#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh5 s ASP 7 N 0.00 3.82 0.59 -2.13 -1.08 -1.26 -4.98 116.67 111.62 1sh5 s ASP 7 Ca 0.00 -0.49 0.29 0.00 -0.52 0.00 0.00 52.55 51.82 1sh5 s ASP 7 Cb 0.00 -1.63 1.72 0.00 -1.46 0.00 0.00 42.92 41.55 1sh5 s ASP 7 CO 0.00 -0.00 2.18 -0.08 0.52 0.00 0.00 175.17 177.79 1sh5 h GLU 8 N 7.96 0.00 0.00 4.34 4.81 -2.01 -0.81 114.58 128.87 1sh5 h GLU 8 Ca -0.42 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1sh5 h GLU 8 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1sh5 h GLU 8 CO 0.61 0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.83 1sh5 h ARG 9 N 0.00 0.00 -0.06 1.92 -0.00 -1.94 -1.17 114.38 113.13 1sh5 h ARG 9 Ca 0.04 0.00 -0.11 0.00 -0.50 0.00 0.00 59.98 59.41 1sh5 h ARG 9 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.19 1sh5 h ARG 9 CO -0.00 0.06 -0.49 -0.44 0.00 0.00 0.00 179.97 179.11 1sh5 h ASP 10 N 0.00 0.16 -0.36 7.04 3.45 -1.57 -0.41 116.42 124.72 1sh5 h ASP 10 Ca -0.00 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.34 1sh5 h ASP 10 Cb 0.12 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1sh5 h ASP 10 CO 0.01 0.62 0.04 -0.09 -1.57 0.00 0.00 179.24 178.24 1sh5 h ARG 11 N 0.12 0.62 -0.49 3.56 2.43 -1.34 -2.34 114.38 116.93 1sh5 h ARG 11 Ca 0.00 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 1sh5 h ARG 11 Cb 0.90 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1sh5 h ARG 11 CO 0.07 0.70 0.09 0.28 -1.51 0.00 0.00 179.97 179.60 1sh5 h VAL 12 N 0.45 1.25 -0.39 0.20 2.07 -1.20 -2.00 116.25 116.62 1sh5 h VAL 12 Ca 0.11 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1sh5 h VAL 12 Cb 0.40 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1sh5 h VAL 12 CO 0.01 0.32 0.24 -0.61 0.02 0.00 0.00 177.57 177.56 1sh5 h GLN 13 N 0.69 0.53 -0.39 1.57 4.15 -1.05 -0.22 115.11 120.39 1sh5 h GLN 13 Ca 0.15 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.56 1sh5 h GLN 13 Cb 0.38 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1sh5 h GLN 13 CO 0.01 0.38 0.19 -0.22 -1.93 0.00 0.00 178.83 177.26 1sh5 h LYS 14 N 0.52 0.38 -0.69 1.69 3.64 -1.34 -0.95 116.57 119.82 1sh5 h LYS 14 Ca 0.14 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1sh5 h LYS 14 Cb -0.01 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 1sh5 h LYS 14 CO -0.03 0.25 0.40 -0.22 -2.27 0.00 0.00 179.45 177.59 1sh5 h LYS 15 N 0.39 0.73 -0.36 1.90 3.64 -0.88 -0.59 116.57 121.40 1sh5 h LYS 15 Ca 0.16 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1sh5 h LYS 15 Cb 0.07 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1sh5 h LYS 15 CO -0.11 0.48 -0.07 1.15 -2.27 0.00 0.00 179.45 178.63 1sh5 h THR 16 N 0.75 1.27 -0.26 1.00 2.02 -0.79 -1.41 112.91 115.49 1sh5 h THR 16 Ca 0.30 -1.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 1sh5 h THR 16 Cb 0.14 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1sh5 h THR 16 CO -0.16 0.37 -0.32 -0.26 0.37 0.00 0.00 175.52 175.53 1sh5 h PHE 17 N 0.49 0.63 -0.05 3.16 0.04 -1.14 -0.61 116.94 119.46 1sh5 h PHE 17 Ca 0.09 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1sh5 h PHE 17 Cb 0.57 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 1sh5 h PHE 17 CO 0.05 0.80 0.03 1.15 -0.60 0.00 0.00 178.31 179.74 1sh5 h THR 18 N 0.47 1.04 -0.86 -1.55 2.02 -0.79 -1.11 112.91 112.13 1sh5 h THR 18 Ca 0.06 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1sh5 h THR 18 Cb 0.78 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1sh5 h THR 18 CO 0.06 0.03 0.57 0.11 0.37 0.00 0.00 175.52 176.66 1sh5 h LYS 19 N 0.04 1.11 -0.07 6.66 1.57 -1.09 0.34 116.57 125.14 1sh5 h LYS 19 Ca 0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1sh5 h LYS 19 Cb 0.03 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 1sh5 h LYS 19 CO -0.00 0.74 0.01 2.35 -0.57 0.00 0.00 179.45 181.98 1sh5 h TRP 20 N 1.15 0.13 -0.39 -1.35 7.01 -0.79 -1.87 115.95 119.83 1sh5 h TRP 20 Ca 0.32 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.29 1sh5 h TRP 20 Cb -0.11 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 1sh5 h TRP 20 CO -0.00 0.32 0.21 0.28 -2.79 0.00 0.00 178.44 176.46 1sh5 h VAL 21 N -0.11 1.16 -0.88 2.65 2.07 -1.00 -3.03 116.25 117.11 1sh5 h VAL 21 Ca 0.02 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1sh5 h VAL 21 Cb 0.26 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1sh5 h VAL 21 CO 0.00 0.17 0.58 0.78 0.02 0.00 0.00 177.57 179.12 1sh5 h ASN 22 N 0.50 1.00 -0.93 0.57 2.35 -0.85 -0.86 115.58 117.36 1sh5 h ASN 22 Ca 0.14 -0.02 0.13 0.00 -0.55 0.00 0.00 56.30 56.00 1sh5 h ASN 22 Cb 0.08 -0.25 -0.08 0.00 0.05 0.00 0.00 38.32 38.12 1sh5 h ASN 22 CO -0.02 0.72 0.60 0.50 -1.65 0.00 0.00 177.43 177.58 1sh5 h LYS 23 N 1.18 0.79 0.18 0.81 3.64 -1.23 -2.86 116.57 119.09 1sh5 h LYS 23 Ca 0.32 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.42 1sh5 h LYS 23 Cb -0.12 -0.18 0.03 0.00 -0.41 0.00 0.00 32.23 31.55 1sh5 h LYS 23 CO -0.07 0.53 -1.03 0.45 -2.27 0.00 0.00 179.45 177.05 1sh5 h HIS 24 N 0.82 0.70 -0.13 1.91 3.86 -1.30 -3.36 115.15 117.66 1sh5 h HIS 24 Ca 0.47 -0.51 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1sh5 h HIS 24 Cb 0.62 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1sh5 h HIS 24 CO -0.00 1.39 -0.07 -0.07 0.86 0.00 0.00 177.93 180.04 1sh5 h LEU 25 N -0.19 0.17 -1.48 2.43 3.38 -1.03 -1.33 115.31 117.26 1sh5 h LEU 25 Ca -0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sh5 h LEU 25 Cb 1.81 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1sh5 h LEU 25 CO 0.19 0.27 0.00 0.16 0.09 0.00 0.00 178.44 179.16 1sh5 h ILE 26 N 0.18 0.00 -0.00 1.22 3.07 -1.65 -2.60 117.51 117.73 1sh5 h ILE 26 Ca 0.04 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1sh5 h ILE 26 Cb 0.25 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.23 1sh5 h ILE 26 CO 0.01 0.00 -0.06 0.29 -1.05 0.00 0.00 178.15 177.34 1sh5 n LYS 27 N -3.01 0.50 -1.71 0.16 5.02 -0.50 -4.95 118.16 113.66 1sh5 n LYS 27 Ca 0.01 -0.09 -0.39 0.00 -2.02 0.00 0.00 58.31 55.82 1sh5 n LYS 27 Cb 0.29 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.84 1sh5 n LYS 27 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1sh5 n HIS 28 N -1.17 1.94 0.13 2.13 -0.00 -0.98 -4.91 115.22 112.36 1sh5 n HIS 28 Ca 0.14 0.45 0.00 0.00 0.46 0.00 0.00 57.72 58.76 1sh5 n HIS 28 Cb 0.26 -2.31 0.06 0.00 -0.12 0.00 0.00 29.99 27.88 1sh5 n HIS 28 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 1sh5 h TRP 29 N 1.29 0.00 -3.36 1.57 0.09 -1.92 -3.43 115.95 110.19 1sh5 h TRP 29 Ca -0.50 0.00 -0.57 0.00 0.09 0.00 0.00 58.89 57.91 1sh5 h TRP 29 Cb 1.32 0.00 -0.07 0.00 0.08 0.00 0.00 29.16 30.48 1sh5 h TRP 29 CO 0.44 0.63 0.01 1.03 0.09 0.00 0.00 178.44 180.64 1sh5 s ARG 30 N -3.07 4.35 0.22 0.12 0.52 -1.26 -4.97 118.95 114.86 1sh5 s ARG 30 Ca 0.02 0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 55.83 1sh5 s ARG 30 Cb 0.09 -3.48 0.19 0.00 0.52 0.00 0.00 34.95 32.28 1sh5 s ARG 30 CO 0.76 0.02 1.70 0.00 0.02 0.00 0.00 175.30 177.80 1sh5 h ALA 31 N 6.93 0.97 0.00 2.13 0.00 -1.99 -0.92 119.26 126.37 1sh5 h ALA 31 Ca -0.39 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1sh5 h ALA 31 Cb 1.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1sh5 h ALA 31 CO 0.76 0.63 0.00 -0.85 0.00 0.00 0.00 179.25 179.79 1sh5 n GLU 32 N -4.20 0.18 0.00 0.00 0.00 -1.26 -2.29 120.64 113.07 1sh5 n GLU 32 Ca 0.03 0.51 0.12 0.00 0.00 0.00 0.00 57.16 57.83 1sh5 n GLU 32 Cb 0.32 -1.92 0.29 0.00 0.00 0.00 0.00 31.44 30.13 1sh5 n GLU 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sh5 n ALA 33 N -1.79 3.42 -1.92 -1.84 0.00 -0.36 -4.65 120.51 113.38 1sh5 n ALA 33 Ca 0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1sh5 n ALA 33 Cb 0.16 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1sh5 n ALA 33 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1sh5 n GLN 34 N -1.40 2.95 -3.38 0.00 6.02 -0.97 -4.86 117.38 115.74 1sh5 n GLN 34 Ca 0.06 -2.77 -0.20 0.00 -0.01 0.00 0.00 57.00 54.08 1sh5 n GLN 34 Cb 0.34 -3.32 -0.01 0.00 1.02 0.00 0.00 30.24 28.27 1sh5 n GLN 34 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1sh5 s ARG 35 N 3.29 2.58 -0.07 -1.09 0.52 -1.26 -4.90 118.95 118.03 1sh5 s ARG 35 Ca 0.48 -1.50 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1sh5 s ARG 35 Cb 0.12 -2.49 0.01 0.00 0.52 0.00 0.00 34.95 33.10 1sh5 s ARG 35 CO -0.05 -0.31 -0.16 -1.58 0.02 0.00 0.00 175.30 173.22 1sh5 s HIS 36 N -2.48 1.79 -0.15 -0.53 5.65 -1.26 -4.60 115.29 113.71 1sh5 s HIS 36 Ca 0.50 -0.65 -0.29 0.00 0.25 0.00 0.00 55.06 54.87 1sh5 s HIS 36 Cb -0.05 -1.25 -0.01 0.00 -1.18 0.00 0.00 32.58 30.09 1sh5 s HIS 36 CO 0.30 -0.29 1.06 0.42 -0.65 0.00 0.00 174.74 175.58 1sh5 s ILE 37 N 0.45 4.64 -0.19 0.89 -1.09 -1.26 -4.94 121.20 119.70 1sh5 s ILE 37 Ca -0.13 1.94 -0.14 0.00 -2.23 0.00 0.00 60.65 60.08 1sh5 s ILE 37 Cb -0.15 -4.25 -0.20 0.00 -1.58 0.00 0.00 42.46 36.27 1sh5 s ILE 37 CO 0.05 -0.07 0.16 -1.20 -1.23 0.00 0.00 174.94 172.64 1sh5 n SER 38 N 5.63 1.96 -3.80 3.58 7.64 -1.26 -4.90 113.62 122.48 1sh5 n SER 38 Ca 0.11 0.31 -0.24 0.00 1.01 0.00 0.00 58.87 60.05 1sh5 n SER 38 Cb 0.47 -0.88 -0.17 0.00 -1.01 0.00 0.00 64.21 62.62 1sh5 n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1sh5 s ASP 39 N -6.98 1.75 0.57 6.43 -1.08 -1.26 -5.02 116.67 111.08 1sh5 s ASP 39 Ca -0.29 -0.15 0.29 0.00 -0.52 0.00 0.00 52.55 51.89 1sh5 s ASP 39 Cb 0.07 -0.54 1.71 0.00 -1.46 0.00 0.00 42.92 42.70 1sh5 s ASP 39 CO 0.63 -0.18 2.20 0.25 0.52 0.00 0.00 175.17 178.60 1sh5 h LEU 40 N 8.29 0.00 -1.43 -1.34 5.85 -1.91 -0.02 115.31 124.74 1sh5 h LEU 40 Ca -0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1sh5 h LEU 40 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1sh5 h LEU 40 CO 0.30 0.04 0.00 -1.22 -0.34 0.00 0.00 178.44 177.21 1sh5 n TYR 41 N -3.80 0.18 -0.04 1.25 0.53 -1.26 -4.11 117.16 109.92 1sh5 n TYR 41 Ca -0.03 -0.09 -0.05 0.00 -1.02 0.00 0.00 57.90 56.71 1sh5 n TYR 41 Cb 0.13 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.40 1sh5 n TYR 41 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 1sh5 n GLU 42 N 0.67 0.27 -0.00 -0.72 -0.58 -0.31 -4.49 120.64 115.47 1sh5 n GLU 42 Ca 0.17 0.04 0.15 0.00 -0.42 0.00 0.00 57.16 57.11 1sh5 n GLU 42 Cb 0.43 -1.15 0.80 0.00 -0.57 0.00 0.00 31.44 30.94 1sh5 n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1sh5 n ASP 43 N -2.71 0.48 -0.50 1.62 8.00 -0.18 -2.38 116.55 120.88 1sh5 n ASP 43 Ca -0.14 -1.18 0.09 0.00 0.71 0.00 0.00 54.79 54.27 1sh5 n ASP 43 Cb 0.65 -0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.77 1sh5 n ASP 43 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sh5 n LEU 44 N -0.62 1.98 -0.07 0.64 4.77 -1.26 -4.51 117.00 117.93 1sh5 n LEU 44 Ca 0.22 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1sh5 n LEU 44 Cb 0.19 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.57 1sh5 n LEU 44 CO 0.17 0.36 1.06 0.03 -1.33 0.00 0.00 177.39 177.69 1sh5 h ARG 45 N 2.47 0.69 -0.02 3.23 3.08 -1.66 -2.41 114.38 119.77 1sh5 h ARG 45 Ca 0.00 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1sh5 h ARG 45 Cb 0.64 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1sh5 h ARG 45 CO 0.00 0.57 0.00 -0.40 -1.07 0.00 0.00 179.97 179.07 1sh5 n ASP 46 N -4.35 0.94 0.00 7.04 5.68 -1.26 -4.21 116.55 120.39 1sh5 n ASP 46 Ca 0.04 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1sh5 n ASP 46 Cb 0.15 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 1sh5 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sh5 n GLY 47 N 1.10 2.97 0.22 6.12 0.00 -0.91 -4.58 105.19 110.10 1sh5 n GLY 47 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1sh5 n GLY 47 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1sh5 h HIS 48 N 0.00 0.68 0.00 1.61 3.86 -1.90 -1.36 115.15 118.04 1sh5 h HIS 48 Ca 0.00 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.07 1sh5 h HIS 48 Cb 0.00 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 1sh5 h HIS 48 CO 0.00 0.51 -0.58 -0.91 0.86 0.00 0.00 177.93 177.80 1sh5 h ASN 49 N 0.66 0.00 -0.36 2.45 2.35 -1.89 -1.04 115.58 117.75 1sh5 h ASN 49 Ca 0.17 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.80 1sh5 h ASN 49 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1sh5 h ASN 49 CO -0.03 0.58 -0.25 0.25 -1.65 0.00 0.00 177.43 176.33 1sh5 h LEU 50 N 0.00 0.89 -0.15 1.61 5.85 -1.79 -0.97 115.31 120.75 1sh5 h LEU 50 Ca -0.01 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 1sh5 h LEU 50 Cb 1.13 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.92 1sh5 h LEU 50 CO 0.08 1.09 -0.26 0.40 -0.34 0.00 0.00 178.44 179.41 1sh5 h ILE 51 N 0.74 1.36 -0.91 4.05 2.04 -1.00 -2.30 117.51 121.49 1sh5 h ILE 51 Ca 0.09 -1.51 0.07 0.00 1.00 0.00 0.00 64.86 64.51 1sh5 h ILE 51 Cb 0.80 1.98 -0.07 0.00 -0.74 0.00 0.00 36.82 38.80 1sh5 h ILE 51 CO 0.07 0.45 0.57 0.28 0.00 0.00 0.00 178.15 179.52 1sh5 h SER 52 N 0.05 0.90 -0.61 1.72 0.02 -1.15 -0.32 113.55 114.17 1sh5 h SER 52 Ca 0.01 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1sh5 h SER 52 Cb 0.85 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.18 1sh5 h SER 52 CO 0.06 0.56 0.36 0.25 -1.14 0.00 0.00 176.83 176.93 1sh5 h LEU 53 N 1.03 0.58 -0.58 5.07 5.85 -1.04 -1.62 115.31 124.59 1sh5 h LEU 53 Ca 0.40 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.98 1sh5 h LEU 53 Cb 0.20 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1sh5 h LEU 53 CO -0.18 0.40 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.74 1sh5 h LEU 54 N 0.71 0.57 -0.42 2.25 4.07 -0.68 -1.34 115.31 120.46 1sh5 h LEU 54 Ca 0.25 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1sh5 h LEU 54 Cb 0.05 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1sh5 h LEU 54 CO -0.12 0.98 0.27 -0.33 -1.08 0.00 0.00 178.44 178.17 1sh5 h GLU 55 N 0.41 0.56 -0.47 1.13 5.08 -0.59 -2.06 114.58 118.63 1sh5 h GLU 55 Ca 0.02 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1sh5 h GLU 55 Cb 1.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1sh5 h GLU 55 CO 0.09 0.38 0.05 0.28 -1.00 0.00 0.00 179.01 178.82 1sh5 h VAL 56 N 0.57 1.25 -0.31 3.13 2.07 -1.17 0.27 116.25 122.07 1sh5 h VAL 56 Ca 0.15 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 1sh5 h VAL 56 Cb -0.05 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1sh5 h VAL 56 CO -0.03 0.34 -0.16 -0.07 0.02 0.00 0.00 177.57 177.66 1sh5 h LEU 57 N 0.66 0.54 0.00 2.57 3.38 -1.19 -3.33 115.31 117.95 1sh5 h LEU 57 Ca 0.14 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1sh5 h LEU 57 Cb 0.42 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1sh5 h LEU 57 CO 0.01 0.72 -1.99 -1.54 0.09 0.00 0.00 178.44 175.74 1sh5 n SER 58 N -4.17 0.78 0.00 -0.43 3.41 -0.78 -4.99 113.62 107.43 1sh5 n SER 58 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1sh5 n SER 58 Cb 0.36 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1sh5 n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sh5 n GLY 59 N 1.67 0.95 3.85 5.00 0.00 0.94 -5.03 105.19 112.57 1sh5 n GLY 59 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 1sh5 n GLY 59 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sh5 s ASP 60 N -2.87 6.59 0.17 1.61 1.01 -1.24 -5.01 116.67 116.93 1sh5 s ASP 60 Ca 0.00 1.45 -0.14 0.00 0.71 0.00 0.00 52.55 54.58 1sh5 s ASP 60 Cb 0.00 -2.46 -0.07 0.00 1.01 0.00 0.00 42.92 41.40 1sh5 s ASP 60 CO 0.00 -0.55 0.57 -0.44 0.21 0.00 0.00 175.17 174.96 1sh5 s SER 61 N -3.13 6.81 0.13 0.27 0.01 -1.26 -4.28 113.70 112.25 1sh5 s SER 61 Ca 0.57 1.09 0.06 0.00 1.31 0.00 0.00 55.95 58.97 1sh5 s SER 61 Cb -0.10 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1sh5 s SER 61 CO 0.32 0.06 -0.13 -0.76 0.41 0.00 0.00 173.24 173.14 1sh5 s LEU 62 N -2.13 2.45 0.65 2.44 1.43 -1.26 -5.08 118.68 117.18 1sh5 s LEU 62 Ca 0.40 -0.87 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 1sh5 s LEU 62 Cb -0.14 -0.50 -0.02 0.00 0.03 0.00 0.00 46.19 45.56 1sh5 s LEU 62 CO 0.19 -0.19 1.05 -2.16 0.23 0.00 0.00 176.35 175.47 1sh5 s PRO 63 N -3.00 3.22 0.04 1.29 0.04 -1.26 -5.08 135.00 130.25 1sh5 s PRO 63 Ca 0.12 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 61.94 1sh5 s PRO 63 Cb -0.03 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1sh5 s PRO 63 CO 0.03 -0.88 0.39 -0.98 0.04 0.00 0.00 177.00 175.60 1sh5 s ARG 64 N -4.82 0.89 0.02 4.56 1.70 -1.26 -4.99 118.95 115.05 1sh5 s ARG 64 Ca 0.58 -0.38 -0.20 0.00 -0.47 0.00 0.00 55.73 55.26 1sh5 s ARG 64 Cb -0.13 0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.58 1sh5 s ARG 64 CO 0.50 -0.30 0.60 -1.21 -1.08 0.00 0.00 175.30 173.80 1sh5 s GLU 65 N -2.44 4.30 0.00 3.89 0.41 -1.26 -4.99 118.70 118.60 1sh5 s GLU 65 Ca -0.06 0.75 0.24 0.00 -0.41 0.00 0.00 54.97 55.49 1sh5 s GLU 65 Cb -0.01 -3.32 0.23 0.00 -1.78 0.00 0.00 34.13 29.25 1sh5 s GLU 65 CO -0.02 0.43 1.26 0.36 -0.49 0.00 0.00 175.26 176.80 1sh5 n LYS 66 N 2.48 1.68 -0.99 1.61 2.85 -1.26 -4.97 118.16 119.55 1sh5 n LYS 66 Ca -0.08 -1.33 -0.29 0.00 -1.05 0.00 0.00 58.31 55.56 1sh5 n LYS 66 Cb 0.51 -1.47 0.23 0.00 -0.65 0.00 0.00 35.03 33.64 1sh5 n LYS 66 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1sh5 s GLY 67 N -2.24 1.55 0.00 2.58 0.00 -1.26 -5.01 107.32 102.94 1sh5 s GLY 67 Ca 0.25 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.31 1sh5 s GLY 67 CO 0.44 0.12 0.57 0.54 0.00 0.00 0.00 173.10 174.76 1sh5 n ARG 68 N -4.68 -0.68 -1.78 2.90 1.74 -1.26 -4.77 116.66 108.13 1sh5 n ARG 68 Ca 0.09 -0.63 -0.30 0.00 -0.77 0.00 0.00 57.85 56.24 1sh5 n ARG 68 Cb 0.58 -1.04 0.06 0.00 -1.02 0.00 0.00 32.46 31.05 1sh5 n ARG 68 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1sh5 s MET 69 N -0.17 2.63 0.39 5.56 -1.94 -1.26 -4.94 119.30 119.57 1sh5 s MET 69 Ca 0.02 0.52 0.15 0.00 -1.71 0.00 0.00 55.69 54.67 1sh5 s MET 69 Cb 0.02 -1.99 0.99 0.00 2.01 0.00 0.00 34.83 35.86 1sh5 s MET 69 CO 0.02 -1.21 1.84 -0.09 -0.01 0.00 0.00 175.02 175.57 1sh5 h ARG 70 N -0.79 0.49 -0.34 2.03 2.43 -2.00 -1.49 114.38 114.72 1sh5 h ARG 70 Ca -0.46 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.66 1sh5 h ARG 70 Cb 1.26 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1sh5 h ARG 70 CO 0.62 0.32 0.11 0.74 -1.51 0.00 0.00 179.97 180.25 1sh5 h PHE 71 N 0.50 0.54 -0.66 2.20 -1.00 -1.99 -0.13 116.94 116.40 1sh5 h PHE 71 Ca 0.49 -0.05 0.02 0.00 2.81 0.00 0.00 57.97 61.23 1sh5 h PHE 71 Cb 1.08 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 40.45 1sh5 h PHE 71 CO -0.00 0.53 0.43 0.45 -1.61 0.00 0.00 178.31 178.11 1sh5 h HIS 72 N 0.39 0.80 -0.17 -0.55 3.86 -1.59 -2.40 115.15 115.49 1sh5 h HIS 72 Ca 0.11 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.19 1sh5 h HIS 72 Cb 0.24 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1sh5 h HIS 72 CO 0.01 0.49 -0.48 0.87 0.86 0.00 0.00 177.93 179.68 1sh5 h LYS 73 N 0.85 0.62 -0.46 2.45 1.57 -1.17 -1.49 116.57 118.94 1sh5 h LYS 73 Ca 0.25 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1sh5 h LYS 73 Cb -0.05 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1sh5 h LYS 73 CO -0.06 1.06 0.09 -0.07 -0.57 0.00 0.00 179.45 179.90 1sh5 h LEU 74 N 0.29 0.66 -0.15 2.94 3.38 -0.94 -1.98 115.31 119.51 1sh5 h LEU 74 Ca -0.01 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1sh5 h LEU 74 Cb 1.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1sh5 h LEU 74 CO 0.10 0.67 -0.27 1.56 0.09 0.00 0.00 178.44 180.59 1sh5 h GLN 75 N 0.68 0.45 -0.74 1.13 1.08 -1.35 -0.74 115.11 115.62 1sh5 h GLN 75 Ca 0.15 -0.28 0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1sh5 h GLN 75 Cb 0.29 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.70 1sh5 h GLN 75 CO 0.00 0.88 0.44 -0.91 -0.95 0.00 0.00 178.83 178.29 1sh5 h ASN 76 N 0.07 0.66 -0.63 1.46 -0.26 -1.05 0.16 115.58 116.00 1sh5 h ASN 76 Ca 0.01 0.03 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1sh5 h ASN 76 Cb 0.86 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.99 1sh5 h ASN 76 CO 0.06 0.42 0.14 0.58 -1.06 0.00 0.00 177.43 177.58 1sh5 h VAL 77 N 0.80 1.26 -0.39 2.81 2.07 -1.32 -2.58 116.25 118.90 1sh5 h VAL 77 Ca 0.33 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1sh5 h VAL 77 Cb 0.19 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1sh5 h VAL 77 CO -0.18 0.35 0.09 -0.61 0.02 0.00 0.00 177.57 177.24 1sh5 h GLN 78 N 0.92 0.62 -0.84 1.57 5.75 -0.42 -0.73 115.11 121.98 1sh5 h GLN 78 Ca 0.20 -0.15 0.18 0.00 -0.15 0.00 0.00 58.65 58.72 1sh5 h GLN 78 Cb 0.37 -0.08 -0.11 0.00 1.07 0.00 0.00 27.48 28.73 1sh5 h GLN 78 CO 0.00 0.66 0.37 0.82 -2.65 0.00 0.00 178.83 178.03 1sh5 h ILE 79 N 0.48 0.58 -0.28 2.39 2.04 -0.50 0.81 117.51 123.04 1sh5 h ILE 79 Ca 0.12 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1sh5 h ILE 79 Cb 0.32 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1sh5 h ILE 79 CO 0.00 0.08 0.01 0.00 0.00 0.00 0.00 178.15 178.25 1sh5 h ALA 80 N 1.63 0.37 -0.08 1.87 0.00 -0.99 -1.08 119.26 120.98 1sh5 h ALA 80 Ca 0.49 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1sh5 h ALA 80 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1sh5 h ALA 80 CO -0.46 0.10 -0.47 -0.07 0.00 0.00 0.00 179.25 178.35 1sh5 h LEU 81 N 0.27 0.20 -0.36 0.00 3.38 -0.72 -1.99 115.31 116.09 1sh5 h LEU 81 Ca 0.08 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1sh5 h LEU 81 Cb 0.41 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1sh5 h LEU 81 CO 0.01 0.65 -0.47 0.44 0.09 0.00 0.00 178.44 179.16 1sh5 h ASP 82 N 0.15 0.97 -0.39 -0.43 3.32 -0.75 -0.85 116.42 118.44 1sh5 h ASP 82 Ca 0.01 -0.48 0.06 0.00 0.02 0.00 0.00 57.03 56.63 1sh5 h ASP 82 Cb 0.89 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 1sh5 h ASP 82 CO 0.07 1.28 0.10 0.22 -1.72 0.00 0.00 179.24 179.19 1sh5 h TYR 83 N 0.71 0.16 -0.51 4.55 3.20 -1.06 0.03 116.97 124.05 1sh5 h TYR 83 Ca 0.04 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1sh5 h TYR 83 Cb 1.07 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 1sh5 h TYR 83 CO 0.07 0.04 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.54 1sh5 h LEU 84 N 0.23 0.90 -0.51 2.82 3.38 -1.10 -2.45 115.31 118.58 1sh5 h LEU 84 Ca 0.19 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1sh5 h LEU 84 Cb 0.21 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1sh5 h LEU 84 CO -0.23 1.00 0.27 0.03 0.09 0.00 0.00 178.44 179.60 1sh5 h ARG 85 N 0.78 0.72 0.00 1.13 3.08 -0.53 -2.04 114.38 117.52 1sh5 h ARG 85 Ca 0.14 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1sh5 h ARG 85 Cb 0.55 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1sh5 h ARG 85 CO 0.03 0.57 0.00 1.25 -1.07 0.00 0.00 179.97 180.75 1sh5 h HIS 86 N 0.68 0.00 -0.54 3.04 2.76 -0.83 0.47 115.15 120.73 1sh5 h HIS 86 Ca 0.18 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1sh5 h HIS 86 Cb 0.06 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1sh5 h HIS 86 CO -0.01 0.00 0.00 0.54 -1.30 0.00 0.00 177.93 177.16 1sh5 n ARG 87 N -2.76 4.20 -1.75 5.26 1.74 -0.82 -4.97 116.66 117.57 1sh5 n ARG 87 Ca -0.02 -2.76 -0.19 0.00 -0.77 0.00 0.00 57.85 54.12 1sh5 n ARG 87 Cb 0.10 -2.09 -0.06 0.00 -1.02 0.00 0.00 32.46 29.39 1sh5 n ARG 87 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1sh5 n GLN 88 N 0.70 -1.36 -2.43 5.56 6.02 0.17 -4.99 117.38 121.04 1sh5 n GLN 88 Ca 0.24 1.10 -0.39 0.00 -0.01 0.00 0.00 57.00 57.94 1sh5 n GLN 88 Cb 1.02 -5.46 -0.04 0.00 1.02 0.00 0.00 30.24 26.78 1sh5 n GLN 88 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1sh5 s VAL 89 N -2.76 3.42 -0.49 5.09 1.01 -0.89 -4.99 120.40 120.80 1sh5 s VAL 89 Ca 0.00 1.34 -0.17 0.00 0.00 0.00 0.00 61.98 63.15 1sh5 s VAL 89 Cb 0.00 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1sh5 s VAL 89 CO 0.00 0.25 0.50 -0.54 0.00 0.00 0.00 175.10 175.31 1sh5 s LYS 90 N -1.77 3.04 -0.30 2.72 3.01 -1.26 -4.42 119.74 120.76 1sh5 s LYS 90 Ca 0.49 -1.15 -0.05 0.00 -1.01 0.00 0.00 55.97 54.25 1sh5 s LYS 90 Cb -0.31 -4.12 0.03 0.00 -1.01 0.00 0.00 37.83 32.42 1sh5 s LYS 90 CO 0.39 -1.12 0.05 -0.51 0.51 0.00 0.00 175.35 174.68 1sh5 s LEU 91 N 2.08 3.91 0.03 3.17 1.02 -1.26 -5.07 118.68 122.56 1sh5 s LEU 91 Ca 0.09 -0.98 0.08 0.00 0.02 0.00 0.00 54.13 53.33 1sh5 s LEU 91 Cb -0.22 -1.81 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 1sh5 s LEU 91 CO 0.09 -0.24 -0.23 0.54 0.02 0.00 0.00 176.35 176.53 1sh5 s VAL 92 N 1.39 1.81 -1.93 -1.59 0.11 -1.26 -4.74 120.40 114.19 1sh5 s VAL 92 Ca -0.01 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1sh5 s VAL 92 Cb -0.18 -1.54 0.00 0.00 -1.53 0.00 0.00 36.38 33.13 1sh5 s VAL 92 CO 0.01 0.33 0.00 0.59 -3.33 0.00 0.00 175.10 172.70 1sh5 n ASN 93 N 2.04 -5.20 -4.19 3.54 5.03 -1.26 -4.96 115.26 110.26 1sh5 n ASN 93 Ca -0.17 0.44 -0.34 0.00 0.87 0.00 0.00 54.58 55.39 1sh5 n ASN 93 Cb 0.53 -4.30 -0.15 0.00 -1.02 0.00 0.00 39.78 34.83 1sh5 n ASN 93 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1sh5 s ILE 94 N -2.68 2.58 0.36 2.41 1.01 -1.26 -5.08 121.20 118.53 1sh5 s ILE 94 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.91 1sh5 s ILE 94 Cb 0.00 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 1sh5 s ILE 94 CO 0.00 0.45 0.12 0.00 0.00 0.00 0.00 174.94 175.51 1sh5 s ARG 95 N 1.35 2.27 0.46 2.79 1.70 -1.26 -5.02 118.95 121.24 1sh5 s ARG 95 Ca 0.04 -1.67 0.14 0.00 -0.47 0.00 0.00 55.73 53.77 1sh5 s ARG 95 Cb -0.14 -2.07 1.07 0.00 -0.57 0.00 0.00 34.95 33.23 1sh5 s ARG 95 CO -0.09 0.06 2.05 -2.95 -1.08 0.00 0.00 175.30 173.30 1sh5 h ASN 96 N 1.57 0.08 -0.45 -2.89 -1.07 -1.94 -1.66 115.58 109.22 1sh5 h ASN 96 Ca -0.43 -0.01 -0.07 0.00 0.07 0.00 0.00 56.30 55.86 1sh5 h ASN 96 Cb 1.25 -0.02 -0.02 0.00 -2.07 0.00 0.00 38.32 37.46 1sh5 h ASN 96 CO 0.66 0.15 0.03 0.44 0.07 0.00 0.00 177.43 178.78 1sh5 h ASP 97 N 0.09 0.81 -0.86 6.14 5.19 -1.95 -0.93 116.42 124.91 1sh5 h ASP 97 Ca 0.02 -0.19 0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1sh5 h ASP 97 Cb 0.15 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.40 1sh5 h ASP 97 CO 0.01 0.86 0.57 0.44 -3.12 0.00 0.00 179.24 178.00 1sh5 h ASP 98 N 0.80 0.96 0.21 6.45 3.32 -1.70 0.54 116.42 127.00 1sh5 h ASP 98 Ca 0.16 -0.02 -0.30 0.00 0.02 0.00 0.00 57.03 56.89 1sh5 h ASP 98 Cb 0.44 -0.23 0.03 0.00 0.22 0.00 0.00 39.33 39.79 1sh5 h ASP 98 CO 0.02 0.68 -1.30 0.40 -1.72 0.00 0.00 179.24 177.32 1sh5 h ILE 99 N 1.12 1.33 0.00 0.35 1.08 -1.46 -1.41 117.51 118.52 1sh5 h ILE 99 Ca 0.33 -2.61 -0.02 0.00 -0.39 0.00 0.00 64.86 62.16 1sh5 h ILE 99 Cb -0.06 3.01 -0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1sh5 h ILE 99 CO -0.09 0.78 -0.10 0.00 -0.69 0.00 0.00 178.15 178.05 1sh5 h ALA 100 N 0.16 1.74 -0.00 1.87 0.00 -1.01 -2.66 119.26 119.35 1sh5 h ALA 100 Ca -0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1sh5 h ALA 100 Cb 2.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1sh5 h ALA 100 CO 0.24 0.13 -0.47 -0.25 0.00 0.00 0.00 179.25 178.90 1sh5 n ASP 101 N -4.29 0.92 0.00 0.00 8.00 0.17 -4.80 116.55 116.55 1sh5 n ASP 101 Ca -0.03 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1sh5 n ASP 101 Cb 0.18 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1sh5 n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sh5 n GLY 102 N 1.43 0.79 3.64 0.44 0.00 -1.00 -4.99 105.19 105.50 1sh5 n GLY 102 Ca 0.08 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1sh5 n GLY 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sh5 s ASN 103 N -2.68 6.12 0.09 1.61 3.04 -0.55 -4.89 114.94 117.68 1sh5 s ASN 103 Ca 0.00 2.34 -0.31 0.00 0.04 0.00 0.00 52.86 54.93 1sh5 s ASN 103 Cb 0.00 -2.52 -0.15 0.00 -1.54 0.00 0.00 41.25 37.04 1sh5 s ASN 103 CO 0.00 -1.36 1.63 -0.65 -3.04 0.00 0.00 177.10 173.67 1sh5 h PRO 104 N 12.06 -0.70 -0.79 0.43 0.11 -1.94 -0.99 132.00 140.17 1sh5 h PRO 104 Ca -0.45 0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1sh5 h PRO 104 Cb 1.23 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.46 1sh5 h PRO 104 CO 0.95 -0.47 0.39 -0.22 -0.21 0.00 0.00 178.00 178.44 1sh5 h LYS 105 N -0.72 1.13 0.00 1.05 3.64 -1.99 -1.31 116.57 118.37 1sh5 h LYS 105 Ca -0.04 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.03 1sh5 h LYS 105 Cb 0.62 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1sh5 h LYS 105 CO 0.01 0.87 -0.71 -0.07 -2.27 0.00 0.00 179.45 177.27 1sh5 h LEU 106 N 1.13 0.00 -0.07 5.20 3.38 -1.92 -1.99 115.31 121.04 1sh5 h LEU 106 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1sh5 h LEU 106 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1sh5 h LEU 106 CO -0.04 0.71 -0.01 0.74 0.09 0.00 0.00 178.44 179.93 1sh5 h THR 107 N 0.00 1.28 -0.97 0.22 2.02 -0.92 -1.44 112.91 113.10 1sh5 h THR 107 Ca -0.01 -0.89 0.11 0.00 0.77 0.00 0.00 66.41 66.39 1sh5 h THR 107 Cb 1.52 1.75 -0.08 0.00 -1.74 0.00 0.00 68.15 69.60 1sh5 h THR 107 CO 0.09 0.25 0.60 -0.07 0.37 0.00 0.00 175.52 176.76 1sh5 h LEU 108 N -0.20 0.90 -0.71 2.58 3.38 -1.22 -2.12 115.31 117.91 1sh5 h LEU 108 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1sh5 h LEU 108 Cb 0.40 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1sh5 h LEU 108 CO 0.01 0.49 0.39 1.23 0.09 0.00 0.00 178.44 180.64 1sh5 h GLY 109 N 0.98 1.07 0.71 0.83 0.00 -1.27 -0.65 103.07 104.73 1sh5 h GLY 109 Ca 0.47 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 1sh5 h GLY 109 CO -0.25 0.47 -0.10 -2.00 0.00 0.00 0.00 176.54 174.66 1sh5 h LEU 110 N 0.98 -0.23 -0.75 3.11 6.46 -1.02 -1.50 115.31 122.36 1sh5 h LEU 110 Ca 0.25 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1sh5 h LEU 110 Cb 0.05 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1sh5 h LEU 110 CO -0.04 0.09 0.49 0.40 -0.62 0.00 0.00 178.44 178.76 1sh5 h ILE 111 N -0.57 1.20 -0.84 4.05 1.08 -1.29 -1.51 117.51 119.62 1sh5 h ILE 111 Ca -0.03 -0.38 0.08 0.00 -0.39 0.00 0.00 64.86 64.14 1sh5 h ILE 111 Cb 0.42 0.11 -0.07 0.00 -3.07 0.00 0.00 36.82 34.21 1sh5 h ILE 111 CO 0.05 0.19 0.50 -0.25 -0.69 0.00 0.00 178.15 177.96 1sh5 h TRP 112 N 1.02 0.93 -0.82 1.37 2.91 -1.01 -0.98 115.95 119.37 1sh5 h TRP 112 Ca 0.27 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.36 1sh5 h TRP 112 Cb -0.10 -0.29 -0.05 0.00 -0.51 0.00 0.00 29.16 28.21 1sh5 h TRP 112 CO -0.02 0.42 0.52 1.15 -1.03 0.00 0.00 178.44 179.49 1sh5 h THR 113 N 0.88 1.11 -0.41 2.65 2.02 -0.37 0.25 112.91 119.04 1sh5 h THR 113 Ca 0.39 -0.34 -0.10 0.00 0.77 0.00 0.00 66.41 67.12 1sh5 h THR 113 Cb 0.27 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1sh5 h THR 113 CO -0.21 0.18 -0.13 0.40 0.37 0.00 0.00 175.52 176.13 1sh5 h ILE 114 N 1.00 1.28 -0.41 3.11 2.04 -0.66 -0.88 117.51 122.98 1sh5 h ILE 114 Ca 0.33 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1sh5 h ILE 114 Cb 0.04 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1sh5 h ILE 114 CO -0.12 0.42 0.07 0.40 0.00 0.00 0.00 178.15 178.91 1sh5 h ILE 115 N 0.63 1.24 -0.02 -0.67 2.04 -0.75 -0.24 117.51 119.74 1sh5 h ILE 115 Ca 0.10 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1sh5 h ILE 115 Cb 0.68 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1sh5 h ILE 115 CO 0.05 0.30 0.01 0.25 0.00 0.00 0.00 178.15 178.76 1sh5 h LEU 116 N 0.54 0.03 -0.41 1.44 5.85 -0.85 0.20 115.31 122.10 1sh5 h LEU 116 Ca 0.13 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1sh5 h LEU 116 Cb 0.37 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1sh5 h LEU 116 CO 0.01 0.10 0.03 -0.74 -0.34 0.00 0.00 178.44 177.49 1sh5 h HIS 117 N -0.04 0.76 0.00 1.25 2.76 -0.98 -1.26 115.15 117.63 1sh5 h HIS 117 Ca 0.01 -0.12 -0.05 0.00 -2.20 0.00 0.00 60.37 58.01 1sh5 h HIS 117 Cb 0.07 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1sh5 h HIS 117 CO -0.05 0.75 -1.63 1.19 -1.30 0.00 0.00 177.93 176.89 1sh5 n PHE 118 N -4.47 0.44 -0.02 5.26 3.01 -0.12 -4.51 117.46 117.06 1sh5 n PHE 118 Ca -0.01 0.13 -0.02 0.00 1.01 0.00 0.00 57.45 58.56 1sh5 n PHE 118 Cb 0.27 -0.76 -0.01 0.00 -0.01 0.00 0.00 39.48 38.96 1sh5 n PHE 118 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1sh5 n GLN 119 N -2.51 0.07 -0.04 -1.08 7.27 0.64 -4.84 117.38 116.89 1sh5 n GLN 119 Ca -0.06 0.02 -0.09 0.00 0.07 0.00 0.00 57.00 56.94 1sh5 n GLN 119 Cb 0.64 -0.98 -0.15 0.00 2.41 0.00 0.00 30.24 32.16 1sh5 n GLN 119 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1sh5 n ILE 120 N -2.68 1.55 1.46 1.69 5.41 -0.87 -4.28 119.36 121.63 1sh5 n ILE 120 Ca -0.06 -0.81 0.14 0.00 1.00 0.00 0.00 62.75 63.03 1sh5 n ILE 120 Cb 0.56 -0.88 0.65 0.00 -0.71 0.00 0.00 39.64 39.25 1sh5 n ILE 120 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1sh5 n SER 121 N -2.97 0.42 -0.07 4.38 3.41 -0.50 -2.98 113.62 115.30 1sh5 n SER 121 Ca -0.21 -0.59 0.14 0.00 -0.26 0.00 0.00 58.87 57.95 1sh5 n SER 121 Cb 1.08 -0.09 0.68 0.00 -0.26 0.00 0.00 64.21 65.62 1sh5 n SER 121 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1sh5 n ASP 122 N -0.96 0.29 -4.75 4.04 8.00 -1.26 -4.97 116.55 116.95 1sh5 n ASP 122 Ca 0.15 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.76 1sh5 n ASP 122 Cb 0.26 -0.13 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 1sh5 n ASP 122 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1sh5 n ILE 123 N -1.06 1.62 -3.69 0.53 5.41 -1.16 -5.02 119.36 115.99 1sh5 n ILE 123 Ca 0.15 -0.40 -0.20 0.00 1.00 0.00 0.00 62.75 63.29 1sh5 n ILE 123 Cb 0.25 -1.90 -0.18 0.00 -0.71 0.00 0.00 39.64 37.10 1sh5 n ILE 123 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1sh5 s GLN 124 N -1.45 0.05 -0.04 0.38 -0.21 -1.26 -5.03 119.66 112.10 1sh5 s GLN 124 Ca 0.58 0.32 0.03 0.00 0.02 0.00 0.00 55.36 56.31 1sh5 s GLN 124 Cb -0.50 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 32.92 1sh5 s GLN 124 CO 0.58 -0.32 -0.13 0.08 -2.12 0.00 0.00 175.29 173.38 1sh5 s VAL 125 N 2.10 1.13 0.26 1.09 1.01 -1.26 -5.11 120.40 119.62 1sh5 s VAL 125 Ca 0.05 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 1sh5 s VAL 125 Cb -0.12 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.17 1sh5 s VAL 125 CO -0.03 0.34 1.40 -0.94 0.00 0.00 0.00 175.10 175.87 1sh5 s SER 126 N 0.19 6.70 0.00 3.32 1.04 -1.26 -2.18 113.70 121.51 1sh5 s SER 126 Ca -0.05 2.65 0.00 0.00 0.48 0.00 0.00 55.95 59.03 1sh5 s SER 126 Cb -0.11 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.38 1sh5 s SER 126 CO 0.02 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1sh5 n GLY 127 N 1.91 0.89 3.68 7.32 0.00 -1.26 -5.03 105.19 112.70 1sh5 n GLY 127 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1sh5 n GLY 127 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sh5 s GLN 128 N -0.90 4.15 0.65 1.61 -0.21 -0.92 -5.05 119.66 118.99 1sh5 s GLN 128 Ca 0.00 2.53 -0.09 0.00 0.02 0.00 0.00 55.36 57.82 1sh5 s GLN 128 Cb 0.00 -3.76 0.01 0.00 1.00 0.00 0.00 33.01 30.26 1sh5 s GLN 128 CO 0.00 -0.85 1.01 -1.12 -2.12 0.00 0.00 175.29 172.21 1sh5 s SER 129 N 3.12 5.55 0.08 5.90 0.01 -1.26 -5.02 113.70 122.08 1sh5 s SER 129 Ca 0.81 0.97 0.22 0.00 1.31 0.00 0.00 55.95 59.26 1sh5 s SER 129 Cb -0.43 -1.87 -0.15 0.00 0.21 0.00 0.00 66.02 63.78 1sh5 s SER 129 CO 0.36 -1.19 0.79 -0.62 0.41 0.00 0.00 173.24 172.99 1sh5 n GLU 130 N -2.81 0.59 0.00 12.44 4.71 -1.26 -3.10 120.64 131.21 1sh5 n GLU 130 Ca 0.06 -0.03 0.14 0.00 -0.01 0.00 0.00 57.16 57.32 1sh5 n GLU 130 Cb 0.57 -1.66 0.62 0.00 -1.01 0.00 0.00 31.44 29.96 1sh5 n GLU 130 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1sh5 n ASP 131 N -2.41 0.74 -4.74 1.62 5.75 -1.26 -4.90 116.55 111.35 1sh5 n ASP 131 Ca -0.02 -0.96 -0.41 0.00 -0.01 0.00 0.00 54.79 53.40 1sh5 n ASP 131 Cb 0.55 -0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.59 1sh5 n ASP 131 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1sh5 s MET 132 N -2.25 4.46 0.61 0.11 -1.94 -1.18 -5.03 119.30 114.08 1sh5 s MET 132 Ca 0.35 1.97 -0.15 0.00 -1.71 0.00 0.00 55.69 56.14 1sh5 s MET 132 Cb 0.21 -3.19 -0.03 0.00 2.01 0.00 0.00 34.83 33.82 1sh5 s MET 132 CO 0.42 -0.11 1.07 0.99 -0.01 0.00 0.00 175.02 177.38 1sh5 s THR 133 N -0.31 3.67 0.20 2.05 2.01 -1.26 -4.89 115.64 117.10 1sh5 s THR 133 Ca 0.52 0.78 -0.10 0.00 0.31 0.00 0.00 61.69 63.20 1sh5 s THR 133 Cb -0.35 -3.31 0.12 0.00 0.01 0.00 0.00 72.50 68.98 1sh5 s THR 133 CO 0.40 -0.47 1.77 0.00 -0.69 0.00 0.00 174.62 175.63 1sh5 h ALA 134 N 0.31 0.77 -0.99 7.40 0.00 -1.94 0.31 119.26 125.13 1sh5 h ALA 134 Ca -0.47 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1sh5 h ALA 134 Cb 1.23 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1sh5 h ALA 134 CO 0.57 -0.10 0.64 -0.22 0.00 0.00 0.00 179.25 180.13 1sh5 h LYS 135 N 0.51 1.16 -0.36 0.00 3.64 -1.94 -1.34 116.57 118.24 1sh5 h LYS 135 Ca 0.28 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.47 1sh5 h LYS 135 Cb 0.26 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1sh5 h LYS 135 CO -0.23 0.77 -0.25 0.93 -2.27 0.00 0.00 179.45 178.40 1sh5 h GLU 136 N 1.20 0.74 -0.46 1.90 5.08 -1.54 -1.32 114.58 120.16 1sh5 h GLU 136 Ca 0.41 -0.31 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 1sh5 h GLU 136 Cb 0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1sh5 h GLU 136 CO -0.15 0.91 -0.18 0.87 -1.00 0.00 0.00 179.01 179.46 1sh5 h LYS 137 N 0.64 0.91 -0.18 2.33 1.57 -0.51 -1.00 116.57 120.32 1sh5 h LYS 137 Ca 0.08 -0.36 -0.11 0.00 -1.87 0.00 0.00 60.65 58.39 1sh5 h LYS 137 Cb 0.76 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1sh5 h LYS 137 CO 0.06 1.01 -0.37 1.25 -0.57 0.00 0.00 179.45 180.84 1sh5 h LEU 138 N 0.80 0.41 -0.44 2.94 5.85 -1.08 -0.64 115.31 123.15 1sh5 h LEU 138 Ca 0.11 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 1sh5 h LEU 138 Cb 0.73 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1sh5 h LEU 138 CO 0.06 0.75 -0.28 0.25 -0.34 0.00 0.00 178.44 178.87 1sh5 h LEU 139 N 0.33 1.02 -0.43 2.25 5.85 -0.94 -1.05 115.31 122.34 1sh5 h LEU 139 Ca 0.04 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1sh5 h LEU 139 Cb 0.80 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1sh5 h LEU 139 CO 0.06 1.22 0.20 0.25 -0.34 0.00 0.00 178.44 179.83 1sh5 h LEU 140 N 0.81 0.57 -0.62 2.25 5.85 -1.05 0.15 115.31 123.27 1sh5 h LEU 140 Ca 0.09 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1sh5 h LEU 140 Cb 0.87 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1sh5 h LEU 140 CO 0.08 0.55 0.34 -0.25 -0.34 0.00 0.00 178.44 178.82 1sh5 h TRP 141 N 0.55 0.63 -0.41 1.25 7.01 -0.90 -0.58 115.95 123.52 1sh5 h TRP 141 Ca 0.15 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1sh5 h TRP 141 Cb 0.14 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.98 1sh5 h TRP 141 CO -0.01 0.32 0.24 0.77 -2.79 0.00 0.00 178.44 176.96 1sh5 h SER 142 N 0.65 0.49 -0.57 2.65 0.02 -0.61 0.08 113.55 116.26 1sh5 h SER 142 Ca 0.27 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1sh5 h SER 142 Cb 0.14 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1sh5 h SER 142 CO -0.16 0.42 0.26 1.56 -1.14 0.00 0.00 176.83 177.76 1sh5 h GLN 143 N 0.53 0.84 -0.58 3.45 4.20 -0.02 -2.72 115.11 120.81 1sh5 h GLN 143 Ca 0.14 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1sh5 h GLN 143 Cb 0.02 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1sh5 h GLN 143 CO -0.03 0.70 0.21 0.00 -0.67 0.00 0.00 178.83 179.05 1sh5 h ARG 144 N 0.78 0.88 -0.24 1.46 3.08 -0.85 -2.52 114.38 116.97 1sh5 h ARG 144 Ca 0.19 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1sh5 h ARG 144 Cb 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1sh5 h ARG 144 CO -0.02 0.77 0.13 0.52 -1.07 0.00 0.00 179.97 180.30 1sh5 h MET 145 N 0.80 0.32 -0.48 0.04 2.86 -0.69 -2.98 114.93 114.80 1sh5 h MET 145 Ca 0.19 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1sh5 h MET 145 Cb 0.23 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1sh5 h MET 145 CO -0.01 0.24 0.00 1.33 1.06 0.00 0.00 176.91 179.53 1sh5 n VAL 146 N -4.47 1.40 -0.13 -2.22 0.24 -1.06 -4.68 118.33 107.41 1sh5 n VAL 146 Ca 0.01 -1.18 -0.04 0.00 -2.04 0.00 0.00 64.34 61.08 1sh5 n VAL 146 Cb 0.09 0.30 0.04 0.00 -1.47 0.00 0.00 33.84 32.80 1sh5 n VAL 146 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1sh5 h GLU 147 N 2.91 0.14 0.00 7.34 5.08 -1.29 -2.61 114.58 126.14 1sh5 h GLU 147 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1sh5 h GLU 147 Cb 1.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1sh5 h GLU 147 CO 0.09 0.09 0.00 0.41 -1.00 0.00 0.00 179.01 178.61 1sh5 n GLY 148 N -1.27 -0.39 3.66 -3.84 0.00 -1.26 -4.85 105.19 97.23 1sh5 n GLY 148 Ca 0.03 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1sh5 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sh5 s TYR 149 N -2.70 3.21 0.00 1.61 1.51 -0.99 -5.04 117.35 114.94 1sh5 s TYR 149 Ca 0.01 0.11 0.00 0.00 -1.01 0.00 0.00 57.07 56.18 1sh5 s TYR 149 Cb 0.01 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.94 1sh5 s TYR 149 CO 0.02 0.32 0.82 0.00 -1.11 0.00 0.00 175.55 175.60 1sh5 n GLN 150 N 2.76 0.00 0.00 -0.62 10.64 -1.26 -2.99 117.38 125.90 1sh5 n GLN 150 Ca -0.18 0.38 0.04 0.00 -1.83 0.00 0.00 57.00 55.41 1sh5 n GLN 150 Cb 0.53 -1.32 0.22 0.00 -0.86 0.00 0.00 30.24 28.81 1sh5 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1sh5 n GLY 151 N -0.84 -0.57 3.46 2.61 0.00 -1.26 -4.90 105.19 103.69 1sh5 n GLY 151 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1sh5 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sh5 s LEU 152 N -1.40 2.99 -0.00 0.99 1.43 -1.16 -5.09 118.68 116.44 1sh5 s LEU 152 Ca 0.11 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1sh5 s LEU 152 Cb 0.05 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 1sh5 s LEU 152 CO 0.08 0.21 -0.10 -0.60 0.23 0.00 0.00 176.35 176.17 1sh5 s ARG 153 N 0.10 0.78 -0.49 1.70 3.52 -1.26 -4.92 118.95 118.38 1sh5 s ARG 153 Ca -0.03 -0.40 -0.08 0.00 -0.13 0.00 0.00 55.73 55.09 1sh5 s ARG 153 Cb -0.14 -0.75 0.13 0.00 -1.56 0.00 0.00 34.95 32.62 1sh5 s ARG 153 CO 0.04 0.20 0.35 0.00 -0.81 0.00 0.00 175.30 175.08 1sh5 n ASP 155 N 4.70 0.23 -3.04 0.00 8.00 -1.26 -4.83 116.55 120.35 1sh5 n ASP 155 Ca -0.05 0.10 -0.06 0.00 0.71 0.00 0.00 54.79 55.49 1sh5 n ASP 155 Cb 0.41 1.34 0.03 0.00 -0.02 0.00 0.00 41.12 42.87 1sh5 n ASP 155 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sh5 s ASN 156 N -5.00 0.03 -0.42 -2.24 6.03 -1.26 -5.05 114.94 107.04 1sh5 s ASN 156 Ca -0.07 -0.98 0.05 0.00 -1.03 0.00 0.00 52.86 50.83 1sh5 s ASN 156 Cb 0.11 0.70 0.59 0.00 -3.03 0.00 0.00 41.25 39.63 1sh5 s ASN 156 CO 0.86 -1.40 1.77 0.49 -2.03 0.00 0.00 177.10 176.79 1sh5 n PHE 157 N -0.63 2.46 0.00 1.54 3.72 -1.26 -4.54 117.46 118.75 1sh5 n PHE 157 Ca -0.06 -1.89 0.00 0.00 -0.05 0.00 0.00 57.45 55.45 1sh5 n PHE 157 Cb 0.60 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 1sh5 n PHE 157 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1sh5 n THR 158 N -1.11 0.00 0.23 4.37 -2.24 -1.26 -4.31 114.28 109.96 1sh5 n THR 158 Ca 0.51 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 62.37 1sh5 n THR 158 Cb 1.37 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 70.16 1sh5 n THR 158 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1sh5 h THR 159 N 0.00 1.00 -0.02 4.28 1.35 -1.87 -1.73 112.91 115.92 1sh5 h THR 159 Ca 0.00 -0.59 0.01 0.00 -0.55 0.00 0.00 66.41 65.28 1sh5 h THR 159 Cb 0.00 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1sh5 h THR 159 CO 0.00 0.16 0.03 0.28 -0.25 0.00 0.00 175.52 175.74 1sh5 h SER 160 N 0.00 0.00 0.01 5.36 0.02 -1.90 -3.00 113.55 114.03 1sh5 h SER 160 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sh5 h SER 160 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1sh5 h SER 160 CO 0.02 0.00 -0.32 0.79 -1.14 0.00 0.00 176.83 176.18 1sh5 n TRP 161 N -3.60 0.00 0.04 3.45 7.02 -0.65 -4.61 117.44 119.09 1sh5 n TRP 161 Ca -0.02 0.00 -0.00 0.00 -1.02 0.00 0.00 57.50 56.45 1sh5 n TRP 161 Cb 0.12 -0.01 0.30 0.00 -2.42 0.00 0.00 31.31 29.29 1sh5 n TRP 161 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 1sh5 h ARG 162 N 2.85 0.42 -0.10 -0.99 2.43 -1.64 -2.88 114.38 114.48 1sh5 h ARG 162 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1sh5 h ARG 162 Cb 0.78 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1sh5 h ARG 162 CO 0.00 0.54 0.00 -0.40 -1.51 0.00 0.00 179.97 178.60 1sh5 n ASP 163 N -4.23 1.52 0.00 -3.80 3.85 -1.26 -4.27 116.55 108.36 1sh5 n ASP 163 Ca 0.00 -1.60 0.00 0.00 -0.71 0.00 0.00 54.79 52.49 1sh5 n ASP 163 Cb 0.30 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 1sh5 n ASP 163 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1sh5 n GLY 164 N 1.14 2.22 0.19 6.12 0.00 -1.09 -4.43 105.19 109.34 1sh5 n GLY 164 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1sh5 n GLY 164 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1sh5 h ARG 165 N 1.75 0.58 -0.61 1.61 3.08 -1.90 -2.85 114.38 116.04 1sh5 h ARG 165 Ca 0.00 -0.29 0.08 0.00 0.07 0.00 0.00 59.98 59.84 1sh5 h ARG 165 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 1sh5 h ARG 165 CO 0.00 0.87 0.28 -0.07 -1.07 0.00 0.00 179.97 179.99 1sh5 h LEU 166 N 0.30 0.36 -0.72 3.04 4.07 -1.89 0.24 115.31 120.71 1sh5 h LEU 166 Ca 0.05 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1sh5 h LEU 166 Cb 0.74 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.44 1sh5 h LEU 166 CO 0.05 0.23 0.42 -0.26 -1.08 0.00 0.00 178.44 177.80 1sh5 h PHE 167 N 0.51 0.96 -0.63 1.13 0.04 -1.87 -1.24 116.94 115.85 1sh5 h PHE 167 Ca 0.29 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.99 1sh5 h PHE 167 Cb 0.28 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 1sh5 h PHE 167 CO -0.12 0.65 0.15 -0.91 -0.60 0.00 0.00 178.31 177.48 1sh5 h ASN 168 N 0.98 0.96 -0.28 2.17 2.35 -1.18 -2.75 115.58 117.83 1sh5 h ASN 168 Ca 0.26 -0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1sh5 h ASN 168 Cb -0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1sh5 h ASN 168 CO -0.05 0.95 -0.20 0.00 -1.65 0.00 0.00 177.43 176.48 1sh5 h ALA 169 N 1.05 0.94 -0.49 -0.83 0.00 -0.61 -0.73 119.26 118.58 1sh5 h ALA 169 Ca 0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1sh5 h ALA 169 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1sh5 h ALA 169 CO 0.00 0.61 0.16 0.82 0.00 0.00 0.00 179.25 180.84 1sh5 h ILE 170 N 0.65 1.23 -0.21 0.00 2.04 -1.14 -1.29 117.51 118.79 1sh5 h ILE 170 Ca 0.10 -0.76 -0.15 0.00 1.00 0.00 0.00 64.86 65.04 1sh5 h ILE 170 Cb 0.69 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1sh5 h ILE 170 CO 0.05 0.28 -0.51 0.40 0.00 0.00 0.00 178.15 178.37 1sh5 h ILE 171 N 0.67 1.31 -0.31 -0.67 2.04 -1.18 -3.05 117.51 116.32 1sh5 h ILE 171 Ca 0.16 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1sh5 h ILE 171 Cb 0.27 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1sh5 h ILE 171 CO -0.01 0.54 0.20 -0.74 0.00 0.00 0.00 178.15 178.15 1sh5 h HIS 172 N 0.45 0.40 -0.97 1.37 2.76 -0.96 0.36 115.15 118.57 1sh5 h HIS 172 Ca 0.02 0.00 0.11 0.00 -2.20 0.00 0.00 60.37 58.30 1sh5 h HIS 172 Cb 1.04 -0.13 -0.08 0.00 1.55 0.00 0.00 27.41 29.79 1sh5 h HIS 172 CO 0.04 0.27 0.62 -0.09 -1.30 0.00 0.00 177.93 177.47 1sh5 h ARG 173 N 0.41 0.94 0.15 5.26 9.65 -1.25 0.18 114.38 129.73 1sh5 h ARG 173 Ca 0.11 -0.06 -0.26 0.00 -1.10 0.00 0.00 59.98 58.68 1sh5 h ARG 173 Cb -0.02 -0.21 0.03 0.00 -1.39 0.00 0.00 29.97 28.37 1sh5 h ARG 173 CO -0.02 0.62 -1.10 1.25 2.80 0.00 0.00 179.97 183.52 1sh5 h HIS 174 N 0.97 0.81 -2.16 2.20 2.76 -1.39 -3.42 115.15 114.92 1sh5 h HIS 174 Ca 0.47 -0.55 -0.44 0.00 -2.20 0.00 0.00 60.37 57.65 1sh5 h HIS 174 Cb 0.46 -0.05 -0.34 0.00 1.55 0.00 0.00 27.41 29.03 1sh5 h HIS 174 CO -0.00 1.41 -0.74 0.15 -1.30 0.00 0.00 177.93 177.45 1sh5 s LYS 175 N -2.72 0.60 0.64 5.26 1.02 0.09 -5.02 119.74 119.61 1sh5 s LYS 175 Ca -0.11 -1.00 0.28 0.00 0.02 0.00 0.00 55.97 55.16 1sh5 s LYS 175 Cb 0.03 -0.91 1.47 0.00 -0.52 0.00 0.00 37.83 37.91 1sh5 s LYS 175 CO 0.89 -1.20 1.85 -1.35 -0.92 0.00 0.00 175.35 174.62 1sh5 h PRO 176 N 7.08 0.00 -0.15 -1.68 0.11 -0.85 -1.88 132.00 134.62 1sh5 h PRO 176 Ca 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 1sh5 h PRO 176 Cb 1.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1sh5 h PRO 176 CO 0.22 0.00 -0.11 1.98 -0.21 0.00 0.00 178.00 179.88 1sh5 h MET 177 N 0.00 0.24 0.00 1.05 4.05 -1.93 -3.16 114.93 115.18 1sh5 h MET 177 Ca 0.07 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1sh5 h MET 177 Cb 0.94 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.70 1sh5 h MET 177 CO -0.00 0.36 0.00 -0.07 0.23 0.00 0.00 176.91 177.43 1sh5 h LEU 178 N 0.23 0.00 -7.54 3.39 4.07 -1.68 -3.45 115.31 110.33 1sh5 h LEU 178 Ca 0.05 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.69 1sh5 h LEU 178 Cb 0.34 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 41.74 1sh5 h LEU 178 CO 0.02 0.00 -0.74 -0.63 -1.08 0.00 0.00 178.44 176.01 1sh5 s ILE 179 N -3.28 0.01 -0.66 1.22 -1.09 -1.19 -5.05 121.20 111.16 1sh5 s ILE 179 Ca 0.07 0.19 -0.20 0.00 -2.23 0.00 0.00 60.65 58.48 1sh5 s ILE 179 Cb 0.09 -0.14 0.10 0.00 -1.58 0.00 0.00 42.46 40.93 1sh5 s ILE 179 CO 0.58 0.11 0.82 -0.62 -1.23 0.00 0.00 174.94 174.60 1sh5 s ASP 180 N 1.10 6.26 0.53 3.58 3.68 -1.26 -4.91 116.67 125.64 1sh5 s ASP 180 Ca -0.09 -1.45 0.22 0.00 2.13 0.00 0.00 52.55 53.36 1sh5 s ASP 180 Cb -0.13 -2.34 1.36 0.00 -1.45 0.00 0.00 42.92 40.36 1sh5 s ASP 180 CO -0.03 -1.17 2.06 0.24 0.13 0.00 0.00 175.17 176.41 1sh5 h MET 181 N 9.18 0.00 -0.17 4.34 2.86 -1.97 -2.70 114.93 126.47 1sh5 h MET 181 Ca -0.22 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1sh5 h MET 181 Cb 1.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1sh5 h MET 181 CO 1.11 0.00 0.01 -0.91 1.06 0.00 0.00 176.91 178.18 1sh5 h ASN 182 N 0.00 0.29 -0.89 1.22 2.35 -2.01 -2.53 115.58 114.01 1sh5 h ASN 182 Ca 0.15 -0.29 0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1sh5 h ASN 182 Cb 0.59 -0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.82 1sh5 h ASN 182 CO -0.00 0.50 0.57 0.50 -1.65 0.00 0.00 177.43 177.35 1sh5 h LYS 183 N 0.07 0.75 -0.84 0.81 3.64 -1.95 -2.33 116.57 116.71 1sh5 h LYS 183 Ca 0.05 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1sh5 h LYS 183 Cb 0.35 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1sh5 h LYS 183 CO 0.01 0.50 0.48 0.28 -2.27 0.00 0.00 179.45 178.44 1sh5 h VAL 184 N 0.77 1.24 0.00 2.00 2.07 -1.14 -1.93 116.25 119.26 1sh5 h VAL 184 Ca 0.44 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1sh5 h VAL 184 Cb 0.60 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1sh5 h VAL 184 CO -0.20 0.26 0.00 1.88 0.02 0.00 0.00 177.57 179.54 1sh5 h TYR 185 N 1.16 0.00 -0.10 1.57 -1.99 -1.13 -2.93 116.97 113.55 1sh5 h TYR 185 Ca 0.30 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.03 1sh5 h TYR 185 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1sh5 h TYR 185 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 181.05 1sh5 n ARG 186 N -2.67 1.44 -2.70 4.88 1.85 -0.79 -5.05 116.66 113.62 1sh5 n ARG 186 Ca 0.00 -1.34 -0.23 0.00 -1.00 0.00 0.00 57.85 55.28 1sh5 n ARG 186 Cb 0.19 -1.13 0.03 0.00 -1.05 0.00 0.00 32.46 30.50 1sh5 n ARG 186 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1sh5 s GLN 187 N -0.76 2.79 0.78 2.89 -0.21 -0.82 -5.09 119.66 119.24 1sh5 s GLN 187 Ca 0.10 -0.49 -0.12 0.00 0.02 0.00 0.00 55.36 54.87 1sh5 s GLN 187 Cb 0.06 -2.46 0.06 0.00 1.00 0.00 0.00 33.01 31.67 1sh5 s GLN 187 CO 0.08 -0.57 1.15 0.95 -2.12 0.00 0.00 175.29 174.78 1sh5 s THR 188 N -2.75 2.44 0.18 -0.19 -4.23 -1.26 -4.86 115.64 104.96 1sh5 s THR 188 Ca 0.53 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 61.06 1sh5 s THR 188 Cb -0.10 -3.13 0.09 0.00 1.34 0.00 0.00 72.50 70.70 1sh5 s THR 188 CO 0.40 -0.19 1.75 0.78 -0.54 0.00 0.00 174.62 176.82 1sh5 h ASN 189 N -0.96 0.17 -0.74 3.99 2.35 -1.92 -1.32 115.58 117.16 1sh5 h ASN 189 Ca -0.46 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.33 1sh5 h ASN 189 Cb 1.31 0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.69 1sh5 h ASN 189 CO 0.65 0.13 0.37 -0.07 -1.65 0.00 0.00 177.43 176.86 1sh5 h LEU 190 N 0.35 0.96 -0.43 1.61 4.07 -1.90 0.31 115.31 120.27 1sh5 h LEU 190 Ca 0.24 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 1sh5 h LEU 190 Cb 0.25 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1sh5 h LEU 190 CO -0.24 0.81 0.03 -0.33 -1.08 0.00 0.00 178.44 177.63 1sh5 h GLU 191 N 1.03 0.74 -0.64 1.13 5.08 -1.88 -1.59 114.58 118.46 1sh5 h GLU 191 Ca 0.26 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1sh5 h GLU 191 Cb 0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1sh5 h GLU 191 CO -0.04 0.80 0.11 -0.91 -1.00 0.00 0.00 179.01 177.98 1sh5 h ASN 192 N 0.59 0.98 -0.14 1.42 2.35 -0.74 -0.81 115.58 119.22 1sh5 h ASN 192 Ca 0.13 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1sh5 h ASN 192 Cb 0.44 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 1sh5 h ASN 192 CO 0.02 0.97 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.60 1sh5 h LEU 193 N 0.97 0.33 -0.54 1.61 3.38 -0.92 -1.04 115.31 119.12 1sh5 h LEU 193 Ca 0.20 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1sh5 h LEU 193 Cb 0.40 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1sh5 h LEU 193 CO 0.01 0.71 0.13 -0.78 0.09 0.00 0.00 178.44 178.60 1sh5 h ASP 194 N -0.04 0.81 -0.04 -0.43 3.58 -1.22 -0.82 116.42 118.26 1sh5 h ASP 194 Ca 0.03 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1sh5 h ASP 194 Cb 0.60 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.43 1sh5 h ASP 194 CO 0.03 0.83 0.02 -0.61 -2.88 0.00 0.00 179.24 176.63 1sh5 h GLN 195 N 0.75 0.04 -0.44 0.28 4.15 -1.07 -0.00 115.11 118.82 1sh5 h GLN 195 Ca 0.17 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 1sh5 h GLN 195 Cb 0.34 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1sh5 h GLN 195 CO 0.00 0.03 0.27 0.00 -1.93 0.00 0.00 178.83 177.20 1sh5 h ALA 196 N 1.02 0.57 -0.57 3.38 0.00 -0.89 -0.35 119.26 122.42 1sh5 h ALA 196 Ca 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1sh5 h ALA 196 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1sh5 h ALA 196 CO -0.01 0.05 0.15 0.74 0.00 0.00 0.00 179.25 180.17 1sh5 h PHE 197 N 0.59 0.94 -0.38 0.00 0.04 -1.02 -0.59 116.94 116.52 1sh5 h PHE 197 Ca 0.16 -0.11 -0.07 0.00 2.80 0.00 0.00 57.97 60.75 1sh5 h PHE 197 Cb -0.02 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 1sh5 h PHE 197 CO -0.03 0.80 -0.03 0.77 -0.60 0.00 0.00 178.31 179.22 1sh5 h SER 198 N 0.81 0.68 -0.08 2.17 0.02 -0.76 -1.18 113.55 115.21 1sh5 h SER 198 Ca 0.18 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1sh5 h SER 198 Cb 0.33 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 1sh5 h SER 198 CO -0.00 0.85 0.05 0.58 -1.14 0.00 0.00 176.83 177.16 1sh5 h VAL 199 N 0.51 1.08 -0.92 2.27 2.07 -0.99 -0.60 116.25 119.67 1sh5 h VAL 199 Ca 0.10 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1sh5 h VAL 199 Cb 0.51 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 1sh5 h VAL 199 CO 0.02 0.07 0.59 0.00 0.02 0.00 0.00 177.57 178.28 1sh5 h ALA 200 N 0.95 1.54 0.08 1.67 0.00 -1.01 0.28 119.26 122.77 1sh5 h ALA 200 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1sh5 h ALA 200 Cb 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1sh5 h ALA 200 CO -0.00 0.30 -0.04 1.49 0.00 0.00 0.00 179.25 180.99 1sh5 h GLU 201 N 0.99 -0.10 -0.14 0.00 4.81 -1.08 -1.65 114.58 117.41 1sh5 h GLU 201 Ca 0.41 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.62 1sh5 h GLU 201 Cb 0.29 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1sh5 h GLU 201 CO -0.17 0.43 -0.00 -0.09 -0.73 0.00 0.00 179.01 178.45 1sh5 h ARG 202 N -0.75 0.25 0.00 1.92 2.43 -0.91 -2.83 114.38 114.49 1sh5 h ARG 202 Ca -0.01 -0.08 -0.25 0.00 -0.81 0.00 0.00 59.98 58.83 1sh5 h ARG 202 Cb 0.58 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 1sh5 h ARG 202 CO 0.02 0.49 -2.00 -0.25 -1.51 0.00 0.00 179.97 176.72 1sh5 n ASP 203 N -4.76 0.31 -0.36 -3.80 8.00 0.97 -4.51 116.55 112.40 1sh5 n ASP 203 Ca -0.06 0.14 0.06 0.00 0.71 0.00 0.00 54.79 55.64 1sh5 n ASP 203 Cb 0.22 0.85 0.02 0.00 -0.02 0.00 0.00 41.12 42.19 1sh5 n ASP 203 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sh5 n LEU 204 N -2.73 1.63 -0.08 0.64 4.77 -0.78 -5.01 117.00 115.45 1sh5 n LEU 204 Ca -0.20 -0.88 -0.01 0.00 -0.03 0.00 0.00 56.01 54.89 1sh5 n LEU 204 Cb 0.96 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1sh5 n LEU 204 CO 0.44 0.31 -0.01 0.61 -1.33 0.00 0.00 177.39 177.41 1sh5 n GLY 205 N 0.81 0.48 3.49 -0.72 0.00 -1.02 -4.92 105.19 103.32 1sh5 n GLY 205 Ca 0.06 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 1sh5 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sh5 s VAL 206 N -2.01 5.12 0.29 1.61 1.01 -0.69 -4.95 120.40 120.77 1sh5 s VAL 206 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 1sh5 s VAL 206 Cb 0.00 -3.98 -0.13 0.00 0.00 0.00 0.00 36.38 32.27 1sh5 s VAL 206 CO 0.00 -0.34 1.32 0.41 0.00 0.00 0.00 175.10 176.50 1sh5 n THR 207 N 5.37 1.48 -2.25 3.92 -1.04 -1.26 -3.28 114.28 117.22 1sh5 n THR 207 Ca -0.08 -0.37 -0.40 0.00 -2.04 0.00 0.00 64.05 61.16 1sh5 n THR 207 Cb 0.48 -1.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.48 1sh5 n THR 207 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1sh5 s ARG 208 N -1.13 3.04 0.09 -2.82 0.52 -1.26 -4.84 118.95 112.55 1sh5 s ARG 208 Ca 0.62 0.49 0.18 0.00 -0.52 0.00 0.00 55.73 56.50 1sh5 s ARG 208 Cb -0.62 -4.24 -0.11 0.00 0.52 0.00 0.00 34.95 30.51 1sh5 s ARG 208 CO 0.56 -2.26 0.87 1.28 0.02 0.00 0.00 175.30 175.77 1sh5 n LEU 209 N 10.77 0.85 -4.34 2.53 4.77 -1.26 -4.93 117.00 125.38 1sh5 n LEU 209 Ca 0.15 0.36 -0.31 0.00 -0.03 0.00 0.00 56.01 56.18 1sh5 n LEU 209 Cb 0.50 0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1sh5 n LEU 209 CO 0.71 0.06 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.52 1sh5 s LEU 210 N -5.67 2.18 0.01 2.23 1.43 -1.26 -4.39 118.68 113.21 1sh5 s LEU 210 Ca -0.02 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 1sh5 s LEU 210 Cb 0.09 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.88 1sh5 s LEU 210 CO 0.81 0.31 0.46 -1.81 0.23 0.00 0.00 176.35 176.35 1sh5 s ASP 211 N -0.74 6.86 0.33 2.29 1.01 -1.26 -5.01 116.67 120.14 1sh5 s ASP 211 Ca 0.11 1.03 0.09 0.00 0.71 0.00 0.00 52.55 54.49 1sh5 s ASP 211 Cb -0.10 -2.28 0.86 0.00 1.01 0.00 0.00 42.92 42.40 1sh5 s ASP 211 CO -0.00 0.27 1.76 -0.65 0.21 0.00 0.00 175.17 176.76 1sh5 h PRO 212 N 4.90 0.61 0.00 8.23 0.11 -1.92 0.40 132.00 144.33 1sh5 h PRO 212 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1sh5 h PRO 212 Cb 1.21 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sh5 h PRO 212 CO 0.64 0.41 -0.01 0.93 -0.21 0.00 0.00 178.00 179.75 1sh5 h GLU 213 N 0.63 0.00 0.00 1.05 3.07 -1.95 -1.08 114.58 116.31 1sh5 h GLU 213 Ca 0.60 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1sh5 h GLU 213 Cb 1.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1sh5 h GLU 213 CO -0.40 0.01 -0.37 -0.25 -1.40 0.00 0.00 179.01 176.60 1sh5 n ASP 214 N -4.05 0.39 -0.11 1.42 8.00 0.12 -4.14 116.55 118.19 1sh5 n ASP 214 Ca -0.03 -0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 1sh5 n ASP 214 Cb 0.09 0.03 -0.14 0.00 -0.02 0.00 0.00 41.12 41.08 1sh5 n ASP 214 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1sh5 n VAL 215 N -1.57 1.45 -1.68 2.53 0.31 -0.80 -4.69 118.33 113.89 1sh5 n VAL 215 Ca 0.06 -0.71 -0.42 0.00 -0.01 0.00 0.00 64.34 63.25 1sh5 n VAL 215 Cb 0.35 -0.97 -0.01 0.00 -0.91 0.00 0.00 33.84 32.30 1sh5 n VAL 215 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sh5 n ASP 216 N -3.02 3.73 -3.73 4.52 2.03 -0.47 -4.52 116.55 115.07 1sh5 n ASP 216 Ca -0.39 -2.82 -0.13 0.00 0.52 0.00 0.00 54.79 51.97 1sh5 n ASP 216 Cb 1.07 -1.60 -0.08 0.00 -0.72 0.00 0.00 41.12 39.80 1sh5 n ASP 216 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1sh5 s VAL 217 N 3.47 0.06 0.39 5.18 0.11 -1.26 -4.97 120.40 123.38 1sh5 s VAL 217 Ca 0.48 -0.52 0.11 0.00 -2.93 0.00 0.00 61.98 59.13 1sh5 s VAL 217 Cb 0.14 -0.78 0.14 0.00 -1.53 0.00 0.00 36.38 34.35 1sh5 s VAL 217 CO -0.06 -0.28 1.90 1.55 -3.33 0.00 0.00 175.10 174.88 1sh5 h PRO 218 N 3.50 0.11 -2.71 1.54 0.13 -1.98 -3.35 132.00 129.24 1sh5 h PRO 218 Ca -0.30 -0.03 -0.61 0.00 -0.87 0.00 0.00 66.00 64.19 1sh5 h PRO 218 Cb 1.19 -0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.90 1sh5 h PRO 218 CO 0.42 0.34 -0.75 1.04 -0.23 0.00 0.00 178.00 178.82 1sh5 n GLN 219 N -4.23 1.20 -1.48 0.86 1.13 -1.26 -4.70 117.38 108.90 1sh5 n GLN 219 Ca -0.02 -3.95 -0.33 0.00 -1.94 0.00 0.00 57.00 50.77 1sh5 n GLN 219 Cb 0.31 -2.01 0.08 0.00 0.11 0.00 0.00 30.24 28.73 1sh5 n GLN 219 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1sh5 s PRO 220 N -0.93 2.37 -0.15 -1.09 0.02 -1.26 -4.90 135.00 129.06 1sh5 s PRO 220 Ca 0.29 1.43 -0.29 0.00 0.02 0.00 0.00 61.00 62.45 1sh5 s PRO 220 Cb 0.01 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.61 1sh5 s PRO 220 CO -0.17 -1.59 1.45 0.34 -0.33 0.00 0.00 177.00 176.70 1sh5 s ASP 221 N -2.66 6.73 0.11 2.53 2.15 -1.26 -4.77 116.67 119.50 1sh5 s ASP 221 Ca 0.67 1.81 -0.25 0.00 0.43 0.00 0.00 52.55 55.21 1sh5 s ASP 221 Cb -0.22 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 39.77 1sh5 s ASP 221 CO 0.47 -0.93 1.68 -0.08 -0.17 0.00 0.00 175.17 176.14 1sh5 h GLU 222 N 9.17 -0.27 -0.23 4.34 4.81 -1.91 -2.28 114.58 128.20 1sh5 h GLU 222 Ca -0.32 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1sh5 h GLU 222 Cb 1.13 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1sh5 h GLU 222 CO 0.98 -0.18 -0.03 0.87 -0.73 0.00 0.00 179.01 179.91 1sh5 h LYS 223 N -0.28 0.35 -0.40 1.92 1.57 -1.91 -0.27 116.57 117.55 1sh5 h LYS 223 Ca 0.03 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1sh5 h LYS 223 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1sh5 h LYS 223 CO -0.09 0.41 0.05 0.77 -0.57 0.00 0.00 179.45 180.02 1sh5 h SER 224 N 0.34 0.65 -0.38 0.86 0.02 -1.88 -0.49 113.55 112.67 1sh5 h SER 224 Ca 0.08 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.71 1sh5 h SER 224 Cb 0.29 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1sh5 h SER 224 CO 0.01 0.76 0.09 0.40 -1.14 0.00 0.00 176.83 176.95 1sh5 h ILE 225 N 0.51 1.23 -0.71 3.27 1.08 -0.81 -2.06 117.51 120.01 1sh5 h ILE 225 Ca 0.12 -0.78 -0.05 0.00 -0.39 0.00 0.00 64.86 63.76 1sh5 h ILE 225 Cb 0.40 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1sh5 h ILE 225 CO 0.01 0.27 0.24 0.40 -0.69 0.00 0.00 178.15 178.38 1sh5 h ILE 226 N 0.46 1.26 -0.30 -0.67 2.04 -0.97 0.06 117.51 119.38 1sh5 h ILE 226 Ca 0.12 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.12 1sh5 h ILE 226 Cb 0.31 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1sh5 h ILE 226 CO 0.00 0.34 0.20 0.74 0.00 0.00 0.00 178.15 179.43 1sh5 h THR 227 N 1.04 1.08 -0.17 -0.27 2.02 -0.89 -0.45 112.91 115.27 1sh5 h THR 227 Ca 0.23 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1sh5 h THR 227 Cb 0.28 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1sh5 h THR 227 CO -0.01 0.07 0.01 0.22 0.37 0.00 0.00 175.52 176.19 1sh5 h TYR 228 N 0.41 0.31 -0.83 3.16 3.20 -1.04 -2.29 116.97 119.90 1sh5 h TYR 228 Ca 0.11 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1sh5 h TYR 228 Cb -0.05 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1sh5 h TYR 228 CO -0.06 0.48 0.49 0.28 -1.64 0.00 0.00 178.16 177.72 1sh5 h VAL 229 N 0.05 1.23 -0.25 1.81 2.07 -0.85 -0.89 116.25 119.42 1sh5 h VAL 229 Ca 0.05 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1sh5 h VAL 229 Cb 0.35 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1sh5 h VAL 229 CO 0.01 0.24 -0.12 -1.28 0.02 0.00 0.00 177.57 176.44 1sh5 h SER 230 N 1.14 0.40 0.35 0.57 0.87 -1.06 -1.51 113.55 114.30 1sh5 h SER 230 Ca 0.30 -0.09 -0.12 0.00 -1.23 0.00 0.00 61.79 60.65 1sh5 h SER 230 Cb -0.04 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1sh5 h SER 230 CO -0.06 0.55 -0.49 0.77 -0.53 0.00 0.00 176.83 177.08 1sh5 h SER 231 N 0.39 0.18 -0.13 6.23 4.64 -0.59 -1.83 113.55 122.43 1sh5 h SER 231 Ca 0.07 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1sh5 h SER 231 Cb 0.45 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1sh5 h SER 231 CO 0.03 0.64 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.55 1sh5 h LEU 232 N 0.14 0.24 -0.82 5.97 3.38 -0.60 -2.80 115.31 120.81 1sh5 h LEU 232 Ca 0.01 -0.33 0.16 0.00 0.09 0.00 0.00 57.88 57.80 1sh5 h LEU 232 Cb 0.92 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.50 1sh5 h LEU 232 CO 0.07 0.51 0.38 0.22 0.09 0.00 0.00 178.44 179.71 1sh5 h TYR 233 N -0.04 0.65 -0.12 1.13 5.03 -1.12 -0.54 116.97 121.97 1sh5 h TYR 233 Ca 0.04 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 1sh5 h TYR 233 Cb 0.39 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1sh5 h TYR 233 CO 0.04 0.10 -0.14 -0.44 -1.32 0.00 0.00 178.16 176.40 1sh5 h ASP 234 N 0.52 0.17 0.35 -2.11 5.19 -1.26 -2.46 116.42 116.82 1sh5 h ASP 234 Ca 0.46 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1sh5 h ASP 234 Cb 0.70 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.17 1sh5 h ASP 234 CO -0.40 0.34 -0.05 0.00 -3.12 0.00 0.00 179.24 176.01 1sh5 n ALA 235 N -2.49 2.64 -3.06 3.45 0.00 -0.23 -4.66 120.51 116.16 1sh5 n ALA 235 Ca -0.01 -0.22 -0.41 0.00 0.00 0.00 0.00 53.44 52.81 1sh5 n ALA 235 Cb 0.26 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.19 1sh5 n ALA 235 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1sh5 s MET 236 N -2.40 2.72 0.00 0.00 -1.94 -0.93 -5.06 119.30 111.70 1sh5 s MET 236 Ca 0.33 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.02 1sh5 s MET 236 Cb 0.21 -3.78 0.00 0.00 2.01 0.00 0.00 34.83 33.27 1sh5 s MET 236 CO 0.44 -0.85 0.07 -2.30 -0.01 0.00 0.00 175.02 172.38