#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h52 n ASN 3 N 0.00 4.07 0.11 -1.12 3.02 -1.26 -4.43 115.26 115.65 1h52 n ASN 3 Ca 0.00 -3.34 -0.02 0.00 -0.03 0.00 0.00 54.58 51.18 1h52 n ASN 3 Cb 0.00 -0.78 0.19 0.00 -0.61 0.00 0.00 39.78 38.58 1h52 n ASN 3 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h52 h SER 4 N 1.54 0.16 1.09 6.41 4.64 -2.02 -0.94 113.55 124.42 1h52 h SER 4 Ca 0.46 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.55 1h52 h SER 4 Cb 2.54 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 64.56 1h52 h SER 4 CO 0.90 0.66 -0.71 0.03 -0.87 0.00 0.00 176.83 176.83 1h52 h ARG 5 N 0.11 0.00 0.02 4.77 3.08 -1.96 0.17 114.38 120.58 1h52 h ARG 5 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h52 h ARG 5 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1h52 h ARG 5 CO 0.08 0.71 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.76 1h52 h TYR 6 N 0.00 -0.03 -0.12 3.04 3.20 -1.71 0.18 116.97 121.54 1h52 h TYR 6 Ca -0.01 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1h52 h TYR 6 Cb 1.45 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 1h52 h TYR 6 CO 0.00 0.49 -0.12 1.79 -1.64 0.00 0.00 178.16 178.68 1h52 h THR 7 N -0.56 1.16 -0.24 1.81 1.35 -1.20 0.13 112.91 115.35 1h52 h THR 7 Ca -0.00 -0.69 -0.15 0.00 -0.55 0.00 0.00 66.41 65.02 1h52 h THR 7 Cb 0.53 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1h52 h THR 7 CO 0.01 0.21 -0.46 -0.74 -0.25 0.00 0.00 175.52 174.29 1h52 h HIS 8 N 0.18 0.74 -0.21 4.73 -0.00 -0.80 -1.58 115.15 118.20 1h52 h HIS 8 Ca 0.04 -0.23 0.01 0.00 -0.00 0.00 0.00 60.37 60.18 1h52 h HIS 8 Cb 0.33 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1h52 h HIS 8 CO 0.00 0.96 0.13 0.35 -0.00 0.00 0.00 177.93 179.37 1h52 h PHE 9 N 0.49 0.25 -0.72 5.26 3.57 0.12 -1.96 116.94 123.95 1h52 h PHE 9 Ca 0.03 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1h52 h PHE 9 Cb 0.99 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1h52 h PHE 9 CO 0.04 0.15 0.47 -0.07 -2.23 0.00 0.00 178.31 176.68 1h52 h LEU 10 N 0.27 0.71 -0.65 0.59 3.38 -0.91 0.19 115.31 118.90 1h52 h LEU 10 Ca 0.08 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1h52 h LEU 10 Cb -0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1h52 h LEU 10 CO -0.03 0.48 0.14 0.74 0.09 0.00 0.00 178.44 179.86 1h52 h THR 11 N 0.82 1.26 0.00 0.22 2.02 -0.56 -1.48 112.91 115.19 1h52 h THR 11 Ca 0.30 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 1h52 h THR 11 Cb 0.14 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1h52 h THR 11 CO -0.09 0.36 -1.14 1.56 0.37 0.00 0.00 175.52 176.59 1h52 h GLN 12 N 0.97 0.00 0.00 6.66 4.20 -1.08 -3.43 115.11 122.44 1h52 h GLN 12 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1h52 h GLN 12 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1h52 h GLN 12 CO 0.01 0.12 0.00 0.72 -0.67 0.00 0.00 178.83 179.01 1h52 n HIS 13 N -2.78 0.00 -4.71 2.96 8.25 0.63 -4.63 115.22 114.94 1h52 n HIS 13 Ca -0.04 -0.19 -0.26 0.00 -0.26 0.00 0.00 57.72 56.97 1h52 n HIS 13 Cb 0.67 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.59 1h52 n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1h52 s TYR 14 N -0.39 1.66 -0.31 4.41 5.04 -0.56 0.40 117.35 127.60 1h52 s TYR 14 Ca 0.00 -0.62 0.00 0.00 -2.44 0.00 0.00 57.07 54.01 1h52 s TYR 14 Cb 0.00 -1.18 0.14 0.00 0.35 0.00 0.00 41.96 41.27 1h52 s TYR 14 CO 0.00 -0.30 0.31 0.34 -1.34 0.00 0.00 175.55 174.56 1h52 s ASP 15 N 0.58 1.68 0.00 4.32 2.15 -0.01 -4.79 116.67 120.60 1h52 s ASP 15 Ca -0.15 -1.04 -0.01 0.00 0.43 0.00 0.00 52.55 51.78 1h52 s ASP 15 Cb -0.16 0.45 -0.00 0.00 -0.30 0.00 0.00 42.92 42.91 1h52 s ASP 15 CO 0.05 -0.36 1.01 0.00 -0.17 0.00 0.00 175.17 175.71 1h52 h ALA 16 N 7.92 -0.25 -2.89 3.66 0.00 -1.78 -3.36 119.26 122.55 1h52 h ALA 16 Ca -0.08 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.22 1h52 h ALA 16 Cb 1.06 0.77 -0.41 0.00 0.00 0.00 0.00 17.79 19.22 1h52 h ALA 16 CO 0.30 -0.26 -0.71 0.15 0.00 0.00 0.00 179.25 178.73 1h52 s LYS 17 N -3.07 1.82 0.73 0.00 -0.14 -1.26 -1.78 119.74 116.04 1h52 s LYS 17 Ca -0.00 -2.74 -0.11 0.00 -1.36 0.00 0.00 55.97 51.75 1h52 s LYS 17 Cb 0.00 -2.69 0.03 0.00 -1.68 0.00 0.00 37.83 33.49 1h52 s LYS 17 CO 0.02 -1.28 1.09 -2.14 -0.76 0.00 0.00 175.35 172.27 1h52 s PRO 18 N -0.67 2.52 -0.13 -1.68 0.02 -1.26 -5.00 135.00 128.79 1h52 s PRO 18 Ca 0.25 1.15 -0.10 0.00 0.02 0.00 0.00 61.00 62.32 1h52 s PRO 18 Cb -0.07 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 1h52 s PRO 18 CO -0.14 -1.44 -0.20 0.00 -0.33 0.00 0.00 177.00 174.89 1h52 n GLN 19 N -3.24 0.40 -4.78 5.54 10.64 -1.26 -4.95 117.38 119.72 1h52 n GLN 19 Ca 0.09 0.37 -0.32 0.00 -1.83 0.00 0.00 57.00 55.30 1h52 n GLN 19 Cb 0.53 -1.43 -0.13 0.00 -0.86 0.00 0.00 30.24 28.35 1h52 n GLN 19 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1h52 s GLY 20 N -4.17 1.57 -0.43 2.61 0.00 -1.26 -5.02 107.32 100.61 1h52 s GLY 20 Ca -0.16 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.56 1h52 s GLY 20 CO 0.24 -0.86 1.39 0.54 0.00 0.00 0.00 173.10 174.42 1h52 n ARG 21 N 2.03 3.34 -2.66 2.90 1.74 -1.26 -4.62 116.66 118.14 1h52 n ARG 21 Ca -0.17 -4.03 -0.23 0.00 -0.77 0.00 0.00 57.85 52.65 1h52 n ARG 21 Cb 0.52 -2.27 0.10 0.00 -1.02 0.00 0.00 32.46 29.79 1h52 n ARG 21 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1h52 s ASP 22 N -3.07 4.47 0.25 0.55 3.84 -1.26 -4.62 116.67 116.82 1h52 s ASP 22 Ca 0.53 -0.44 -0.07 0.00 -0.00 0.00 0.00 52.55 52.57 1h52 s ASP 22 Cb 0.43 0.03 0.43 0.00 -1.38 0.00 0.00 42.92 42.43 1h52 s ASP 22 CO -0.05 -1.78 1.63 0.44 -0.00 0.00 0.00 175.17 175.41 1h52 h ASP 23 N -0.42 -0.38 -0.66 2.11 5.19 -1.86 0.94 116.42 121.35 1h52 h ASP 23 Ca -0.35 0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1h52 h ASP 23 Cb 1.27 0.36 -0.03 0.00 0.18 0.00 0.00 39.33 41.11 1h52 h ASP 23 CO 0.40 -0.19 0.37 0.03 -3.12 0.00 0.00 179.24 176.74 1h52 h ARG 24 N 0.09 0.93 -0.07 3.56 3.08 -1.95 -1.73 114.38 118.30 1h52 h ARG 24 Ca 0.41 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.37 1h52 h ARG 24 Cb 0.72 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1h52 h ARG 24 CO -0.68 0.68 0.02 -0.92 -1.07 0.00 0.00 179.97 178.00 1h52 h TYR 25 N 0.94 0.04 -0.25 3.04 3.20 -1.08 -1.43 116.97 121.44 1h52 h TYR 25 Ca 0.24 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.17 1h52 h TYR 25 Cb 0.02 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1h52 h TYR 25 CO 0.01 0.02 -0.09 0.00 -1.64 0.00 0.00 178.16 176.46 1h52 h GLU 27 N -0.05 1.26 0.02 0.00 5.08 -1.16 0.17 114.58 119.91 1h52 h GLU 27 Ca 0.13 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1h52 h GLU 27 Cb 0.24 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1h52 h GLU 27 CO -0.28 0.83 -0.01 1.03 -1.00 0.00 0.00 179.01 179.58 1h52 h SER 28 N 1.30 -0.03 0.39 1.42 0.87 -0.78 -3.01 113.55 113.71 1h52 h SER 28 Ca 0.37 -0.48 -0.13 0.00 -1.23 0.00 0.00 61.79 60.33 1h52 h SER 28 Cb -0.09 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1h52 h SER 28 CO -0.10 0.47 -0.55 -0.29 -0.53 0.00 0.00 176.83 175.83 1h52 h ILE 29 N -0.53 1.37 -0.17 2.23 2.10 -0.78 -2.28 117.51 119.46 1h52 h ILE 29 Ca -0.00 -1.86 -0.06 0.00 1.08 0.00 0.00 64.86 64.02 1h52 h ILE 29 Cb 0.50 1.94 -0.01 0.00 -1.09 0.00 0.00 36.82 38.16 1h52 h ILE 29 CO 0.01 0.54 -0.14 0.24 -1.08 0.00 0.00 178.15 177.72 1h52 h MET 30 N 0.13 0.27 0.03 2.19 2.86 -0.73 -0.88 114.93 118.82 1h52 h MET 30 Ca -0.00 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1h52 h MET 30 Cb 1.01 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.63 1h52 h MET 30 CO 0.08 0.43 -0.02 0.00 1.06 0.00 0.00 176.91 178.46 1h52 h ARG 31 N 0.26 -0.04 -0.63 1.72 3.08 -1.35 -0.87 114.38 116.55 1h52 h ARG 31 Ca 0.05 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.20 1h52 h ARG 31 Cb 0.42 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 1h52 h ARG 31 CO 0.02 0.54 0.42 0.00 -1.07 0.00 0.00 179.97 179.88 1h52 h ARG 32 N -0.66 0.43 -0.57 0.04 3.08 -1.23 -0.44 114.38 115.04 1h52 h ARG 32 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1h52 h ARG 32 Cb 0.60 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1h52 h ARG 32 CO 0.01 0.29 0.00 0.54 -1.07 0.00 0.00 179.97 179.73 1h52 n ARG 33 N -4.47 2.25 -2.27 0.04 5.12 -0.35 -4.91 116.66 112.07 1h52 n ARG 33 Ca 0.10 -1.29 -0.19 0.00 -1.93 0.00 0.00 57.85 54.54 1h52 n ARG 33 Cb 0.37 -1.55 -0.02 0.00 -1.16 0.00 0.00 32.46 30.11 1h52 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h52 n GLY 34 N 0.65 -0.15 1.91 -0.13 0.00 -0.17 -4.85 105.19 102.44 1h52 n GLY 34 Ca 0.12 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 1h52 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h52 n LEU 35 N -2.73 5.99 -0.01 0.99 4.32 -0.34 -4.49 117.00 120.73 1h52 n LEU 35 Ca -0.23 -3.94 0.01 0.00 -0.02 0.00 0.00 56.01 51.83 1h52 n LEU 35 Cb 0.67 -0.76 0.01 0.00 -1.62 0.00 0.00 43.42 41.72 1h52 n LEU 35 CO 0.27 1.32 0.47 0.35 -1.22 0.00 0.00 177.39 178.59 1h52 n THR 36 N -1.05 0.93 -3.30 -5.08 -2.24 -1.25 -2.06 114.28 100.24 1h52 n THR 36 Ca 0.51 -0.96 -0.20 0.00 -2.27 0.00 0.00 64.05 61.13 1h52 n THR 36 Cb 1.18 0.51 -0.08 0.00 -2.10 0.00 0.00 70.33 69.84 1h52 n THR 36 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h52 s SER 37 N -1.01 1.08 0.78 3.42 1.04 -1.26 -3.39 113.70 114.36 1h52 s SER 37 Ca 0.02 -2.15 -0.12 0.00 0.48 0.00 0.00 55.95 54.18 1h52 s SER 37 Cb 0.02 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.52 1h52 s SER 37 CO 0.00 -0.21 1.13 -2.16 0.98 0.00 0.00 173.24 172.99 1h52 s PRO 38 N 0.87 2.26 0.06 4.02 0.04 -1.26 -5.08 135.00 135.90 1h52 s PRO 38 Ca 0.24 0.35 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1h52 s PRO 38 Cb -0.08 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1h52 s PRO 38 CO -0.08 -1.43 1.83 0.00 0.04 0.00 0.00 177.00 177.36 1h52 s LYS 40 N 3.57 4.59 0.13 0.00 2.20 -0.88 -4.90 119.74 124.45 1h52 s LYS 40 Ca 0.82 1.87 -0.13 0.00 -0.36 0.00 0.00 55.97 58.17 1h52 s LYS 40 Cb -0.42 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 1h52 s LYS 40 CO 0.37 0.14 1.46 0.22 -0.36 0.00 0.00 175.35 177.18 1h52 h ASP 41 N 3.81 0.89 -3.51 1.43 1.82 -1.92 -3.41 116.42 115.53 1h52 h ASP 41 Ca -0.47 -0.45 -0.21 0.00 -0.39 0.00 0.00 57.03 55.51 1h52 h ASP 41 Cb 1.21 -0.25 -0.29 0.00 0.68 0.00 0.00 39.33 40.68 1h52 h ASP 41 CO 0.67 1.16 -0.53 -0.51 -1.61 0.00 0.00 179.24 178.42 1h52 s ILE 42 N -4.43 -0.03 -0.13 2.25 2.07 -1.26 0.40 121.20 120.06 1h52 s ILE 42 Ca -0.12 0.11 -0.09 0.00 -1.41 0.00 0.00 60.65 59.14 1h52 s ILE 42 Cb 0.10 -0.30 0.04 0.00 0.13 0.00 0.00 42.46 42.43 1h52 s ILE 42 CO 0.86 0.05 0.32 0.21 -1.91 0.00 0.00 174.94 174.46 1h52 s ASN 43 N 0.88 -0.35 -0.08 4.50 2.47 -0.73 -5.00 114.94 116.63 1h52 s ASN 43 Ca -0.06 0.66 0.03 0.00 0.42 0.00 0.00 52.86 53.90 1h52 s ASN 43 Cb -0.08 0.62 -0.02 0.00 -1.45 0.00 0.00 41.25 40.32 1h52 s ASN 43 CO -0.05 -0.14 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.15 1h52 s THR 44 N 0.64 2.89 -0.10 -5.21 2.01 -1.26 -0.40 115.64 114.20 1h52 s THR 44 Ca -0.04 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 1h52 s THR 44 Cb -0.05 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1h52 s THR 44 CO -0.04 0.56 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.06 1h52 s PHE 45 N -0.21 3.04 -0.12 4.92 0.08 -0.55 -4.42 117.98 120.73 1h52 s PHE 45 Ca 0.00 -0.01 -0.08 0.00 0.12 0.00 0.00 56.93 56.96 1h52 s PHE 45 Cb -0.13 -1.82 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 1h52 s PHE 45 CO 0.03 0.27 0.17 0.42 -0.10 0.00 0.00 175.22 176.01 1h52 s ILE 46 N -0.47 5.45 0.45 0.64 1.01 0.16 -1.49 121.20 126.95 1h52 s ILE 46 Ca 0.08 0.27 0.07 0.00 0.00 0.00 0.00 60.65 61.07 1h52 s ILE 46 Cb -0.12 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1h52 s ILE 46 CO 0.02 0.59 0.32 -1.00 0.00 0.00 0.00 174.94 174.88 1h52 s HIS 47 N -0.85 2.43 0.00 3.97 3.76 -0.53 -0.83 115.29 123.23 1h52 s HIS 47 Ca 0.15 -0.60 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 1h52 s HIS 47 Cb -0.12 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.52 1h52 s HIS 47 CO 0.04 -0.11 0.00 0.41 -0.85 0.00 0.00 174.74 174.23 1h52 n GLY 48 N -1.50 -0.76 3.74 -2.22 0.00 -0.73 -4.46 105.19 99.26 1h52 n GLY 48 Ca 0.01 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 1h52 n GLY 48 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h52 s ASN 49 N -4.00 7.42 0.37 1.61 0.01 -1.26 -4.46 114.94 114.64 1h52 s ASN 49 Ca 0.00 1.69 0.09 0.00 -0.71 0.00 0.00 52.86 53.93 1h52 s ASN 49 Cb 0.00 -2.54 0.73 0.00 0.41 0.00 0.00 41.25 39.84 1h52 s ASN 49 CO 0.00 0.03 1.88 0.50 -1.51 0.00 0.00 177.10 178.00 1h52 h LYS 50 N 5.22 0.25 -0.65 -0.60 3.64 -1.99 -2.78 116.57 119.67 1h52 h LYS 50 Ca -0.44 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1h52 h LYS 50 Cb 1.21 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 1h52 h LYS 50 CO 0.70 0.42 0.43 0.07 -2.27 0.00 0.00 179.45 178.80 1h52 h ARG 51 N 0.24 0.55 -0.61 1.90 0.11 -2.00 -1.15 114.38 113.42 1h52 h ARG 51 Ca 0.05 -0.03 -0.09 0.00 0.10 0.00 0.00 59.98 60.00 1h52 h ARG 51 Cb 0.43 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 31.37 1h52 h ARG 51 CO 0.03 0.37 0.01 0.77 0.10 0.00 0.00 179.97 181.24 1h52 h SER 52 N 0.57 1.05 -0.37 0.08 0.02 -1.90 -1.57 113.55 111.42 1h52 h SER 52 Ca 0.29 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1h52 h SER 52 Cb 0.39 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1h52 h SER 52 CO -0.09 1.09 -0.17 0.40 -1.14 0.00 0.00 176.83 176.92 1h52 h ILE 53 N 0.97 1.28 -0.92 3.27 2.04 -1.34 -2.79 117.51 120.02 1h52 h ILE 53 Ca 0.17 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 1h52 h ILE 53 Cb 0.55 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1h52 h ILE 53 CO 0.03 0.43 0.55 0.50 0.00 0.00 0.00 178.15 179.66 1h52 h LYS 54 N 0.56 1.25 -0.09 2.37 3.64 -1.30 -1.73 116.57 121.27 1h52 h LYS 54 Ca 0.08 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1h52 h LYS 54 Cb 0.72 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1h52 h LYS 54 CO 0.05 0.88 0.21 0.00 -2.27 0.00 0.00 179.45 178.32 1h52 h ALA 55 N 1.34 1.47 -0.02 5.00 0.00 -1.01 -1.58 119.26 124.46 1h52 h ALA 55 Ca 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1h52 h ALA 55 Cb -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h52 h ALA 55 CO -0.06 -0.26 0.05 0.82 0.00 0.00 0.00 179.25 179.80 1h52 h ILE 56 N 0.00 0.22 -0.01 0.00 2.04 -1.24 -0.03 117.51 118.49 1h52 h ILE 56 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1h52 h ILE 56 Cb 0.47 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1h52 h ILE 56 CO -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.00 1h52 n GLU 58 N -0.70 0.63 0.08 0.00 1.02 -0.02 -4.95 120.64 116.70 1h52 n GLU 58 Ca 0.14 -3.31 -0.09 0.00 -0.02 0.00 0.00 57.16 53.88 1h52 n GLU 58 Cb 0.31 0.04 -0.01 0.00 -0.02 0.00 0.00 31.44 31.76 1h52 n GLU 58 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 1h52 h ASN 59 N 0.36 0.27 0.00 1.62 -0.73 -1.83 -3.16 115.58 112.11 1h52 h ASN 59 Ca -0.31 -0.22 0.00 0.00 1.87 0.00 0.00 56.30 57.64 1h52 h ASN 59 Cb 1.28 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 39.78 1h52 h ASN 59 CO 0.47 1.02 0.00 2.29 -0.37 0.00 0.00 177.43 180.84 1h52 n LYS 60 N -3.67 0.21 -1.16 6.67 2.85 -1.26 -3.38 118.16 118.42 1h52 n LYS 60 Ca -0.04 0.00 -0.05 0.00 -1.05 0.00 0.00 58.31 57.18 1h52 n LYS 60 Cb 0.81 -1.36 -0.02 0.00 -0.65 0.00 0.00 35.03 33.80 1h52 n LYS 60 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1h52 n ASN 61 N -0.86 -0.82 -3.53 -5.58 5.15 -1.24 -4.96 115.26 103.41 1h52 n ASN 61 Ca 0.04 -1.59 -0.16 0.00 -0.60 0.00 0.00 54.58 52.27 1h52 n ASN 61 Cb 0.02 0.28 -0.06 0.00 -0.53 0.00 0.00 39.78 39.49 1h52 n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1h52 s GLY 62 N -0.77 -0.52 0.11 8.20 0.00 -1.19 -2.39 107.32 110.76 1h52 s GLY 62 Ca 0.01 1.47 0.07 0.00 0.00 0.00 0.00 44.72 46.27 1h52 s GLY 62 CO -0.02 0.98 -0.18 -1.31 0.00 0.00 0.00 173.10 172.58 1h52 s ASN 63 N -1.16 2.26 0.72 1.64 0.02 -0.02 -4.69 114.94 113.71 1h52 s ASN 63 Ca -0.09 -0.72 -0.16 0.00 -1.02 0.00 0.00 52.86 50.88 1h52 s ASN 63 Cb -0.00 -0.11 0.03 0.00 0.02 0.00 0.00 41.25 41.19 1h52 s ASN 63 CO 0.08 -0.02 1.23 -2.84 0.02 0.00 0.00 177.10 175.57 1h52 s PRO 64 N -2.13 2.16 -0.10 -0.60 0.02 -1.26 -1.42 135.00 131.66 1h52 s PRO 64 Ca 0.06 1.84 -0.05 0.00 0.02 0.00 0.00 61.00 62.87 1h52 s PRO 64 Cb -0.08 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.65 1h52 s PRO 64 CO 0.04 -1.84 0.23 -1.58 -0.33 0.00 0.00 177.00 173.52 1h52 s HIS 65 N -1.85 -0.30 0.00 6.54 2.46 0.83 -4.64 115.29 118.33 1h52 s HIS 65 Ca 0.76 0.73 0.00 0.00 0.47 0.00 0.00 55.06 57.03 1h52 s HIS 65 Cb -0.31 0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.17 1h52 s HIS 65 CO 0.45 -0.21 0.00 0.54 -2.47 0.00 0.00 174.74 173.04 1h52 n ARG 66 N 4.10 0.00 -3.57 2.88 5.12 -1.26 -1.84 116.66 122.09 1h52 n ARG 66 Ca -0.24 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.27 1h52 n ARG 66 Cb 0.53 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.72 1h52 n ARG 66 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1h52 s GLU 67 N 0.00 3.05 -1.22 5.56 -1.05 -1.26 -4.62 118.70 119.15 1h52 s GLU 67 Ca 0.00 -0.94 -0.03 0.00 -0.15 0.00 0.00 54.97 53.85 1h52 s GLU 67 Cb 0.00 -3.76 0.02 0.00 -0.44 0.00 0.00 34.13 29.95 1h52 s GLU 67 CO 0.00 -0.62 0.20 0.27 0.95 0.00 0.00 175.26 176.06 1h52 n ASN 68 N 5.04 -4.25 -4.66 0.83 0.23 -1.25 -4.99 115.26 106.21 1h52 n ASN 68 Ca -0.12 -0.03 -0.24 0.00 -0.53 0.00 0.00 54.58 53.66 1h52 n ASN 68 Cb 0.47 -3.55 -0.08 0.00 -2.08 0.00 0.00 39.78 34.54 1h52 n ASN 68 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1h52 s LEU 69 N -5.99 3.05 -0.05 -4.53 1.02 -0.76 -4.74 118.68 106.68 1h52 s LEU 69 Ca 0.14 -0.97 0.03 0.00 0.02 0.00 0.00 54.13 53.34 1h52 s LEU 69 Cb -0.07 -1.42 0.01 0.00 0.02 0.00 0.00 46.19 44.73 1h52 s LEU 69 CO 0.17 -0.29 -0.11 -0.60 0.02 0.00 0.00 176.35 175.53 1h52 s ARG 70 N -3.76 1.39 -0.13 1.70 6.06 0.14 -0.12 118.95 124.22 1h52 s ARG 70 Ca 0.36 -0.38 0.01 0.00 -2.50 0.00 0.00 55.73 53.22 1h52 s ARG 70 Cb 0.00 -1.21 -0.00 0.00 0.06 0.00 0.00 34.95 33.80 1h52 s ARG 70 CO 0.20 0.08 -0.18 -1.50 -2.50 0.00 0.00 175.30 171.41 1h52 s ILE 71 N 0.42 2.50 0.60 4.11 2.07 -0.51 0.39 121.20 130.79 1h52 s ILE 71 Ca -0.09 -0.84 -0.18 0.00 -1.41 0.00 0.00 60.65 58.14 1h52 s ILE 71 Cb -0.13 -2.03 -0.03 0.00 0.13 0.00 0.00 42.46 40.41 1h52 s ILE 71 CO 0.02 0.53 1.14 -0.94 -1.91 0.00 0.00 174.94 173.79 1h52 s SER 72 N 0.61 5.33 0.01 4.50 1.04 -0.11 -0.84 113.70 124.23 1h52 s SER 72 Ca -0.10 2.17 -0.09 0.00 0.48 0.00 0.00 55.95 58.41 1h52 s SER 72 Cb -0.16 -2.58 -0.31 0.00 0.10 0.00 0.00 66.02 63.07 1h52 s SER 72 CO 0.03 -1.49 0.90 0.11 0.98 0.00 0.00 173.24 173.77 1h52 h LYS 73 N 0.67 0.38 -6.71 4.02 1.57 -1.82 -3.42 116.57 111.27 1h52 h LYS 73 Ca -0.49 -0.65 -0.50 0.00 -1.87 0.00 0.00 60.65 57.14 1h52 h LYS 73 Cb 1.27 0.24 0.01 0.00 0.08 0.00 0.00 32.23 33.82 1h52 h LYS 73 CO 0.55 1.28 -0.00 -1.54 -0.57 0.00 0.00 179.45 179.17 1h52 s SER 74 N -7.27 6.41 0.20 0.86 1.04 -1.26 -4.94 113.70 108.74 1h52 s SER 74 Ca -0.10 0.88 -0.06 0.00 0.48 0.00 0.00 55.95 57.15 1h52 s SER 74 Cb 0.06 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 63.90 1h52 s SER 74 CO 0.89 -0.36 0.46 -0.44 0.98 0.00 0.00 173.24 174.77 1h52 s SER 75 N -3.46 6.52 0.07 7.02 0.01 -1.26 -4.27 113.70 118.33 1h52 s SER 75 Ca 0.47 0.70 0.06 0.00 1.31 0.00 0.00 55.95 58.48 1h52 s SER 75 Cb -0.10 -2.14 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1h52 s SER 75 CO 0.34 -0.04 -0.15 -0.36 0.41 0.00 0.00 173.24 173.44 1h52 s PHE 76 N -1.80 1.32 0.27 2.43 0.08 0.29 -4.87 117.98 115.70 1h52 s PHE 76 Ca 0.43 -0.44 -0.30 0.00 0.12 0.00 0.00 56.93 56.75 1h52 s PHE 76 Cb -0.11 -0.75 -0.09 0.00 -0.57 0.00 0.00 43.02 41.50 1h52 s PHE 76 CO 0.25 0.08 1.08 -0.65 -0.10 0.00 0.00 175.22 175.88 1h52 s GLN 77 N -1.68 4.66 0.14 0.44 -1.52 -1.26 -2.06 119.66 118.38 1h52 s GLN 77 Ca 0.00 1.77 -0.06 0.00 -1.95 0.00 0.00 55.36 55.12 1h52 s GLN 77 Cb -0.10 -3.20 -0.02 0.00 -0.22 0.00 0.00 33.01 29.47 1h52 s GLN 77 CO 0.02 0.24 0.18 0.14 -0.25 0.00 0.00 175.29 175.63 1h52 s VAL 78 N -1.11 0.09 -0.10 1.09 -7.23 0.35 -1.46 120.40 112.03 1h52 s VAL 78 Ca 0.44 -1.55 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 1h52 s VAL 78 Cb -0.31 -1.83 0.04 0.00 0.56 0.00 0.00 36.38 34.84 1h52 s VAL 78 CO 0.40 -0.43 0.07 -0.89 -0.31 0.00 0.00 175.10 173.94 1h52 s THR 79 N -3.98 -0.06 -0.20 5.32 2.01 -0.56 -0.09 115.64 118.08 1h52 s THR 79 Ca 0.17 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 1h52 s THR 79 Cb 0.05 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 1h52 s THR 79 CO -0.01 -0.02 0.21 -0.89 -0.69 0.00 0.00 174.62 173.22 1h52 s THR 80 N 2.14 5.34 -0.37 -0.82 2.01 0.27 -1.47 115.64 122.74 1h52 s THR 80 Ca 0.04 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.27 1h52 s THR 80 Cb -0.14 -3.55 0.02 0.00 0.01 0.00 0.00 72.50 68.84 1h52 s THR 80 CO -0.06 0.37 0.20 0.00 -0.69 0.00 0.00 174.62 174.45 1h52 s LYS 82 N 1.56 3.81 0.36 0.00 2.20 -0.23 -1.77 119.74 125.68 1h52 s LYS 82 Ca 0.02 -0.40 -0.28 0.00 -0.36 0.00 0.00 55.97 54.96 1h52 s LYS 82 Cb -0.19 -3.52 -0.12 0.00 -1.51 0.00 0.00 37.83 32.50 1h52 s LYS 82 CO 0.07 -0.19 1.40 -0.11 -0.36 0.00 0.00 175.35 176.16 1h52 n LEU 83 N 5.00 4.26 -3.94 5.43 7.94 0.16 -0.96 117.00 134.90 1h52 n LEU 83 Ca -0.15 1.22 -0.26 0.00 -1.11 0.00 0.00 56.01 55.72 1h52 n LEU 83 Cb 0.52 -1.56 -0.17 0.00 0.53 0.00 0.00 43.42 42.74 1h52 n LEU 83 CO 0.32 -0.11 -0.45 -2.28 -1.11 0.00 0.00 177.39 173.76 1h52 s HIS 84 N -1.10 1.41 0.00 1.96 5.65 0.17 -4.84 115.29 118.54 1h52 s HIS 84 Ca 0.54 -0.63 0.00 0.00 0.25 0.00 0.00 55.06 55.22 1h52 s HIS 84 Cb -0.51 -1.13 0.00 0.00 -1.18 0.00 0.00 32.58 29.75 1h52 s HIS 84 CO 0.63 -0.41 0.00 0.41 -0.65 0.00 0.00 174.74 174.72 1h52 n GLY 85 N 4.50 2.37 0.00 1.59 0.00 -1.26 -4.16 105.19 108.23 1h52 n GLY 85 Ca -0.17 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.73 1h52 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h52 n GLY 86 N -0.49 0.63 1.02 -0.02 0.00 -1.26 -4.99 105.19 100.07 1h52 n GLY 86 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1h52 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h52 n SER 87 N -1.22 -0.25 -0.41 1.61 2.88 -1.26 -4.86 113.62 110.11 1h52 n SER 87 Ca 0.00 0.34 0.14 0.00 -1.33 0.00 0.00 58.87 58.02 1h52 n SER 87 Cb 0.00 -0.28 0.58 0.00 -0.75 0.00 0.00 64.21 63.76 1h52 n SER 87 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1h52 n PRO 88 N 0.34 1.57 -4.34 -1.46 -0.02 -1.26 -4.84 135.00 124.99 1h52 n PRO 88 Ca 0.06 -0.83 -0.26 0.00 -2.02 0.00 0.00 63.50 60.45 1h52 n PRO 88 Cb 0.06 -1.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.97 1h52 n PRO 88 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1h52 s TRP 89 N -1.99 2.54 0.47 6.00 0.52 -1.26 0.29 118.94 125.51 1h52 s TRP 89 Ca 0.39 -0.26 -0.22 0.00 0.02 0.00 0.00 56.10 56.03 1h52 s TRP 89 Cb 0.21 -1.20 -0.10 0.00 -1.15 0.00 0.00 33.47 31.23 1h52 s TRP 89 CO 0.33 0.56 0.85 -2.30 0.02 0.00 0.00 176.95 176.41 1h52 n PRO 90 N -0.19 1.00 -2.46 4.98 -0.02 -1.25 -4.45 135.00 132.61 1h52 n PRO 90 Ca -0.09 0.37 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 1h52 n PRO 90 Cb 0.57 -1.92 -0.04 0.00 -0.02 0.00 0.00 33.50 32.09 1h52 n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1h52 s PRO 91 N -2.08 4.56 -0.28 0.52 0.04 -1.26 -5.14 135.00 131.36 1h52 s PRO 91 Ca 0.66 1.79 -0.11 0.00 0.04 0.00 0.00 61.00 63.38 1h52 s PRO 91 Cb -0.52 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.87 1h52 s PRO 91 CO 0.55 0.14 0.21 0.00 0.04 0.00 0.00 177.00 177.94 1h52 s GLN 93 N 1.75 4.19 0.05 0.00 0.74 -1.26 -4.83 119.66 120.31 1h52 s GLN 93 Ca 0.08 -0.15 0.05 0.00 0.05 0.00 0.00 55.36 55.39 1h52 s GLN 93 Cb -0.16 -3.42 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 1h52 s GLN 93 CO 0.11 0.29 -0.14 0.71 -0.55 0.00 0.00 175.29 175.71 1h52 s TYR 94 N 0.36 1.25 -0.17 1.67 2.02 -1.26 0.43 117.35 121.66 1h52 s TYR 94 Ca 0.10 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.38 1h52 s TYR 94 Cb -0.11 -0.73 -0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1h52 s TYR 94 CO -0.01 0.05 -0.04 1.03 -1.57 0.00 0.00 175.55 175.01 1h52 s ARG 95 N -1.34 3.60 -0.06 -0.62 0.52 -0.13 -4.65 118.95 116.26 1h52 s ARG 95 Ca 0.01 -0.55 -0.06 0.00 -0.52 0.00 0.00 55.73 54.60 1h52 s ARG 95 Cb -0.09 -2.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 1h52 s ARG 95 CO 0.02 0.16 0.19 0.00 0.02 0.00 0.00 175.30 175.69 1h52 s ALA 96 N 0.57 3.88 -0.10 2.13 0.00 -1.26 -1.07 121.76 125.91 1h52 s ALA 96 Ca -0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1h52 s ALA 96 Cb -0.14 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.01 1h52 s ALA 96 CO 0.03 0.65 -0.02 0.99 0.00 0.00 0.00 175.76 177.40 1h52 s THR 97 N -1.15 0.65 0.26 0.00 2.01 -0.50 -4.76 115.64 112.14 1h52 s THR 97 Ca 0.21 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 1h52 s THR 97 Cb -0.13 -0.78 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 1h52 s THR 97 CO 0.10 0.25 0.66 0.00 -0.69 0.00 0.00 174.62 174.94 1h52 s ALA 98 N 1.86 3.44 0.32 7.40 0.00 -1.26 -0.57 121.76 132.95 1h52 s ALA 98 Ca 0.04 -0.05 -0.08 0.00 0.00 0.00 0.00 51.96 51.87 1h52 s ALA 98 Cb -0.13 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.35 1h52 s ALA 98 CO -0.07 0.40 0.55 0.20 0.00 0.00 0.00 175.76 176.84 1h52 s GLY 99 N -2.13 0.96 -0.27 0.00 0.00 0.87 -4.96 107.32 101.80 1h52 s GLY 99 Ca 0.48 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 1h52 s GLY 99 CO 0.19 -0.74 0.35 -0.12 0.00 0.00 0.00 173.10 172.78 1h52 s PHE 100 N -3.17 -0.72 0.25 1.90 5.36 -1.26 -0.49 117.98 119.85 1h52 s PHE 100 Ca 0.25 0.34 -0.20 0.00 -0.96 0.00 0.00 56.93 56.36 1h52 s PHE 100 Cb -0.02 -0.21 0.07 0.00 -0.34 0.00 0.00 43.02 42.53 1h52 s PHE 100 CO 0.15 -0.84 0.95 -0.98 -1.46 0.00 0.00 175.22 173.04 1h52 s ARG 101 N 2.47 1.63 0.76 10.12 1.70 -0.87 -4.86 118.95 129.90 1h52 s ARG 101 Ca 0.10 -1.05 -0.11 0.00 -0.47 0.00 0.00 55.73 54.20 1h52 s ARG 101 Cb -0.14 0.46 0.05 0.00 -0.57 0.00 0.00 34.95 34.75 1h52 s ARG 101 CO -0.24 -0.76 1.09 0.54 -1.08 0.00 0.00 175.30 174.84 1h52 s ASN 102 N -3.27 4.86 0.22 -2.89 4.22 -1.26 -0.55 114.94 116.27 1h52 s ASN 102 Ca 0.19 1.30 0.10 0.00 -2.14 0.00 0.00 52.86 52.31 1h52 s ASN 102 Cb -0.03 -2.07 -0.05 0.00 1.28 0.00 0.00 41.25 40.38 1h52 s ASN 102 CO 0.07 -1.74 -0.19 0.68 -2.04 0.00 0.00 177.10 173.89 1h52 s VAL 103 N -3.19 2.11 -0.15 3.54 -7.23 -1.26 -4.89 120.40 109.33 1h52 s VAL 103 Ca 0.60 -2.20 -0.00 0.00 -1.81 0.00 0.00 61.98 58.56 1h52 s VAL 103 Cb -0.13 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 1h52 s VAL 103 CO 0.54 -0.40 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.10 1h52 s VAL 104 N -2.44 2.90 0.30 1.32 1.01 -1.26 -0.94 120.40 121.28 1h52 s VAL 104 Ca 0.24 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1h52 s VAL 104 Cb -0.04 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1h52 s VAL 104 CO 0.10 0.51 0.13 0.68 0.00 0.00 0.00 175.10 176.52 1h52 s VAL 105 N 0.72 0.46 -0.05 2.92 -7.23 0.16 -1.11 120.40 116.28 1h52 s VAL 105 Ca -0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1h52 s VAL 105 Cb -0.15 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 1h52 s VAL 105 CO 0.02 0.00 -0.19 0.00 -0.31 0.00 0.00 175.10 174.61 1h52 s ALA 106 N -3.62 2.43 0.14 1.32 0.00 -0.07 0.24 121.76 122.20 1h52 s ALA 106 Ca 0.36 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1h52 s ALA 106 Cb 0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1h52 s ALA 106 CO 0.16 0.50 -0.05 0.00 0.00 0.00 0.00 175.76 176.37 1h52 s GLU 108 N -2.61 0.36 -1.40 0.00 2.12 0.29 -4.87 118.70 112.58 1h52 s GLU 108 Ca 0.25 0.82 -0.09 0.00 0.36 0.00 0.00 54.97 56.31 1h52 s GLU 108 Cb -0.10 0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.38 1h52 s GLU 108 CO 0.16 -0.18 0.60 0.09 -0.54 0.00 0.00 175.26 175.39 1h52 n ASN 109 N 4.52 -4.61 0.00 -1.70 3.02 -1.26 -1.01 115.26 114.22 1h52 n ASN 109 Ca -0.20 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1h52 n ASN 109 Cb 0.54 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.95 1h52 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h52 n GLY 110 N -1.36 0.74 3.20 7.41 0.00 -1.26 -5.03 105.19 108.89 1h52 n GLY 110 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 1h52 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h52 s LEU 111 N 0.00 2.19 0.06 0.99 1.43 -0.18 -4.75 118.68 118.42 1h52 s LEU 111 Ca 0.00 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.28 1h52 s LEU 111 Cb 0.00 -0.77 -0.08 0.00 0.03 0.00 0.00 46.19 45.38 1h52 s LEU 111 CO 0.00 0.08 1.53 -2.16 0.23 0.00 0.00 176.35 176.03 1h52 s PRO 112 N -1.26 4.24 -0.00 1.29 0.04 -1.26 -0.55 135.00 137.49 1h52 s PRO 112 Ca 0.04 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1h52 s PRO 112 Cb -0.09 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1h52 s PRO 112 CO 0.02 -0.63 0.79 1.33 0.04 0.00 0.00 177.00 178.55 1h52 n VAL 113 N 4.52 0.58 -3.64 -0.36 0.24 0.04 -4.37 118.33 115.34 1h52 n VAL 113 Ca 0.14 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.34 61.76 1h52 n VAL 113 Cb 0.41 0.69 -0.07 0.00 -1.47 0.00 0.00 33.84 33.40 1h52 n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1h52 s HIS 114 N -0.61 -0.70 -0.19 6.34 5.65 -1.17 -4.80 115.29 119.80 1h52 s HIS 114 Ca 0.01 1.58 -0.02 0.00 0.25 0.00 0.00 55.06 56.88 1h52 s HIS 114 Cb 0.01 0.39 -0.01 0.00 -1.18 0.00 0.00 32.58 31.79 1h52 s HIS 114 CO 0.00 -0.34 -0.08 -1.17 -0.65 0.00 0.00 174.74 172.50 1h52 s LEU 115 N 0.75 2.80 -0.68 8.88 0.20 -1.26 -0.89 118.68 128.47 1h52 s LEU 115 Ca -0.03 -0.38 -0.26 0.00 0.69 0.00 0.00 54.13 54.15 1h52 s LEU 115 Cb -0.05 -1.69 0.04 0.00 -0.43 0.00 0.00 46.19 44.06 1h52 s LEU 115 CO -0.08 0.04 1.19 -0.62 -0.29 0.00 0.00 176.35 176.59 1h52 s ASP 116 N 1.12 6.24 0.55 3.68 3.68 -0.27 -4.88 116.67 126.79 1h52 s ASP 116 Ca 0.01 -0.40 0.34 0.00 2.13 0.00 0.00 52.55 54.63 1h52 s ASP 116 Cb -0.15 -2.53 1.46 0.00 -1.45 0.00 0.00 42.92 40.26 1h52 s ASP 116 CO -0.02 -1.66 2.01 1.56 0.13 0.00 0.00 175.17 177.19 1h52 h GLN 117 N 9.81 0.00 -0.86 4.34 1.08 -1.97 -3.28 115.11 124.23 1h52 h GLN 117 Ca -0.27 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.11 1h52 h GLN 117 Cb 1.06 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.42 1h52 h GLN 117 CO 1.23 0.00 0.57 0.66 -0.95 0.00 0.00 178.83 180.34 1h52 h SER 118 N 0.00 0.42 0.72 1.46 4.64 -1.94 0.34 113.55 119.19 1h52 h SER 118 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1h52 h SER 118 Cb 0.45 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1h52 h SER 118 CO 0.00 0.19 0.00 0.16 -0.87 0.00 0.00 176.83 176.31 1h52 h ILE 119 N 0.43 0.00 -0.00 0.95 3.07 -1.99 -1.79 117.51 118.18 1h52 h ILE 119 Ca 0.44 -0.26 0.00 0.00 1.55 0.00 0.00 64.86 66.59 1h52 h ILE 119 Cb 1.04 1.03 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 1h52 h ILE 119 CO -0.16 0.00 -0.34 0.49 -1.05 0.00 0.00 178.15 177.09 1h52 n PHE 120 N -2.41 0.00 -1.81 0.16 3.72 0.49 -4.99 117.46 112.62 1h52 n PHE 120 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1h52 n PHE 120 Cb 0.23 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 1h52 n PHE 120 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1h52 s ARG 121 N -1.66 3.85 -0.28 -1.08 3.52 0.89 -4.95 118.95 119.23 1h52 s ARG 121 Ca 0.06 2.20 -0.09 0.00 -0.13 0.00 0.00 55.73 57.76 1h52 s ARG 121 Cb 0.08 -4.15 0.12 0.00 -1.56 0.00 0.00 34.95 29.43 1h52 s ARG 121 CO 0.33 -1.27 0.60 1.03 -0.81 0.00 0.00 175.30 175.18 1h52 s ARG 122 N 4.86 0.53 0.00 5.12 0.52 -1.26 -4.99 118.95 123.73 1h52 s ARG 122 Ca 0.85 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.43 1h52 s ARG 122 Cb -0.35 0.75 0.00 0.00 0.52 0.00 0.00 34.95 35.87 1h52 s ARG 122 CO 0.35 -0.21 0.15 -2.30 0.02 0.00 0.00 175.30 173.31