#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 3.61 0.59 -2.13 -1.08 -1.26 -4.99 116.67 111.40 1sh5 s ASP 7 Ca 0.00 -0.64 0.28 0.00 -0.52 0.00 0.00 52.55 51.67 1sh5 s ASP 7 Cb 0.00 -1.57 1.66 0.00 -1.46 0.00 0.00 42.92 41.55 1sh5 s ASP 7 CO 0.00 -0.03 2.11 -0.08 0.52 0.00 0.00 175.17 177.69 1sh5 h GLU 8 N 7.98 0.00 -0.09 4.34 4.81 -2.01 -1.17 114.58 128.44 1sh5 h GLU 8 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1sh5 h GLU 8 Cb 1.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1sh5 h GLU 8 CO 0.62 0.00 0.05 0.00 -0.73 0.00 0.00 179.01 178.95 1sh5 h ARG 9 N 0.00 0.11 -0.12 1.92 -0.00 -1.94 -1.65 114.38 112.70 1sh5 h ARG 9 Ca 0.08 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.98 59.44 1sh5 h ARG 9 Cb 0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.39 1sh5 h ARG 9 CO -0.00 0.08 -0.43 -0.44 0.00 0.00 0.00 179.97 179.18 1sh5 h ASP 10 N 0.12 0.30 -0.36 7.04 3.45 -1.64 -0.24 116.42 125.09 1sh5 h ASP 10 Ca 0.03 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.34 1sh5 h ASP 10 Cb -0.01 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 1sh5 h ASP 10 CO -0.01 0.70 0.14 -0.09 -1.57 0.00 0.00 179.24 178.42 1sh5 h ARG 11 N 0.24 0.53 -0.63 3.56 2.43 -1.41 -2.36 114.38 116.75 1sh5 h ARG 11 Ca 0.02 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1sh5 h ARG 11 Cb 0.85 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 1sh5 h ARG 11 CO 0.07 0.52 0.14 0.28 -1.51 0.00 0.00 179.97 179.47 1sh5 h VAL 12 N 0.43 1.26 -0.31 0.20 2.07 -1.18 -2.05 116.25 116.66 1sh5 h VAL 12 Ca 0.12 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1sh5 h VAL 12 Cb 0.18 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1sh5 h VAL 12 CO -0.01 0.35 0.05 -0.61 0.02 0.00 0.00 177.57 177.38 1sh5 h GLN 13 N 0.92 0.52 -0.90 1.57 4.15 -0.96 0.39 115.11 120.79 1sh5 h GLN 13 Ca 0.20 -0.14 0.06 0.00 0.77 0.00 0.00 58.65 59.54 1sh5 h GLN 13 Cb 0.37 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.94 1sh5 h GLN 13 CO 0.00 0.61 0.57 -0.22 -1.93 0.00 0.00 178.83 177.86 1sh5 h LYS 14 N 0.35 1.01 -0.50 1.69 3.64 -1.31 -0.62 116.57 120.83 1sh5 h LYS 14 Ca 0.10 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.30 1sh5 h LYS 14 Cb 0.34 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1sh5 h LYS 14 CO 0.01 0.67 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.50 1sh5 h LYS 15 N 1.05 0.97 -0.18 1.90 3.64 -0.80 -1.37 116.57 121.78 1sh5 h LYS 15 Ca 0.39 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1sh5 h LYS 15 Cb 0.15 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1sh5 h LYS 15 CO -0.17 1.05 0.08 1.15 -2.27 0.00 0.00 179.45 179.29 1sh5 h THR 16 N 0.83 1.14 -0.47 1.00 2.02 -0.65 -1.83 112.91 114.95 1sh5 h THR 16 Ca 0.12 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1sh5 h THR 16 Cb 0.70 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1sh5 h THR 16 CO 0.05 0.14 -0.07 -0.26 0.37 0.00 0.00 175.52 175.75 1sh5 h PHE 17 N 0.15 0.89 -0.26 3.16 -1.00 -1.05 -1.08 116.94 117.75 1sh5 h PHE 17 Ca 0.06 -0.15 -0.00 0.00 2.81 0.00 0.00 57.97 60.69 1sh5 h PHE 17 Cb 0.14 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 1sh5 h PHE 17 CO -0.02 0.85 0.15 1.15 -1.61 0.00 0.00 178.31 178.84 1sh5 h THR 18 N 0.75 1.11 -0.72 -1.55 2.02 -1.11 0.37 112.91 113.78 1sh5 h THR 18 Ca 0.13 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1sh5 h THR 18 Cb 0.55 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 1sh5 h THR 18 CO 0.03 0.10 0.36 0.11 0.37 0.00 0.00 175.52 176.49 1sh5 h LYS 19 N 0.32 1.01 -0.22 6.66 1.57 -1.11 0.08 116.57 124.89 1sh5 h LYS 19 Ca 0.09 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1sh5 h LYS 19 Cb 0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1sh5 h LYS 19 CO -0.02 0.77 0.05 2.35 -0.57 0.00 0.00 179.45 182.04 1sh5 h TRP 20 N 1.01 0.36 -0.21 -1.35 7.01 -0.93 -1.60 115.95 120.25 1sh5 h TRP 20 Ca 0.25 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.21 1sh5 h TRP 20 Cb 0.08 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 1sh5 h TRP 20 CO 0.01 0.45 0.13 0.28 -2.79 0.00 0.00 178.44 176.52 1sh5 h VAL 21 N 0.17 1.08 -0.37 2.65 2.07 -0.74 -2.97 116.25 118.13 1sh5 h VAL 21 Ca 0.07 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1sh5 h VAL 21 Cb 0.27 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1sh5 h VAL 21 CO 0.00 0.07 0.18 0.78 0.02 0.00 0.00 177.57 178.63 1sh5 h ASN 22 N 0.26 0.46 0.35 0.57 2.35 -0.85 -1.19 115.58 117.53 1sh5 h ASN 22 Ca 0.08 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1sh5 h ASN 22 Cb 0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1sh5 h ASN 22 CO -0.01 0.39 -0.36 0.50 -1.65 0.00 0.00 177.43 176.30 1sh5 h LYS 23 N 0.52 0.00 0.14 0.81 3.64 -1.14 -3.10 116.57 117.45 1sh5 h LYS 23 Ca 0.13 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.28 1sh5 h LYS 23 Cb 0.06 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1sh5 h LYS 23 CO -0.02 0.36 -1.12 0.45 -2.27 0.00 0.00 179.45 176.85 1sh5 h HIS 24 N 0.00 0.55 -0.70 1.91 3.86 -1.16 -3.37 115.15 116.25 1sh5 h HIS 24 Ca -0.00 -0.40 0.15 0.00 -1.16 0.00 0.00 60.37 58.96 1sh5 h HIS 24 Cb 0.63 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 1sh5 h HIS 24 CO 0.00 1.43 0.48 -0.07 0.86 0.00 0.00 177.93 180.63 1sh5 h LEU 25 N -0.29 0.29 0.00 2.43 3.38 -1.20 0.02 115.31 119.93 1sh5 h LEU 25 Ca -0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sh5 h LEU 25 Cb 1.74 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1sh5 h LEU 25 CO 0.13 0.15 0.00 2.30 0.09 0.00 0.00 178.44 181.11 1sh5 n ILE 26 N -4.45 0.43 0.34 1.22 -5.35 -1.18 -2.20 119.36 108.16 1sh5 n ILE 26 Ca 0.13 0.11 0.09 0.00 -0.27 0.00 0.00 62.75 62.81 1sh5 n ILE 26 Cb 0.55 -0.73 0.24 0.00 -1.74 0.00 0.00 39.64 37.97 1sh5 n ILE 26 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sh5 n LYS 27 N -1.44 2.23 -2.25 6.28 4.76 -0.01 -4.96 118.16 122.78 1sh5 n LYS 27 Ca 0.07 -1.91 -0.36 0.00 -2.87 0.00 0.00 58.31 53.24 1sh5 n LYS 27 Cb 0.24 -1.42 -0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1sh5 n LYS 27 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1sh5 s HIS 28 N -1.32 2.73 -0.21 2.13 2.46 -0.94 -4.95 115.29 115.20 1sh5 s HIS 28 Ca 0.36 1.54 0.17 0.00 0.47 0.00 0.00 55.06 57.60 1sh5 s HIS 28 Cb 0.19 -3.33 0.17 0.00 -0.13 0.00 0.00 32.58 29.48 1sh5 s HIS 28 CO 0.25 -1.59 1.50 0.11 -2.47 0.00 0.00 174.74 172.55 1sh5 h TRP 29 N 1.50 0.00 -3.58 3.88 0.09 -1.93 -3.42 115.95 112.49 1sh5 h TRP 29 Ca -0.50 0.00 -0.61 0.00 0.09 0.00 0.00 58.89 57.87 1sh5 h TRP 29 Cb 1.26 0.00 -0.13 0.00 0.08 0.00 0.00 29.16 30.37 1sh5 h TRP 29 CO 0.52 0.37 -0.26 1.03 0.09 0.00 0.00 178.44 180.18 1sh5 s ARG 30 N -3.05 4.10 0.35 0.12 0.52 -1.26 -4.98 118.95 114.74 1sh5 s ARG 30 Ca 0.05 0.07 0.08 0.00 -0.52 0.00 0.00 55.73 55.41 1sh5 s ARG 30 Cb 0.07 -3.58 0.80 0.00 0.52 0.00 0.00 34.95 32.76 1sh5 s ARG 30 CO 0.72 -0.11 1.85 0.00 0.02 0.00 0.00 175.30 177.79 1sh5 h ALA 31 N 7.68 1.81 0.00 2.13 0.00 -1.99 -1.44 119.26 127.44 1sh5 h ALA 31 Ca -0.35 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1sh5 h ALA 31 Cb 1.16 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1sh5 h ALA 31 CO 0.68 -0.06 -0.13 0.93 0.00 0.00 0.00 179.25 180.67 1sh5 h GLU 32 N 0.72 0.00 0.00 0.00 3.07 -1.96 -2.59 114.58 113.81 1sh5 h GLU 32 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1sh5 h GLU 32 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1sh5 h GLU 32 CO -0.23 0.13 -0.22 0.00 -1.40 0.00 0.00 179.01 177.29 1sh5 n ALA 33 N -2.32 2.78 -1.72 3.43 0.00 -0.55 -4.63 120.51 117.51 1sh5 n ALA 33 Ca -0.02 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 1sh5 n ALA 33 Cb 0.23 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.64 2.52 -3.32 0.00 6.02 -0.98 -4.87 117.38 115.11 1sh5 n GLN 34 Ca 0.06 -2.50 -0.20 0.00 -0.01 0.00 0.00 57.00 54.35 1sh5 n GLN 34 Cb 0.36 -3.25 0.00 0.00 1.02 0.00 0.00 30.24 28.37 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 3.90 2.55 -0.10 -1.09 0.52 -1.26 -4.89 118.95 118.58 1sh5 s ARG 35 Ca 0.51 -1.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.23 1sh5 s ARG 35 Cb 0.12 -2.52 0.01 0.00 0.52 0.00 0.00 34.95 33.08 1sh5 s ARG 35 CO -0.01 -0.40 -0.20 -1.58 0.02 0.00 0.00 175.30 173.13 1sh5 s HIS 36 N -2.51 2.27 -0.14 -0.53 5.65 -1.26 -4.63 115.29 114.14 1sh5 s HIS 36 Ca 0.51 -0.98 -0.29 0.00 0.25 0.00 0.00 55.06 54.56 1sh5 s HIS 36 Cb -0.06 -1.56 -0.01 0.00 -1.18 0.00 0.00 32.58 29.78 1sh5 s HIS 36 CO 0.31 -0.43 0.98 0.42 -0.65 0.00 0.00 174.74 175.37 1sh5 s ILE 37 N 0.57 4.78 -0.18 0.89 -1.09 -1.26 -4.95 121.20 119.96 1sh5 s ILE 37 Ca -0.14 1.97 -0.06 0.00 -2.23 0.00 0.00 60.65 60.19 1sh5 s ILE 37 Cb -0.17 -4.28 -0.22 0.00 -1.58 0.00 0.00 42.46 36.21 1sh5 s ILE 37 CO 0.05 -0.03 0.12 -1.20 -1.23 0.00 0.00 174.94 172.65 1sh5 n SER 38 N 5.32 2.05 -3.71 3.58 7.64 -1.26 -4.89 113.62 122.34 1sh5 n SER 38 Ca 0.09 0.14 -0.24 0.00 1.01 0.00 0.00 58.87 59.87 1sh5 n SER 38 Cb 0.48 -0.74 -0.17 0.00 -1.01 0.00 0.00 64.21 62.77 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 -6.90 1.88 0.62 6.43 -1.08 -1.26 -5.03 116.67 111.33 1sh5 s ASP 39 Ca -0.28 -0.29 0.36 0.00 -0.52 0.00 0.00 52.55 51.82 1sh5 s ASP 39 Cb 0.08 -0.35 2.04 0.00 -1.46 0.00 0.00 42.92 43.22 1sh5 s ASP 39 CO 0.68 -0.26 2.29 0.25 0.52 0.00 0.00 175.17 178.65 1sh5 h LEU 40 N 8.36 0.00 -1.09 -1.34 5.85 -1.92 -0.55 115.31 124.62 1sh5 h LEU 40 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 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 0.25 0.01 -0.00 -1.22 -0.34 0.00 0.00 178.44 177.14 1sh5 n TYR 41 N -3.51 0.00 -0.05 1.25 4.01 -1.26 -4.08 117.16 113.52 1sh5 n TYR 41 Ca -0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1sh5 n TYR 41 Cb 0.09 -0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 1sh5 n TYR 41 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1sh5 n GLU 42 N 0.32 0.26 -0.07 -0.72 -0.58 -0.62 -4.43 120.64 114.82 1sh5 n GLU 42 Ca 0.18 0.06 0.11 0.00 -0.42 0.00 0.00 57.16 57.10 1sh5 n GLU 42 Cb 0.39 -1.19 0.40 0.00 -0.57 0.00 0.00 31.44 30.48 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 -2.86 1.63 -0.51 1.62 8.00 -0.31 -2.54 116.55 121.57 1sh5 n ASP 43 Ca -0.19 -1.67 0.08 0.00 0.71 0.00 0.00 54.79 53.73 1sh5 n ASP 43 Cb 0.69 -0.09 0.03 0.00 -0.02 0.00 0.00 41.12 41.74 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 0.29 1.99 0.10 0.64 4.77 -1.26 -4.52 117.00 119.02 1sh5 n LEU 44 Ca 0.17 -0.87 0.02 0.00 -0.03 0.00 0.00 56.01 55.30 1sh5 n LEU 44 Cb 0.33 0.00 0.39 0.00 -2.33 0.00 0.00 43.42 41.81 1sh5 n LEU 44 CO 0.14 0.37 0.92 0.03 -1.33 0.00 0.00 177.39 177.51 1sh5 h ARG 45 N 2.51 0.29 -0.01 3.23 3.08 -1.67 -2.17 114.38 119.64 1sh5 h ARG 45 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1sh5 h ARG 45 Cb 0.63 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1sh5 h ARG 45 CO 0.00 0.39 -0.11 -0.40 -1.07 0.00 0.00 179.97 178.78 1sh5 n ASP 46 N -4.30 0.75 0.00 7.04 5.68 -1.26 -4.21 116.55 120.26 1sh5 n ASP 46 Ca -0.00 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1sh5 n ASP 46 Cb 0.24 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 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 1.24 2.80 0.12 6.12 0.00 -0.82 -4.50 105.19 110.16 1sh5 n GLY 47 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 0.30 -0.48 1.61 3.86 -1.90 -2.03 115.15 116.52 1sh5 h HIS 48 Ca 0.00 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.13 1sh5 h HIS 48 Cb 0.00 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 1sh5 h HIS 48 CO 0.00 0.45 0.14 -0.91 0.86 0.00 0.00 177.93 178.46 1sh5 h ASN 49 N 0.07 0.66 -0.44 2.45 2.35 -1.89 -0.86 115.58 117.92 1sh5 h ASN 49 Ca 0.05 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1sh5 h ASN 49 Cb 0.31 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1sh5 h ASN 49 CO 0.00 0.64 0.14 0.25 -1.65 0.00 0.00 177.43 176.81 1sh5 h LEU 50 N 0.70 0.64 -0.14 1.61 6.46 -1.82 -0.84 115.31 121.91 1sh5 h LEU 50 Ca 0.16 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1sh5 h LEU 50 Cb 0.23 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 1sh5 h LEU 50 CO -0.01 0.67 0.06 0.40 -0.62 0.00 0.00 178.44 178.94 1sh5 h ILE 51 N 0.57 1.16 -0.98 4.05 2.04 -1.26 -2.02 117.51 121.07 1sh5 h ILE 51 Ca 0.14 -0.48 0.09 0.00 1.00 0.00 0.00 64.86 65.61 1sh5 h ILE 51 Cb 0.27 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 1sh5 h ILE 51 CO -0.00 0.15 0.62 0.28 0.00 0.00 0.00 178.15 179.19 1sh5 h SER 52 N 0.07 0.94 -0.34 1.72 0.02 -1.11 0.02 113.55 114.87 1sh5 h SER 52 Ca 0.05 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1sh5 h SER 52 Cb 0.18 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1sh5 h SER 52 CO -0.00 0.56 0.19 0.25 -1.14 0.00 0.00 176.83 176.68 1sh5 h LEU 53 N 1.05 0.42 -1.19 5.07 5.85 -0.90 -0.90 115.31 124.71 1sh5 h LEU 53 Ca 0.45 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.04 1sh5 h LEU 53 Cb 0.32 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1sh5 h LEU 53 CO -0.22 0.37 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.09 1sh5 h LEU 54 N 0.43 0.43 -0.14 2.25 3.38 -0.52 -0.95 115.31 120.19 1sh5 h LEU 54 Ca 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1sh5 h LEU 54 Cb 0.04 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1sh5 h LEU 54 CO -0.02 0.57 0.06 -0.33 0.09 0.00 0.00 178.44 178.80 1sh5 h GLU 55 N 0.43 0.21 -0.26 1.13 5.08 -0.66 -0.60 114.58 119.91 1sh5 h GLU 55 Ca 0.08 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1sh5 h GLU 55 Cb 0.43 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1sh5 h GLU 55 CO 0.02 0.30 -0.36 -0.39 -1.00 0.00 0.00 179.01 177.58 1sh5 h VAL 56 N 0.08 1.29 -0.04 3.13 -1.51 -0.87 -0.27 116.25 118.06 1sh5 h VAL 56 Ca 0.05 -1.50 -0.13 0.00 -1.23 0.00 0.00 66.70 63.89 1sh5 h VAL 56 Cb 0.17 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 1sh5 h VAL 56 CO -0.00 0.48 -0.56 -0.07 -1.23 0.00 0.00 177.57 176.19 1sh5 h LEU 57 N 0.48 0.13 0.00 4.19 3.38 -1.03 -3.28 115.31 119.18 1sh5 h LEU 57 Ca 0.05 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 1sh5 h LEU 57 Cb 0.85 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1sh5 h LEU 57 CO 0.07 0.66 -1.88 -1.54 0.09 0.00 0.00 178.44 175.84 1sh5 n SER 58 N -3.89 0.23 0.00 -0.43 3.41 -0.25 -4.99 113.62 107.71 1sh5 n SER 58 Ca -0.02 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1sh5 n SER 58 Cb 0.57 1.31 0.00 0.00 -0.26 0.00 0.00 64.21 65.83 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 1.38 2.44 3.82 5.00 0.00 -0.12 -5.04 105.19 112.68 1sh5 n GLY 59 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.71 6.97 0.03 1.61 1.01 -1.23 -5.01 116.67 116.33 1sh5 s ASP 60 Ca 0.00 1.47 -0.15 0.00 0.71 0.00 0.00 52.55 54.58 1sh5 s ASP 60 Cb 0.00 -2.44 -0.06 0.00 1.01 0.00 0.00 42.92 41.43 1sh5 s ASP 60 CO 0.00 -0.14 0.44 -0.44 0.21 0.00 0.00 175.17 175.24 1sh5 s SER 61 N -1.97 6.82 0.11 0.27 0.01 -1.26 -4.32 113.70 113.35 1sh5 s SER 61 Ca 0.51 0.98 0.06 0.00 1.31 0.00 0.00 55.95 58.82 1sh5 s SER 61 Cb -0.13 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1sh5 s SER 61 CO 0.19 0.28 -0.14 -0.76 0.41 0.00 0.00 173.24 173.21 1sh5 s LEU 62 N -1.26 2.36 0.87 2.44 1.43 -1.26 -5.10 118.68 118.16 1sh5 s LEU 62 Ca 0.27 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 1sh5 s LEU 62 Cb -0.17 -0.56 0.11 0.00 0.03 0.00 0.00 46.19 45.61 1sh5 s LEU 62 CO 0.15 -0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.55 1sh5 s PRO 63 N -2.37 1.48 -0.21 1.29 0.04 -1.26 -5.06 135.00 128.91 1sh5 s PRO 63 Ca 0.06 0.85 -0.19 0.00 0.04 0.00 0.00 61.00 61.76 1sh5 s PRO 63 Cb -0.07 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.70 1sh5 s PRO 63 CO 0.03 -2.09 0.56 0.50 0.04 0.00 0.00 177.00 176.03 1sh5 s ARG 64 N -4.95 0.65 0.03 4.56 3.52 -1.26 -4.98 118.95 116.51 1sh5 s ARG 64 Ca 0.63 0.78 -0.18 0.00 -0.13 0.00 0.00 55.73 56.83 1sh5 s ARG 64 Cb -0.17 0.31 -0.06 0.00 -1.56 0.00 0.00 34.95 33.46 1sh5 s ARG 64 CO 0.57 -0.08 0.51 -1.21 -0.81 0.00 0.00 175.30 174.28 1sh5 s GLU 65 N 0.34 4.13 -0.00 5.12 0.41 -1.26 -5.03 118.70 122.41 1sh5 s GLU 65 Ca -0.00 0.61 0.21 0.00 -0.41 0.00 0.00 54.97 55.38 1sh5 s GLU 65 Cb -0.04 -3.26 -0.23 0.00 -1.78 0.00 0.00 34.13 28.82 1sh5 s GLU 65 CO 0.00 0.60 0.88 1.63 -0.49 0.00 0.00 175.26 177.88 1sh5 n LYS 66 N 1.98 0.06 -1.04 1.61 4.76 -1.26 -4.97 118.16 119.31 1sh5 n LYS 66 Ca -0.11 -0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.03 1sh5 n LYS 66 Cb 0.51 -1.49 0.23 0.00 -1.84 0.00 0.00 35.03 32.44 1sh5 n LYS 66 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1sh5 s GLY 67 N -3.04 1.56 -0.05 0.72 0.00 -1.26 -5.00 107.32 100.26 1sh5 s GLY 67 Ca 0.07 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.11 1sh5 s GLY 67 CO 0.87 0.06 1.02 0.54 0.00 0.00 0.00 173.10 175.58 1sh5 n ARG 68 N -4.68 2.00 -2.27 2.90 1.74 -1.26 -4.74 116.66 110.35 1sh5 n ARG 68 Ca 0.10 -1.79 -0.25 0.00 -0.77 0.00 0.00 57.85 55.15 1sh5 n ARG 68 Cb 0.59 -1.12 0.07 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.55 2.21 0.37 5.56 -1.94 -1.26 -4.98 119.30 117.72 1sh5 s MET 69 Ca 0.11 -0.35 0.09 0.00 -1.71 0.00 0.00 55.69 53.83 1sh5 s MET 69 Cb 0.10 -2.21 0.83 0.00 2.01 0.00 0.00 34.83 35.56 1sh5 s MET 69 CO 0.01 -1.19 1.91 -0.09 -0.01 0.00 0.00 175.02 175.65 1sh5 h ARG 70 N -0.52 0.65 -0.22 2.03 9.65 -2.00 -2.16 114.38 121.81 1sh5 h ARG 70 Ca -0.44 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.43 1sh5 h ARG 70 Cb 1.31 -0.15 -0.03 0.00 -1.39 0.00 0.00 29.97 29.72 1sh5 h ARG 70 CO 0.58 0.43 0.04 0.35 2.80 0.00 0.00 179.97 184.17 1sh5 h PHE 71 N 0.67 0.06 -0.78 2.20 3.57 -1.98 -0.80 116.94 119.87 1sh5 h PHE 71 Ca 0.39 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 1sh5 h PHE 71 Cb 0.59 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1sh5 h PHE 71 CO -0.00 0.01 0.29 0.45 -2.23 0.00 0.00 178.31 176.83 1sh5 h HIS 72 N 0.12 1.22 -0.07 0.41 -0.00 -1.70 -1.55 115.15 113.57 1sh5 h HIS 72 Ca 0.10 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1sh5 h HIS 72 Cb 0.10 -0.36 -0.00 0.00 -0.00 0.00 0.00 27.41 27.15 1sh5 h HIS 72 CO -0.16 0.93 0.02 0.87 -0.00 0.00 0.00 177.93 179.59 1sh5 h LYS 73 N 1.15 0.11 -0.70 2.45 1.57 -1.32 0.38 116.57 120.21 1sh5 h LYS 73 Ca 0.26 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1sh5 h LYS 73 Cb 0.25 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1sh5 h LYS 73 CO -0.02 0.31 0.40 -0.07 -0.57 0.00 0.00 179.45 179.51 1sh5 h LEU 74 N -0.10 0.85 -0.40 2.94 3.38 -1.09 -1.40 115.31 119.49 1sh5 h LEU 74 Ca 0.02 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1sh5 h LEU 74 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1sh5 h LEU 74 CO 0.00 0.67 -0.37 -0.61 0.09 0.00 0.00 178.44 178.22 1sh5 h GLN 75 N 0.97 0.95 -0.80 1.13 5.75 -1.15 -1.66 115.11 120.30 1sh5 h GLN 75 Ca 0.25 -0.49 -0.02 0.00 -0.15 0.00 0.00 58.65 58.23 1sh5 h GLN 75 Cb -0.00 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1sh5 h GLN 75 CO -0.04 1.15 0.41 -0.91 -2.65 0.00 0.00 178.83 176.79 1sh5 h ASN 76 N 0.78 1.02 -0.42 -0.69 2.35 -0.38 0.03 115.58 118.26 1sh5 h ASN 76 Ca 0.07 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1sh5 h ASN 76 Cb 0.97 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1sh5 h ASN 76 CO 0.09 0.84 -0.10 0.58 -1.65 0.00 0.00 177.43 177.20 1sh5 h VAL 77 N 1.13 1.27 -0.90 2.81 2.07 -1.19 -2.60 116.25 118.85 1sh5 h VAL 77 Ca 0.28 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.62 1sh5 h VAL 77 Cb 0.07 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1sh5 h VAL 77 CO -0.04 0.40 0.59 -0.61 0.02 0.00 0.00 177.57 177.93 1sh5 h GLN 78 N 0.63 1.15 -0.46 1.57 5.75 -0.83 -0.64 115.11 122.28 1sh5 h GLN 78 Ca 0.11 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1sh5 h GLN 78 Cb 0.63 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 1sh5 h GLN 78 CO 0.04 0.76 0.27 0.82 -2.65 0.00 0.00 178.83 178.08 1sh5 h ILE 79 N 1.18 1.05 -0.27 2.39 2.04 -0.72 0.19 117.51 123.37 1sh5 h ILE 79 Ca 0.34 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1sh5 h ILE 79 Cb -0.09 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1sh5 h ILE 79 CO -0.09 0.10 0.15 0.00 0.00 0.00 0.00 178.15 178.31 1sh5 h ALA 80 N 1.21 0.35 -0.19 1.87 0.00 -1.05 -1.85 119.26 119.60 1sh5 h ALA 80 Ca 0.19 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1sh5 h ALA 80 Cb 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sh5 h ALA 80 CO -0.08 -0.12 -0.55 -0.07 0.00 0.00 0.00 179.25 178.42 1sh5 h LEU 81 N 0.33 0.64 -0.71 0.00 3.38 -0.64 -2.73 115.31 115.57 1sh5 h LEU 81 Ca 0.10 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1sh5 h LEU 81 Cb 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1sh5 h LEU 81 CO -0.02 1.06 0.40 0.44 0.09 0.00 0.00 178.44 180.42 1sh5 h ASP 82 N 0.44 0.87 -0.90 -0.43 3.32 -0.62 -1.51 116.42 117.59 1sh5 h ASP 82 Ca 0.01 -0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.03 1sh5 h ASP 82 Cb 1.10 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 1sh5 h ASP 82 CO 0.11 0.70 0.59 0.22 -1.72 0.00 0.00 179.24 179.14 1sh5 h TYR 83 N 0.97 1.05 -0.10 4.55 3.20 -1.25 0.18 116.97 125.58 1sh5 h TYR 83 Ca 0.25 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 1sh5 h TYR 83 Cb 0.01 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.94 1sh5 h TYR 83 CO -0.01 0.57 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.74 1sh5 h LEU 84 N 1.05 0.42 -0.09 2.82 4.07 -1.12 -2.36 115.31 120.10 1sh5 h LEU 84 Ca 0.38 -0.59 0.03 0.00 0.08 0.00 0.00 57.88 57.78 1sh5 h LEU 84 Cb 0.14 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 1sh5 h LEU 84 CO -0.13 0.94 -0.11 0.03 -1.08 0.00 0.00 178.44 178.08 1sh5 h ARG 85 N -0.07 -0.15 -1.02 1.13 3.08 -1.03 -1.86 114.38 114.47 1sh5 h ARG 85 Ca -0.01 0.01 0.28 0.00 0.07 0.00 0.00 59.98 60.34 1sh5 h ARG 85 Cb 0.89 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 1sh5 h ARG 85 CO 0.06 -0.10 0.71 1.25 -1.07 0.00 0.00 179.97 180.82 1sh5 h HIS 86 N -0.15 0.21 -0.33 3.04 2.76 -0.61 0.68 115.15 120.74 1sh5 h HIS 86 Ca 0.07 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1sh5 h HIS 86 Cb 0.25 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.15 1sh5 h HIS 86 CO -0.22 0.03 0.00 0.54 -1.30 0.00 0.00 177.93 176.98 1sh5 n ARG 87 N -4.35 3.21 -3.60 5.26 1.74 -0.89 -4.94 116.66 113.10 1sh5 n ARG 87 Ca 0.22 -1.80 -0.24 0.00 -0.77 0.00 0.00 57.85 55.26 1sh5 n ARG 87 Cb 1.01 -1.93 0.08 0.00 -1.02 0.00 0.00 32.46 30.60 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 0.37 -7.77 -3.44 5.56 6.02 0.24 -4.99 117.38 113.36 1sh5 n GLN 88 Ca 0.16 0.82 -0.37 0.00 -0.01 0.00 0.00 57.00 57.60 1sh5 n GLN 88 Cb 0.78 -5.87 -0.07 0.00 1.02 0.00 0.00 30.24 26.11 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 -3.32 5.25 -0.59 5.09 1.01 -0.75 -5.01 120.40 122.07 1sh5 s VAL 89 Ca 0.54 0.73 -0.28 0.00 0.00 0.00 0.00 61.98 62.98 1sh5 s VAL 89 Cb -0.24 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1sh5 s VAL 89 CO 0.73 0.37 1.37 -0.75 0.00 0.00 0.00 175.10 176.82 1sh5 s LYS 90 N 0.47 3.31 -0.20 2.72 2.47 -1.26 -4.44 119.74 122.80 1sh5 s LYS 90 Ca 0.21 0.33 -0.06 0.00 -1.56 0.00 0.00 55.97 54.88 1sh5 s LYS 90 Cb -0.14 -4.12 -0.03 0.00 -1.46 0.00 0.00 37.83 32.08 1sh5 s LYS 90 CO 0.07 -1.94 0.03 -0.51 0.16 0.00 0.00 175.35 173.16 1sh5 s LEU 91 N 5.90 3.45 0.01 5.43 1.02 -1.26 -5.06 118.68 128.17 1sh5 s LEU 91 Ca 0.49 -0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.53 1sh5 s LEU 91 Cb -0.10 -1.88 -0.01 0.00 0.02 0.00 0.00 46.19 44.22 1sh5 s LEU 91 CO 0.24 0.08 -0.05 0.54 0.02 0.00 0.00 176.35 177.17 1sh5 s VAL 92 N 0.93 0.36 -0.35 -1.59 0.11 -1.26 -4.82 120.40 113.78 1sh5 s VAL 92 Ca 0.02 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1sh5 s VAL 92 Cb -0.14 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 1sh5 s VAL 92 CO 0.02 -0.05 0.00 0.59 -3.33 0.00 0.00 175.10 172.33 1sh5 n ASN 93 N 2.55 -3.43 -4.24 3.54 5.03 -1.26 -5.04 115.26 112.40 1sh5 n ASN 93 Ca -0.16 0.08 -0.34 0.00 0.87 0.00 0.00 54.58 55.04 1sh5 n ASN 93 Cb 0.57 -1.23 -0.15 0.00 -1.02 0.00 0.00 39.78 37.96 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 -2.11 2.78 0.30 2.41 1.01 -1.26 -5.07 121.20 119.25 1sh5 s ILE 94 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1sh5 s ILE 94 Cb 0.00 -2.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 1sh5 s ILE 94 CO 0.00 0.48 0.13 0.00 0.00 0.00 0.00 174.94 175.56 1sh5 s ARG 95 N 1.24 2.53 0.00 2.79 3.03 -1.26 -5.03 118.95 122.24 1sh5 s ARG 95 Ca 0.03 -1.36 0.00 0.00 2.03 0.00 0.00 55.73 56.43 1sh5 s ARG 95 Cb -0.14 -2.30 0.00 0.00 -1.03 0.00 0.00 34.95 31.48 1sh5 s ARG 95 CO -0.06 0.25 0.00 0.09 -1.13 0.00 0.00 175.30 174.46 1sh5 n ASN 96 N -1.11 0.00 -0.02 -2.89 5.03 -1.26 -1.41 115.26 113.60 1sh5 n ASN 96 Ca -0.05 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.37 1sh5 n ASN 96 Cb 0.60 0.00 0.20 0.00 -1.02 0.00 0.00 39.78 39.56 1sh5 n ASN 96 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1sh5 h ASP 97 N 0.00 0.56 -0.50 6.41 3.32 -1.96 -1.68 116.42 122.57 1sh5 h ASP 97 Ca 0.00 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 1sh5 h ASP 97 Cb 0.00 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1sh5 h ASP 97 CO 0.00 0.74 0.02 0.44 -1.72 0.00 0.00 179.24 178.72 1sh5 h ASP 98 N 0.51 0.90 0.16 6.45 3.32 -1.65 -0.58 116.42 125.53 1sh5 h ASP 98 Ca 0.09 -0.23 -0.31 0.00 0.02 0.00 0.00 57.03 56.60 1sh5 h ASP 98 Cb 0.58 -0.24 0.03 0.00 0.22 0.00 0.00 39.33 39.93 1sh5 h ASP 98 CO 0.04 0.95 -1.30 0.40 -1.72 0.00 0.00 179.24 177.61 1sh5 h ILE 99 N 0.86 1.28 0.00 0.35 1.08 -1.41 -1.47 117.51 118.20 1sh5 h ILE 99 Ca 0.16 -2.51 -0.04 0.00 -0.39 0.00 0.00 64.86 62.08 1sh5 h ILE 99 Cb 0.48 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 1sh5 h ILE 99 CO 0.02 0.76 -0.20 0.00 -0.69 0.00 0.00 178.15 178.04 1sh5 h ALA 100 N 0.27 1.26 -0.00 1.87 0.00 -1.15 -2.50 119.26 119.00 1sh5 h ALA 100 Ca -0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1sh5 h ALA 100 Cb 1.97 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1sh5 h ALA 100 CO 0.25 0.25 -0.52 -0.25 0.00 0.00 0.00 179.25 178.97 1sh5 n ASP 101 N -3.71 0.55 0.00 0.00 8.00 -0.24 -4.81 116.55 116.34 1sh5 n ASP 101 Ca -0.01 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1sh5 n ASP 101 Cb 0.31 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 1.49 0.79 3.62 0.44 0.00 -0.94 -5.00 105.19 105.59 1sh5 n GLY 102 Ca 0.06 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1sh5 n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sh5 n ASN 103 N 1.45 3.54 0.20 1.61 5.15 -0.57 -4.89 115.26 121.75 1sh5 n ASN 103 Ca 0.00 0.42 -0.15 0.00 -0.60 0.00 0.00 54.58 54.26 1sh5 n ASN 103 Cb 0.32 -1.55 -0.07 0.00 -0.53 0.00 0.00 39.78 37.96 1sh5 n ASN 103 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1sh5 h PRO 104 N 13.66 -0.54 -0.58 1.20 0.11 -1.94 0.03 132.00 143.94 1sh5 h PRO 104 Ca -0.44 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1sh5 h PRO 104 Cb 1.24 0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.45 1sh5 h PRO 104 CO 0.95 -0.36 0.38 -0.22 -0.21 0.00 0.00 178.00 178.55 1sh5 h LYS 105 N -0.56 0.77 0.00 1.05 3.64 -1.99 -1.15 116.57 118.33 1sh5 h LYS 105 Ca -0.02 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 1sh5 h LYS 105 Cb 0.49 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1sh5 h LYS 105 CO -0.00 0.52 -0.57 -0.07 -2.27 0.00 0.00 179.45 177.06 1sh5 h LEU 106 N 0.79 0.00 -0.02 5.20 3.38 -1.93 -1.51 115.31 121.22 1sh5 h LEU 106 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1sh5 h LEU 106 Cb -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1sh5 h LEU 106 CO -0.05 0.57 -0.01 0.74 0.09 0.00 0.00 178.44 179.78 1sh5 h THR 107 N 0.00 1.32 -0.90 0.22 2.02 -0.54 -1.42 112.91 113.62 1sh5 h THR 107 Ca -0.01 -0.98 0.09 0.00 0.77 0.00 0.00 66.41 66.28 1sh5 h THR 107 Cb 1.19 1.94 -0.07 0.00 -1.74 0.00 0.00 68.15 69.47 1sh5 h THR 107 CO 0.07 0.26 0.55 -0.07 0.37 0.00 0.00 175.52 176.70 1sh5 h LEU 108 N -0.34 0.83 -0.76 2.58 3.38 -1.17 -1.88 115.31 117.94 1sh5 h LEU 108 Ca 0.01 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1sh5 h LEU 108 Cb 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1sh5 h LEU 108 CO 0.00 0.49 -0.09 1.23 0.09 0.00 0.00 178.44 180.17 1sh5 h GLY 109 N 0.94 0.92 0.65 0.83 0.00 -1.18 -0.01 103.07 105.22 1sh5 h GLY 109 Ca 0.41 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1sh5 h GLY 109 CO -0.22 0.63 -0.01 -2.00 0.00 0.00 0.00 176.54 174.95 1sh5 h LEU 110 N 0.77 -0.02 -0.54 3.11 6.46 -0.88 -1.68 115.31 122.53 1sh5 h LEU 110 Ca 0.13 -0.34 0.01 0.00 -0.12 0.00 0.00 57.88 57.56 1sh5 h LEU 110 Cb 0.59 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1sh5 h LEU 110 CO 0.04 0.33 0.36 0.40 -0.62 0.00 0.00 178.44 178.95 1sh5 h ILE 111 N -0.37 1.14 -0.73 4.05 1.08 -1.19 -1.82 117.51 119.67 1sh5 h ILE 111 Ca -0.00 -0.25 0.11 0.00 -0.39 0.00 0.00 64.86 64.33 1sh5 h ILE 111 Cb 0.36 0.34 -0.08 0.00 -3.07 0.00 0.00 36.82 34.36 1sh5 h ILE 111 CO 0.00 0.13 0.33 -0.25 -0.69 0.00 0.00 178.15 177.68 1sh5 h TRP 112 N 0.74 0.58 -0.94 1.37 2.91 -0.85 -1.32 115.95 118.44 1sh5 h TRP 112 Ca 0.20 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.29 1sh5 h TRP 112 Cb -0.09 -0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 28.36 1sh5 h TRP 112 CO -0.04 0.16 0.61 1.15 -1.03 0.00 0.00 178.44 179.29 1sh5 h THR 113 N 0.53 1.13 -0.22 2.65 2.02 -0.93 0.45 112.91 118.54 1sh5 h THR 113 Ca 0.38 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1sh5 h THR 113 Cb 0.48 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1sh5 h THR 113 CO -0.32 0.21 0.02 0.40 0.37 0.00 0.00 175.52 176.19 1sh5 h ILE 114 N 1.16 1.24 -0.47 3.11 2.04 -0.68 -1.57 117.51 122.34 1sh5 h ILE 114 Ca 0.38 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 1sh5 h ILE 114 Cb 0.05 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1sh5 h ILE 114 CO -0.14 0.26 0.29 0.40 0.00 0.00 0.00 178.15 178.96 1sh5 h ILE 115 N 0.16 1.14 -0.44 -0.67 2.04 -0.89 0.43 117.51 119.29 1sh5 h ILE 115 Ca 0.07 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1sh5 h ILE 115 Cb 0.36 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1sh5 h ILE 115 CO 0.01 0.14 0.13 0.25 0.00 0.00 0.00 178.15 178.68 1sh5 h LEU 116 N 0.63 0.64 -0.07 1.44 5.85 -0.85 0.42 115.31 123.37 1sh5 h LEU 116 Ca 0.17 -0.21 -0.25 0.00 0.84 0.00 0.00 57.88 58.43 1sh5 h LEU 116 Cb -0.02 -0.17 0.02 0.00 0.37 0.00 0.00 40.66 40.85 1sh5 h LEU 116 CO -0.03 0.68 -0.95 -0.74 -0.34 0.00 0.00 178.44 177.05 1sh5 h HIS 117 N 0.57 1.00 0.03 1.25 2.76 -1.13 -0.83 115.15 118.80 1sh5 h HIS 117 Ca 0.14 -0.51 -0.31 0.00 -2.20 0.00 0.00 60.37 57.49 1sh5 h HIS 117 Cb 0.27 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 1sh5 h HIS 117 CO 0.01 1.35 -1.79 1.19 -1.30 0.00 0.00 177.93 177.39 1sh5 n PHE 118 N -3.87 1.02 -0.04 5.26 3.01 0.13 -4.54 117.46 118.43 1sh5 n PHE 118 Ca -0.09 0.33 -0.06 0.00 1.01 0.00 0.00 57.45 58.63 1sh5 n PHE 118 Cb 0.84 -1.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.09 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 -3.12 0.21 0.03 -1.08 7.27 0.08 -4.81 117.38 115.96 1sh5 n GLN 119 Ca -0.20 0.05 -0.19 0.00 0.07 0.00 0.00 57.00 56.73 1sh5 n GLN 119 Cb 1.05 -1.13 -0.14 0.00 2.41 0.00 0.00 30.24 32.43 1sh5 n GLN 119 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1sh5 h ILE 120 N -0.04 0.81 0.00 1.69 2.04 -1.31 -3.33 117.51 117.37 1sh5 h ILE 120 Ca -0.20 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.16 1sh5 h ILE 120 Cb 1.29 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1sh5 h ILE 120 CO -0.04 0.82 0.00 -1.54 0.00 0.00 0.00 178.15 177.39 1sh5 n SER 121 N -3.44 0.00 -0.00 1.72 3.41 -0.32 -2.78 113.62 112.20 1sh5 n SER 121 Ca -0.26 -0.88 0.14 0.00 -0.26 0.00 0.00 58.87 57.62 1sh5 n SER 121 Cb 1.05 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.63 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 -0.80 0.05 -4.77 4.04 8.00 -1.25 -4.97 116.55 116.85 1sh5 n ASP 122 Ca 0.09 0.30 -0.39 0.00 0.71 0.00 0.00 54.79 55.49 1sh5 n ASP 122 Cb 0.04 -0.40 -0.02 0.00 -0.02 0.00 0.00 41.12 40.72 1sh5 n ASP 122 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sh5 s ILE 123 N -2.90 3.05 -0.08 0.53 1.09 -1.12 -5.04 121.20 116.73 1sh5 s ILE 123 Ca 0.17 0.97 -0.04 0.00 -1.10 0.00 0.00 60.65 60.65 1sh5 s ILE 123 Cb 0.19 -3.58 0.04 0.00 -1.06 0.00 0.00 42.46 38.06 1sh5 s ILE 123 CO 0.53 0.16 0.18 0.00 -0.10 0.00 0.00 174.94 175.70 1sh5 s GLN 124 N -1.99 0.10 -0.05 2.79 -2.07 -1.26 -5.05 119.66 112.13 1sh5 s GLN 124 Ca 0.52 0.47 -0.05 0.00 -1.82 0.00 0.00 55.36 54.49 1sh5 s GLN 124 Cb -0.34 -0.18 0.01 0.00 -1.09 0.00 0.00 33.01 31.41 1sh5 s GLN 124 CO 0.44 -0.21 0.14 0.54 -1.32 0.00 0.00 175.29 174.88 1sh5 s VAL 125 N 1.55 -0.00 0.23 3.63 0.11 -1.26 -5.11 120.40 119.53 1sh5 s VAL 125 Ca -0.06 0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 58.71 1sh5 s VAL 125 Cb -0.12 -0.20 -0.15 0.00 -1.53 0.00 0.00 36.38 34.38 1sh5 s VAL 125 CO -0.07 0.00 0.94 -1.54 -3.33 0.00 0.00 175.10 171.11 1sh5 n SER 126 N 3.07 0.67 -0.94 3.54 3.41 -1.26 -2.54 113.62 119.58 1sh5 n SER 126 Ca -0.13 1.16 -0.08 0.00 -0.26 0.00 0.00 58.87 59.56 1sh5 n SER 126 Cb 0.59 -1.18 -0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1sh5 n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sh5 n GLY 127 N 1.63 0.08 3.77 5.00 0.00 -1.26 -5.04 105.19 109.37 1sh5 n GLY 127 Ca 0.13 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.48 3.34 0.00 1.61 -0.21 -1.05 -5.08 119.66 113.80 1sh5 s GLN 128 Ca 0.02 1.74 0.00 0.00 0.02 0.00 0.00 55.36 57.13 1sh5 s GLN 128 Cb -0.01 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.91 1sh5 s GLN 128 CO 0.02 -0.89 0.00 0.45 -2.12 0.00 0.00 175.29 172.76 1sh5 n SER 129 N -1.17 -0.43 0.00 5.90 2.88 -1.26 -5.04 113.62 114.50 1sh5 n SER 129 Ca 0.11 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1sh5 n SER 129 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1sh5 n SER 129 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1sh5 n GLU 130 N -0.65 3.28 0.00 -1.46 2.13 -1.26 -4.54 120.64 118.15 1sh5 n GLU 130 Ca 0.00 -0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1sh5 n GLU 130 Cb 0.00 -0.25 0.71 0.00 0.27 0.00 0.00 31.44 32.18 1sh5 n GLU 130 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1sh5 n ASP 131 N -0.47 0.00 -4.71 4.31 5.75 -1.26 -4.88 116.55 115.28 1sh5 n ASP 131 Ca 0.00 -1.19 -0.41 0.00 -0.01 0.00 0.00 54.79 53.18 1sh5 n ASP 131 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 -2.00 4.55 0.68 0.11 -1.94 -1.26 -5.05 119.30 114.39 1sh5 s MET 132 Ca 0.36 1.32 -0.11 0.00 -1.71 0.00 0.00 55.69 55.55 1sh5 s MET 132 Cb 0.17 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.56 1sh5 s MET 132 CO 0.28 -0.00 1.06 0.99 -0.01 0.00 0.00 175.02 177.34 1sh5 s THR 133 N 0.87 4.03 0.20 2.05 2.01 -1.26 -4.85 115.64 118.69 1sh5 s THR 133 Ca 0.49 0.69 -0.11 0.00 0.31 0.00 0.00 61.69 63.07 1sh5 s THR 133 Cb -0.21 -3.41 0.13 0.00 0.01 0.00 0.00 72.50 69.01 1sh5 s THR 133 CO 0.26 -0.83 1.82 0.00 -0.69 0.00 0.00 174.62 175.18 1sh5 h ALA 134 N -0.58 0.84 -0.82 7.40 0.00 -1.96 -1.25 119.26 122.90 1sh5 h ALA 134 Ca -0.44 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1sh5 h ALA 134 Cb 1.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1sh5 h ALA 134 CO 0.57 0.09 0.35 -0.22 0.00 0.00 0.00 179.25 180.04 1sh5 h LYS 135 N 0.72 1.21 -0.73 0.00 3.64 -1.93 -1.34 116.57 118.14 1sh5 h LYS 135 Ca 0.27 -0.20 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1sh5 h LYS 135 Cb 0.09 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1sh5 h LYS 135 CO -0.14 0.96 0.23 0.93 -2.27 0.00 0.00 179.45 179.16 1sh5 h GLU 136 N 1.18 1.13 -0.56 1.90 5.08 -1.79 -0.36 114.58 121.16 1sh5 h GLU 136 Ca 0.28 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1sh5 h GLU 136 Cb 0.18 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1sh5 h GLU 136 CO -0.03 0.96 0.07 0.87 -1.00 0.00 0.00 179.01 179.88 1sh5 h LYS 137 N 1.08 0.90 -0.17 2.33 1.57 -0.87 -0.33 116.57 121.10 1sh5 h LYS 137 Ca 0.24 -0.22 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1sh5 h LYS 137 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1sh5 h LYS 137 CO -0.01 0.85 -0.48 1.25 -0.57 0.00 0.00 179.45 180.49 1sh5 h LEU 138 N 0.85 0.47 -0.22 2.94 5.85 -0.70 -1.44 115.31 123.05 1sh5 h LEU 138 Ca 0.17 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1sh5 h LEU 138 Cb 0.40 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1sh5 h LEU 138 CO 0.01 0.88 -0.14 0.25 -0.34 0.00 0.00 178.44 179.10 1sh5 h LEU 139 N 0.34 0.51 -0.33 2.25 5.85 -0.83 -1.47 115.31 121.64 1sh5 h LEU 139 Ca 0.02 -0.43 0.05 0.00 0.84 0.00 0.00 57.88 58.36 1sh5 h LEU 139 Cb 0.97 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 1sh5 h LEU 139 CO 0.08 0.83 0.02 0.25 -0.34 0.00 0.00 178.44 179.28 1sh5 h LEU 140 N 0.19 -0.09 -0.69 2.25 6.46 -0.89 0.88 115.31 123.42 1sh5 h LEU 140 Ca 0.05 0.07 0.10 0.00 -0.12 0.00 0.00 57.88 57.97 1sh5 h LEU 140 Cb 0.65 0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.62 1sh5 h LEU 140 CO 0.04 -0.01 0.33 -0.25 -0.62 0.00 0.00 178.44 177.93 1sh5 h TRP 141 N 0.12 0.58 -0.35 1.25 7.01 -1.20 -0.52 115.95 122.84 1sh5 h TRP 141 Ca 0.16 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.09 1sh5 h TRP 141 Cb 0.20 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1sh5 h TRP 141 CO -0.22 0.19 -0.17 0.77 -2.79 0.00 0.00 178.44 176.23 1sh5 h SER 142 N 0.56 0.76 -0.59 2.65 0.02 -0.30 -1.17 113.55 115.48 1sh5 h SER 142 Ca 0.35 -0.41 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1sh5 h SER 142 Cb 0.39 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1sh5 h SER 142 CO -0.28 1.00 0.34 1.56 -1.14 0.00 0.00 176.83 178.31 1sh5 h GLN 143 N 0.53 0.64 -0.74 3.45 4.20 -0.24 -2.75 115.11 120.20 1sh5 h GLN 143 Ca 0.08 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 1sh5 h GLN 143 Cb 0.71 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 1sh5 h GLN 143 CO 0.05 0.43 0.23 0.00 -0.67 0.00 0.00 178.83 178.86 1sh5 h ARG 144 N 0.66 1.16 0.00 1.46 2.47 -0.97 -2.75 114.38 116.41 1sh5 h ARG 144 Ca 0.25 -0.25 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 1sh5 h ARG 144 Cb 0.08 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.23 1sh5 h ARG 144 CO -0.13 0.99 -0.11 0.52 0.56 0.00 0.00 179.97 181.81 1sh5 h MET 145 N 1.11 0.00 -0.23 0.04 2.86 -0.96 -2.99 114.93 114.76 1sh5 h MET 145 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1sh5 h MET 145 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1sh5 h MET 145 CO -0.01 0.11 0.00 1.33 1.06 0.00 0.00 176.91 179.40 1sh5 n VAL 146 N -3.30 1.79 -0.13 -2.22 0.24 -1.06 -4.74 118.33 108.91 1sh5 n VAL 146 Ca -0.00 -1.63 -0.05 0.00 -2.04 0.00 0.00 64.34 60.62 1sh5 n VAL 146 Cb 0.32 0.01 0.04 0.00 -1.47 0.00 0.00 33.84 32.74 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 1.47 0.30 0.00 7.34 5.08 -1.34 -2.71 114.58 124.71 1sh5 h GLU 147 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sh5 h GLU 147 Cb 1.12 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1sh5 h GLU 147 CO 0.12 0.20 0.00 0.41 -1.00 0.00 0.00 179.01 178.73 1sh5 n GLY 148 N -1.24 -0.73 3.77 -3.84 0.00 -1.26 -4.82 105.19 97.07 1sh5 n GLY 148 Ca 0.03 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.48 3.43 0.00 1.61 1.51 -1.03 -5.04 117.35 115.36 1sh5 s TYR 149 Ca 0.15 0.35 0.00 0.00 -1.01 0.00 0.00 57.07 56.57 1sh5 s TYR 149 Cb 0.10 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1sh5 s TYR 149 CO 0.22 0.47 0.16 1.04 -1.11 0.00 0.00 175.55 176.33 1sh5 n GLN 150 N 2.75 0.00 -0.88 -0.62 1.13 -1.26 -3.29 117.38 115.20 1sh5 n GLN 150 Ca -0.18 0.11 -0.18 0.00 -1.94 0.00 0.00 57.00 54.81 1sh5 n GLN 150 Cb 0.53 -0.66 0.12 0.00 0.11 0.00 0.00 30.24 30.34 1sh5 n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1sh5 n GLY 151 N -0.27 3.88 3.70 1.08 0.00 -1.26 -4.93 105.19 107.38 1sh5 n GLY 151 Ca 0.00 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.35 3.86 0.01 0.99 1.43 -1.21 -5.09 118.68 116.33 1sh5 s LEU 152 Ca 0.40 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 1sh5 s LEU 152 Cb 0.34 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 1sh5 s LEU 152 CO 0.07 0.28 -0.05 -0.60 0.23 0.00 0.00 176.35 176.27 1sh5 s ARG 153 N -0.28 0.41 -0.37 1.70 3.52 -1.26 -4.94 118.95 117.73 1sh5 s ARG 153 Ca 0.08 -0.32 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1sh5 s ARG 153 Cb -0.12 -0.33 0.09 0.00 -1.56 0.00 0.00 34.95 33.03 1sh5 s ARG 153 CO 0.02 0.08 0.14 0.00 -0.81 0.00 0.00 175.30 174.73 1sh5 n ASP 155 N 4.64 0.78 -2.14 0.00 8.00 -1.26 -4.80 116.55 121.77 1sh5 n ASP 155 Ca -0.07 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.38 1sh5 n ASP 155 Cb 0.42 1.73 0.02 0.00 -0.02 0.00 0.00 41.12 43.27 1sh5 n ASP 155 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1sh5 n ASN 156 N -2.20 -1.44 -2.05 -2.24 0.23 -1.26 -5.04 115.26 101.25 1sh5 n ASN 156 Ca -0.07 -1.98 -0.26 0.00 -0.53 0.00 0.00 54.58 51.74 1sh5 n ASN 156 Cb 0.56 2.39 0.08 0.00 -2.08 0.00 0.00 39.78 40.72 1sh5 n ASN 156 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1sh5 n PHE 157 N -0.34 2.76 0.00 -2.53 3.72 -1.26 -4.59 117.46 115.21 1sh5 n PHE 157 Ca -0.05 -2.48 0.00 0.00 -0.05 0.00 0.00 57.45 54.87 1sh5 n PHE 157 Cb 0.37 -0.89 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 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 -0.89 0.00 0.23 4.37 -2.24 -1.26 -4.32 114.28 110.18 1sh5 n THR 158 Ca 0.52 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.38 1sh5 n THR 158 Cb 0.88 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.67 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 0.88 -0.03 4.28 1.35 -1.88 -2.01 112.91 115.50 1sh5 h THR 159 Ca 0.00 -0.80 0.01 0.00 -0.55 0.00 0.00 66.41 65.07 1sh5 h THR 159 Cb 0.00 1.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1sh5 h THR 159 CO 0.00 0.21 0.07 0.28 -0.25 0.00 0.00 175.52 175.83 1sh5 h SER 160 N 0.00 0.00 -0.01 5.36 0.02 -1.90 -2.78 113.55 114.24 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 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1sh5 h SER 160 CO 0.03 0.00 -0.64 0.79 -1.14 0.00 0.00 176.83 175.87 1sh5 n TRP 161 N -3.42 0.00 -0.29 3.45 7.02 -0.76 -4.58 117.44 118.86 1sh5 n TRP 161 Ca -0.02 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.54 1sh5 n TRP 161 Cb 0.15 0.00 0.31 0.00 -2.42 0.00 0.00 31.31 29.35 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 1.29 0.84 -0.02 -0.99 2.43 -1.57 -2.82 114.38 113.54 1sh5 h ARG 162 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1sh5 h ARG 162 Cb 0.59 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1sh5 h ARG 162 CO 0.00 0.55 -0.11 -0.40 -1.51 0.00 0.00 179.97 178.51 1sh5 n ASP 163 N -4.55 1.77 0.00 -3.80 5.68 -1.26 -4.38 116.55 110.01 1sh5 n ASP 163 Ca 0.16 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1sh5 n ASP 163 Cb 0.34 0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1sh5 n ASP 163 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sh5 n GLY 164 N 1.27 1.76 0.24 6.12 0.00 -1.07 -4.44 105.19 109.08 1sh5 n GLY 164 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 2.86 0.83 -0.47 1.61 3.08 -1.89 -2.38 114.38 118.01 1sh5 h ARG 165 Ca 0.00 -0.53 -0.04 0.00 0.07 0.00 0.00 59.98 59.49 1sh5 h ARG 165 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1sh5 h ARG 165 CO 0.00 1.16 0.14 -0.07 -1.07 0.00 0.00 179.97 180.13 1sh5 h LEU 166 N 0.64 0.69 -0.71 3.04 3.38 -1.88 -1.19 115.31 119.29 1sh5 h LEU 166 Ca 0.02 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1sh5 h LEU 166 Cb 1.14 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1sh5 h LEU 166 CO 0.12 0.72 0.42 -0.26 0.09 0.00 0.00 178.44 179.53 1sh5 h PHE 167 N 0.63 0.78 -0.27 1.13 0.04 -1.86 -1.03 116.94 116.37 1sh5 h PHE 167 Ca 0.15 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.86 1sh5 h PHE 167 Cb 0.28 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1sh5 h PHE 167 CO 0.01 0.40 -0.21 -0.91 -0.60 0.00 0.00 178.31 177.01 1sh5 h ASN 168 N 0.79 0.48 -0.19 2.17 2.35 -1.18 -2.57 115.58 117.44 1sh5 h ASN 168 Ca 0.30 -0.15 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 1sh5 h ASN 168 Cb 0.12 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1sh5 h ASN 168 CO -0.15 0.70 -0.57 0.00 -1.65 0.00 0.00 177.43 175.76 1sh5 h ALA 169 N 1.34 0.32 -0.45 -0.83 0.00 -0.75 -1.91 119.26 116.98 1sh5 h ALA 169 Ca 0.07 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1sh5 h ALA 169 Cb 0.61 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1sh5 h ALA 169 CO 0.04 0.55 0.26 0.82 0.00 0.00 0.00 179.25 180.92 1sh5 h ILE 170 N 0.43 1.14 0.02 0.00 2.04 -1.11 -1.23 117.51 118.79 1sh5 h ILE 170 Ca -0.02 -0.32 -0.19 0.00 1.00 0.00 0.00 64.86 65.33 1sh5 h ILE 170 Cb 1.19 0.52 0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1sh5 h ILE 170 CO 0.12 0.14 -0.77 0.40 0.00 0.00 0.00 178.15 178.05 1sh5 h ILE 171 N 0.62 1.39 -0.75 -0.67 2.04 -1.37 -3.28 117.51 115.49 1sh5 h ILE 171 Ca 0.16 -2.19 0.10 0.00 1.00 0.00 0.00 64.86 63.93 1sh5 h ILE 171 Cb -0.00 2.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.65 1sh5 h ILE 171 CO -0.03 0.65 0.49 -0.74 0.00 0.00 0.00 178.15 178.52 1sh5 h HIS 172 N 0.00 0.71 0.00 1.37 2.76 -1.15 -0.46 115.15 118.39 1sh5 h HIS 172 Ca -0.10 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 1sh5 h HIS 172 Cb 1.47 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 30.20 1sh5 h HIS 172 CO 0.14 0.34 -0.01 -0.09 -1.30 0.00 0.00 177.93 177.01 1sh5 h ARG 173 N 0.67 0.00 0.00 5.26 9.65 -1.28 -1.87 114.38 126.81 1sh5 h ARG 173 Ca 0.35 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 59.15 1sh5 h ARG 173 Cb 0.46 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.02 1sh5 h ARG 173 CO -0.13 0.01 -1.43 0.72 2.80 0.00 0.00 179.97 181.94 1sh5 n HIS 174 N -3.12 0.00 -3.17 2.20 8.25 -0.63 -4.79 115.22 113.96 1sh5 n HIS 174 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 1sh5 n HIS 174 Cb 0.16 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 1sh5 n HIS 174 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1sh5 n LYS 175 N -2.06 0.50 0.26 -0.41 4.01 -0.28 -5.01 118.16 115.18 1sh5 n LYS 175 Ca -0.07 -2.90 0.17 0.00 -0.51 0.00 0.00 58.31 55.00 1sh5 n LYS 175 Cb 0.51 -1.44 0.91 0.00 -0.51 0.00 0.00 35.03 34.50 1sh5 n LYS 175 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1sh5 h PRO 176 N 4.73 0.00 0.00 1.97 0.11 -1.56 -2.06 132.00 135.20 1sh5 h PRO 176 Ca 0.12 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1sh5 h PRO 176 Cb 0.93 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 1sh5 h PRO 176 CO 0.36 0.00 -0.22 0.00 -0.21 0.00 0.00 178.00 177.93 1sh5 h MET 177 N 0.00 0.00 0.01 1.05 -0.00 -1.95 -3.31 114.93 110.72 1sh5 h MET 177 Ca 0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.55 1sh5 h MET 177 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.83 1sh5 h MET 177 CO -0.00 0.22 -0.88 -0.07 -0.00 0.00 0.00 176.91 176.18 1sh5 h LEU 178 N 0.00 0.06 -8.06 -0.10 4.07 -1.75 -3.45 115.31 106.08 1sh5 h LEU 178 Ca -0.00 -0.05 -0.35 0.00 0.08 0.00 0.00 57.88 57.55 1sh5 h LEU 178 Cb 0.64 -0.02 -0.26 0.00 1.08 0.00 0.00 40.66 42.10 1sh5 h LEU 178 CO 0.03 0.91 -0.76 0.27 -1.08 0.00 0.00 178.44 177.81 1sh5 s ILE 179 N -3.04 0.63 -0.53 1.22 -5.25 -1.25 -5.09 121.20 107.90 1sh5 s ILE 179 Ca -0.00 -0.56 -0.18 0.00 -0.99 0.00 0.00 60.65 58.91 1sh5 s ILE 179 Cb 0.11 -0.57 0.08 0.00 2.95 0.00 0.00 42.46 45.03 1sh5 s ILE 179 CO 0.81 0.02 0.59 -0.62 -1.79 0.00 0.00 174.94 173.95 1sh5 s ASP 180 N -0.60 6.19 0.61 4.36 -1.08 -1.26 -4.93 116.67 119.96 1sh5 s ASP 180 Ca -0.00 -1.26 0.38 0.00 -0.52 0.00 0.00 52.55 51.15 1sh5 s ASP 180 Cb -0.05 -2.26 1.97 0.00 -1.46 0.00 0.00 42.92 41.12 1sh5 s ASP 180 CO 0.00 -0.91 2.22 0.24 0.52 0.00 0.00 175.17 177.24 1sh5 h MET 181 N 9.00 0.00 -0.08 4.34 2.86 -1.96 -2.13 114.93 126.96 1sh5 h MET 181 Ca -0.29 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.17 1sh5 h MET 181 Cb 1.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 1sh5 h MET 181 CO 1.00 0.02 -0.73 -0.91 1.06 0.00 0.00 176.91 177.35 1sh5 h ASN 182 N 0.00 0.50 -0.54 1.22 2.35 -2.01 -2.89 115.58 114.21 1sh5 h ASN 182 Ca -0.00 -0.33 -0.09 0.00 -0.55 0.00 0.00 56.30 55.33 1sh5 h ASN 182 Cb 0.18 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1sh5 h ASN 182 CO 0.00 1.07 -0.01 0.50 -1.65 0.00 0.00 177.43 177.34 1sh5 h LYS 183 N 0.29 0.99 -0.61 0.81 3.64 -1.82 -3.10 116.57 116.76 1sh5 h LYS 183 Ca -0.03 -0.31 0.08 0.00 -1.27 0.00 0.00 60.65 59.13 1sh5 h LYS 183 Cb 1.31 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 1sh5 h LYS 183 CO 0.13 0.98 0.26 0.28 -2.27 0.00 0.00 179.45 178.82 1sh5 h VAL 184 N 0.90 0.82 0.00 2.00 2.07 -1.28 -1.11 116.25 119.66 1sh5 h VAL 184 Ca 0.16 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1sh5 h VAL 184 Cb 0.54 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1sh5 h VAL 184 CO 0.03 0.08 0.00 1.88 0.02 0.00 0.00 177.57 179.58 1sh5 h TYR 185 N 0.46 0.00 0.00 1.57 -1.99 -1.44 -2.84 116.97 112.73 1sh5 h TYR 185 Ca 0.30 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.92 1sh5 h TYR 185 Cb 0.33 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.04 1sh5 h TYR 185 CO -0.14 0.00 -1.68 -2.13 -0.00 0.00 0.00 178.16 174.21 1sh5 n ARG 186 N -2.42 0.64 -2.47 4.88 0.63 -0.52 -5.01 116.66 112.39 1sh5 n ARG 186 Ca 0.02 0.03 -0.26 0.00 -0.92 0.00 0.00 57.85 56.72 1sh5 n ARG 186 Cb 0.28 -1.67 0.03 0.00 0.45 0.00 0.00 32.46 31.55 1sh5 n ARG 186 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1sh5 s GLN 187 N -3.14 2.84 0.83 -0.14 -0.21 -0.61 -5.08 119.66 114.15 1sh5 s GLN 187 Ca -0.05 -0.14 -0.11 0.00 0.02 0.00 0.00 55.36 55.08 1sh5 s GLN 187 Cb 0.10 -2.31 0.09 0.00 1.00 0.00 0.00 33.01 31.89 1sh5 s GLN 187 CO 0.84 -0.70 1.09 0.95 -2.12 0.00 0.00 175.29 175.35 1sh5 s THR 188 N -2.95 3.04 0.18 -0.19 -4.23 -1.26 -4.89 115.64 105.35 1sh5 s THR 188 Ca 0.54 0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 61.26 1sh5 s THR 188 Cb -0.10 -2.84 0.08 0.00 1.34 0.00 0.00 72.50 70.97 1sh5 s THR 188 CO 0.44 -0.44 1.77 0.78 -0.54 0.00 0.00 174.62 176.62 1sh5 h ASN 189 N -1.30 0.29 -0.45 3.99 2.35 -1.92 -1.99 115.58 116.55 1sh5 h ASN 189 Ca -0.46 0.04 0.05 0.00 -0.55 0.00 0.00 56.30 55.38 1sh5 h ASN 189 Cb 1.25 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.57 1sh5 h ASN 189 CO 0.53 0.20 0.19 -0.07 -1.65 0.00 0.00 177.43 176.63 1sh5 h LEU 190 N 0.44 0.23 -0.48 1.61 3.38 -1.91 -0.52 115.31 118.06 1sh5 h LEU 190 Ca 0.23 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1sh5 h LEU 190 Cb 0.18 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1sh5 h LEU 190 CO -0.19 0.17 0.31 -0.33 0.09 0.00 0.00 178.44 178.49 1sh5 h GLU 191 N 0.38 0.65 -0.71 1.13 5.08 -1.88 0.18 114.58 119.39 1sh5 h GLU 191 Ca 0.21 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1sh5 h GLU 191 Cb 0.17 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1sh5 h GLU 191 CO -0.19 0.45 0.27 -0.91 -1.00 0.00 0.00 179.01 177.63 1sh5 h ASN 192 N 0.65 1.00 -0.00 1.42 2.35 -0.93 0.20 115.58 120.27 1sh5 h ASN 192 Ca 0.18 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1sh5 h ASN 192 Cb -0.04 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1sh5 h ASN 192 CO -0.04 0.91 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.58 1sh5 h LEU 193 N 1.03 0.00 -0.49 1.61 3.38 -0.92 -1.03 115.31 118.88 1sh5 h LEU 193 Ca 0.24 -0.62 0.09 0.00 0.09 0.00 0.00 57.88 57.68 1sh5 h LEU 193 Cb 0.24 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.91 1sh5 h LEU 193 CO -0.02 0.62 0.02 -0.78 0.09 0.00 0.00 178.44 178.37 1sh5 h ASP 194 N -0.62 -0.17 -0.21 -0.43 3.58 -0.88 -1.12 116.42 116.57 1sh5 h ASP 194 Ca -0.00 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1sh5 h ASP 194 Cb 0.62 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1sh5 h ASP 194 CO 0.00 -0.05 0.06 -0.61 -2.88 0.00 0.00 179.24 175.75 1sh5 h GLN 195 N 0.14 0.33 -0.51 0.28 4.15 -0.91 0.14 115.11 118.72 1sh5 h GLN 195 Ca 0.25 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1sh5 h GLN 195 Cb 0.37 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1sh5 h GLN 195 CO -0.39 0.44 0.32 0.00 -1.93 0.00 0.00 178.83 177.27 1sh5 h ALA 196 N 0.87 0.65 -0.49 3.38 0.00 -0.94 -1.25 119.26 121.49 1sh5 h ALA 196 Ca 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1sh5 h ALA 196 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1sh5 h ALA 196 CO -0.00 0.12 -0.12 0.74 0.00 0.00 0.00 179.25 179.98 1sh5 h PHE 197 N 0.69 1.02 -0.17 0.00 0.04 -1.00 -1.42 116.94 116.10 1sh5 h PHE 197 Ca 0.18 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1sh5 h PHE 197 Cb -0.04 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.85 1sh5 h PHE 197 CO -0.03 0.97 0.08 0.77 -0.60 0.00 0.00 178.31 179.50 1sh5 h SER 198 N 0.81 0.22 -0.30 2.17 0.02 -0.41 -2.39 113.55 113.68 1sh5 h SER 198 Ca 0.13 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1sh5 h SER 198 Cb 0.66 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1sh5 h SER 198 CO 0.05 0.29 0.17 0.58 -1.14 0.00 0.00 176.83 176.77 1sh5 h VAL 199 N 0.14 1.13 -0.97 2.27 2.07 -1.28 -0.80 116.25 118.80 1sh5 h VAL 199 Ca 0.06 -0.33 0.17 0.00 0.82 0.00 0.00 66.70 67.42 1sh5 h VAL 199 Cb 0.13 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1sh5 h VAL 199 CO -0.01 0.13 0.61 0.00 0.02 0.00 0.00 177.57 178.32 1sh5 h ALA 200 N 1.04 1.76 0.00 1.67 0.00 -1.15 -0.77 119.26 121.81 1sh5 h ALA 200 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sh5 h ALA 200 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1sh5 h ALA 200 CO -0.02 -0.07 -0.00 1.49 0.00 0.00 0.00 179.25 180.65 1sh5 h GLU 201 N 0.74 -0.01 -0.03 0.00 4.81 -0.94 -0.90 114.58 118.26 1sh5 h GLU 201 Ca 0.52 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1sh5 h GLU 201 Cb 0.83 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.21 1sh5 h GLU 201 CO -0.29 0.86 0.02 0.00 -0.73 0.00 0.00 179.01 178.86 1sh5 h ARG 202 N -0.95 0.04 0.00 1.92 3.08 -1.09 -2.42 114.38 114.96 1sh5 h ARG 202 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1sh5 h ARG 202 Cb 0.87 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1sh5 h ARG 202 CO 0.00 0.11 -1.59 -0.25 -1.07 0.00 0.00 179.97 177.17 1sh5 n ASP 203 N -5.03 0.76 -0.04 7.04 8.00 -0.30 -4.46 116.55 122.52 1sh5 n ASP 203 Ca -0.07 -0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.19 1sh5 n ASP 203 Cb 0.07 1.63 0.00 0.00 -0.02 0.00 0.00 41.12 42.80 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 -1.96 0.94 -0.62 0.64 4.77 -0.83 -5.01 117.00 114.93 1sh5 n LEU 204 Ca -0.02 -0.93 -0.07 0.00 -0.03 0.00 0.00 56.01 54.97 1sh5 n LEU 204 Cb 0.43 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1sh5 n LEU 204 CO 0.39 0.22 -0.07 0.61 -1.33 0.00 0.00 177.39 177.21 1sh5 n GLY 205 N 0.20 0.59 3.50 -0.72 0.00 -0.85 -4.93 105.19 102.98 1sh5 n GLY 205 Ca 0.01 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.29 5.10 0.34 1.61 1.01 -0.40 -4.96 120.40 120.81 1sh5 s VAL 206 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.43 1sh5 s VAL 206 Cb 0.00 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.27 1sh5 s VAL 206 CO 0.00 -0.36 1.55 -0.89 0.00 0.00 0.00 175.10 175.40 1sh5 s THR 207 N 2.13 2.01 -0.78 3.92 2.01 -1.26 -3.33 115.64 120.34 1sh5 s THR 207 Ca 0.12 0.01 -0.26 0.00 0.31 0.00 0.00 61.69 61.87 1sh5 s THR 207 Cb -0.17 -3.01 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 1sh5 s THR 207 CO 0.13 0.00 1.66 -0.13 -0.69 0.00 0.00 174.62 175.59 1sh5 s ARG 208 N -1.39 2.93 0.22 4.92 0.52 -1.26 -4.83 118.95 120.06 1sh5 s ARG 208 Ca 0.58 -0.12 0.15 0.00 -0.52 0.00 0.00 55.73 55.82 1sh5 s ARG 208 Cb -0.48 -4.65 -0.00 0.00 0.52 0.00 0.00 34.95 30.34 1sh5 s ARG 208 CO 0.57 -2.63 1.29 -0.07 0.02 0.00 0.00 175.30 174.47 1sh5 h LEU 209 N 15.23 0.00 -8.83 2.53 3.38 -1.94 -3.46 115.31 122.21 1sh5 h LEU 209 Ca -0.11 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 57.17 1sh5 h LEU 209 Cb 1.07 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.57 1sh5 h LEU 209 CO 1.27 0.55 -0.83 -0.76 0.09 0.00 0.00 178.44 178.77 1sh5 s LEU 210 N -6.32 2.44 0.00 1.67 1.43 -1.26 -4.45 118.68 112.20 1sh5 s LEU 210 Ca 0.02 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.63 1sh5 s LEU 210 Cb 0.08 -1.45 -0.05 0.00 0.03 0.00 0.00 46.19 44.80 1sh5 s LEU 210 CO 0.77 0.30 0.31 -1.81 0.23 0.00 0.00 176.35 176.14 1sh5 s ASP 211 N -1.01 6.57 0.24 2.29 1.01 -1.26 -5.00 116.67 119.51 1sh5 s ASP 211 Ca 0.12 0.68 -0.05 0.00 0.71 0.00 0.00 52.55 54.00 1sh5 s ASP 211 Cb -0.10 -2.14 0.44 0.00 1.01 0.00 0.00 42.92 42.13 1sh5 s ASP 211 CO 0.02 0.27 1.69 -0.65 0.21 0.00 0.00 175.17 176.71 1sh5 h PRO 212 N 4.20 0.27 0.00 8.23 0.11 -1.93 -1.17 132.00 141.70 1sh5 h PRO 212 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1sh5 h PRO 212 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1sh5 h PRO 212 CO 0.64 0.18 0.00 1.05 -0.21 0.00 0.00 178.00 179.66 1sh5 h GLU 213 N 0.28 0.00 0.00 1.05 9.09 -1.94 -1.43 114.58 121.63 1sh5 h GLU 213 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1sh5 h GLU 213 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.78 1sh5 h GLU 213 CO -0.49 0.00 -0.48 -0.25 0.05 0.00 0.00 179.01 177.84 1sh5 n ASP 214 N -2.76 0.53 -0.10 3.06 8.00 -0.45 -4.03 116.55 120.79 1sh5 n ASP 214 Ca -0.00 0.01 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 1sh5 n ASP 214 Cb 0.18 0.10 -0.15 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.76 1.34 -2.10 2.53 0.31 -0.63 -4.69 118.33 113.33 1sh5 n VAL 215 Ca 0.05 -0.78 -0.42 0.00 -0.01 0.00 0.00 64.34 63.18 1sh5 n VAL 215 Cb 0.38 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 -2.80 5.23 -3.88 4.52 2.03 -0.64 -4.57 116.55 116.44 1sh5 n ASP 216 Ca -0.34 -3.02 -0.09 0.00 0.52 0.00 0.00 54.79 51.86 1sh5 n ASP 216 Cb 1.10 -1.52 -0.08 0.00 -0.72 0.00 0.00 41.12 39.91 1sh5 n ASP 216 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1sh5 s VAL 217 N 1.03 0.14 0.36 5.18 -7.23 -1.26 -4.97 120.40 113.66 1sh5 s VAL 217 Ca 0.44 -1.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1sh5 s VAL 217 Cb 0.12 -1.24 0.24 0.00 0.56 0.00 0.00 36.38 36.06 1sh5 s VAL 217 CO -0.03 -0.65 1.99 -0.65 -0.31 0.00 0.00 175.10 175.46 1sh5 h PRO 218 N 2.99 0.68 -2.78 4.82 0.11 -1.98 -3.35 132.00 132.49 1sh5 h PRO 218 Ca -0.34 -0.06 -0.60 0.00 0.11 0.00 0.00 66.00 65.11 1sh5 h PRO 218 Cb 1.19 -0.14 -0.40 0.00 0.11 0.00 0.00 31.00 31.76 1sh5 h PRO 218 CO 0.55 0.50 -0.79 -0.65 -0.21 0.00 0.00 178.00 177.39 1sh5 s GLN 219 N -5.49 1.21 0.56 1.05 -1.52 -1.26 -4.79 119.66 109.41 1sh5 s GLN 219 Ca -0.09 -2.07 -0.20 0.00 -1.95 0.00 0.00 55.36 51.05 1sh5 s GLN 219 Cb 0.17 -2.06 -0.05 0.00 -0.22 0.00 0.00 33.01 30.85 1sh5 s GLN 219 CO 0.76 -1.24 1.18 -2.14 -0.25 0.00 0.00 175.29 173.60 1sh5 s PRO 220 N 0.19 3.19 -0.14 2.91 0.02 -1.26 -4.88 135.00 135.04 1sh5 s PRO 220 Ca 0.22 1.76 -0.29 0.00 0.02 0.00 0.00 61.00 62.71 1sh5 s PRO 220 Cb -0.15 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1sh5 s PRO 220 CO -0.07 -1.01 1.64 0.34 -0.33 0.00 0.00 177.00 177.57 1sh5 s ASP 221 N -1.60 6.51 0.11 2.53 2.15 -1.26 -4.80 116.67 120.31 1sh5 s ASP 221 Ca 0.74 1.94 -0.26 0.00 0.43 0.00 0.00 52.55 55.40 1sh5 s ASP 221 Cb -0.28 -2.53 -0.08 0.00 -0.30 0.00 0.00 42.92 39.73 1sh5 s ASP 221 CO 0.32 -1.10 1.65 -0.08 -0.17 0.00 0.00 175.17 175.79 1sh5 h GLU 222 N 10.18 -0.39 -0.15 4.34 4.81 -1.92 -2.42 114.58 129.03 1sh5 h GLU 222 Ca -0.36 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 1sh5 h GLU 222 Cb 1.17 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1sh5 h GLU 222 CO 0.97 -0.26 -0.06 0.87 -0.73 0.00 0.00 179.01 179.80 1sh5 h LYS 223 N -0.41 0.22 -0.01 1.92 1.57 -1.91 -1.06 116.57 116.89 1sh5 h LYS 223 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1sh5 h LYS 223 Cb 0.45 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1sh5 h LYS 223 CO -0.16 0.31 0.00 0.77 -0.57 0.00 0.00 179.45 179.80 1sh5 h SER 224 N 0.22 0.02 -0.37 0.86 0.02 -1.91 -0.42 113.55 111.97 1sh5 h SER 224 Ca 0.05 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1sh5 h SER 224 Cb 0.26 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1sh5 h SER 224 CO 0.01 0.24 0.22 0.40 -1.14 0.00 0.00 176.83 176.56 1sh5 h ILE 225 N -0.21 1.13 -0.99 3.27 2.04 -1.13 -2.07 117.51 119.56 1sh5 h ILE 225 Ca 0.00 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.59 1sh5 h ILE 225 Cb 0.23 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1sh5 h ILE 225 CO 0.00 0.13 0.65 0.40 0.00 0.00 0.00 178.15 179.33 1sh5 h ILE 226 N 0.48 1.21 -0.33 -0.67 2.04 -1.14 0.11 117.51 119.20 1sh5 h ILE 226 Ca 0.13 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1sh5 h ILE 226 Cb 0.02 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.88 1sh5 h ILE 226 CO -0.02 0.24 0.20 0.74 0.00 0.00 0.00 178.15 179.30 1sh5 h THR 227 N 1.29 1.04 -0.42 -0.27 2.02 -0.83 -1.05 112.91 114.69 1sh5 h THR 227 Ca 0.38 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.28 1sh5 h THR 227 Cb -0.07 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1sh5 h THR 227 CO -0.10 0.07 -0.28 0.22 0.37 0.00 0.00 175.52 175.80 1sh5 h TYR 228 N 0.41 1.07 -0.53 3.16 3.20 -0.78 -2.44 116.97 121.06 1sh5 h TYR 228 Ca 0.13 -0.28 -0.11 0.00 3.14 0.00 0.00 58.73 61.61 1sh5 h TYR 228 Cb -0.01 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1sh5 h TYR 228 CO -0.07 1.09 -0.09 0.28 -1.64 0.00 0.00 178.16 177.73 1sh5 h VAL 229 N 0.78 1.27 -1.01 1.81 2.07 -0.64 -1.80 116.25 118.72 1sh5 h VAL 229 Ca 0.09 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.45 1sh5 h VAL 229 Cb 0.85 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1sh5 h VAL 229 CO 0.08 0.43 0.65 -1.28 0.02 0.00 0.00 177.57 177.47 1sh5 h SER 230 N 0.86 1.02 -0.90 0.57 0.87 -1.20 -0.88 113.55 113.89 1sh5 h SER 230 Ca 0.14 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1sh5 h SER 230 Cb 0.65 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 1sh5 h SER 230 CO 0.04 0.64 0.57 0.28 -0.53 0.00 0.00 176.83 177.83 1sh5 h SER 231 N 1.15 1.06 -0.10 6.23 0.02 -0.89 -2.24 113.55 118.78 1sh5 h SER 231 Ca 0.44 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1sh5 h SER 231 Cb 0.21 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1sh5 h SER 231 CO -0.19 0.79 0.06 -0.07 -1.14 0.00 0.00 176.83 176.28 1sh5 h LEU 232 N 1.23 0.12 -0.73 5.07 3.38 -0.49 -2.78 115.31 121.12 1sh5 h LEU 232 Ca 0.33 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.35 1sh5 h LEU 232 Cb -0.10 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1sh5 h LEU 232 CO -0.07 0.16 0.32 0.22 0.09 0.00 0.00 178.44 179.16 1sh5 h TYR 233 N 0.08 0.56 -0.23 1.13 5.03 -1.10 -2.12 116.97 120.33 1sh5 h TYR 233 Ca 0.04 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.34 1sh5 h TYR 233 Cb 0.06 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 1sh5 h TYR 233 CO -0.05 0.14 -0.03 -0.44 -1.32 0.00 0.00 178.16 176.46 1sh5 h ASP 234 N 0.51 0.31 0.49 -2.11 3.32 -1.33 -2.95 116.42 114.67 1sh5 h ASP 234 Ca 0.38 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1sh5 h ASP 234 Cb 0.51 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1sh5 h ASP 234 CO -0.34 0.39 -0.03 0.00 -1.72 0.00 0.00 179.24 177.54 1sh5 n ALA 235 N -2.49 2.57 -2.29 3.45 0.00 -0.81 -4.83 120.51 116.12 1sh5 n ALA 235 Ca 0.00 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1sh5 n ALA 235 Cb 0.22 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.52 4.00 0.00 0.00 -1.94 -1.11 -5.07 119.30 112.65 1sh5 s MET 236 Ca 0.29 0.54 0.00 0.00 -1.71 0.00 0.00 55.69 54.82 1sh5 s MET 236 Cb 0.20 -2.79 0.00 0.00 2.01 0.00 0.00 34.83 34.25 1sh5 s MET 236 CO 0.46 0.38 0.00 -2.30 -0.01 0.00 0.00 175.02 173.55