#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h53 h SER 4 N 0.00 0.82 -0.29 1.20 4.64 -2.03 -1.84 113.55 116.05 1h53 h SER 4 Ca 0.00 0.06 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 1h53 h SER 4 Cb 0.00 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1h53 h SER 4 CO 0.00 0.39 -0.40 0.03 -0.87 0.00 0.00 176.83 175.98 1h53 h ARG 5 N 0.85 0.84 -0.49 4.77 3.08 -1.96 -0.85 114.38 120.63 1h53 h ARG 5 Ca 0.51 -0.45 -0.10 0.00 0.07 0.00 0.00 59.98 60.01 1h53 h ARG 5 Cb 0.68 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1h53 h ARG 5 CO -0.28 1.09 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.69 1h53 h TYR 6 N 0.69 0.97 -0.45 3.04 3.20 -1.66 -0.96 116.97 121.81 1h53 h TYR 6 Ca 0.05 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.70 1h53 h TYR 6 Cb 0.98 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1h53 h TYR 6 CO 0.06 0.92 0.11 1.15 -1.64 0.00 0.00 178.16 178.76 1h53 h THR 7 N 0.80 1.23 -0.24 1.81 2.02 -1.19 -1.68 112.91 115.66 1h53 h THR 7 Ca 0.13 -0.80 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 1h53 h THR 7 Cb 0.60 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1h53 h THR 7 CO 0.04 0.29 -0.25 -0.74 0.37 0.00 0.00 175.52 175.23 1h53 h HIS 8 N 0.59 0.50 -0.22 3.16 -0.00 -0.97 -2.13 115.15 116.09 1h53 h HIS 8 Ca 0.14 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1h53 h HIS 8 Cb 0.31 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.59 1h53 h HIS 8 CO 0.02 0.66 0.13 0.35 -0.00 0.00 0.00 177.93 179.09 1h53 h PHE 9 N 0.40 0.29 -0.35 5.26 3.57 -0.74 -1.79 116.94 123.58 1h53 h PHE 9 Ca 0.06 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1h53 h PHE 9 Cb 0.65 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1h53 h PHE 9 CO 0.02 0.23 0.16 -0.07 -2.23 0.00 0.00 178.31 176.42 1h53 h LEU 10 N 0.26 0.43 -0.43 0.59 3.38 -1.07 0.10 115.31 118.58 1h53 h LEU 10 Ca 0.08 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 1h53 h LEU 10 Cb 0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1h53 h LEU 10 CO -0.01 0.38 -0.51 0.74 0.09 0.00 0.00 178.44 179.12 1h53 h THR 11 N 0.49 1.29 -0.00 0.22 2.02 -0.69 -2.06 112.91 114.18 1h53 h THR 11 Ca 0.12 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.58 1h53 h THR 11 Cb 0.07 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1h53 h THR 11 CO -0.02 0.55 -0.72 0.00 0.37 0.00 0.00 175.52 175.71 1h53 n GLN 12 N -4.00 0.36 0.00 6.66 10.64 -0.74 -4.61 117.38 125.69 1h53 n GLN 12 Ca -0.03 -0.28 0.00 0.00 -1.83 0.00 0.00 57.00 54.85 1h53 n GLN 12 Cb 0.60 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 1h53 n GLN 12 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1h53 n HIS 13 N -1.07 0.00 -4.45 2.61 8.25 0.33 -4.72 115.22 116.17 1h53 n HIS 13 Ca 0.06 -0.14 -0.23 0.00 -0.26 0.00 0.00 57.72 57.15 1h53 n HIS 13 Cb 0.37 -0.01 -0.16 0.00 1.12 0.00 0.00 29.99 31.30 1h53 n HIS 13 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1h53 s TYR 14 N -0.29 1.19 -0.31 4.41 5.04 -0.78 -0.29 117.35 126.32 1h53 s TYR 14 Ca 0.00 -0.40 -0.00 0.00 -2.44 0.00 0.00 57.07 54.23 1h53 s TYR 14 Cb 0.00 -0.90 0.14 0.00 0.35 0.00 0.00 41.96 41.55 1h53 s TYR 14 CO 0.00 -0.22 0.29 0.34 -1.34 0.00 0.00 175.55 174.62 1h53 s ASP 15 N 0.65 1.86 0.15 4.32 3.68 -0.38 -4.79 116.67 122.16 1h53 s ASP 15 Ca -0.12 -1.08 -0.30 0.00 2.13 0.00 0.00 52.55 53.18 1h53 s ASP 15 Cb -0.14 0.37 -0.06 0.00 -1.45 0.00 0.00 42.92 41.63 1h53 s ASP 15 CO 0.02 -0.36 1.55 0.00 0.13 0.00 0.00 175.17 176.51 1h53 h ALA 16 N 7.95 -0.60 -2.76 3.66 0.00 -1.78 -3.37 119.26 122.37 1h53 h ALA 16 Ca -0.09 0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.29 1h53 h ALA 16 Cb 1.06 1.17 -0.39 0.00 0.00 0.00 0.00 17.79 19.62 1h53 h ALA 16 CO 0.31 -0.97 -0.80 0.15 0.00 0.00 0.00 179.25 177.94 1h53 s LYS 17 N -5.65 0.86 0.64 0.00 1.02 -1.26 -2.07 119.74 113.28 1h53 s LYS 17 Ca -0.14 -1.61 -0.07 0.00 0.02 0.00 0.00 55.97 54.17 1h53 s LYS 17 Cb 0.11 -1.74 0.02 0.00 -0.52 0.00 0.00 37.83 35.70 1h53 s LYS 17 CO 0.63 -1.19 0.97 -1.25 -0.92 0.00 0.00 175.35 173.59 1h53 s PRO 18 N 0.78 2.72 0.00 -1.68 0.04 -1.26 -5.09 135.00 130.51 1h53 s PRO 18 Ca 0.18 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.24 1h53 s PRO 18 Cb -0.24 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1h53 s PRO 18 CO 0.01 -0.91 0.00 1.04 0.04 0.00 0.00 177.00 177.18 1h53 n GLN 19 N -2.76 0.00 -2.83 4.56 1.13 -1.26 -4.93 117.38 111.30 1h53 n GLN 19 Ca 0.06 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.72 1h53 n GLN 19 Cb 0.58 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.88 1h53 n GLN 19 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1h53 s GLY 20 N 0.00 2.98 -1.03 1.08 0.00 -1.26 -4.93 107.32 104.16 1h53 s GLY 20 Ca 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 44.72 45.19 1h53 s GLY 20 CO 0.00 1.21 1.69 0.54 0.00 0.00 0.00 173.10 176.54 1h53 n ARG 21 N 2.25 5.08 -2.87 2.90 1.74 -1.26 -4.61 116.66 119.89 1h53 n ARG 21 Ca -0.01 -4.64 -0.18 0.00 -0.77 0.00 0.00 57.85 52.25 1h53 n ARG 21 Cb 0.49 -2.48 0.05 0.00 -1.02 0.00 0.00 32.46 29.50 1h53 n ARG 21 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1h53 n ASP 22 N 0.38 1.97 -0.33 0.55 3.85 -1.26 -4.59 116.55 117.11 1h53 n ASP 22 Ca 0.40 -2.40 0.09 0.00 -0.71 0.00 0.00 54.79 52.17 1h53 n ASP 22 Cb 0.29 -0.31 0.26 0.00 -1.35 0.00 0.00 41.12 40.01 1h53 n ASP 22 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1h53 h ASP 23 N 0.18 0.73 -0.57 -1.12 5.19 -1.87 -0.79 116.42 118.17 1h53 h ASP 23 Ca -0.25 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.15 1h53 h ASP 23 Cb 1.09 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 1h53 h ASP 23 CO 0.36 0.31 -0.01 0.03 -3.12 0.00 0.00 179.24 176.82 1h53 h ARG 24 N 0.77 1.01 -0.62 3.56 3.08 -1.95 -1.89 114.38 118.35 1h53 h ARG 24 Ca 0.52 -0.33 0.04 0.00 0.07 0.00 0.00 59.98 60.28 1h53 h ARG 24 Cb 0.70 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 1h53 h ARG 24 CO -0.34 1.01 0.36 -0.92 -1.07 0.00 0.00 179.97 179.01 1h53 h TYR 25 N 0.90 0.67 0.36 3.04 3.20 -1.43 -1.59 116.97 122.11 1h53 h TYR 25 Ca 0.16 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1h53 h TYR 25 Cb 0.56 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1h53 h TYR 25 CO 0.04 0.36 -0.17 0.00 -1.64 0.00 0.00 178.16 176.75 1h53 h GLU 27 N -0.51 0.00 0.09 0.00 5.08 -1.20 -0.32 114.58 117.72 1h53 h GLU 27 Ca -0.05 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 1h53 h GLU 27 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1h53 h GLU 27 CO 0.08 0.00 -1.05 1.03 -1.00 0.00 0.00 179.01 178.07 1h53 h SER 28 N 0.00 0.28 0.65 1.42 0.87 -0.97 -3.22 113.55 112.58 1h53 h SER 28 Ca 0.06 -0.85 -0.06 0.00 -1.23 0.00 0.00 61.79 59.71 1h53 h SER 28 Cb 0.27 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1h53 h SER 28 CO -0.00 1.46 -0.30 -0.29 -0.53 0.00 0.00 176.83 177.17 1h53 h ILE 29 N -0.53 0.84 -0.33 2.23 2.10 -0.69 -0.12 117.51 121.02 1h53 h ILE 29 Ca -0.23 -1.20 -0.15 0.00 1.08 0.00 0.00 64.86 64.36 1h53 h ILE 29 Cb 1.55 1.73 -0.01 0.00 -1.09 0.00 0.00 36.82 39.00 1h53 h ILE 29 CO 0.03 0.29 -0.40 0.24 -1.08 0.00 0.00 178.15 177.23 1h53 h MET 30 N 0.00 0.82 -0.04 2.19 2.86 -1.19 -0.39 114.93 119.17 1h53 h MET 30 Ca -0.00 -0.43 -0.04 0.00 -2.06 0.00 0.00 59.70 57.17 1h53 h MET 30 Cb 0.71 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.38 1h53 h MET 30 CO 0.04 1.07 -0.11 -0.09 1.06 0.00 0.00 176.91 178.87 1h53 h ARG 31 N 0.67 0.15 -0.72 1.72 2.43 -1.52 0.24 114.38 117.35 1h53 h ARG 31 Ca 0.05 -0.11 0.10 0.00 -0.81 0.00 0.00 59.98 59.22 1h53 h ARG 31 Cb 0.97 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.46 1h53 h ARG 31 CO 0.09 0.72 0.35 0.00 -1.51 0.00 0.00 179.97 179.62 1h53 h ARG 32 N -0.39 0.56 -0.20 0.20 3.08 -0.94 -0.54 114.38 116.15 1h53 h ARG 32 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1h53 h ARG 32 Cb 0.72 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1h53 h ARG 32 CO 0.02 0.37 0.00 0.54 -1.07 0.00 0.00 179.97 179.84 1h53 n ARG 33 N -4.88 1.56 -3.41 0.04 5.12 -0.16 -4.94 116.66 109.99 1h53 n ARG 33 Ca 0.11 -0.86 -0.17 0.00 -1.93 0.00 0.00 57.85 55.00 1h53 n ARG 33 Cb 0.29 -1.27 0.09 0.00 -1.16 0.00 0.00 32.46 30.41 1h53 n ARG 33 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h53 n GLY 34 N 0.96 -0.35 0.63 -0.13 0.00 -0.21 -4.88 105.19 101.22 1h53 n GLY 34 Ca 0.11 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.28 1h53 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h53 n LEU 35 N -4.09 3.10 -0.67 0.99 4.77 0.82 -4.63 117.00 117.29 1h53 n LEU 35 Ca -0.28 -3.57 0.06 0.00 -0.03 0.00 0.00 56.01 52.19 1h53 n LEU 35 Cb 0.66 -0.53 0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1h53 n LEU 35 CO 0.60 1.11 0.64 0.35 -1.33 0.00 0.00 177.39 178.76 1h53 n THR 36 N -1.14 1.06 -3.31 -5.08 -2.24 -1.24 -1.26 114.28 101.08 1h53 n THR 36 Ca 0.22 -1.04 -0.16 0.00 -2.27 0.00 0.00 64.05 60.80 1h53 n THR 36 Cb 0.78 0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 1h53 n THR 36 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1h53 s SER 37 N -1.04 0.85 0.87 3.42 0.15 -1.26 -3.49 113.70 113.20 1h53 s SER 37 Ca 0.25 -1.75 -0.13 0.00 0.70 0.00 0.00 55.95 55.02 1h53 s SER 37 Cb 0.13 0.62 0.12 0.00 -1.71 0.00 0.00 66.02 65.18 1h53 s SER 37 CO 0.16 -0.22 1.17 -2.16 1.20 0.00 0.00 173.24 173.39 1h53 s PRO 38 N 1.23 1.45 0.08 5.44 0.04 -1.26 -5.08 135.00 136.90 1h53 s PRO 38 Ca 0.20 0.13 -0.31 0.00 0.04 0.00 0.00 61.00 61.06 1h53 s PRO 38 Cb -0.12 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1h53 s PRO 38 CO -0.05 -1.95 1.66 0.00 0.04 0.00 0.00 177.00 176.70 1h53 s LYS 40 N 2.50 4.48 0.29 0.00 2.36 -0.39 -4.91 119.74 124.07 1h53 s LYS 40 Ca 0.74 2.00 0.03 0.00 -2.55 0.00 0.00 55.97 56.19 1h53 s LYS 40 Cb -0.41 -3.16 0.44 0.00 -1.05 0.00 0.00 37.83 33.66 1h53 s LYS 40 CO 0.32 -0.04 1.74 0.22 1.55 0.00 0.00 175.35 179.14 1h53 h ASP 41 N 4.10 0.46 -4.12 1.43 3.58 -1.92 -3.41 116.42 116.54 1h53 h ASP 41 Ca -0.47 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 56.79 1h53 h ASP 41 Cb 1.22 -0.12 -0.21 0.00 1.72 0.00 0.00 39.33 41.93 1h53 h ASP 41 CO 0.69 0.70 0.13 -0.51 -2.88 0.00 0.00 179.24 177.37 1h53 s ILE 42 N -4.51 0.00 -0.19 2.25 2.07 -1.26 -0.74 121.20 118.83 1h53 s ILE 42 Ca -0.07 -0.00 -0.13 0.00 -1.41 0.00 0.00 60.65 59.04 1h53 s ILE 42 Cb 0.14 -0.99 0.06 0.00 0.13 0.00 0.00 42.46 41.80 1h53 s ILE 42 CO 0.79 -0.00 0.47 0.21 -1.91 0.00 0.00 174.94 174.50 1h53 s ASN 43 N 0.19 -0.55 -0.08 4.50 2.47 -0.55 -4.99 114.94 115.92 1h53 s ASN 43 Ca -0.01 0.99 0.01 0.00 0.42 0.00 0.00 52.86 54.27 1h53 s ASN 43 Cb -0.04 0.93 -0.03 0.00 -1.45 0.00 0.00 41.25 40.66 1h53 s ASN 43 CO 0.02 -0.19 -0.10 -0.89 -3.72 0.00 0.00 177.10 172.22 1h53 s THR 44 N 0.89 3.39 -0.06 -5.21 2.01 -1.26 -0.30 115.64 115.09 1h53 s THR 44 Ca -0.05 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.37 1h53 s THR 44 Cb -0.06 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 1h53 s THR 44 CO -0.07 0.58 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.02 1h53 s PHE 45 N -0.53 2.96 -0.04 4.92 0.08 0.10 -4.51 117.98 120.97 1h53 s PHE 45 Ca 0.07 0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.16 1h53 s PHE 45 Cb -0.12 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1h53 s PHE 45 CO 0.02 0.36 0.04 0.42 -0.10 0.00 0.00 175.22 175.96 1h53 s ILE 46 N -0.84 4.53 0.33 0.64 1.01 0.61 -1.40 121.20 126.08 1h53 s ILE 46 Ca 0.13 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.51 1h53 s ILE 46 Cb -0.11 -3.00 -0.06 0.00 0.01 0.00 0.00 42.46 39.30 1h53 s ILE 46 CO 0.02 0.45 -0.04 -1.00 0.00 0.00 0.00 174.94 174.37 1h53 s HIS 47 N -1.07 2.49 0.00 3.97 3.76 -0.25 -1.25 115.29 122.94 1h53 s HIS 47 Ca 0.19 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 1h53 s HIS 47 Cb -0.12 -1.40 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1h53 s HIS 47 CO 0.09 0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.93 1h53 n GLY 48 N -0.88 0.22 3.88 -2.22 0.00 -0.88 -4.32 105.19 101.00 1h53 n GLY 48 Ca -0.05 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 1h53 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h53 s ASN 49 N -4.00 6.57 0.33 1.61 2.20 -1.26 -4.46 114.94 115.92 1h53 s ASN 49 Ca 0.00 0.68 0.01 0.00 -0.94 0.00 0.00 52.86 52.61 1h53 s ASN 49 Cb 0.00 -2.13 0.57 0.00 -2.00 0.00 0.00 41.25 37.69 1h53 s ASN 49 CO 0.00 0.17 1.96 0.11 -2.94 0.00 0.00 177.10 176.40 1h53 h LYS 50 N 3.59 0.84 -0.82 3.55 1.57 -1.99 -2.91 116.57 120.39 1h53 h LYS 50 Ca -0.49 -0.08 0.19 0.00 -1.87 0.00 0.00 60.65 58.40 1h53 h LYS 50 Cb 1.19 -0.17 -0.12 0.00 0.08 0.00 0.00 32.23 33.21 1h53 h LYS 50 CO 0.68 0.61 0.28 -0.09 -0.57 0.00 0.00 179.45 180.36 1h53 h ARG 51 N 0.85 0.33 -0.15 3.15 9.65 -2.00 0.50 114.38 126.71 1h53 h ARG 51 Ca 0.22 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.97 1h53 h ARG 51 Cb 0.01 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1h53 h ARG 51 CO -0.04 0.22 -0.40 0.77 2.80 0.00 0.00 179.97 183.32 1h53 h SER 52 N 0.34 0.34 -0.07 -3.80 0.02 -1.94 -1.86 113.55 106.59 1h53 h SER 52 Ca 0.49 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.26 1h53 h SER 52 Cb 0.88 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1h53 h SER 52 CO -0.52 0.71 -0.08 0.40 -1.14 0.00 0.00 176.83 176.20 1h53 h ILE 53 N 0.27 1.38 -0.72 3.27 2.04 -1.03 -3.17 117.51 119.56 1h53 h ILE 53 Ca 0.03 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.61 1h53 h ILE 53 Cb 0.83 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.96 1h53 h ILE 53 CO 0.07 0.35 0.45 0.11 0.00 0.00 0.00 178.15 179.13 1h53 h LYS 54 N -0.28 0.95 0.00 2.37 1.57 -1.01 -2.05 116.57 118.13 1h53 h LYS 54 Ca 0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1h53 h LYS 54 Cb 0.61 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1h53 h LYS 54 CO 0.02 0.65 0.00 0.00 -0.57 0.00 0.00 179.45 179.55 1h53 h ALA 55 N 1.52 1.00 0.00 3.86 0.00 -1.31 -1.19 119.26 123.14 1h53 h ALA 55 Ca 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1h53 h ALA 55 Cb -0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1h53 h ALA 55 CO -0.05 0.00 -0.07 0.82 0.00 0.00 0.00 179.25 179.95 1h53 h ILE 56 N 0.00 0.31 0.00 0.00 2.04 -1.38 -1.41 117.51 117.07 1h53 h ILE 56 Ca 0.00 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1h53 h ILE 56 Cb 0.10 1.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1h53 h ILE 56 CO 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 178.15 178.19 1h53 s GLU 58 N -3.44 2.61 0.00 0.00 -1.05 -0.55 -4.95 118.70 111.31 1h53 s GLU 58 Ca 0.04 -1.42 0.14 0.00 -0.15 0.00 0.00 54.97 53.58 1h53 s GLU 58 Cb 0.07 -2.40 0.73 0.00 -0.44 0.00 0.00 34.13 32.09 1h53 s GLU 58 CO 0.61 -0.01 1.37 0.09 0.95 0.00 0.00 175.26 178.27 1h53 n ASN 59 N -1.41 0.00 -0.10 0.83 4.13 -1.26 -2.44 115.26 115.01 1h53 n ASN 59 Ca -0.00 0.02 -0.05 0.00 1.68 0.00 0.00 54.58 56.23 1h53 n ASN 59 Cb 0.61 -0.25 0.15 0.00 -1.54 0.00 0.00 39.78 38.74 1h53 n ASN 59 CO 0.00 0.00 0.00 0.50 0.28 0.00 0.00 177.26 178.04 1h53 h LYS 60 N 0.00 0.78 0.00 3.52 1.63 -1.93 -3.34 116.57 117.23 1h53 h LYS 60 Ca 0.00 -0.23 -0.12 0.00 -0.85 0.00 0.00 60.65 59.45 1h53 h LYS 60 Cb 0.12 -0.08 -0.26 0.00 -0.60 0.00 0.00 32.23 31.41 1h53 h LYS 60 CO 0.00 0.82 -0.85 -1.71 -3.45 0.00 0.00 179.45 174.26 1h53 n ASN 61 N -4.19 0.75 -3.65 4.20 5.15 -1.07 -4.96 115.26 111.49 1h53 n ASN 61 Ca 0.02 -2.08 -0.10 0.00 -0.60 0.00 0.00 54.58 51.82 1h53 n ASN 61 Cb 0.33 -0.28 -0.04 0.00 -0.53 0.00 0.00 39.78 39.26 1h53 n ASN 61 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1h53 s GLY 62 N -1.76 -0.24 0.05 8.20 0.00 -1.02 -1.45 107.32 111.09 1h53 s GLY 62 Ca 0.24 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.93 1h53 s GLY 62 CO -0.11 -0.21 -0.07 -1.31 0.00 0.00 0.00 173.10 171.40 1h53 s ASN 63 N -2.83 0.79 0.64 1.64 0.02 -0.22 -4.43 114.94 110.55 1h53 s ASN 63 Ca 0.06 -0.65 -0.18 0.00 -1.02 0.00 0.00 52.86 51.06 1h53 s ASN 63 Cb 0.00 0.07 -0.02 0.00 0.02 0.00 0.00 41.25 41.32 1h53 s ASN 63 CO -0.08 -0.29 1.27 -0.81 0.02 0.00 0.00 177.10 177.21 1h53 n PRO 64 N 1.14 1.14 -3.75 -0.60 -0.04 -1.26 -0.58 135.00 131.04 1h53 n PRO 64 Ca -0.21 0.44 -0.13 0.00 -0.04 0.00 0.00 63.50 63.57 1h53 n PRO 64 Cb 0.56 -2.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.39 1h53 n PRO 64 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1h53 s HIS 65 N -1.39 -0.25 0.00 0.54 2.46 0.39 -4.64 115.29 112.40 1h53 s HIS 65 Ca 0.81 0.63 0.00 0.00 0.47 0.00 0.00 55.06 56.97 1h53 s HIS 65 Cb -0.39 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.07 1h53 s HIS 65 CO 0.41 -0.18 0.00 0.54 -2.47 0.00 0.00 174.74 173.04 1h53 n ARG 66 N 3.94 0.00 0.09 2.88 1.74 -1.26 -1.15 116.66 122.89 1h53 n ARG 66 Ca -0.23 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.79 1h53 n ARG 66 Cb 0.54 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 32.06 1h53 n ARG 66 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1h53 h GLU 67 N 0.00 0.21 0.00 5.56 3.07 -2.05 -3.42 114.58 117.96 1h53 h GLU 67 Ca 0.00 -0.17 -0.00 0.00 -0.50 0.00 0.00 59.36 58.68 1h53 h GLU 67 Cb 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1h53 h GLU 67 CO 0.00 0.83 -0.01 0.27 -1.40 0.00 0.00 179.01 178.70 1h53 n ASN 68 N -3.79 -0.03 -4.99 1.42 6.94 -1.20 -5.15 115.26 108.46 1h53 n ASN 68 Ca -0.03 -0.75 -0.23 0.00 -0.02 0.00 0.00 54.58 53.56 1h53 n ASN 68 Cb 0.68 0.01 0.04 0.00 -2.36 0.00 0.00 39.78 38.15 1h53 n ASN 68 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1h53 s LEU 69 N 0.00 2.88 0.04 -4.53 1.43 -0.30 -4.67 118.68 113.52 1h53 s LEU 69 Ca 0.00 -1.05 0.04 0.00 -1.03 0.00 0.00 54.13 52.09 1h53 s LEU 69 Cb 0.00 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.84 1h53 s LEU 69 CO 0.00 -1.30 -0.13 -0.13 0.23 0.00 0.00 176.35 175.02 1h53 s ARG 70 N -4.54 0.85 -0.08 1.70 1.81 0.38 -0.46 118.95 118.61 1h53 s ARG 70 Ca 0.50 -0.71 0.04 0.00 -1.72 0.00 0.00 55.73 53.84 1h53 s ARG 70 Cb -0.04 -0.83 0.00 0.00 -0.45 0.00 0.00 34.95 33.63 1h53 s ARG 70 CO 0.32 0.20 -0.21 -1.50 -0.68 0.00 0.00 175.30 173.43 1h53 s ILE 71 N -0.85 1.79 0.62 1.52 2.07 0.25 -1.33 121.20 125.27 1h53 s ILE 71 Ca 0.00 -0.88 -0.17 0.00 -1.41 0.00 0.00 60.65 58.19 1h53 s ILE 71 Cb -0.08 -1.55 -0.02 0.00 0.13 0.00 0.00 42.46 40.94 1h53 s ILE 71 CO 0.01 0.50 1.15 -0.94 -1.91 0.00 0.00 174.94 173.75 1h53 s SER 72 N 0.28 5.21 -0.09 4.50 1.04 0.22 -1.06 113.70 123.81 1h53 s SER 72 Ca -0.14 2.18 -0.08 0.00 0.48 0.00 0.00 55.95 58.39 1h53 s SER 72 Cb -0.16 -2.58 -0.28 0.00 0.10 0.00 0.00 66.02 63.10 1h53 s SER 72 CO 0.06 -1.57 0.48 0.11 0.98 0.00 0.00 173.24 173.31 1h53 h LYS 73 N 0.55 0.32 -6.89 4.02 1.57 -1.60 -3.43 116.57 111.11 1h53 h LYS 73 Ca -0.49 -0.54 -0.49 0.00 -1.87 0.00 0.00 60.65 57.26 1h53 h LYS 73 Cb 1.27 0.20 0.02 0.00 0.08 0.00 0.00 32.23 33.80 1h53 h LYS 73 CO 0.55 1.26 0.10 -1.54 -0.57 0.00 0.00 179.45 179.24 1h53 s SER 74 N -7.14 6.34 0.24 0.86 1.04 -1.26 -4.96 113.70 108.81 1h53 s SER 74 Ca -0.20 0.97 -0.07 0.00 0.48 0.00 0.00 55.95 57.13 1h53 s SER 74 Cb 0.06 -2.26 -0.06 0.00 0.10 0.00 0.00 66.02 63.86 1h53 s SER 74 CO 0.80 -0.52 0.52 -0.44 0.98 0.00 0.00 173.24 174.58 1h53 s SER 75 N -3.82 6.52 0.10 7.02 0.01 -1.26 -4.25 113.70 118.02 1h53 s SER 75 Ca 0.48 0.76 0.07 0.00 1.31 0.00 0.00 55.95 58.57 1h53 s SER 75 Cb -0.10 -2.16 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1h53 s SER 75 CO 0.41 -0.10 -0.17 -0.36 0.41 0.00 0.00 173.24 173.43 1h53 s PHE 76 N -1.90 1.51 0.09 2.43 0.08 1.00 -4.86 117.98 116.34 1h53 s PHE 76 Ca 0.45 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.73 1h53 s PHE 76 Cb -0.11 -0.82 -0.05 0.00 -0.57 0.00 0.00 43.02 41.47 1h53 s PHE 76 CO 0.26 0.15 0.96 -0.65 -0.10 0.00 0.00 175.22 175.84 1h53 s GLN 77 N -2.08 4.67 0.12 0.44 -1.52 -1.26 -1.84 119.66 118.19 1h53 s GLN 77 Ca 0.05 1.44 -0.03 0.00 -1.95 0.00 0.00 55.36 54.87 1h53 s GLN 77 Cb -0.09 -3.39 -0.03 0.00 -0.22 0.00 0.00 33.01 29.28 1h53 s GLN 77 CO 0.03 0.17 0.09 0.14 -0.25 0.00 0.00 175.29 175.47 1h53 s VAL 78 N 0.19 0.12 -0.03 1.09 -7.23 -0.41 -1.09 120.40 113.03 1h53 s VAL 78 Ca 0.48 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 58.87 1h53 s VAL 78 Cb -0.23 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 34.86 1h53 s VAL 78 CO 0.29 -0.54 0.04 -0.89 -0.31 0.00 0.00 175.10 173.70 1h53 s THR 79 N -4.00 -0.07 -0.19 5.32 2.01 -0.49 -0.27 115.64 117.94 1h53 s THR 79 Ca 0.19 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.44 1h53 s THR 79 Cb 0.07 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.41 1h53 s THR 79 CO -0.01 0.14 0.06 -0.89 -0.69 0.00 0.00 174.62 173.22 1h53 s THR 80 N 1.64 4.63 -0.26 -0.82 2.01 0.29 -0.72 115.64 122.40 1h53 s THR 80 Ca -0.02 -0.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 1h53 s THR 80 Cb -0.12 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 1h53 s THR 80 CO -0.03 0.44 0.09 0.00 -0.69 0.00 0.00 174.62 174.43 1h53 s LYS 82 N 1.61 3.40 0.19 0.00 2.47 -0.28 -1.49 119.74 125.64 1h53 s LYS 82 Ca 0.06 -0.65 -0.31 0.00 -1.56 0.00 0.00 55.97 53.51 1h53 s LYS 82 Cb -0.16 -2.68 -0.10 0.00 -1.46 0.00 0.00 37.83 33.44 1h53 s LYS 82 CO 0.04 0.24 1.49 -1.17 0.16 0.00 0.00 175.35 176.11 1h53 s LEU 83 N 0.29 4.38 -0.10 5.43 2.96 0.08 -0.17 118.68 131.55 1h53 s LEU 83 Ca -0.09 2.58 0.02 0.00 -0.22 0.00 0.00 54.13 56.43 1h53 s LEU 83 Cb -0.15 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1h53 s LEU 83 CO 0.05 -0.75 -0.18 -2.28 -1.32 0.00 0.00 176.35 171.88 1h53 s HIS 84 N 0.71 2.68 0.00 5.38 5.65 0.57 -4.89 115.29 125.39 1h53 s HIS 84 Ca 0.65 -0.68 0.00 0.00 0.25 0.00 0.00 55.06 55.28 1h53 s HIS 84 Cb -0.42 -1.75 0.00 0.00 -1.18 0.00 0.00 32.58 29.23 1h53 s HIS 84 CO 0.35 -0.21 0.00 0.41 -0.65 0.00 0.00 174.74 174.65 1h53 n GLY 85 N 3.27 2.68 0.55 1.59 0.00 -1.26 -4.22 105.19 107.81 1h53 n GLY 85 Ca -0.18 -1.98 0.08 0.00 0.00 0.00 0.00 46.02 43.94 1h53 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h53 n GLY 86 N 0.14 0.33 3.27 -0.02 0.00 -1.26 -4.90 105.19 102.75 1h53 n GLY 86 Ca 0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 1h53 n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1h53 s SER 87 N -1.34 2.93 0.00 1.61 0.15 -1.26 -4.99 113.70 110.80 1h53 s SER 87 Ca 0.28 -0.47 0.19 0.00 0.70 0.00 0.00 55.95 56.65 1h53 s SER 87 Cb 0.15 -0.53 0.92 0.00 -1.71 0.00 0.00 66.02 64.84 1h53 s SER 87 CO 0.21 0.27 1.62 -0.81 1.20 0.00 0.00 173.24 175.74 1h53 n PRO 88 N 2.69 1.33 -4.53 5.44 -0.04 -1.26 -4.84 135.00 133.80 1h53 n PRO 88 Ca -0.17 -0.50 -0.33 0.00 -0.04 0.00 0.00 63.50 62.46 1h53 n PRO 88 Cb 0.52 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.54 1h53 n PRO 88 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1h53 s TRP 89 N -1.90 2.97 0.64 0.54 0.52 -1.26 0.55 118.94 120.99 1h53 s TRP 89 Ca 0.29 0.04 -0.17 0.00 0.02 0.00 0.00 56.10 56.28 1h53 s TRP 89 Cb 0.15 -1.69 -0.07 0.00 -1.15 0.00 0.00 33.47 30.71 1h53 s TRP 89 CO 0.23 0.37 0.53 -2.30 0.02 0.00 0.00 176.95 175.80 1h53 n PRO 90 N 1.99 0.43 -2.30 4.98 -0.02 -1.26 -4.43 135.00 134.39 1h53 n PRO 90 Ca -0.17 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.07 1h53 n PRO 90 Cb 0.53 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.21 1h53 n PRO 90 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1h53 s PRO 91 N -2.40 4.40 -0.38 0.52 0.02 -1.26 -5.13 135.00 130.76 1h53 s PRO 91 Ca 0.67 1.93 -0.17 0.00 0.02 0.00 0.00 61.00 63.45 1h53 s PRO 91 Cb -0.40 -3.27 0.01 0.00 0.02 0.00 0.00 34.50 30.86 1h53 s PRO 91 CO 0.56 -0.28 0.46 0.00 -0.33 0.00 0.00 177.00 177.41 1h53 s GLN 93 N 2.25 4.27 0.09 0.00 -0.21 -1.26 -4.84 119.66 119.97 1h53 s GLN 93 Ca 0.15 0.22 0.10 0.00 0.02 0.00 0.00 55.36 55.85 1h53 s GLN 93 Cb -0.16 -3.45 -0.04 0.00 1.00 0.00 0.00 33.01 30.36 1h53 s GLN 93 CO 0.14 0.16 -0.27 0.71 -2.12 0.00 0.00 175.29 173.91 1h53 s TYR 94 N 0.69 2.32 -0.17 0.91 2.02 -1.26 -0.32 117.35 121.53 1h53 s TYR 94 Ca 0.20 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 1h53 s TYR 94 Cb -0.14 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 1h53 s TYR 94 CO 0.07 0.25 -0.03 1.03 -1.57 0.00 0.00 175.55 175.30 1h53 s ARG 95 N -1.71 3.62 0.02 -0.62 0.52 0.76 -4.67 118.95 116.87 1h53 s ARG 95 Ca 0.13 -0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 54.73 1h53 s ARG 95 Cb -0.10 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 1h53 s ARG 95 CO 0.04 0.13 0.29 0.00 0.02 0.00 0.00 175.30 175.78 1h53 s ALA 96 N 0.67 3.83 -0.16 2.13 0.00 -1.26 -1.13 121.76 125.84 1h53 s ALA 96 Ca -0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1h53 s ALA 96 Cb -0.14 -2.10 0.05 0.00 0.00 0.00 0.00 23.12 20.93 1h53 s ALA 96 CO 0.02 0.64 0.05 0.99 0.00 0.00 0.00 175.76 177.46 1h53 s THR 97 N -1.31 0.25 0.21 0.00 2.01 -0.43 -4.80 115.64 111.57 1h53 s THR 97 Ca 0.28 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.77 1h53 s THR 97 Cb -0.13 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.54 1h53 s THR 97 CO 0.16 -0.15 0.79 0.00 -0.69 0.00 0.00 174.62 174.73 1h53 s ALA 98 N 1.99 3.40 0.35 7.40 0.00 -1.26 -0.55 121.76 133.08 1h53 s ALA 98 Ca 0.01 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.29 1h53 s ALA 98 Cb -0.16 -2.95 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 1h53 s ALA 98 CO -0.08 0.28 0.45 0.20 0.00 0.00 0.00 175.76 176.62 1h53 s GLY 99 N -1.40 1.69 -0.29 0.00 0.00 0.63 -4.97 107.32 102.98 1h53 s GLY 99 Ca 0.41 -1.65 0.03 0.00 0.00 0.00 0.00 44.72 43.51 1h53 s GLY 99 CO 0.24 -1.09 0.49 -0.12 0.00 0.00 0.00 173.10 172.61 1h53 s PHE 100 N -3.05 -1.36 0.36 1.90 5.36 -1.26 -1.28 117.98 118.64 1h53 s PHE 100 Ca 0.33 0.74 -0.15 0.00 -0.96 0.00 0.00 56.93 56.89 1h53 s PHE 100 Cb -0.00 0.09 0.06 0.00 -0.34 0.00 0.00 43.02 42.82 1h53 s PHE 100 CO 0.22 -1.00 0.80 2.89 -1.46 0.00 0.00 175.22 176.67 1h53 n ARG 101 N 5.38 1.04 -1.84 10.12 1.85 -0.77 -4.83 116.66 127.62 1h53 n ARG 101 Ca 0.02 -2.06 -0.31 0.00 -1.00 0.00 0.00 57.85 54.50 1h53 n ARG 101 Cb 0.51 2.60 0.02 0.00 -1.05 0.00 0.00 32.46 34.54 1h53 n ARG 101 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1h53 s ASN 102 N -3.05 5.93 0.30 2.89 4.22 -1.26 -0.00 114.94 123.96 1h53 s ASN 102 Ca 0.16 1.37 0.09 0.00 -2.14 0.00 0.00 52.86 52.33 1h53 s ASN 102 Cb -0.05 -2.33 -0.06 0.00 1.28 0.00 0.00 41.25 40.09 1h53 s ASN 102 CO 0.11 -1.06 -0.10 0.68 -2.04 0.00 0.00 177.10 174.69 1h53 s VAL 103 N -3.21 1.99 -0.15 3.54 -7.23 -1.26 -4.89 120.40 109.18 1h53 s VAL 103 Ca 0.56 -2.20 0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1h53 s VAL 103 Cb -0.11 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1h53 s VAL 103 CO 0.54 -0.31 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.16 1h53 s VAL 104 N -2.79 2.55 0.22 1.32 1.01 -1.26 -0.61 120.40 120.84 1h53 s VAL 104 Ca 0.30 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1h53 s VAL 104 Cb 0.02 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1h53 s VAL 104 CO 0.13 0.52 0.03 0.68 0.00 0.00 0.00 175.10 176.46 1h53 s VAL 105 N 0.83 0.78 -0.09 2.92 -7.23 -0.44 -1.28 120.40 115.89 1h53 s VAL 105 Ca -0.05 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.11 1h53 s VAL 105 Cb -0.15 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 1h53 s VAL 105 CO -0.01 -0.27 -0.06 0.00 -0.31 0.00 0.00 175.10 174.45 1h53 s ALA 106 N -3.59 2.98 0.06 1.32 0.00 -0.16 -0.47 121.76 121.90 1h53 s ALA 106 Ca 0.30 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.44 1h53 s ALA 106 Cb 0.07 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1h53 s ALA 106 CO 0.09 0.48 -0.06 0.00 0.00 0.00 0.00 175.76 176.27 1h53 s GLU 108 N -1.94 0.43 -1.37 0.00 0.41 0.47 -4.84 118.70 111.87 1h53 s GLU 108 Ca 0.21 0.17 -0.03 0.00 -0.41 0.00 0.00 54.97 54.90 1h53 s GLU 108 Cb -0.11 -0.82 -0.00 0.00 -1.78 0.00 0.00 34.13 31.41 1h53 s GLU 108 CO 0.13 -0.29 0.47 0.09 -0.49 0.00 0.00 175.26 175.17 1h53 n ASN 109 N 5.08 -1.00 -0.72 -0.19 3.02 -1.26 -1.28 115.26 118.92 1h53 n ASN 109 Ca -0.08 -1.01 -0.09 0.00 -0.03 0.00 0.00 54.58 53.36 1h53 n ASN 109 Cb 0.50 -3.07 -0.04 0.00 -0.61 0.00 0.00 39.78 36.56 1h53 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h53 n GLY 110 N -1.95 1.04 3.09 7.41 0.00 -1.26 -5.00 105.19 108.52 1h53 n GLY 110 Ca -0.28 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 1h53 n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h53 s LEU 111 N -2.13 2.07 0.02 0.99 1.43 -0.40 -4.83 118.68 115.83 1h53 s LEU 111 Ca 0.00 -0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 52.51 1h53 s LEU 111 Cb 0.00 -0.60 -0.06 0.00 0.03 0.00 0.00 46.19 45.56 1h53 s LEU 111 CO 0.00 0.11 1.34 -2.16 0.23 0.00 0.00 176.35 175.87 1h53 s PRO 112 N -0.53 4.32 0.00 1.29 0.04 -1.26 -0.39 135.00 138.47 1h53 s PRO 112 Ca 0.04 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1h53 s PRO 112 Cb -0.06 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1h53 s PRO 112 CO -0.00 -0.48 0.06 1.33 0.04 0.00 0.00 177.00 177.94 1h53 n VAL 113 N 4.41 0.00 -3.74 -0.36 0.24 0.26 -4.31 118.33 114.83 1h53 n VAL 113 Ca 0.12 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.34 61.85 1h53 n VAL 113 Cb 0.44 1.02 -0.10 0.00 -1.47 0.00 0.00 33.84 33.73 1h53 n VAL 113 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1h53 s HIS 114 N -0.77 -0.36 -0.18 6.34 5.65 -1.17 -4.69 115.29 120.11 1h53 s HIS 114 Ca 0.00 0.83 -0.02 0.00 0.25 0.00 0.00 55.06 56.12 1h53 s HIS 114 Cb 0.00 0.14 -0.01 0.00 -1.18 0.00 0.00 32.58 31.53 1h53 s HIS 114 CO 0.00 -0.26 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.57 1h53 s LEU 115 N -0.22 2.78 -0.78 8.88 2.96 -1.26 -0.98 118.68 130.05 1h53 s LEU 115 Ca -0.04 -0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 53.24 1h53 s LEU 115 Cb -0.03 -1.67 0.04 0.00 0.50 0.00 0.00 46.19 45.02 1h53 s LEU 115 CO 0.02 0.06 1.29 -0.62 -1.32 0.00 0.00 176.35 175.78 1h53 s ASP 116 N 0.96 6.21 0.00 3.68 3.68 -0.40 -4.84 116.67 125.96 1h53 s ASP 116 Ca -0.01 -0.63 0.31 0.00 2.13 0.00 0.00 52.55 54.34 1h53 s ASP 116 Cb -0.15 -2.55 1.74 0.00 -1.45 0.00 0.00 42.92 40.51 1h53 s ASP 116 CO -0.00 -1.77 2.13 0.61 0.13 0.00 0.00 175.17 176.27 1h53 n GLY 117 N 5.60 -1.07 0.37 2.66 0.00 -1.26 -3.82 105.19 107.66 1h53 n GLY 117 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1h53 n GLY 117 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1h53 h SER 118 N 0.00 1.06 0.19 1.61 4.64 -1.95 -1.91 113.55 117.19 1h53 h SER 118 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1h53 h SER 118 Cb 0.09 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1h53 h SER 118 CO 0.00 0.79 0.00 2.30 -0.87 0.00 0.00 176.83 179.05 1h53 n ILE 119 N -4.38 1.23 0.80 0.95 -5.35 -1.25 -2.15 119.36 109.21 1h53 n ILE 119 Ca 0.10 0.31 0.09 0.00 -0.27 0.00 0.00 62.75 62.98 1h53 n ILE 119 Cb 0.04 -1.19 -0.01 0.00 -1.74 0.00 0.00 39.64 36.74 1h53 n ILE 119 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1h53 n PHE 120 N -1.40 0.00 -3.63 4.28 3.72 -0.72 -4.86 117.46 114.85 1h53 n PHE 120 Ca 0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.02 1h53 n PHE 120 Cb 0.07 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.50 1h53 n PHE 120 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1h53 s ARG 121 N -2.13 2.76 -0.88 -1.08 1.70 -0.91 -5.04 118.95 113.37 1h53 s ARG 121 Ca 0.14 -1.13 -0.17 0.00 -0.47 0.00 0.00 55.73 54.10 1h53 s ARG 121 Cb 0.14 -3.69 0.16 0.00 -0.57 0.00 0.00 34.95 31.00 1h53 s ARG 121 CO 0.48 -0.71 0.98 -0.98 -1.08 0.00 0.00 175.30 173.99 1h53 s ARG 122 N 1.52 3.58 0.00 3.89 3.03 -1.26 -5.00 118.95 124.70 1h53 s ARG 122 Ca 0.01 -2.00 0.29 0.00 2.03 0.00 0.00 55.73 56.07 1h53 s ARG 122 Cb -0.19 -4.70 1.33 0.00 -1.03 0.00 0.00 34.95 30.35 1h53 s ARG 122 CO 0.06 -1.58 1.90 -0.35 -1.13 0.00 0.00 175.30 174.19