 111.90 1k59 s HIS 65 Ca 0.75 0.64 0.00 0.00 0.47 0.00 0.00 55.06 56.93 1k59 s HIS 65 Cb -0.30 0.03 0.00 0.00 -0.13 0.00 0.00 32.58 32.18 1k59 s HIS 65 CO 0.41 -0.18 0.00 0.54 -2.47 0.00 0.00 174.74 173.04 1k59 n ARG 66 N 3.81 0.00 0.11 2.88 1.74 -1.26 -1.46 116.66 122.47 1k59 n ARG 66 Ca -0.21 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.83 1k59 n ARG 66 Cb 0.55 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 32.12 1k59 n ARG 66 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1k59 h GLU 67 N 0.00 0.14 0.00 5.56 3.07 -2.04 -3.41 114.58 117.89 1k59 h GLU 67 Ca 0.00 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1k59 h GLU 67 Cb 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1k59 h GLU 67 CO 0.00 0.72 -0.02 0.27 -1.40 0.00 0.00 179.01 178.58 1k59 n ASN 68 N -3.83 -0.08 -4.65 1.42 0.23 -1.20 -5.14 115.26 102.02 1k59 n ASN 68 Ca -0.02 -0.84 -0.25 0.00 -0.53 0.00 0.00 54.58 52.94 1k59 n ASN 68 Cb 0.63 0.02 -0.00 0.00 -2.08 0.00 0.00 39.78 38.35 1k59 n ASN 68 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1k59 n LEU 69 N 0.00 0.00 -4.01 -4.53 4.77 -0.53 -4.66 117.00 108.03 1k59 n LEU 69 Ca -0.02 -2.70 -0.15 0.00 -0.03 0.00 0.00 56.01 53.11 1k59 n LEU 69 Cb 0.40 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1k59 n LEU 69 CO -0.01 -0.56 -0.41 -0.13 -1.33 0.00 0.00 177.39 174.95 1k59 s ARG 70 N -4.10 0.50 -0.06 3.23 1.81 -0.08 -0.51 118.95 119.74 1k59 s ARG 70 Ca 0.28 -0.44 0.06 0.00 -1.72 0.00 0.00 55.73 53.90 1k59 s ARG 70 Cb -0.02 -0.40 -0.01 0.00 -0.45 0.00 0.00 34.95 34.07 1k59 s ARG 70 CO 0.18 0.10 -0.24 -1.50 -0.68 0.00 0.00 175.30 173.15 1k59 s ILE 71 N -0.66 2.11 0.55 1.52 2.07 0.06 -1.15 121.20 125.70 1k59 s ILE 71 Ca -0.03 -1.04 -0.18 0.00 -1.41 0.00 0.00 60.65 57.99 1k59 s ILE 71 Cb -0.05 -1.77 -0.05 0.00 0.13 0.00 0.00 42.46 40.71 1k59 s ILE 71 CO 0.00 0.57 1.06 -0.94 -1.91 0.00 0.00 174.94 173.72 1k59 s SER 72 N -0.10 5.93 -0.03 4.50 1.04 0.54 -0.31 113.70 125.26 1k59 s SER 72 Ca -0.05 1.92 -0.04 0.00 0.48 0.00 0.00 55.95 58.26 1k59 s SER 72 Cb -0.14 -2.55 -0.28 0.00 0.10 0.00 0.00 66.02 63.15 1k59 s SER 72 CO 0.04 -1.06 0.72 0.11 0.98 0.00 0.00 173.24 174.03 1k59 h LYS 73 N 0.92 0.26 -6.74 4.02 1.57 -1.73 -3.42 116.57 111.45 1k59 h LYS 73 Ca -0.48 -0.44 -0.49 0.00 -1.87 0.00 0.00 60.65 57.37 1k59 h LYS 73 Cb 1.23 0.16 0.02 0.00 0.08 0.00 0.00 32.23 33.72 1k59 h LYS 73 CO 0.58 1.11 -0.02 -1.54 -0.57 0.00 0.00 179.45 179.01 1k59 s SER 74 N -6.96 6.30 0.22 0.86 1.04 -1.26 -4.96 113.70 108.94 1k59 s SER 74 Ca -0.12 0.75 -0.08 0.00 0.48 0.00 0.00 55.95 56.98 1k59 s SER 74 Cb 0.07 -2.17 -0.07 0.00 0.10 0.00 0.00 66.02 63.95 1k59 s SER 74 CO 0.84 -0.43 0.51 -0.44 0.98 0.00 0.00 173.24 174.70 1k59 s SER 75 N -3.94 6.57 0.10 7.02 0.01 -1.26 -4.25 113.70 117.95 1k59 s SER 75 Ca 0.45 0.82 0.07 0.00 1.31 0.00 0.00 55.95 58.60 1k59 s SER 75 Cb -0.10 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 1k59 s SER 75 CO 0.40 -0.07 -0.18 -0.36 0.41 0.00 0.00 173.24 173.44 1k59 s PHE 76 N -1.83 1.58 0.10 2.43 0.08 -0.02 -4.86 117.98 115.47 1k59 s PHE 76 Ca 0.46 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 1k59 s PHE 76 Cb -0.11 -0.86 -0.06 0.00 -0.57 0.00 0.00 43.02 41.42 1k59 s PHE 76 CO 0.23 0.17 1.00 -0.65 -0.10 0.00 0.00 175.22 175.88 1k59 s GLN 77 N -2.06 4.64 0.08 0.44 -1.52 -1.26 -1.94 119.66 118.04 1k59 s GLN 77 Ca 0.05 1.51 -0.02 0.00 -1.95 0.00 0.00 55.36 54.96 1k59 s GLN 77 Cb -0.09 -3.37 -0.03 0.00 -0.22 0.00 0.00 33.01 29.30 1k59 s GLN 77 CO 0.04 0.12 0.03 0.14 -0.25 0.00 0.00 175.29 175.37 1k59 s VAL 78 N 0.16 0.18 -0.04 1.09 -7.23 -0.24 -1.43 120.40 112.89 1k59 s VAL 78 Ca 0.49 -1.73 -0.01 0.00 -1.81 0.00 0.00 61.98 58.92 1k59 s VAL 78 Cb -0.24 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.09 1k59 s VAL 78 CO 0.30 -0.80 0.02 -0.89 -0.31 0.00 0.00 175.10 173.42 1k59 s THR 79 N -3.94 0.14 -0.19 5.32 2.01 -0.62 -0.93 115.64 117.41 1k59 s THR 79 Ca 0.11 0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.25 1k59 s THR 79 Cb 0.07 -0.30 -0.04 0.00 0.01 0.00 0.00 72.50 72.24 1k59 s THR 79 CO -0.07 0.19 0.06 -0.89 -0.69 0.00 0.00 174.62 173.22 1k59 s THR 80 N 1.64 4.68 -0.28 -0.82 2.01 -0.33 -1.00 115.64 121.55 1k59 s THR 80 Ca -0.01 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 1k59 s THR 80 Cb -0.13 -3.12 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1k59 s THR 80 CO -0.03 0.44 0.11 0.00 -0.69 0.00 0.00 174.62 174.45 1k59 s LYS 82 N 1.61 3.42 0.25 0.00 2.36 -0.50 -1.38 119.74 125.50 1k59 s LYS 82 Ca 0.05 -0.62 -0.31 0.00 -2.55 0.00 0.00 55.97 52.54 1k59 s LYS 82 Cb -0.16 -2.90 -0.12 0.00 -1.05 0.00 0.00 37.83 33.60 1k59 s LYS 82 CO 0.05 -0.03 1.68 -1.17 1.55 0.00 0.00 175.35 177.43 1k59 s LEU 83 N 1.03 4.36 -0.05 5.43 2.96 0.07 -0.79 118.68 131.68 1k59 s LEU 83 Ca 0.00 2.92 0.02 0.00 -0.22 0.00 0.00 54.13 56.85 1k59 s LEU 83 Cb -0.15 -3.62 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 1k59 s LEU 83 CO -0.00 -0.96 -0.09 -2.28 -1.32 0.00 0.00 176.35 171.70 1k59 s HIS 84 N 0.68 2.87 0.00 5.38 5.65 0.20 -4.88 115.29 125.18 1k59 s HIS 84 Ca 0.70 -0.03 0.00 0.00 0.25 0.00 0.00 55.06 55.98 1k59 s HIS 84 Cb -0.49 -1.67 0.00 0.00 -1.18 0.00 0.00 32.58 29.23 1k59 s HIS 84 CO 0.39 0.30 0.00 0.41 -0.65 0.00 0.00 174.74 175.19 1k59 n GLY 85 N 2.16 2.00 2.77 1.59 0.00 -1.26 -4.25 105.19 108.19 1k59 n GLY 85 Ca -0.17 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 1k59 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k59 n GLY 86 N 1.99 5.76 3.26 -0.02 0.00 -1.26 -4.94 105.19 109.98 1k59 n GLY 86 Ca 0.00 -2.59 -0.12 0.00 0.00 0.00 0.00 46.02 43.31 1k59 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k59 s SER 87 N -1.91 -0.45 0.00 1.61 0.15 -1.26 -5.04 113.70 106.80 1k59 s SER 87 Ca 0.48 0.83 0.30 0.00 0.70 0.00 0.00 55.95 58.26 1k59 s SER 87 Cb 0.37 0.76 1.54 0.00 -1.71 0.00 0.00 66.02 66.98 1k59 s SER 87 CO -0.29 -0.17 2.04 -0.81 1.20 0.00 0.00 173.24 175.21 1k59 n PRO 88 N 3.67 0.81 -4.31 5.44 -0.04 -1.26 -4.89 135.00 134.43 1k59 n PRO 88 Ca -0.19 -0.15 -0.31 0.00 -0.04 0.00 0.00 63.50 62.81 1k59 n PRO 88 Cb 0.56 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 1k59 n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1k59 s TRP 89 N -2.29 2.83 0.45 0.54 0.52 -1.26 0.19 118.94 119.92 1k59 s TRP 89 Ca 0.36 -0.10 -0.21 0.00 0.02 0.00 0.00 56.10 56.17 1k59 s TRP 89 Cb 0.21 -1.51 -0.12 0.00 -1.15 0.00 0.00 33.47 30.90 1k59 s TRP 89 CO 0.42 0.41 0.51 -2.30 0.02 0.00 0.00 176.95 176.01 1k59 n PRO 90 N 1.01 0.54 -2.58 4.98 -0.02 -1.26 -4.49 135.00 133.18 1k59 n PRO 90 Ca -0.14 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 1k59 n PRO 90 Cb 0.52 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.44 1k59 n PRO 90 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1k59 s PRO 91 N -1.64 4.67 -0.27 0.52 0.02 -1.26 -5.14 135.00 131.90 1k59 s PRO 91 Ca 0.64 1.66 -0.13 0.00 0.02 0.00 0.00 61.00 63.18 1k59 s PRO 91 Cb -0.57 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 30.64 1k59 s PRO 91 CO 0.58 0.21 0.30 0.00 -0.33 0.00 0.00 177.00 177.76 1k59 s GLN 93 N 1.90 4.10 0.08 0.00 -0.21 -1.26 -4.87 119.66 119.40 1k59 s GLN 93 Ca 0.12 -0.13 0.10 0.00 0.02 0.00 0.00 55.36 55.47 1k59 s GLN 93 Cb -0.16 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 1k59 s GLN 93 CO 0.10 0.03 -0.26 0.71 -2.12 0.00 0.00 175.29 173.76 1k59 s TYR 94 N 1.13 2.34 -0.12 0.91 2.02 -1.26 0.62 117.35 122.98 1k59 s TYR 94 Ca 0.11 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1k59 s TYR 94 Cb -0.14 -1.34 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 1k59 s TYR 94 CO 0.05 0.23 -0.09 1.03 -1.57 0.00 0.00 175.55 175.21 1k59 s ARG 95 N -1.62 3.33 -0.09 -0.62 0.52 0.02 -4.71 118.95 115.79 1k59 s ARG 95 Ca 0.13 -0.60 -0.08 0.00 -0.52 0.00 0.00 55.73 54.66 1k59 s ARG 95 Cb -0.10 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.61 1k59 s ARG 95 CO 0.04 0.33 0.19 0.00 0.02 0.00 0.00 175.30 175.88 1k59 s ALA 96 N 0.08 3.85 -0.15 2.13 0.00 -1.26 -1.41 121.76 125.00 1k59 s ALA 96 Ca -0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 1k59 s ALA 96 Cb -0.14 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 20.98 1k59 s ALA 96 CO 0.04 0.60 -0.01 0.99 0.00 0.00 0.00 175.76 177.37 1k59 s THR 97 N -1.05 0.74 0.19 0.00 2.01 -0.59 -4.79 115.64 112.15 1k59 s THR 97 Ca 0.17 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 61.58 1k59 s THR 97 Cb -0.13 -1.01 -0.08 0.00 0.01 0.00 0.00 72.50 71.29 1k59 s THR 97 CO 0.06 0.06 0.66 0.00 -0.69 0.00 0.00 174.62 174.71 1k59 s ALA 98 N 1.79 3.48 0.27 7.40 0.00 -1.26 -1.18 121.76 132.26 1k59 s ALA 98 Ca 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.96 1k59 s ALA 98 Cb -0.15 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1k59 s ALA 98 CO -0.07 0.38 0.41 0.20 0.00 0.00 0.00 175.76 176.68 1k59 s GLY 99 N -1.67 1.07 -0.25 0.00 0.00 -0.11 -4.99 107.32 101.37 1k59 s GLY 99 Ca 0.41 -1.28 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 1k59 s GLY 99 CO 0.20 -0.92 0.28 -0.12 0.00 0.00 0.00 173.10 172.55 1k59 s PHE 100 N -3.68 -0.46 0.24 1.90 5.36 -1.26 -1.07 117.98 119.01 1k59 s PHE 100 Ca 0.29 0.11 -0.21 0.00 -0.96 0.00 0.00 56.93 56.16 1k59 s PHE 100 Cb 0.01 -0.35 0.07 0.00 -0.34 0.00 0.00 43.02 42.40 1k59 s PHE 100 CO 0.14 -0.79 0.94 -0.98 -1.46 0.00 0.00 175.22 173.07 1k59 s ARG 101 N 2.38 1.57 0.70 10.12 1.70 -0.82 -4.86 118.95 129.75 1k59 s ARG 101 Ca 0.09 -0.99 -0.11 0.00 -0.47 0.00 0.00 55.73 54.25 1k59 s ARG 101 Cb -0.15 0.46 0.01 0.00 -0.57 0.00 0.00 34.95 34.70 1k59 s ARG 101 CO -0.24 -0.73 1.06 0.54 -1.08 0.00 0.00 175.30 174.86 1k59 s ASN 102 N -3.22 5.33 0.25 -2.89 4.22 -1.26 -0.84 114.94 116.53 1k59 s ASN 102 Ca 0.18 1.52 0.09 0.00 -2.14 0.00 0.00 52.86 52.51 1k59 s ASN 102 Cb -0.03 -2.39 -0.05 0.00 1.28 0.00 0.00 41.25 40.06 1k59 s ASN 102 CO 0.07 -1.46 -0.15 0.68 -2.04 0.00 0.00 177.10 174.19 1k59 s VAL 103 N -3.09 2.00 -0.13 3.54 -7.23 -1.26 -4.91 120.40 109.32 1k59 s VAL 103 Ca 0.58 -2.27 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 1k59 s VAL 103 Cb -0.14 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.59 1k59 s VAL 103 CO 0.55 -0.47 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.99 1k59 s VAL 104 N -2.80 2.54 0.24 1.32 1.01 -1.26 -0.34 120.40 121.11 1k59 s VAL 104 Ca 0.26 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1k59 s VAL 104 Cb -0.01 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1k59 s VAL 104 CO 0.11 0.54 0.11 0.68 0.00 0.00 0.00 175.10 176.53 1k59 s VAL 105 N 0.49 0.36 -0.10 2.92 -7.23 -0.30 -1.57 120.40 114.97 1k59 s VAL 105 Ca -0.12 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.06 1k59 s VAL 105 Cb -0.16 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1k59 s VAL 105 CO 0.05 0.00 -0.11 0.00 -0.31 0.00 0.00 175.10 174.72 1k59 s ALA 106 N -3.87 2.73 0.03 1.32 0.00 0.13 -0.90 121.76 121.18 1k59 s ALA 106 Ca 0.38 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.47 1k59 s ALA 106 Cb 0.07 -1.19 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1k59 s ALA 106 CO 0.13 0.38 -0.03 0.00 0.00 0.00 0.00 175.76 176.24 1k59 s GLU 108 N -1.71 -0.05 -1.43 0.00 2.12 0.15 -4.84 118.70 112.94 1k59 s GLU 108 Ca 0.20 0.32 -0.06 0.00 0.36 0.00 0.00 54.97 55.79 1k59 s GLU 108 Cb -0.11 -0.44 0.04 0.00 0.26 0.00 0.00 34.13 33.87 1k59 s GLU 108 CO 0.11 -0.28 0.75 0.09 -0.54 0.00 0.00 175.26 175.39 1k59 n ASN 109 N 4.98 -2.35 -0.32 -1.70 3.02 -1.26 -1.54 115.26 116.08 1k59 n ASN 109 Ca -0.10 -0.85 -0.04 0.00 -0.03 0.00 0.00 54.58 53.55 1k59 n ASN 109 Cb 0.50 -3.72 -0.02 0.00 -0.61 0.00 0.00 39.78 35.93 1k59 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k59 n GLY 110 N -1.68 0.62 3.13 7.41 0.00 -1.26 -5.01 105.19 108.41 1k59 n GLY 110 Ca -0.16 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1k59 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k59 s LEU 111 N -0.96 2.05 0.10 0.99 1.43 -0.59 -4.82 118.68 116.88 1k59 s LEU 111 Ca 0.00 -0.30 -0.31 0.00 -1.03 0.00 0.00 54.13 52.49 1k59 s LEU 111 Cb 0.00 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.37 1k59 s LEU 111 CO 0.00 0.17 1.37 -2.16 0.23 0.00 0.00 176.35 175.96 1k59 s PRO 112 N -0.47 4.33 0.00 1.29 0.04 -1.26 -0.67 135.00 138.26 1k59 s PRO 112 Ca 0.06 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1k59 s PRO 112 Cb -0.06 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1k59 s PRO 112 CO -0.00 -0.43 0.23 1.33 0.04 0.00 0.00 177.00 178.16 1k59 n VAL 113 N 4.02 0.00 -3.65 -0.36 0.24 -0.26 -4.31 118.33 114.02 1k59 n VAL 113 Ca 0.11 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 1k59 n VAL 113 Cb 0.43 1.34 -0.08 0.00 -1.47 0.00 0.00 33.84 34.07 1k59 n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1k59 s HIS 114 N -0.12 -0.69 -0.12 6.34 5.65 -1.18 -4.73 115.29 120.44 1k59 s HIS 114 Ca 0.00 1.64 -0.00 0.00 0.25 0.00 0.00 55.06 56.95 1k59 s HIS 114 Cb 0.00 0.25 -0.02 0.00 -1.18 0.00 0.00 32.58 31.63 1k59 s HIS 114 CO 0.00 -0.36 -0.12 -1.17 -0.65 0.00 0.00 174.74 172.43 1k59 s LEU 115 N 0.18 2.77 -0.61 8.88 2.96 -1.26 -0.69 118.68 130.91 1k59 s LEU 115 Ca -0.01 -0.29 -0.25 0.00 -0.22 0.00 0.00 54.13 53.36 1k59 s LEU 115 Cb -0.04 -1.62 0.05 0.00 0.50 0.00 0.00 46.19 45.07 1k59 s LEU 115 CO 0.02 0.19 1.02 -0.62 -1.32 0.00 0.00 176.35 175.63 1k59 s ASP 116 N 0.21 6.28 0.00 3.68 2.15 -0.61 -4.87 116.67 123.51 1k59 s ASP 116 Ca -0.08 -0.48 0.30 0.00 0.43 0.00 0.00 52.55 52.73 1k59 s ASP 116 Cb -0.15 -2.46 1.57 0.00 -0.30 0.00 0.00 42.92 41.58 1k59 s ASP 116 CO 0.05 -1.39 2.06 0.61 -0.17 0.00 0.00 175.17 176.34 1k59 n GLY 117 N 5.20 -1.10 0.29 2.66 0.00 -1.26 -3.91 105.19 107.06 1k59 n GLY 117 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1k59 n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1k59 h SER 118 N 0.17 0.57 0.06 1.61 4.64 -1.95 -1.72 113.55 116.92 1k59 h SER 118 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1k59 h SER 118 Cb 0.22 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1k59 h SER 118 CO 0.00 0.56 0.00 2.30 -0.87 0.00 0.00 176.83 178.82 1k59 n ILE 119 N -4.33 0.13 0.36 0.95 -5.35 -1.25 -2.73 119.36 107.13 1k59 n ILE 119 Ca 0.03 0.03 0.05 0.00 -0.27 0.00 0.00 62.75 62.59 1k59 n ILE 119 Cb 0.19 -0.79 -0.06 0.00 -1.74 0.00 0.00 39.64 37.24 1k59 n ILE 119 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1k59 n PHE 120 N -1.06 0.00 -3.06 4.28 3.72 -0.65 -4.83 117.46 115.86 1k59 n PHE 120 Ca 0.10 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.06 1k59 n PHE 120 Cb 0.07 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 1k59 n PHE 120 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1k59 s ARG 121 N -2.05 3.45 -0.82 -1.08 1.70 -1.11 -4.99 118.95 114.06 1k59 s ARG 121 Ca 0.02 -1.78 -0.25 0.00 -0.47 0.00 0.00 55.73 53.25 1k59 s ARG 121 Cb 0.07 -4.61 0.02 0.00 -0.57 0.00 0.00 34.95 29.86 1k59 s ARG 121 CO 0.39 -1.61 1.52 -0.98 -1.08 0.00 0.00 175.30 173.55 1k59 s ARG 122 N 2.15 3.12 0.00 3.89 3.03 -1.26 -5.02 118.95 124.86 1k59 s ARG 122 Ca 0.24 -0.34 0.24 0.00 2.03 0.00 0.00 55.73 57.89 1k59 s ARG 122 Cb -0.11 -4.67 1.45 0.00 -1.03 0.00 0.00 34.95 30.59 1k59 s ARG 122 CO -0.05 -2.43 1.81 -2.30 -1.13 0.00 0.00 175.30 171.20