#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rm5 s LEU 1 N 0.00 4.24 -0.43 -0.35 2.96 -0.90 -4.88 118.68 119.32 1rm5 s LEU 1 Ca 0.00 1.56 -0.27 0.00 -0.22 0.00 0.00 54.13 55.20 1rm5 s LEU 1 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.16 1rm5 s LEU 1 CO 0.00 -0.48 1.01 -0.54 -1.32 0.00 0.00 176.35 175.02 1rm5 s LYS 2 N 2.11 3.72 -0.01 1.98 1.02 -1.26 -1.11 119.74 126.19 1rm5 s LYS 2 Ca 0.49 0.48 0.02 0.00 0.02 0.00 0.00 55.97 56.98 1rm5 s LYS 2 Cb -0.19 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.21 1rm5 s LYS 2 CO 0.18 -1.17 -0.03 0.08 -0.92 0.00 0.00 175.35 173.49 1rm5 s VAL 3 N 3.89 3.97 -0.02 3.17 1.01 -0.21 -1.40 120.40 130.82 1rm5 s VAL 3 Ca 0.41 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1rm5 s VAL 3 Cb -0.10 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1rm5 s VAL 3 CO 0.25 0.42 -0.20 0.00 0.00 0.00 0.00 175.10 175.57 1rm5 s ALA 4 N -1.02 1.65 -0.23 5.51 0.00 -0.65 -2.01 121.76 125.01 1rm5 s ALA 4 Ca 0.18 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1rm5 s ALA 4 Cb -0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1rm5 s ALA 4 CO 0.08 0.39 0.04 0.42 0.00 0.00 0.00 175.76 176.69 1rm5 s ILE 5 N -0.40 4.09 -0.37 0.00 1.01 -0.91 -0.35 121.20 124.27 1rm5 s ILE 5 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1rm5 s ILE 5 Cb -0.08 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.54 1rm5 s ILE 5 CO -0.00 0.37 0.19 0.21 0.00 0.00 0.00 174.94 175.71 1rm5 s ASN 6 N 1.46 5.59 0.00 3.58 3.84 -0.05 -1.59 114.94 127.77 1rm5 s ASN 6 Ca 0.05 -1.16 0.00 0.00 0.21 0.00 0.00 52.86 51.96 1rm5 s ASN 6 Cb -0.15 -1.97 0.00 0.00 -0.55 0.00 0.00 41.25 38.58 1rm5 s ASN 6 CO 0.02 -0.40 0.00 0.61 -2.79 0.00 0.00 177.10 174.54 1rm5 n GLY 7 N 4.92 0.32 2.59 1.21 0.00 -1.08 -1.53 105.19 111.62 1rm5 n GLY 7 Ca -0.12 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 1rm5 n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rm5 n PHE 8 N 0.83 2.37 -0.63 1.61 7.35 -1.26 -4.25 117.46 123.48 1rm5 n PHE 8 Ca 0.00 -2.40 0.00 0.00 -0.76 0.00 0.00 57.45 54.29 1rm5 n PHE 8 Cb 0.00 -1.46 0.00 0.00 0.35 0.00 0.00 39.48 38.37 1rm5 n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rm5 n GLY 9 N 0.72 1.52 0.15 7.13 0.00 -1.26 -4.59 105.19 108.87 1rm5 n GLY 9 Ca 0.54 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 1rm5 n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rm5 h ARG 10 N 0.00 0.38 -0.17 1.61 2.47 -1.93 -0.67 114.38 116.07 1rm5 h ARG 10 Ca 0.00 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.52 1rm5 h ARG 10 Cb 0.00 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.24 1rm5 h ARG 10 CO 0.00 0.25 -0.58 0.82 0.56 0.00 0.00 179.97 181.02 1rm5 h ILE 11 N 0.39 1.31 -0.65 2.04 1.08 -1.92 -1.69 117.51 118.08 1rm5 h ILE 11 Ca 0.13 -1.82 0.04 0.00 -0.39 0.00 0.00 64.86 62.83 1rm5 h ILE 11 Cb 0.01 1.96 -0.05 0.00 -3.07 0.00 0.00 36.82 35.67 1rm5 h ILE 11 CO -0.07 0.57 0.38 1.23 -0.69 0.00 0.00 178.15 179.57 1rm5 h GLY 12 N 0.39 0.93 1.67 5.37 0.00 -1.70 0.31 103.07 110.05 1rm5 h GLY 12 Ca -0.02 -0.28 -0.21 0.00 0.00 0.00 0.00 47.33 46.83 1rm5 h GLY 12 CO 0.12 0.20 -0.88 3.21 0.00 0.00 0.00 176.54 179.19 1rm5 h ARG 13 N 0.72 0.29 -0.50 4.80 3.08 -1.17 -2.63 114.38 118.98 1rm5 h ARG 13 Ca 0.27 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1rm5 h ARG 13 Cb 0.10 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.22 1rm5 h ARG 13 CO -0.14 1.01 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.71 1rm5 h ASN 14 N 0.17 0.98 0.04 7.04 4.21 -0.93 -2.60 115.58 124.49 1rm5 h ASN 14 Ca -0.06 -0.34 0.02 0.00 1.21 0.00 0.00 56.30 57.14 1rm5 h ASN 14 Cb 1.51 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 38.40 1rm5 h ASN 14 CO 0.14 1.12 -0.21 0.15 -1.29 0.00 0.00 177.43 177.34 1rm5 h PHE 15 N 0.86 -0.55 -0.59 1.19 3.57 -0.31 -0.13 116.94 120.98 1rm5 h PHE 15 Ca 0.13 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.70 1rm5 h PHE 15 Cb 0.71 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.63 1rm5 h PHE 15 CO 0.05 -0.30 0.29 1.25 -2.23 0.00 0.00 178.31 177.37 1rm5 h LEU 16 N -0.35 0.39 -0.95 0.59 7.12 -1.39 -0.48 115.31 120.24 1rm5 h LEU 16 Ca 0.05 0.04 -0.11 0.00 0.13 0.00 0.00 57.88 57.99 1rm5 h LEU 16 Cb 0.41 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 1rm5 h LEU 16 CO -0.17 0.26 -0.41 0.03 -0.13 0.00 0.00 178.44 178.01 1rm5 h ARG 17 N 0.54 0.23 -0.10 1.25 3.08 -1.24 -1.66 114.38 116.49 1rm5 h ARG 17 Ca 0.27 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1rm5 h ARG 17 Cb 0.22 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1rm5 h ARG 17 CO -0.20 0.61 0.01 0.00 -1.07 0.00 0.00 179.97 179.31 1rm5 h TRP 18 N -0.09 0.38 -0.65 0.00 7.01 -1.02 -2.49 115.95 119.08 1rm5 h TRP 18 Ca 0.03 0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.22 1rm5 h TRP 18 Cb 0.31 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 1rm5 h TRP 18 CO 0.02 0.22 0.46 1.25 -2.79 0.00 0.00 178.44 177.60 1rm5 h HIS 18 N 0.41 0.09 -0.00 2.65 2.76 -1.26 -0.95 115.15 118.85 1rm5 h HIS 18 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1rm5 h HIS 18 Cb 0.02 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1rm5 h HIS 18 CO -0.08 0.03 -0.13 0.41 -1.30 0.00 0.00 177.93 176.86 1rm5 n GLY 19 N -1.63 -0.98 3.87 5.26 0.00 -0.94 -4.91 105.19 105.85 1rm5 n GLY 19 Ca 0.12 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1rm5 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rm5 s ARG 20 N -2.55 3.66 -0.08 1.61 1.81 -0.36 -5.07 118.95 117.97 1rm5 s ARG 20 Ca 0.26 0.77 0.01 0.00 -1.72 0.00 0.00 55.73 55.06 1rm5 s ARG 20 Cb 0.20 -2.10 -0.03 0.00 -0.45 0.00 0.00 34.95 32.57 1rm5 s ARG 20 CO 0.49 -0.50 -0.11 0.15 -0.68 0.00 0.00 175.30 174.66 1rm5 s LYS 21 N -4.96 2.82 -1.15 3.54 1.02 -1.26 -4.71 119.74 115.03 1rm5 s LYS 21 Ca 0.56 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.80 1rm5 s LYS 21 Cb -0.11 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.64 1rm5 s LYS 21 CO 0.50 0.55 0.81 -3.47 -0.92 0.00 0.00 175.35 172.81 1rm5 n ASP 22 N 2.55 -4.75 -4.79 2.83 -0.08 -1.26 -4.95 116.55 106.10 1rm5 n ASP 22 Ca -0.18 -0.89 -0.37 0.00 -1.51 0.00 0.00 54.79 51.85 1rm5 n ASP 22 Cb 0.53 -4.06 -0.06 0.00 2.34 0.00 0.00 41.12 39.87 1rm5 n ASP 22 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1rm5 s SER 23 N -3.65 7.27 0.00 1.67 0.15 -1.26 -4.96 113.70 112.93 1rm5 s SER 23 Ca 0.36 1.68 0.15 0.00 0.70 0.00 0.00 55.95 58.85 1rm5 s SER 23 Cb -0.10 -2.52 0.47 0.00 -1.71 0.00 0.00 66.02 62.16 1rm5 s SER 23 CO 0.82 0.01 1.37 -0.81 1.20 0.00 0.00 173.24 175.83 1rm5 n PRO 24 N 0.80 1.89 -4.28 5.44 -0.04 -1.26 -4.66 135.00 132.88 1rm5 n PRO 24 Ca -0.01 -1.36 -0.30 0.00 -0.04 0.00 0.00 63.50 61.79 1rm5 n PRO 24 Cb 0.50 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 1rm5 n PRO 24 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rm5 s LEU 25 N -1.18 3.06 -0.22 1.53 1.43 -1.26 0.76 118.68 122.79 1rm5 s LEU 25 Ca 0.29 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1rm5 s LEU 25 Cb 0.15 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.61 1rm5 s LEU 25 CO 0.21 0.20 0.05 -0.62 0.23 0.00 0.00 176.35 176.41 1rm5 s ASP 26 N -2.06 3.18 -0.38 2.29 2.15 -0.26 -4.77 116.67 116.82 1rm5 s ASP 26 Ca 0.21 -1.00 -0.28 0.00 0.43 0.00 0.00 52.55 51.90 1rm5 s ASP 26 Cb -0.11 -0.65 0.02 0.00 -0.30 0.00 0.00 42.92 41.88 1rm5 s ASP 26 CO 0.13 -0.33 1.05 -0.69 -0.17 0.00 0.00 175.17 175.16 1rm5 s VAL 27 N 1.81 4.45 -0.10 1.11 1.01 -1.26 -1.04 120.40 126.37 1rm5 s VAL 27 Ca 0.01 1.44 0.06 0.00 0.00 0.00 0.00 61.98 63.48 1rm5 s VAL 27 Cb -0.17 -4.45 -0.08 0.00 0.00 0.00 0.00 36.38 31.68 1rm5 s VAL 27 CO -0.12 -0.65 0.17 1.33 0.00 0.00 0.00 175.10 175.83 1rm5 n VAL 28 N 6.17 0.00 -3.74 2.92 0.24 -0.85 -4.90 118.33 118.17 1rm5 n VAL 28 Ca 0.11 -0.22 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 1rm5 n VAL 28 Cb 0.48 0.60 -0.09 0.00 -1.47 0.00 0.00 33.84 33.37 1rm5 n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rm5 s VAL 29 N -2.07 0.05 -0.03 3.34 0.11 -1.24 -1.94 120.40 118.62 1rm5 s VAL 29 Ca -0.01 -0.41 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 1rm5 s VAL 29 Cb 0.04 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1rm5 s VAL 29 CO 0.23 -0.23 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.09 1rm5 s ILE 30 N -1.22 0.55 -0.47 7.04 1.01 -0.12 -2.13 121.20 125.86 1rm5 s ILE 30 Ca -0.13 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 1rm5 s ILE 30 Cb -0.05 -0.52 0.10 0.00 0.01 0.00 0.00 42.46 42.01 1rm5 s ILE 30 CO 0.04 0.19 0.35 0.21 0.00 0.00 0.00 174.94 175.74 1rm5 s ASN 31 N 0.40 5.84 -0.30 3.58 2.47 -0.62 -0.70 114.94 125.61 1rm5 s ASN 31 Ca -0.05 -1.68 0.03 0.00 0.42 0.00 0.00 52.86 51.58 1rm5 s ASN 31 Cb -0.09 -2.06 0.08 0.00 -1.45 0.00 0.00 41.25 37.73 1rm5 s ASN 31 CO 0.00 -0.67 -0.01 -0.62 -3.72 0.00 0.00 177.10 172.08 1rm5 s ASP 32 N 2.66 4.46 0.00 -4.21 3.68 -0.32 -2.62 116.67 120.33 1rm5 s ASP 32 Ca 0.04 -1.73 0.05 0.00 2.13 0.00 0.00 52.55 53.04 1rm5 s ASP 32 Cb -0.26 -1.47 0.29 0.00 -1.45 0.00 0.00 42.92 40.04 1rm5 s ASP 32 CO 0.02 -0.30 0.76 0.35 0.13 0.00 0.00 175.17 176.13 1rm5 n THR 33 N 4.42 0.00 0.34 1.71 -2.24 -1.26 -1.81 114.28 115.43 1rm5 n THR 33 Ca -0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.85 1rm5 n THR 33 Cb 0.42 -0.92 -0.03 0.00 -2.10 0.00 0.00 70.33 67.71 1rm5 n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rm5 n GLY 34 N -0.69 -1.23 0.00 3.38 0.00 -1.26 -4.98 105.19 100.41 1rm5 n GLY 34 Ca 0.04 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1rm5 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rm5 n GLY 36 N 1.30 1.85 0.17 -0.02 0.00 -0.75 -4.55 105.19 103.18 1rm5 n GLY 36 Ca 0.00 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 1rm5 n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rm5 h VAL 37 N 0.00 1.26 -0.27 1.61 2.07 -1.90 -1.95 116.25 117.07 1rm5 h VAL 37 Ca 0.00 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 1rm5 h VAL 37 Cb 0.00 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1rm5 h VAL 37 CO 0.00 0.30 0.16 0.11 0.02 0.00 0.00 177.57 178.15 1rm5 h LYS 38 N 0.28 0.36 -0.45 1.57 1.57 -1.95 -1.87 116.57 116.09 1rm5 h LYS 38 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1rm5 h LYS 38 Cb 0.43 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1rm5 h LYS 38 CO 0.01 0.30 0.23 0.37 -0.57 0.00 0.00 179.45 179.79 1rm5 h GLN 39 N 0.33 0.64 -0.97 3.15 4.15 -1.79 -1.49 115.11 119.12 1rm5 h GLN 39 Ca 0.09 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1rm5 h GLN 39 Cb 0.03 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 27.55 1rm5 h GLN 39 CO -0.02 0.52 0.64 0.00 -1.93 0.00 0.00 178.83 178.04 1rm5 h ALA 40 N 1.08 1.23 -0.26 3.38 0.00 -1.22 -1.79 119.26 121.68 1rm5 h ALA 40 Ca 0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1rm5 h ALA 40 Cb 0.08 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1rm5 h ALA 40 CO -0.02 0.61 -0.22 1.03 0.00 0.00 0.00 179.25 180.65 1rm5 h SER 41 N 1.31 0.65 -0.04 0.00 0.87 -1.09 -2.88 113.55 112.37 1rm5 h SER 41 Ca 0.36 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1rm5 h SER 41 Cb -0.14 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.63 1rm5 h SER 41 CO -0.08 0.97 -0.00 -0.74 -0.53 0.00 0.00 176.83 176.45 1rm5 h HIS 42 N 0.34 0.07 0.00 2.24 6.17 -1.08 -2.77 115.15 120.13 1rm5 h HIS 42 Ca 0.05 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1rm5 h HIS 42 Cb 0.77 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.68 1rm5 h HIS 42 CO 0.07 0.38 0.00 -0.07 0.71 0.00 0.00 177.93 179.02 1rm5 h LEU 43 N -0.25 0.00 0.14 0.26 3.38 -1.44 -1.29 115.31 116.11 1rm5 h LEU 43 Ca 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.70 1rm5 h LEU 43 Cb 0.35 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1rm5 h LEU 43 CO 0.00 0.00 -1.27 0.25 0.09 0.00 0.00 178.44 177.51 1rm5 h LEU 44 N 0.00 0.46 -0.00 1.67 5.85 -1.48 -3.36 115.31 118.45 1rm5 h LEU 44 Ca 0.00 -0.50 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 1rm5 h LEU 44 Cb 0.50 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1rm5 h LEU 44 CO 0.00 1.39 -0.48 0.50 -0.34 0.00 0.00 178.44 179.51 1rm5 h LYS 45 N 0.08 0.33 -5.24 1.25 3.11 -1.19 -3.42 116.57 111.49 1rm5 h LYS 45 Ca -0.15 -0.35 -0.64 0.00 -2.81 0.00 0.00 60.65 56.70 1rm5 h LYS 45 Cb 1.99 0.10 -0.21 0.00 -1.00 0.00 0.00 32.23 33.11 1rm5 h LYS 45 CO 0.21 1.04 -0.65 0.71 -2.81 0.00 0.00 179.45 177.95 1rm5 s TYR 46 N -3.19 3.07 -0.06 1.91 2.02 -0.51 -1.48 117.35 119.10 1rm5 s TYR 46 Ca -0.14 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1rm5 s TYR 46 Cb 0.03 -2.02 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1rm5 s TYR 46 CO 0.80 -0.06 0.12 0.34 -1.57 0.00 0.00 175.55 175.17 1rm5 s ASP 47 N 0.55 0.78 0.42 2.29 -1.08 -1.24 -4.57 116.67 113.82 1rm5 s ASP 47 Ca -0.01 0.23 0.29 0.00 -0.52 0.00 0.00 52.55 52.53 1rm5 s ASP 47 Cb -0.14 0.11 1.44 0.00 -1.46 0.00 0.00 42.92 42.87 1rm5 s ASP 47 CO 0.02 -0.23 1.88 0.28 0.52 0.00 0.00 175.17 177.64 1rm5 h SER 48 N 8.24 0.00 0.00 -0.34 0.02 -1.96 0.74 113.55 120.25 1rm5 h SER 48 Ca -0.17 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.45 1rm5 h SER 48 Cb 1.12 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 1rm5 h SER 48 CO 0.19 0.00 -2.10 -0.38 -1.14 0.00 0.00 176.83 173.40 1rm5 n ILE 49 N -2.55 1.08 0.21 3.27 5.41 -1.26 -4.70 119.36 120.82 1rm5 n ILE 49 Ca -0.01 -0.28 0.12 0.00 1.00 0.00 0.00 62.75 63.58 1rm5 n ILE 49 Cb 0.13 -1.74 0.11 0.00 -0.71 0.00 0.00 39.64 37.43 1rm5 n ILE 49 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1rm5 h LEU 50 N -0.67 0.00 0.00 1.39 3.38 -1.99 -3.51 115.31 113.91 1rm5 h LEU 50 Ca -0.50 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1rm5 h LEU 50 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1rm5 h LEU 50 CO -0.29 0.01 0.00 0.61 0.09 0.00 0.00 178.44 178.86 1rm5 n GLY 51 N 1.16 -0.48 3.69 0.83 0.00 0.25 -4.90 105.19 105.74 1rm5 n GLY 51 Ca 0.02 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 1rm5 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rm5 s THR 52 N -1.00 3.55 0.07 2.61 2.01 -1.26 -3.69 115.64 117.92 1rm5 s THR 52 Ca 0.00 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.65 1rm5 s THR 52 Cb 0.00 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 1rm5 s THR 52 CO 0.00 -0.00 1.81 0.12 -0.69 0.00 0.00 174.62 175.86 1rm5 s PHE 53 N 2.43 1.93 -1.41 4.92 5.36 -0.55 -4.89 117.98 125.77 1rm5 s PHE 53 Ca 0.66 -0.05 -0.12 0.00 -0.96 0.00 0.00 56.93 56.46 1rm5 s PHE 53 Cb -0.33 -4.12 0.08 0.00 -0.34 0.00 0.00 43.02 38.30 1rm5 s PHE 53 CO 0.28 -4.74 2.16 -3.47 -1.46 0.00 0.00 175.22 167.99 1rm5 n ASP 54 N 6.38 4.71 -3.49 6.13 2.03 -1.26 -4.83 116.55 126.22 1rm5 n ASP 54 Ca 0.18 -2.92 -0.14 0.00 0.52 0.00 0.00 54.79 52.42 1rm5 n ASP 54 Cb 0.40 -1.58 -0.04 0.00 -0.72 0.00 0.00 41.12 39.18 1rm5 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rm5 s ALA 55 N 2.06 -1.57 -0.50 -1.67 0.00 -1.26 -5.11 121.76 113.70 1rm5 s ALA 55 Ca 0.46 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.89 1rm5 s ALA 55 Cb 0.13 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1rm5 s ALA 55 CO -0.06 -0.60 0.99 -0.51 0.00 0.00 0.00 175.76 175.59 1rm5 s ASP 56 N -2.16 6.48 -0.10 0.00 1.01 -1.26 -4.91 116.67 115.73 1rm5 s ASP 56 Ca -0.04 0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.31 1rm5 s ASP 56 Cb -0.01 -2.47 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 1rm5 s ASP 56 CO -0.04 -1.17 -0.16 -0.69 0.21 0.00 0.00 175.17 173.31 1rm5 s VAL 57 N 4.05 2.84 0.23 -1.27 1.01 -1.26 -1.17 120.40 124.84 1rm5 s VAL 57 Ca 0.38 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 1rm5 s VAL 57 Cb -0.10 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.18 1rm5 s VAL 57 CO 0.26 0.55 0.75 -1.59 0.00 0.00 0.00 175.10 175.07 1rm5 s LYS 58 N -0.01 1.57 0.58 2.72 -2.85 -1.01 -5.01 119.74 115.72 1rm5 s LYS 58 Ca -0.05 -0.83 -0.12 0.00 -1.00 0.00 0.00 55.97 53.97 1rm5 s LYS 58 Cb -0.14 0.56 -0.05 0.00 -2.06 0.00 0.00 37.83 36.14 1rm5 s LYS 58 CO 0.04 -0.72 1.00 0.95 0.10 0.00 0.00 175.35 176.73 1rm5 s THR 59 N -3.75 4.67 -0.33 3.79 -4.23 -1.26 -1.13 115.64 113.39 1rm5 s THR 59 Ca 0.10 0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 61.55 1rm5 s THR 59 Cb -0.04 -3.82 0.11 0.00 1.34 0.00 0.00 72.50 70.09 1rm5 s THR 59 CO 0.03 -0.98 0.14 0.00 -0.54 0.00 0.00 174.62 173.27 1rm5 s ALA 60 N -2.97 1.35 0.00 3.99 0.00 0.53 -4.74 121.76 119.93 1rm5 s ALA 60 Ca 0.56 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1rm5 s ALA 60 Cb -0.11 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.40 1rm5 s ALA 60 CO 0.46 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.84 1rm5 n GLY 60 N 4.63 0.84 0.07 0.00 0.00 -1.26 -2.82 105.19 106.65 1rm5 n GLY 60 Ca 0.01 -0.76 0.10 0.00 0.00 0.00 0.00 46.02 45.36 1rm5 n GLY 60 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rm5 n ASP 61 N -0.09 2.33 0.00 1.61 3.85 -1.26 -4.66 116.55 118.33 1rm5 n ASP 61 Ca 0.00 -3.08 0.00 0.00 -0.71 0.00 0.00 54.79 51.00 1rm5 n ASP 61 Cb 0.00 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.34 1rm5 n ASP 61 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1rm5 n SER 62 N -1.43 0.65 -3.30 -1.12 3.41 -1.24 -4.89 113.62 105.71 1rm5 n SER 62 Ca 0.16 -1.17 -0.05 0.00 -0.26 0.00 0.00 58.87 57.55 1rm5 n SER 62 Cb 0.64 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.60 1rm5 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rm5 s ALA 63 N -0.17 -1.33 0.16 7.33 0.00 -1.13 -1.76 121.76 124.85 1rm5 s ALA 63 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1rm5 s ALA 63 Cb 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1rm5 s ALA 63 CO 0.00 -1.04 0.02 0.96 0.00 0.00 0.00 175.76 175.70 1rm5 s ILE 64 N -2.43 0.48 0.01 0.00 -4.36 -0.85 -0.34 121.20 113.70 1rm5 s ILE 64 Ca 0.18 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.64 1rm5 s ILE 64 Cb -0.03 -2.07 -0.01 0.00 1.25 0.00 0.00 42.46 41.59 1rm5 s ILE 64 CO 0.07 -0.49 -0.07 -0.94 0.24 0.00 0.00 174.94 173.74 1rm5 s SER 65 N -3.12 0.85 -0.21 4.36 1.04 -0.28 -0.79 113.70 115.54 1rm5 s SER 65 Ca 0.23 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.45 1rm5 s SER 65 Cb 0.07 -0.06 0.05 0.00 0.10 0.00 0.00 66.02 66.17 1rm5 s SER 65 CO 0.03 0.03 -0.09 -0.69 0.98 0.00 0.00 173.24 173.49 1rm5 s VAL 66 N -0.43 1.63 -1.64 5.02 1.01 -0.57 -2.42 120.40 123.01 1rm5 s VAL 66 Ca 0.00 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 1rm5 s VAL 66 Cb -0.04 -1.74 0.13 0.00 0.00 0.00 0.00 36.38 34.73 1rm5 s VAL 66 CO -0.00 0.12 0.86 0.47 0.00 0.00 0.00 175.10 176.55 1rm5 n ASP 67 N 4.68 -3.90 0.00 3.32 8.00 -0.31 -1.26 116.55 127.07 1rm5 n ASP 67 Ca -0.14 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1rm5 n ASP 67 Cb 0.46 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.40 1rm5 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rm5 n GLY 68 N -1.49 3.15 3.65 0.44 0.00 -1.26 -5.02 105.19 104.66 1rm5 n GLY 68 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1rm5 n GLY 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rm5 s LYS 69 N -0.42 4.20 0.05 1.61 2.20 -0.39 -5.01 119.74 121.97 1rm5 s LYS 69 Ca 0.00 1.28 -0.25 0.00 -0.36 0.00 0.00 55.97 56.64 1rm5 s LYS 69 Cb 0.00 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.59 1rm5 s LYS 69 CO 0.00 -0.72 0.77 0.08 -0.36 0.00 0.00 175.35 175.11 1rm5 s VAL 70 N 3.37 4.70 -0.09 4.02 1.01 -1.26 -1.51 120.40 130.63 1rm5 s VAL 70 Ca 0.45 1.63 0.01 0.00 0.00 0.00 0.00 61.98 64.07 1rm5 s VAL 70 Cb -0.14 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1rm5 s VAL 70 CO 0.09 0.38 -0.09 -0.63 0.00 0.00 0.00 175.10 174.85 1rm5 s ILE 71 N -0.14 1.06 0.46 2.22 1.01 0.03 -4.96 121.20 120.88 1rm5 s ILE 71 Ca 0.38 -0.36 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 1rm5 s ILE 71 Cb -0.21 -1.04 -0.07 0.00 0.01 0.00 0.00 42.46 41.15 1rm5 s ILE 71 CO 0.23 0.36 1.18 -0.75 0.00 0.00 0.00 174.94 175.97 1rm5 s LYS 72 N 1.28 3.74 -0.08 2.79 2.47 -0.82 -2.01 119.74 127.11 1rm5 s LYS 72 Ca -0.03 1.83 0.02 0.00 -1.56 0.00 0.00 55.97 56.23 1rm5 s LYS 72 Cb -0.14 -2.43 0.01 0.00 -1.46 0.00 0.00 37.83 33.81 1rm5 s LYS 72 CO -0.03 -0.58 -0.13 0.08 0.16 0.00 0.00 175.35 174.85 1rm5 s VAL 73 N -1.51 1.22 0.36 4.02 1.01 -0.73 -0.94 120.40 123.84 1rm5 s VAL 73 Ca 0.63 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1rm5 s VAL 73 Cb -0.30 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 34.88 1rm5 s VAL 73 CO 0.36 0.38 0.02 0.68 0.00 0.00 0.00 175.10 176.54 1rm5 s VAL 74 N 0.86 1.69 -0.26 2.92 -7.23 0.12 -4.69 120.40 113.82 1rm5 s VAL 74 Ca -0.11 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.02 1rm5 s VAL 74 Cb -0.15 -2.86 0.12 0.00 0.56 0.00 0.00 36.38 34.05 1rm5 s VAL 74 CO 0.01 -0.04 0.28 -0.44 -0.31 0.00 0.00 175.10 174.60 1rm5 s SER 75 N -3.60 1.42 -0.24 4.85 0.01 -1.26 -1.17 113.70 113.70 1rm5 s SER 75 Ca 0.35 -0.46 -0.13 0.00 1.31 0.00 0.00 55.95 57.02 1rm5 s SER 75 Cb 0.09 0.53 0.08 0.00 0.21 0.00 0.00 66.02 66.93 1rm5 s SER 75 CO 0.17 -0.36 0.58 -0.62 0.41 0.00 0.00 173.24 173.42 1rm5 s ASP 76 N 2.37 -0.79 0.23 2.44 -1.08 -1.26 -4.94 116.67 113.64 1rm5 s ASP 76 Ca 0.09 1.29 0.25 0.00 -0.52 0.00 0.00 52.55 53.66 1rm5 s ASP 76 Cb -0.15 1.25 0.87 0.00 -1.46 0.00 0.00 42.92 43.44 1rm5 s ASP 76 CO -0.24 -0.22 1.76 -2.11 0.52 0.00 0.00 175.17 174.87 1rm5 n ARG 77 N 4.43 0.24 -3.59 4.34 1.85 -1.26 -4.61 116.66 118.06 1rm5 n ARG 77 Ca -0.20 0.29 -0.41 0.00 -1.00 0.00 0.00 57.85 56.53 1rm5 n ARG 77 Cb 0.57 -1.83 -0.10 0.00 -1.05 0.00 0.00 32.46 30.04 1rm5 n ARG 77 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1rm5 s ASN 78 N -4.43 5.70 0.32 2.89 3.04 -1.26 -4.99 114.94 116.21 1rm5 s ASN 78 Ca 0.08 -1.27 0.07 0.00 0.04 0.00 0.00 52.86 51.78 1rm5 s ASN 78 Cb 0.11 -2.01 0.74 0.00 -1.54 0.00 0.00 41.25 38.55 1rm5 s ASN 78 CO 0.53 -0.48 1.83 -0.65 -3.04 0.00 0.00 177.10 175.29 1rm5 h PRO 79 N 8.44 0.75 -0.12 0.43 0.11 -1.92 -2.12 132.00 137.57 1rm5 h PRO 79 Ca -0.24 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 65.86 1rm5 h PRO 79 Cb 1.09 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1rm5 h PRO 79 CO 0.72 0.50 0.21 -0.24 -0.21 0.00 0.00 178.00 178.98 1rm5 h VAL 80 N 0.78 0.27 -0.21 3.15 3.04 -1.95 -1.12 116.25 120.21 1rm5 h VAL 80 Ca 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 1rm5 h VAL 80 Cb 0.76 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.86 1rm5 h VAL 80 CO -0.28 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 176.87 1rm5 n ASN 81 N -3.46 2.50 -4.78 3.17 5.03 -0.80 -4.54 115.26 112.39 1rm5 n ASN 81 Ca 0.00 -1.84 -0.37 0.00 0.87 0.00 0.00 54.58 53.25 1rm5 n ASN 81 Cb 0.31 -0.13 -0.05 0.00 -1.02 0.00 0.00 39.78 38.89 1rm5 n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rm5 s LEU 82 N -1.65 4.19 0.00 3.41 1.43 -0.43 -4.95 118.68 120.69 1rm5 s LEU 82 Ca 0.35 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1rm5 s LEU 82 Cb 0.20 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1rm5 s LEU 82 CO 0.30 -0.37 1.76 -0.81 0.23 0.00 0.00 176.35 177.45 1rm5 n PRO 83 N 0.10 0.93 -0.07 1.29 -0.04 -1.26 -4.57 135.00 131.38 1rm5 n PRO 83 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1rm5 n PRO 83 Cb 0.50 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 1rm5 n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1rm5 h TRP 84 N 1.10 0.35 -0.38 0.54 -0.00 -1.93 -1.86 115.95 113.76 1rm5 h TRP 84 Ca 0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.83 1rm5 h TRP 84 Cb 0.93 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.16 29.97 1rm5 h TRP 84 CO 0.22 0.37 0.12 0.78 -0.00 0.00 0.00 178.44 179.93 1rm5 h GLY 85 N 0.22 0.64 1.44 1.49 0.00 -1.42 -0.85 103.07 104.60 1rm5 h GLY 85 Ca 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1rm5 h GLY 85 CO -0.01 0.36 0.34 -0.55 0.00 0.00 0.00 176.54 176.68 1rm5 h ASP 86 N 0.47 0.66 0.97 0.19 3.32 -1.81 -2.57 116.42 117.66 1rm5 h ASP 86 Ca 0.12 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1rm5 h ASP 86 Cb 0.26 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1rm5 h ASP 86 CO -0.00 0.51 -0.50 0.23 -1.72 0.00 0.00 179.24 177.75 1rm5 n MET 87 N -4.42 0.28 -2.23 3.56 2.81 -0.71 -4.97 117.12 111.44 1rm5 n MET 87 Ca 0.05 0.11 -0.01 0.00 -1.81 0.00 0.00 57.70 56.04 1rm5 n MET 87 Cb 0.07 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 1rm5 n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rm5 n GLY 88 N 1.33 0.55 3.71 3.03 0.00 -0.40 -5.00 105.19 108.42 1rm5 n GLY 88 Ca 0.04 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1rm5 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rm5 s ILE 89 N -2.43 2.99 -0.13 -0.61 -1.09 -0.77 -4.83 121.20 114.34 1rm5 s ILE 89 Ca 0.01 0.65 -0.18 0.00 -2.23 0.00 0.00 60.65 58.90 1rm5 s ILE 89 Cb -0.00 -3.42 -0.25 0.00 -1.58 0.00 0.00 42.46 37.20 1rm5 s ILE 89 CO 0.01 0.04 0.51 0.44 -1.23 0.00 0.00 174.94 174.71 1rm5 h ASP 90 N 7.17 0.27 -3.80 3.58 3.32 -1.59 -2.95 116.42 122.41 1rm5 h ASP 90 Ca -0.42 -0.81 -0.36 0.00 0.02 0.00 0.00 57.03 55.46 1rm5 h ASP 90 Cb 1.20 -0.09 -0.30 0.00 0.22 0.00 0.00 39.33 40.36 1rm5 h ASP 90 CO 0.90 1.53 -0.76 -0.22 -1.72 0.00 0.00 179.24 178.97 1rm5 s LEU 91 N -7.67 1.80 -0.15 1.55 2.96 -1.03 -1.72 118.68 114.42 1rm5 s LEU 91 Ca -0.22 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1rm5 s LEU 91 Cb 0.04 -0.35 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 1rm5 s LEU 91 CO 0.72 0.04 -0.04 -0.69 -1.32 0.00 0.00 176.35 175.06 1rm5 s VAL 92 N 0.18 3.85 -0.49 1.68 1.01 -0.62 -1.63 120.40 124.37 1rm5 s VAL 92 Ca -0.02 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.40 1rm5 s VAL 92 Cb -0.06 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1rm5 s VAL 92 CO -0.00 0.50 0.56 -0.63 0.00 0.00 0.00 175.10 175.52 1rm5 s ILE 93 N 0.30 4.97 -0.67 2.22 -1.09 0.53 -0.87 121.20 126.59 1rm5 s ILE 93 Ca -0.04 -0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 57.61 1rm5 s ILE 93 Cb -0.14 -4.23 0.09 0.00 -1.58 0.00 0.00 42.46 36.60 1rm5 s ILE 93 CO 0.03 -0.70 0.91 -0.70 -1.23 0.00 0.00 174.94 173.25 1rm5 s GLU 94 N 2.38 3.15 -0.29 2.79 2.56 -0.13 -0.87 118.70 128.29 1rm5 s GLU 94 Ca 0.13 -1.10 0.09 0.00 0.00 0.00 0.00 54.97 54.08 1rm5 s GLU 94 Cb -0.20 -4.33 0.46 0.00 2.00 0.00 0.00 34.13 32.07 1rm5 s GLU 94 CO 0.11 -1.73 1.18 0.41 -0.56 0.00 0.00 175.26 174.67 1rm5 n GLY 95 N 5.32 5.85 0.09 -1.50 0.00 -0.58 -1.80 105.19 112.57 1rm5 n GLY 95 Ca -0.02 -2.48 -0.07 0.00 0.00 0.00 0.00 46.02 43.45 1rm5 n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rm5 n THR 96 N -0.69 1.38 -0.83 2.61 -2.24 -1.23 -4.67 114.28 108.61 1rm5 n THR 96 Ca 0.39 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1rm5 n THR 96 Cb 0.94 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1rm5 n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rm5 n GLY 97 N 1.58 0.64 0.04 3.38 0.00 -1.26 -4.89 105.19 104.68 1rm5 n GLY 97 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 1rm5 n GLY 97 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rm5 n VAL 98 N -2.70 0.52 -3.10 1.61 0.31 -1.26 -4.78 118.33 108.93 1rm5 n VAL 98 Ca 0.00 -0.31 -0.36 0.00 -0.01 0.00 0.00 64.34 63.66 1rm5 n VAL 98 Cb 0.00 -0.80 -0.02 0.00 -0.91 0.00 0.00 33.84 32.10 1rm5 n VAL 98 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1rm5 n PHE 99 N -2.35 2.87 0.99 3.52 3.72 -1.26 -4.77 117.46 120.18 1rm5 n PHE 99 Ca -0.13 -3.19 0.12 0.00 -0.05 0.00 0.00 57.45 54.20 1rm5 n PHE 99 Cb 0.74 -0.97 0.16 0.00 -0.94 0.00 0.00 39.48 38.47 1rm5 n PHE 99 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1rm5 n VAL 100 N 0.92 0.05 -4.38 -4.37 0.24 -1.26 -3.93 118.33 105.60 1rm5 n VAL 100 Ca 0.30 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.34 61.86 1rm5 n VAL 100 Cb 0.35 1.33 -0.09 0.00 -1.47 0.00 0.00 33.84 33.97 1rm5 n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1rm5 s ASP 101 N -1.95 4.06 0.27 -1.34 -4.77 -1.26 -1.51 116.67 110.17 1rm5 s ASP 101 Ca 0.30 -0.89 -0.00 0.00 -3.30 0.00 0.00 52.55 48.66 1rm5 s ASP 101 Cb 0.20 -0.55 0.57 0.00 -1.09 0.00 0.00 42.92 42.06 1rm5 s ASP 101 CO 0.30 -0.04 1.75 0.03 0.70 0.00 0.00 175.17 177.91 1rm5 h ARG 102 N 2.02 0.56 -0.38 2.11 3.08 -1.93 0.79 114.38 120.63 1rm5 h ARG 102 Ca -0.42 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.64 1rm5 h ARG 102 Cb 1.25 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 1rm5 h ARG 102 CO 0.62 0.37 0.11 0.22 -1.07 0.00 0.00 179.97 180.22 1rm5 h ASP 103 N 0.58 0.10 0.13 7.04 1.82 -1.96 0.01 116.42 124.13 1rm5 h ASP 103 Ca 0.48 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 57.16 1rm5 h ASP 103 Cb 0.73 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.79 1rm5 h ASP 103 CO -0.39 0.09 -0.06 1.23 -1.61 0.00 0.00 179.24 178.49 1rm5 h GLY 104 N 0.26 -0.18 1.68 -0.78 0.00 -1.62 -3.30 103.07 99.13 1rm5 h GLY 104 Ca 0.18 0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1rm5 h GLY 104 CO -0.20 -0.06 0.13 0.00 0.00 0.00 0.00 176.54 176.40 1rm5 h ALA 105 N -0.55 1.75 0.00 3.60 0.00 -0.94 -1.12 119.26 122.00 1rm5 h ALA 105 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rm5 h ALA 105 Cb 0.45 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rm5 h ALA 105 CO 0.03 -0.19 -0.06 0.78 0.00 0.00 0.00 179.25 179.81 1rm5 h GLY 106 N 0.00 0.00 1.90 0.00 0.00 -1.06 -2.77 103.07 101.14 1rm5 h GLY 106 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1rm5 h GLY 106 CO -0.00 0.00 0.05 0.50 0.00 0.00 0.00 176.54 177.09 1rm5 h LYS 107 N 0.00 0.13 -0.04 4.80 1.57 -1.31 0.47 116.57 122.20 1rm5 h LYS 107 Ca -0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1rm5 h LYS 107 Cb 0.39 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1rm5 h LYS 107 CO 0.01 0.10 -0.39 0.45 -0.57 0.00 0.00 179.45 179.05 1rm5 h HIS 108 N 0.14 0.09 -0.06 -1.35 3.86 -1.67 -2.25 115.15 113.91 1rm5 h HIS 108 Ca 0.04 -0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.05 1rm5 h HIS 108 Cb 0.01 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 1rm5 h HIS 108 CO 0.00 0.46 -0.72 -0.07 0.86 0.00 0.00 177.93 178.46 1rm5 h LEU 109 N 0.07 0.37 -1.06 2.43 3.38 -1.06 -2.37 115.31 117.07 1rm5 h LEU 109 Ca 0.01 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1rm5 h LEU 109 Cb 0.72 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1rm5 h LEU 109 CO 0.05 0.97 -0.38 -0.61 0.09 0.00 0.00 178.44 178.56 1rm5 h GLN 110 N 0.21 0.17 0.00 1.13 4.15 -1.01 -2.50 115.11 117.26 1rm5 h GLN 110 Ca -0.03 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1rm5 h GLN 110 Cb 1.28 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1rm5 h GLN 110 CO 0.12 0.53 0.00 0.00 -1.93 0.00 0.00 178.83 177.55 1rm5 n ALA 111 N -2.47 2.32 0.00 3.38 0.00 -0.88 -4.93 120.51 117.93 1rm5 n ALA 111 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1rm5 n ALA 111 Cb 0.45 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1rm5 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rm5 n GLY 112 N 1.20 1.95 3.75 0.00 0.00 -0.94 -1.48 105.19 109.68 1rm5 n GLY 112 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1rm5 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm5 s ALA 113 N -2.01 2.54 -0.17 4.61 0.00 -0.91 -4.14 121.76 121.67 1rm5 s ALA 113 Ca 0.00 0.98 0.18 0.00 0.00 0.00 0.00 51.96 53.12 1rm5 s ALA 113 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1rm5 s ALA 113 CO 0.00 -1.16 1.02 0.87 0.00 0.00 0.00 175.76 176.49 1rm5 h LYS 114 N 0.84 0.00 -3.16 0.00 1.57 -1.53 -3.40 116.57 110.90 1rm5 h LYS 114 Ca -0.50 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 1rm5 h LYS 114 Cb 1.29 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.47 1rm5 h LYS 114 CO 0.55 0.23 0.03 0.21 -0.57 0.00 0.00 179.45 179.90 1rm5 s LYS 115 N -3.06 1.12 -0.01 3.15 2.20 -0.70 -4.93 119.74 117.52 1rm5 s LYS 115 Ca -0.01 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 1rm5 s LYS 115 Cb 0.09 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.91 1rm5 s LYS 115 CO 0.79 -0.45 -0.03 0.08 -0.36 0.00 0.00 175.35 175.38 1rm5 s VAL 116 N -3.51 0.27 -0.19 4.02 1.01 -0.81 -1.60 120.40 119.60 1rm5 s VAL 116 Ca 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1rm5 s VAL 116 Cb 0.01 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.17 1rm5 s VAL 116 CO -0.10 0.09 -0.11 -0.22 0.00 0.00 0.00 175.10 174.76 1rm5 s LEU 117 N 0.10 2.16 -0.15 3.92 0.20 -0.05 -2.04 118.68 122.83 1rm5 s LEU 117 Ca -0.01 -0.81 -0.23 0.00 0.69 0.00 0.00 54.13 53.77 1rm5 s LEU 117 Cb -0.03 -1.21 -0.03 0.00 -0.43 0.00 0.00 46.19 44.49 1rm5 s LEU 117 CO -0.00 -0.13 0.72 -0.63 -0.29 0.00 0.00 176.35 176.01 1rm5 s ILE 118 N 1.42 4.98 -0.15 6.68 1.01 -0.10 -0.96 121.20 134.08 1rm5 s ILE 118 Ca -0.00 1.42 -0.05 0.00 0.00 0.00 0.00 60.65 62.02 1rm5 s ILE 118 Cb -0.16 -4.04 -0.13 0.00 0.01 0.00 0.00 42.46 38.15 1rm5 s ILE 118 CO -0.09 0.13 3.15 0.35 0.00 0.00 0.00 174.94 178.49 1rm5 n THR 119 N 4.40 2.99 -3.66 2.92 -2.24 -0.75 -2.43 114.28 115.51 1rm5 n THR 119 Ca 0.01 -1.84 0.02 0.00 -2.27 0.00 0.00 64.05 59.96 1rm5 n THR 119 Cb 0.50 -1.80 -0.00 0.00 -2.10 0.00 0.00 70.33 66.92 1rm5 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rm5 s ALA 120 N -0.01 -2.27 0.32 6.98 0.00 -1.25 -4.96 121.76 120.57 1rm5 s ALA 120 Ca 0.57 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.85 1rm5 s ALA 120 Cb 0.31 0.42 -0.11 0.00 0.00 0.00 0.00 23.12 23.74 1rm5 s ALA 120 CO -0.06 -1.07 1.54 -2.14 0.00 0.00 0.00 175.76 174.03 1rm5 s PRO 121 N -2.35 4.14 0.30 0.00 0.02 -1.26 -3.94 135.00 131.90 1rm5 s PRO 121 Ca 0.16 2.54 -0.20 0.00 0.02 0.00 0.00 61.00 63.53 1rm5 s PRO 121 Cb 0.04 -3.01 -0.09 0.00 0.02 0.00 0.00 34.50 31.46 1rm5 s PRO 121 CO -0.04 -0.57 0.80 0.20 -0.33 0.00 0.00 177.00 177.06 1rm5 s GLY 122 N 0.24 2.53 -0.23 0.52 0.00 -1.26 -4.97 107.32 104.15 1rm5 s GLY 122 Ca 0.59 0.22 -0.14 0.00 0.00 0.00 0.00 44.72 45.39 1rm5 s GLY 122 CO 0.53 0.54 0.31 1.25 0.00 0.00 0.00 173.10 175.73 1rm5 s LYS 122 N -2.46 4.11 0.92 2.90 2.20 -0.57 -4.84 119.74 122.00 1rm5 s LYS 122 Ca 0.50 0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 1rm5 s LYS 122 Cb -0.14 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.62 1rm5 s LYS 122 CO 0.19 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 175.55 1rm5 n GLY 123 N 4.18 -0.29 2.74 5.54 0.00 -1.26 -4.35 105.19 111.75 1rm5 n GLY 123 Ca -0.11 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1rm5 n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rm5 n ASP 124 N 0.29 4.87 -4.23 1.61 2.03 -1.26 -4.91 116.55 114.95 1rm5 n ASP 124 Ca 0.00 -2.94 -0.33 0.00 0.52 0.00 0.00 54.79 52.05 1rm5 n ASP 124 Cb 0.00 -1.57 -0.16 0.00 -0.72 0.00 0.00 41.12 38.67 1rm5 n ASP 124 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1rm5 s ILE 125 N 1.88 2.30 0.11 5.18 1.01 -1.26 -5.05 121.20 125.36 1rm5 s ILE 125 Ca 0.46 -0.91 -0.33 0.00 0.00 0.00 0.00 60.65 59.87 1rm5 s ILE 125 Cb 0.13 -1.92 -0.13 0.00 0.01 0.00 0.00 42.46 40.55 1rm5 s ILE 125 CO -0.05 0.54 1.69 -2.65 0.00 0.00 0.00 174.94 174.46 1rm5 n PRO 126 N 3.86 2.30 -5.04 2.79 -0.02 -1.26 -4.79 135.00 132.84 1rm5 n PRO 126 Ca -0.19 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.80 1rm5 n PRO 126 Cb 0.52 -2.64 -0.16 0.00 -0.02 0.00 0.00 33.50 31.21 1rm5 n PRO 126 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rm5 s THR 127 N 1.81 2.52 0.06 3.45 2.01 -1.26 -0.70 115.64 123.52 1rm5 s THR 127 Ca 0.82 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.99 1rm5 s THR 127 Cb -0.64 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.85 1rm5 s THR 127 CO 0.40 0.55 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.44 1rm5 s TYR 128 N 0.16 1.11 -0.15 4.92 1.51 -0.39 -4.82 117.35 119.69 1rm5 s TYR 128 Ca -0.11 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1rm5 s TYR 128 Cb -0.16 -0.64 0.04 0.00 -0.11 0.00 0.00 41.96 41.10 1rm5 s TYR 128 CO 0.06 0.03 -0.03 0.08 -1.11 0.00 0.00 175.55 174.58 1rm5 s VAL 129 N -1.17 0.89 0.10 0.71 1.01 -1.26 -4.22 120.40 116.46 1rm5 s VAL 129 Ca -0.02 -0.47 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 1rm5 s VAL 129 Cb -0.09 -1.10 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 1rm5 s VAL 129 CO 0.02 0.11 1.86 -0.69 0.00 0.00 0.00 175.10 176.40 1rm5 s VAL 130 N 1.73 2.65 0.00 2.92 1.01 -1.26 -1.42 120.40 126.03 1rm5 s VAL 130 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1rm5 s VAL 130 Cb -0.15 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1rm5 s VAL 130 CO -0.07 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.64 1rm5 n GLY 131 N 4.31 0.41 1.09 4.51 0.00 -1.26 -4.92 105.19 109.33 1rm5 n GLY 131 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1rm5 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rm5 n VAL 132 N -1.51 0.29 -2.09 1.61 0.31 -0.51 -4.97 118.33 111.46 1rm5 n VAL 132 Ca 0.00 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1rm5 n VAL 132 Cb 0.00 -1.45 -0.00 0.00 -0.91 0.00 0.00 33.84 31.48 1rm5 n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1rm5 n ASN 133 N -3.10 0.11 0.32 4.52 2.04 -1.04 -4.91 115.26 113.19 1rm5 n ASN 133 Ca 0.00 -1.78 0.21 0.00 -0.44 0.00 0.00 54.58 52.56 1rm5 n ASN 133 Cb 0.34 -0.14 1.08 0.00 -2.53 0.00 0.00 39.78 38.53 1rm5 n ASN 133 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1rm5 h GLU 134 N 0.18 0.00 0.00 -3.83 9.09 -1.95 -2.28 114.58 115.80 1rm5 h GLU 134 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1rm5 h GLU 134 Cb 1.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.51 1rm5 h GLU 134 CO -0.00 0.01 0.00 0.39 0.05 0.00 0.00 179.01 179.45 1rm5 n GLU 135 N -3.16 0.07 0.00 1.06 1.02 -1.26 -1.87 120.64 116.50 1rm5 n GLU 135 Ca -0.02 0.26 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 1rm5 n GLU 135 Cb 0.13 -1.50 0.35 0.00 -0.02 0.00 0.00 31.44 30.40 1rm5 n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rm5 n GLY 136 N -0.44 -1.01 3.77 0.62 0.00 -0.86 -4.91 105.19 102.37 1rm5 n GLY 136 Ca 0.04 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 1rm5 n GLY 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rm5 s TYR 137 N -2.77 3.29 0.07 1.61 5.04 -0.78 -5.05 117.35 118.75 1rm5 s TYR 137 Ca 0.18 1.60 0.01 0.00 -2.44 0.00 0.00 57.07 56.42 1rm5 s TYR 137 Cb 0.18 -3.38 -0.03 0.00 0.35 0.00 0.00 41.96 39.08 1rm5 s TYR 137 CO 0.60 -1.04 -0.06 0.95 -1.34 0.00 0.00 175.55 174.66 1rm5 s THR 138 N -1.28 0.52 0.23 4.34 -4.23 -1.26 -5.03 115.64 108.93 1rm5 s THR 138 Ca 0.50 -1.54 0.32 0.00 -1.18 0.00 0.00 61.69 59.79 1rm5 s THR 138 Cb -0.32 -1.17 0.32 0.00 1.34 0.00 0.00 72.50 72.67 1rm5 s THR 138 CO 0.41 -0.69 1.97 -0.74 -0.54 0.00 0.00 174.62 175.04 1rm5 h HIS 139 N 3.66 0.00 0.00 3.99 2.76 -1.97 -2.37 115.15 121.22 1rm5 h HIS 139 Ca -0.35 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 57.79 1rm5 h HIS 139 Cb 1.18 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.13 1rm5 h HIS 139 CO 0.61 0.00 -0.13 0.00 -1.30 0.00 0.00 177.93 177.10 1rm5 h ALA 140 N 1.94 1.03 -2.20 5.26 0.00 -1.96 -3.43 119.26 119.90 1rm5 h ALA 140 Ca 0.00 -0.12 -0.55 0.00 0.00 0.00 0.00 54.91 54.24 1rm5 h ALA 140 Cb 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1rm5 h ALA 140 CO 0.00 0.17 1.07 -0.51 0.00 0.00 0.00 179.25 179.98 1rm5 s ASP 141 N -6.00 6.64 0.15 0.00 1.01 -0.89 -4.89 116.67 112.68 1rm5 s ASP 141 Ca 0.01 2.03 0.18 0.00 0.71 0.00 0.00 52.55 55.48 1rm5 s ASP 141 Cb 0.10 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.44 1rm5 s ASP 141 CO 0.60 -0.98 1.03 0.71 0.21 0.00 0.00 175.17 176.74 1rm5 h THR 142 N 5.69 0.48 -3.47 -1.27 1.35 -1.91 -3.46 112.91 110.32 1rm5 h THR 142 Ca -0.36 -1.84 -0.36 0.00 -0.55 0.00 0.00 66.41 63.30 1rm5 h THR 142 Cb 1.16 2.03 -0.34 0.00 -1.73 0.00 0.00 68.15 69.27 1rm5 h THR 142 CO 0.97 0.27 -0.75 -0.63 -0.25 0.00 0.00 175.52 175.13 1rm5 s ILE 143 N -3.02 0.23 0.15 6.82 1.01 -1.26 -1.92 121.20 123.21 1rm5 s ILE 143 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.73 1rm5 s ILE 143 Cb 0.08 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 1rm5 s ILE 143 CO 0.79 0.16 -0.00 0.27 0.00 0.00 0.00 174.94 176.16 1rm5 s ILE 144 N 1.11 0.60 0.00 2.92 -4.36 -0.86 -4.17 121.20 116.43 1rm5 s ILE 144 Ca -0.09 -1.96 0.07 0.00 -0.26 0.00 0.00 60.65 58.41 1rm5 s ILE 144 Cb -0.14 -2.04 -0.02 0.00 1.25 0.00 0.00 42.46 41.52 1rm5 s ILE 144 CO -0.02 -0.54 -0.21 -0.55 0.24 0.00 0.00 174.94 173.87 1rm5 s SER 145 N -3.13 2.47 -0.03 4.36 0.15 0.12 -0.93 113.70 116.71 1rm5 s SER 145 Ca 0.22 -0.43 0.21 0.00 0.70 0.00 0.00 55.95 56.65 1rm5 s SER 145 Cb 0.06 -0.25 0.65 0.00 -1.71 0.00 0.00 66.02 64.76 1rm5 s SER 145 CO 0.02 0.23 1.54 -3.20 1.20 0.00 0.00 173.24 173.03 1rm5 n ASN 146 N 2.33 4.09 -0.60 5.45 5.15 -1.02 -1.26 115.26 129.40 1rm5 n ASN 146 Ca -0.16 -2.11 0.00 0.00 -0.60 0.00 0.00 54.58 51.71 1rm5 n ASN 146 Cb 0.53 -0.50 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1rm5 n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rm5 n ALA 147 N 1.45 0.00 -2.18 5.20 0.00 -1.25 -4.78 120.51 118.95 1rm5 n ALA 147 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 1rm5 n ALA 147 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 1rm5 n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rm5 s SER 148 N -4.00 5.68 0.22 0.00 1.04 -1.26 -3.79 113.70 111.60 1rm5 s SER 148 Ca 0.00 -0.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.96 1rm5 s SER 148 Cb 0.00 -0.83 0.19 0.00 0.10 0.00 0.00 66.02 65.48 1rm5 s SER 148 CO 0.00 -0.64 1.90 0.00 0.98 0.00 0.00 173.24 175.47 1rm5 h THR 150 N 1.13 1.22 -0.36 0.00 2.02 -1.96 -2.63 112.91 112.33 1rm5 h THR 150 Ca 0.30 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 1rm5 h THR 150 Cb -0.13 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1rm5 h THR 150 CO -0.07 0.27 -0.13 0.74 0.37 0.00 0.00 175.52 176.70 1rm5 h THR 151 N 0.81 1.25 0.00 3.16 2.02 -1.83 -2.07 112.91 116.24 1rm5 h THR 151 Ca 0.20 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1rm5 h THR 151 Cb 0.18 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1rm5 h THR 151 CO -0.02 0.37 -0.00 0.78 0.37 0.00 0.00 175.52 177.03 1rm5 h ASN 152 N 0.57 0.00 0.16 4.18 4.21 -1.20 -1.20 115.58 122.30 1rm5 h ASN 152 Ca 0.10 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.30 1rm5 h ASN 152 Cb 0.56 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.77 1rm5 h ASN 152 CO 0.04 0.00 -1.55 0.00 -1.29 0.00 0.00 177.43 174.62 1rm5 h LEU 154 N -0.09 -0.40 -0.77 0.00 3.38 -1.26 -3.39 115.31 112.78 1rm5 h LEU 154 Ca -0.32 0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.77 1rm5 h LEU 154 Cb 1.93 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 42.68 1rm5 h LEU 154 CO 0.13 -0.02 -0.36 0.00 0.09 0.00 0.00 178.44 178.27 1rm5 n ALA 155 N -2.65 -0.25 -0.07 1.53 0.00 -0.47 -2.02 120.51 116.58 1rm5 n ALA 155 Ca -0.06 0.72 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 1rm5 n ALA 155 Cb 0.19 -0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 1rm5 n ALA 155 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1rm5 h PRO 156 N 0.00 -0.43 0.00 0.00 0.11 -1.77 -2.10 132.00 127.80 1rm5 h PRO 156 Ca 0.21 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 1rm5 h PRO 156 Cb 0.40 0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1rm5 h PRO 156 CO -0.75 -0.29 -0.04 0.27 -0.21 0.00 0.00 178.00 176.98 1rm5 h PHE 157 N -0.45 0.00 -0.15 0.65 -0.00 -1.69 -3.03 116.94 112.27 1rm5 h PHE 157 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.97 1rm5 h PHE 157 Cb 0.63 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.56 1rm5 h PHE 157 CO -0.62 0.04 -0.25 0.28 -0.00 0.00 0.00 178.31 177.76 1rm5 h VAL 158 N 0.00 1.24 -0.54 0.88 2.07 -1.13 -2.15 116.25 116.63 1rm5 h VAL 158 Ca -0.00 -1.13 -0.11 0.00 0.82 0.00 0.00 66.70 66.28 1rm5 h VAL 158 Cb 0.98 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 1rm5 h VAL 158 CO 0.01 0.35 -0.10 0.50 0.02 0.00 0.00 177.57 178.34 1rm5 h LYS 159 N 0.24 1.01 -0.47 1.57 3.64 -1.26 -2.15 116.57 119.15 1rm5 h LYS 159 Ca 0.04 -0.36 -0.11 0.00 -1.27 0.00 0.00 60.65 58.94 1rm5 h LYS 159 Cb 0.58 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1rm5 h LYS 159 CO 0.04 1.05 -0.15 0.28 -2.27 0.00 0.00 179.45 178.40 1rm5 h VAL 160 N 0.90 1.27 -0.28 2.00 2.07 -1.48 -2.71 116.25 118.00 1rm5 h VAL 160 Ca 0.14 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 1rm5 h VAL 160 Cb 0.66 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1rm5 h VAL 160 CO 0.05 0.44 -0.07 -0.07 0.02 0.00 0.00 177.57 177.93 1rm5 h LEU 161 N 0.79 0.55 -1.02 2.57 3.38 -1.29 -2.68 115.31 117.61 1rm5 h LEU 161 Ca 0.12 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 1rm5 h LEU 161 Cb 0.68 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1rm5 h LEU 161 CO 0.05 0.79 -0.19 -0.78 0.09 0.00 0.00 178.44 178.40 1rm5 h ASP 162 N 0.31 0.48 1.53 -0.43 3.58 -1.37 -0.62 116.42 119.90 1rm5 h ASP 162 Ca 0.07 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.28 1rm5 h ASP 162 Cb 0.55 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1rm5 h ASP 162 CO 0.03 0.68 -0.47 -0.61 -2.88 0.00 0.00 179.24 175.99 1rm5 h GLN 163 N 0.44 0.00 -0.01 0.28 4.15 -1.49 -2.48 115.11 116.00 1rm5 h GLN 163 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1rm5 h GLN 163 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1rm5 h GLN 163 CO 0.04 0.47 -0.20 1.63 -1.93 0.00 0.00 178.83 178.83 1rm5 n LYS 164 N -3.22 1.69 0.00 1.69 5.02 -1.01 -4.76 118.16 117.56 1rm5 n LYS 164 Ca 0.02 -0.81 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 1rm5 n LYS 164 Cb 0.72 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1rm5 n LYS 164 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1rm5 n PHE 165 N -0.00 0.00 -1.51 2.13 3.72 -0.26 -5.00 117.46 116.54 1rm5 n PHE 165 Ca 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.45 1rm5 n PHE 165 Cb 0.28 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1rm5 n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rm5 n GLY 166 N 0.14 -3.20 3.70 1.37 0.00 -0.93 -2.01 105.19 104.26 1rm5 n GLY 166 Ca 0.00 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1rm5 n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rm5 s ILE 167 N -0.07 4.95 -0.19 -0.61 1.01 -1.26 -0.43 121.20 124.60 1rm5 s ILE 167 Ca -0.03 1.66 -0.08 0.00 0.00 0.00 0.00 60.65 62.21 1rm5 s ILE 167 Cb 0.00 -4.14 -0.21 0.00 0.01 0.00 0.00 42.46 38.12 1rm5 s ILE 167 CO 0.07 0.15 0.12 -0.38 0.00 0.00 0.00 174.94 174.90 1rm5 n ILE 168 N 4.12 1.64 -3.61 2.92 5.41 0.14 -4.92 119.36 125.06 1rm5 n ILE 168 Ca 0.02 -0.50 -0.04 0.00 1.00 0.00 0.00 62.75 63.23 1rm5 n ILE 168 Cb 0.50 -1.72 -0.03 0.00 -0.71 0.00 0.00 39.64 37.68 1rm5 n ILE 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1rm5 s LYS 169 N -2.51 0.26 0.25 0.38 -2.85 -1.19 -4.93 119.74 109.14 1rm5 s LYS 169 Ca -0.28 -0.05 -0.20 0.00 -1.00 0.00 0.00 55.97 54.44 1rm5 s LYS 169 Cb 0.08 0.12 0.07 0.00 -2.06 0.00 0.00 37.83 36.04 1rm5 s LYS 169 CO 0.67 -0.10 0.97 0.20 0.10 0.00 0.00 175.35 177.18 1rm5 s GLY 170 N -1.81 0.22 0.02 0.59 0.00 -0.82 0.30 107.32 105.82 1rm5 s GLY 170 Ca 0.08 -0.49 -0.09 0.00 0.00 0.00 0.00 44.72 44.22 1rm5 s GLY 170 CO -0.05 1.72 0.18 -1.08 0.00 0.00 0.00 173.10 173.88 1rm5 s THR 171 N -2.14 0.10 0.04 0.90 -1.32 0.39 -3.47 115.64 110.14 1rm5 s THR 171 Ca 0.20 -0.82 -0.04 0.00 -1.21 0.00 0.00 61.69 59.82 1rm5 s THR 171 Cb -0.03 -0.76 -0.02 0.00 -1.51 0.00 0.00 72.50 70.18 1rm5 s THR 171 CO 0.07 -0.45 0.06 0.00 -2.21 0.00 0.00 174.62 172.09 1rm5 s MET 172 N -2.15 0.58 -0.01 7.08 0.23 -0.88 -1.11 119.30 123.04 1rm5 s MET 172 Ca -0.08 -0.87 0.01 0.00 -1.03 0.00 0.00 55.69 53.71 1rm5 s MET 172 Cb -0.03 0.22 0.01 0.00 -1.53 0.00 0.00 34.83 33.50 1rm5 s MET 172 CO -0.02 -0.14 -0.02 0.99 -2.03 0.00 0.00 175.02 173.81 1rm5 s THR 173 N -2.91 0.22 -0.12 3.16 2.01 -0.23 -2.24 115.64 115.54 1rm5 s THR 173 Ca -0.02 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.96 1rm5 s THR 173 Cb 0.01 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1rm5 s THR 173 CO -0.06 0.10 -0.23 0.28 -0.69 0.00 0.00 174.62 174.03 1rm5 s THR 174 N 0.40 2.12 -0.63 -0.82 -1.32 -0.98 -0.52 115.64 113.89 1rm5 s THR 174 Ca -0.04 -0.98 -0.18 0.00 -1.21 0.00 0.00 61.69 59.28 1rm5 s THR 174 Cb -0.07 -1.83 0.12 0.00 -1.51 0.00 0.00 72.50 69.22 1rm5 s THR 174 CO -0.01 0.55 0.70 -0.89 -2.21 0.00 0.00 174.62 172.77 1rm5 s THR 175 N 0.51 4.96 -0.03 5.08 2.01 -0.52 -0.90 115.64 126.76 1rm5 s THR 175 Ca -0.14 -1.26 -0.02 0.00 0.31 0.00 0.00 61.69 60.57 1rm5 s THR 175 Cb -0.17 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 67.82 1rm5 s THR 175 CO 0.05 -1.10 0.12 -2.28 -0.69 0.00 0.00 174.62 170.72 1rm5 s HIS 176 N 2.25 3.42 0.80 4.92 5.04 -0.73 -2.13 115.29 128.86 1rm5 s HIS 176 Ca 0.12 0.30 -0.11 0.00 -1.54 0.00 0.00 55.06 53.83 1rm5 s HIS 176 Cb -0.23 -1.80 0.07 0.00 0.04 0.00 0.00 32.58 30.66 1rm5 s HIS 176 CO 0.03 0.61 1.09 -1.12 -2.34 0.00 0.00 174.74 173.01 1rm5 s SER 177 N -1.67 4.28 0.68 9.88 0.01 -1.26 -1.66 113.70 123.97 1rm5 s SER 177 Ca 0.23 1.78 -0.12 0.00 1.31 0.00 0.00 55.95 59.14 1rm5 s SER 177 Cb -0.12 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.65 1rm5 s SER 177 CO 0.14 -2.17 1.07 -0.72 0.41 0.00 0.00 173.24 171.96 1rm5 s TYR 178 N -2.90 2.95 0.40 2.43 -0.85 -1.01 -4.77 117.35 113.59 1rm5 s TYR 178 Ca 0.62 1.48 0.04 0.00 -0.52 0.00 0.00 57.07 58.69 1rm5 s TYR 178 Cb -0.17 -2.96 -0.02 0.00 0.38 0.00 0.00 41.96 39.18 1rm5 s TYR 178 CO 0.56 -1.34 0.16 0.95 -1.52 0.00 0.00 175.55 174.36 1rm5 s THR 179 N -2.82 0.47 -0.73 -3.49 -4.23 -1.26 -4.79 115.64 98.80 1rm5 s THR 179 Ca 0.61 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.26 1rm5 s THR 179 Cb -0.16 -2.36 0.14 0.00 1.34 0.00 0.00 72.50 71.47 1rm5 s THR 179 CO 0.50 0.00 1.46 0.61 -0.54 0.00 0.00 174.62 176.64 1rm5 n GLY 180 N -0.87 -0.93 0.20 3.99 0.00 -1.26 -2.35 105.19 103.96 1rm5 n GLY 180 Ca -0.04 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1rm5 n GLY 180 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1rm5 h ASP 181 N 0.00 0.00 -3.50 1.61 3.58 -2.00 -3.45 116.42 112.66 1rm5 h ASP 181 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 1rm5 h ASP 181 Cb 0.18 0.00 0.10 0.00 1.72 0.00 0.00 39.33 41.33 1rm5 h ASP 181 CO 0.00 0.00 0.25 -1.10 -2.88 0.00 0.00 179.24 175.51 1rm5 s GLN 182 N -3.33 1.76 -0.06 0.28 -0.21 -0.99 -5.00 119.66 112.10 1rm5 s GLN 182 Ca 0.06 -0.46 -0.03 0.00 0.02 0.00 0.00 55.36 54.95 1rm5 s GLN 182 Cb 0.08 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 1rm5 s GLN 182 CO 0.58 -1.54 0.07 1.03 -2.12 0.00 0.00 175.29 173.31 1rm5 s ARG 183 N -5.37 3.13 0.09 2.91 1.81 -1.19 -5.01 118.95 115.31 1rm5 s ARG 183 Ca 0.64 -0.37 -0.16 0.00 -1.72 0.00 0.00 55.73 54.12 1rm5 s ARG 183 Cb -0.08 -2.91 -0.08 0.00 -0.45 0.00 0.00 34.95 31.42 1rm5 s ARG 183 CO 0.46 0.70 1.44 1.25 -0.68 0.00 0.00 175.30 178.48 1rm5 h LEU 184 N 4.70 0.63 -8.29 2.53 5.85 -1.93 -2.25 115.31 116.54 1rm5 h LEU 184 Ca -0.51 -0.42 -0.38 0.00 0.84 0.00 0.00 57.88 57.40 1rm5 h LEU 184 Cb 1.20 -0.17 -0.23 0.00 0.37 0.00 0.00 40.66 41.82 1rm5 h LEU 184 CO 0.58 0.92 -0.77 -0.76 -0.34 0.00 0.00 178.44 178.07 1rm5 s LEU 185 N -9.14 2.22 -0.40 2.25 1.43 -1.26 -3.94 118.68 109.83 1rm5 s LEU 185 Ca -0.13 -0.51 -0.36 0.00 -1.03 0.00 0.00 54.13 52.10 1rm5 s LEU 185 Cb 0.08 -0.44 -0.15 0.00 0.03 0.00 0.00 46.19 45.71 1rm5 s LEU 185 CO 0.80 -0.06 1.62 0.47 0.23 0.00 0.00 176.35 179.40 1rm5 n ASP 186 N 1.64 0.68 -3.79 2.29 9.92 -1.26 -4.61 116.55 121.42 1rm5 n ASP 186 Ca -0.20 0.64 -0.09 0.00 -0.53 0.00 0.00 54.79 54.60 1rm5 n ASP 186 Cb 0.55 -0.72 -0.04 0.00 -0.64 0.00 0.00 41.12 40.27 1rm5 n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rm5 s ALA 187 N 4.27 -0.84 0.24 2.24 0.00 0.46 -4.97 121.76 123.17 1rm5 s ALA 187 Ca 0.93 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1rm5 s ALA 187 Cb -1.20 0.88 -0.15 0.00 0.00 0.00 0.00 23.12 22.65 1rm5 s ALA 187 CO 0.56 -0.83 0.96 0.00 0.00 0.00 0.00 175.76 176.45 1rm5 n ALA 188 N -0.35 -0.88 -3.59 0.00 0.00 -1.26 -4.47 120.51 109.95 1rm5 n ALA 188 Ca -0.08 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 1rm5 n ALA 188 Cb 0.62 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 1rm5 n ALA 188 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1rm5 s HIS 190 N -0.81 -0.29 0.20 0.00 5.04 -1.26 -4.92 115.29 113.24 1rm5 s HIS 190 Ca 0.64 0.51 -0.10 0.00 -1.54 0.00 0.00 55.06 54.56 1rm5 s HIS 190 Cb -0.79 0.46 0.13 0.00 0.04 0.00 0.00 32.58 32.42 1rm5 s HIS 190 CO 0.57 -0.27 1.80 0.00 -2.34 0.00 0.00 174.74 174.50 1rm5 h ARG 191 N 2.46 1.02 -5.58 2.88 3.08 -1.98 -3.36 114.38 112.90 1rm5 h ARG 191 Ca -0.16 -0.14 -0.63 0.00 0.07 0.00 0.00 59.98 59.13 1rm5 h ARG 191 Cb 1.17 -0.19 -0.14 0.00 0.08 0.00 0.00 29.97 30.89 1rm5 h ARG 191 CO 0.29 0.79 0.51 0.34 -1.07 0.00 0.00 179.97 180.82 1rm5 s ASP 192 N -6.09 6.25 0.28 7.04 -1.08 -1.26 -4.91 116.67 116.90 1rm5 s ASP 192 Ca -0.13 -0.71 0.14 0.00 -0.52 0.00 0.00 52.55 51.33 1rm5 s ASP 192 Cb 0.14 -2.41 0.74 0.00 -1.46 0.00 0.00 42.92 39.94 1rm5 s ASP 192 CO 0.80 -1.30 1.34 0.18 0.52 0.00 0.00 175.17 176.71 1rm5 n LEU 193 N 7.46 0.36 -0.02 -1.34 4.77 -1.26 -0.69 117.00 126.28 1rm5 n LEU 193 Ca -0.02 0.58 -0.17 0.00 -0.03 0.00 0.00 56.01 56.38 1rm5 n LEU 193 Cb 0.46 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.84 1rm5 n LEU 193 CO 0.63 -0.71 -0.80 0.54 -1.33 0.00 0.00 177.39 175.73 1rm5 n ARG 194 N -2.02 0.71 0.00 3.23 1.74 -1.26 -3.85 116.66 115.21 1rm5 n ARG 194 Ca -0.01 0.25 0.10 0.00 -0.77 0.00 0.00 57.85 57.42 1rm5 n ARG 194 Cb 0.23 -1.71 0.50 0.00 -1.02 0.00 0.00 32.46 30.46 1rm5 n ARG 194 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1rm5 n ARG 195 N -3.30 0.22 0.05 5.56 1.74 0.14 -2.65 116.66 118.42 1rm5 n ARG 195 Ca -0.29 0.11 0.13 0.00 -0.77 0.00 0.00 57.85 57.03 1rm5 n ARG 195 Cb 1.05 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 31.46 1rm5 n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rm5 n ALA 196 N -1.34 2.41 -2.42 7.54 0.00 -0.87 -3.20 120.51 122.63 1rm5 n ALA 196 Ca 0.08 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1rm5 n ALA 196 Cb 0.18 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 1rm5 n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rm5 s ARG 197 N -3.06 3.91 -0.50 0.00 1.81 -1.08 -0.40 118.95 119.63 1rm5 s ARG 197 Ca 0.12 0.40 -0.45 0.00 -1.72 0.00 0.00 55.73 54.07 1rm5 s ARG 197 Cb 0.15 -2.95 -0.19 0.00 -0.45 0.00 0.00 34.95 31.51 1rm5 s ARG 197 CO 0.58 0.50 1.87 0.00 -0.68 0.00 0.00 175.30 177.58 1rm5 n ALA 198 N 0.84 -0.55 -0.01 2.13 0.00 -1.26 -4.54 120.51 117.11 1rm5 n ALA 198 Ca -0.06 0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 1rm5 n ALA 198 Cb 0.52 -2.01 0.09 0.00 0.00 0.00 0.00 19.45 18.06 1rm5 n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rm5 h ALA 199 N 7.05 0.82 -0.00 0.00 0.00 -1.52 -3.09 119.26 122.51 1rm5 h ALA 199 Ca -0.27 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1rm5 h ALA 199 Cb 1.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1rm5 h ALA 199 CO 1.04 0.65 -0.02 0.00 0.00 0.00 0.00 179.25 180.92 1rm5 n LEU 201 N -1.01 0.64 -4.33 0.00 4.77 -1.19 -4.80 117.00 111.08 1rm5 n LEU 201 Ca 0.19 -0.67 -0.17 0.00 -0.03 0.00 0.00 56.01 55.33 1rm5 n LEU 201 Cb 0.20 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1rm5 n LEU 201 CO 0.21 0.14 -0.26 0.20 -1.33 0.00 0.00 177.39 176.34 1rm5 s ASN 202 N -1.13 1.35 -0.33 -1.43 0.01 -1.17 -5.08 114.94 107.16 1rm5 s ASN 202 Ca 0.03 -1.36 -0.08 0.00 -0.71 0.00 0.00 52.86 50.74 1rm5 s ASN 202 Cb 0.04 0.13 0.02 0.00 0.41 0.00 0.00 41.25 41.84 1rm5 s ASN 202 CO 0.16 -0.70 0.13 -0.63 -1.51 0.00 0.00 177.10 174.55 1rm5 s ILE 203 N -3.68 4.23 -0.27 0.60 1.01 -1.26 -4.12 121.20 117.71 1rm5 s ILE 203 Ca 0.36 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 1rm5 s ILE 203 Cb 0.08 -3.26 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1rm5 s ILE 203 CO 0.13 -0.05 -0.03 -0.69 0.00 0.00 0.00 174.94 174.31 1rm5 s VAL 204 N 1.52 3.04 0.23 2.92 1.01 0.57 -4.91 120.40 124.77 1rm5 s VAL 204 Ca 0.02 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 1rm5 s VAL 204 Cb -0.18 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.50 1rm5 s VAL 204 CO 0.04 0.09 0.97 -2.84 0.00 0.00 0.00 175.10 173.36 1rm5 s PRO 205 N 1.32 4.81 0.09 2.72 0.02 -1.26 0.59 135.00 143.28 1rm5 s PRO 205 Ca -0.01 1.53 -0.20 0.00 0.02 0.00 0.00 61.00 62.34 1rm5 s PRO 205 Cb -0.18 -3.28 0.05 0.00 0.02 0.00 0.00 34.50 31.11 1rm5 s PRO 205 CO -0.03 0.44 0.48 -0.08 -0.33 0.00 0.00 177.00 177.48 1rm5 s THR 206 N -1.02 0.04 0.78 0.99 -1.32 -0.43 -4.80 115.64 109.88 1rm5 s THR 206 Ca 0.42 -0.34 -0.11 0.00 -1.21 0.00 0.00 61.69 60.46 1rm5 s THR 206 Cb -0.27 -1.03 0.06 0.00 -1.51 0.00 0.00 72.50 69.75 1rm5 s THR 206 CO 0.33 -0.19 1.09 -0.94 -2.21 0.00 0.00 174.62 172.70 1rm5 s SER 207 N -2.33 4.46 -0.00 8.08 1.04 -1.26 -1.91 113.70 121.77 1rm5 s SER 207 Ca -0.02 1.75 -0.06 0.00 0.48 0.00 0.00 55.95 58.10 1rm5 s SER 207 Cb 0.00 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1rm5 s SER 207 CO -0.06 -2.06 0.13 0.28 0.98 0.00 0.00 173.24 172.51 1rm5 s THR 208 N -2.93 0.08 -1.25 2.02 -1.32 -1.26 -4.74 115.64 106.23 1rm5 s THR 208 Ca 0.61 -0.63 0.12 0.00 -1.21 0.00 0.00 61.69 60.58 1rm5 s THR 208 Cb -0.17 -0.39 0.20 0.00 -1.51 0.00 0.00 72.50 70.63 1rm5 s THR 208 CO 0.56 -0.35 1.06 0.61 -2.21 0.00 0.00 174.62 174.29 1rm5 n GLY 209 N 1.63 1.12 0.33 6.08 0.00 -1.26 -4.51 105.19 108.58 1rm5 n GLY 209 Ca -0.22 -0.37 0.21 0.00 0.00 0.00 0.00 46.02 45.65 1rm5 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm5 h ALA 210 N 2.25 1.08 0.35 4.61 0.00 -1.96 -2.03 119.26 123.55 1rm5 h ALA 210 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1rm5 h ALA 210 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1rm5 h ALA 210 CO 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 179.25 179.06 1rm5 h ALA 211 N 2.00 -1.09 -0.00 0.00 0.00 -1.88 -2.99 119.26 115.29 1rm5 h ALA 211 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1rm5 h ALA 211 Cb 0.05 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rm5 h ALA 211 CO 0.00 -1.06 -0.03 0.36 0.00 0.00 0.00 179.25 178.52 1rm5 n LYS 212 N -3.46 0.33 0.09 0.00 2.85 -1.15 -3.32 118.16 113.49 1rm5 n LYS 212 Ca -0.06 -0.02 -0.06 0.00 -1.05 0.00 0.00 58.31 57.12 1rm5 n LYS 212 Cb 0.20 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.17 1rm5 n LYS 212 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1rm5 h ALA 213 N 3.32 0.75 -0.17 0.58 0.00 -1.33 -2.95 119.26 119.47 1rm5 h ALA 213 Ca 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 1rm5 h ALA 213 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1rm5 h ALA 213 CO 0.00 0.81 -0.11 0.28 0.00 0.00 0.00 179.25 180.24 1rm5 h VAL 214 N 0.12 1.17 0.00 0.00 2.07 -1.52 -2.27 116.25 115.83 1rm5 h VAL 214 Ca -0.02 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1rm5 h VAL 214 Cb 1.25 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1rm5 h VAL 214 CO 0.10 0.24 -0.21 0.00 0.02 0.00 0.00 177.57 177.72 1rm5 h ALA 215 N 1.64 1.42 -0.26 1.67 0.00 -1.68 0.69 119.26 122.73 1rm5 h ALA 215 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1rm5 h ALA 215 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rm5 h ALA 215 CO 0.02 0.27 -0.07 -0.07 0.00 0.00 0.00 179.25 179.40 1rm5 h LEU 216 N 0.00 0.51 0.00 0.00 3.38 -1.46 -3.00 115.31 114.75 1rm5 h LEU 216 Ca -0.00 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1rm5 h LEU 216 Cb 0.44 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1rm5 h LEU 216 CO 0.03 0.76 -0.52 -0.37 0.09 0.00 0.00 178.44 178.43 1rm5 h VAL 217 N 0.26 0.00 -2.83 1.22 -1.51 -1.53 -3.40 116.25 108.46 1rm5 h VAL 217 Ca 0.07 -0.82 -0.60 0.00 -1.23 0.00 0.00 66.70 64.12 1rm5 h VAL 217 Cb 0.54 1.53 -0.40 0.00 -2.13 0.00 0.00 31.29 30.84 1rm5 h VAL 217 CO 0.03 0.00 -0.78 -0.76 -1.23 0.00 0.00 177.57 174.83 1rm5 s LEU 218 N -5.23 2.09 0.31 4.19 1.43 0.21 -4.62 118.68 117.06 1rm5 s LEU 218 Ca 0.04 -2.50 0.08 0.00 -1.03 0.00 0.00 54.13 50.72 1rm5 s LEU 218 Cb 0.09 -0.80 0.85 0.00 0.03 0.00 0.00 46.19 46.36 1rm5 s LEU 218 CO 0.72 -0.28 1.72 -0.65 0.23 0.00 0.00 176.35 178.09 1rm5 h PRO 219 N 6.77 0.51 -0.65 1.29 0.11 -1.75 -2.49 132.00 135.80 1rm5 h PRO 219 Ca 0.03 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.29 1rm5 h PRO 219 Cb 0.94 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 1rm5 h PRO 219 CO 0.41 0.34 0.46 -0.91 -0.21 0.00 0.00 178.00 178.09 1rm5 h ASN 220 N 0.53 0.04 -0.27 -2.05 2.35 -1.95 -2.22 115.58 112.00 1rm5 h ASN 220 Ca 0.62 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.38 1rm5 h ASN 220 Cb 1.19 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1rm5 h ASN 220 CO -0.49 0.02 0.00 0.18 -1.65 0.00 0.00 177.43 175.49 1rm5 n LEU 221 N -4.36 2.90 -4.72 1.61 4.32 -0.94 -4.95 117.00 110.86 1rm5 n LEU 221 Ca 0.13 -1.47 -0.42 0.00 -0.02 0.00 0.00 56.01 54.23 1rm5 n LEU 221 Cb 0.69 -0.52 -0.03 0.00 -1.62 0.00 0.00 43.42 41.94 1rm5 n LEU 221 CO 0.37 0.42 1.34 1.17 -1.22 0.00 0.00 177.39 179.47 1rm5 n LYS 222 N 0.32 2.72 -2.18 3.23 4.81 -0.84 -2.29 118.16 123.93 1rm5 n LYS 222 Ca 0.12 0.98 -0.18 0.00 -0.87 0.00 0.00 58.31 58.37 1rm5 n LYS 222 Cb 0.61 -2.81 -0.03 0.00 0.02 0.00 0.00 35.03 32.82 1rm5 n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rm5 n GLY 223 N 3.61 0.07 0.13 3.14 0.00 -1.26 -4.86 105.19 106.02 1rm5 n GLY 223 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 1rm5 n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rm5 n LYS 224 N -2.73 2.79 -4.15 1.61 5.02 -0.97 -5.05 118.16 114.67 1rm5 n LYS 224 Ca -0.20 -0.40 -0.10 0.00 -2.02 0.00 0.00 58.31 55.58 1rm5 n LYS 224 Cb 0.64 -0.96 -0.10 0.00 -0.02 0.00 0.00 35.03 34.59 1rm5 n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rm5 s LEU 225 N -1.63 2.48 0.00 -0.35 1.02 -1.26 -1.95 118.68 116.99 1rm5 s LEU 225 Ca 0.05 -0.96 -0.02 0.00 0.02 0.00 0.00 54.13 53.22 1rm5 s LEU 225 Cb 0.06 -0.04 0.01 0.00 0.02 0.00 0.00 46.19 46.24 1rm5 s LEU 225 CO 0.21 -0.46 0.35 -0.46 0.02 0.00 0.00 176.35 176.00 1rm5 n ASN 226 N 0.14 -0.97 0.00 2.29 2.04 -1.23 -4.60 115.26 112.93 1rm5 n ASN 226 Ca -0.14 -2.19 0.00 0.00 -0.44 0.00 0.00 54.58 51.81 1rm5 n ASN 226 Cb 0.60 1.77 0.00 0.00 -2.53 0.00 0.00 39.78 39.62 1rm5 n ASN 226 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1rm5 n GLY 227 N -0.37 0.80 3.37 4.83 0.00 -1.26 -2.06 105.19 110.50 1rm5 n GLY 227 Ca -0.01 -1.16 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 1rm5 n GLY 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rm5 s ILE 228 N -2.00 0.00 0.04 -0.61 -4.36 -0.95 -4.51 121.20 108.81 1rm5 s ILE 228 Ca 0.00 -1.83 0.02 0.00 -0.26 0.00 0.00 60.65 58.58 1rm5 s ILE 228 Cb 0.00 -2.57 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 1rm5 s ILE 228 CO 0.00 0.00 -0.08 0.00 0.24 0.00 0.00 174.94 175.10 1rm5 s ALA 229 N -3.22 0.60 -0.24 2.27 0.00 -0.80 -2.33 121.76 118.04 1rm5 s ALA 229 Ca 0.37 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.63 1rm5 s ALA 229 Cb 0.01 0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.20 1rm5 s ALA 229 CO 0.25 0.01 -0.06 -0.51 0.00 0.00 0.00 175.76 175.46 1rm5 s LEU 230 N -1.37 2.63 -0.16 0.00 1.43 -0.07 -1.31 118.68 119.83 1rm5 s LEU 230 Ca -0.08 -1.19 -0.25 0.00 -1.03 0.00 0.00 54.13 51.58 1rm5 s LEU 230 Cb -0.09 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.91 1rm5 s LEU 230 CO 0.00 -0.23 0.82 -0.13 0.23 0.00 0.00 176.35 177.04 1rm5 s ARG 231 N 1.37 4.31 0.35 1.70 1.81 0.20 -1.77 118.95 126.92 1rm5 s ARG 231 Ca -0.06 1.00 0.09 0.00 -1.72 0.00 0.00 55.73 55.04 1rm5 s ARG 231 Cb -0.19 -3.56 -0.06 0.00 -0.45 0.00 0.00 34.95 30.69 1rm5 s ARG 231 CO -0.06 -0.28 -0.05 0.14 -0.68 0.00 0.00 175.30 174.37 1rm5 s VAL 232 N 1.99 2.38 -0.13 3.52 -7.23 -0.66 -0.32 120.40 119.95 1rm5 s VAL 232 Ca 0.38 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.43 1rm5 s VAL 232 Cb -0.17 -2.73 -0.10 0.00 0.56 0.00 0.00 36.38 33.95 1rm5 s VAL 232 CO 0.13 -0.19 1.77 -2.65 -0.31 0.00 0.00 175.10 173.86 1rm5 n PRO 233 N -0.87 0.94 -4.54 4.82 -0.02 -1.26 -3.29 135.00 130.79 1rm5 n PRO 233 Ca -0.05 -0.56 -0.22 0.00 -2.02 0.00 0.00 63.50 60.65 1rm5 n PRO 233 Cb 0.63 -1.82 -0.14 0.00 -0.02 0.00 0.00 33.50 32.15 1rm5 n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rm5 s THR 234 N 2.51 1.26 0.12 3.45 -4.23 -1.26 -5.01 115.64 112.48 1rm5 s THR 234 Ca 0.27 -0.92 0.20 0.00 -1.18 0.00 0.00 61.69 60.07 1rm5 s THR 234 Cb 0.12 -1.10 0.16 0.00 1.34 0.00 0.00 72.50 73.03 1rm5 s THR 234 CO -0.00 0.16 1.74 1.55 -0.54 0.00 0.00 174.62 177.53 1rm5 h PRO 235 N 5.21 0.00 -2.04 3.99 0.13 -1.89 -2.68 132.00 134.72 1rm5 h PRO 235 Ca -0.38 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1rm5 h PRO 235 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.11 1rm5 h PRO 235 CO 0.46 0.33 0.41 1.21 -0.23 0.00 0.00 178.00 180.17 1rm5 s ASN 236 N -6.35 -0.46 0.00 1.44 2.47 -1.26 -4.70 114.94 106.07 1rm5 s ASN 236 Ca 0.01 0.32 0.00 0.00 0.42 0.00 0.00 52.86 53.60 1rm5 s ASN 236 Cb 0.10 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 1rm5 s ASN 236 CO 0.67 -0.56 0.00 0.52 -3.72 0.00 0.00 177.10 174.01 1rm5 n VAL 237 N 0.37 -0.49 -4.39 -5.21 0.31 -1.26 -4.92 118.33 102.74 1rm5 n VAL 237 Ca -0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.99 1rm5 n VAL 237 Cb 0.60 -0.43 -0.07 0.00 -0.91 0.00 0.00 33.84 33.02 1rm5 n VAL 237 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1rm5 n SER 238 N -0.27 0.39 -3.77 4.52 7.64 -0.45 -3.98 113.62 117.70 1rm5 n SER 238 Ca 0.00 -3.08 -0.13 0.00 1.01 0.00 0.00 58.87 56.67 1rm5 n SER 238 Cb 0.00 1.25 -0.10 0.00 -1.01 0.00 0.00 64.21 64.35 1rm5 n SER 238 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1rm5 s VAL 239 N -3.14 0.03 -0.02 0.44 0.11 -0.90 -1.76 120.40 115.16 1rm5 s VAL 239 Ca 0.28 -0.24 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1rm5 s VAL 239 Cb 0.01 -0.52 -0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1rm5 s VAL 239 CO 0.20 -0.13 -0.11 0.54 -3.33 0.00 0.00 175.10 172.26 1rm5 s VAL 240 N -0.55 3.34 -0.23 2.04 0.11 0.22 -1.43 120.40 123.89 1rm5 s VAL 240 Ca -0.07 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.23 1rm5 s VAL 240 Cb -0.04 -2.38 0.06 0.00 -1.53 0.00 0.00 36.38 32.49 1rm5 s VAL 240 CO 0.02 0.49 -0.07 -0.62 -3.33 0.00 0.00 175.10 171.59 1rm5 s ASP 241 N -1.09 3.90 -0.06 3.54 2.15 0.32 -1.83 116.67 123.60 1rm5 s ASP 241 Ca 0.14 -1.18 0.03 0.00 0.43 0.00 0.00 52.55 51.97 1rm5 s ASP 241 Cb -0.11 -1.26 -0.03 0.00 -0.30 0.00 0.00 42.92 41.23 1rm5 s ASP 241 CO 0.04 -0.21 -0.12 -0.22 -0.17 0.00 0.00 175.17 174.48 1rm5 s LEU 242 N 1.34 2.84 -0.15 -1.34 2.96 -0.44 -1.07 118.68 122.82 1rm5 s LEU 242 Ca -0.06 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1rm5 s LEU 242 Cb -0.19 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 44.95 1rm5 s LEU 242 CO -0.06 0.33 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.60 1rm5 s VAL 243 N -0.65 0.73 0.10 1.68 1.01 -0.27 -0.54 120.40 122.46 1rm5 s VAL 243 Ca 0.10 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1rm5 s VAL 243 Cb -0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1rm5 s VAL 243 CO 0.01 0.07 -0.10 0.68 0.00 0.00 0.00 175.10 175.76 1rm5 s VAL 244 N 1.80 0.95 -0.26 2.92 -7.23 -0.62 -0.47 120.40 117.49 1rm5 s VAL 244 Ca 0.02 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.44 1rm5 s VAL 244 Cb -0.15 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 1rm5 s VAL 244 CO -0.07 -0.56 0.15 -1.58 -0.31 0.00 0.00 175.10 172.74 1rm5 s GLN 245 N -2.81 3.92 0.15 4.82 0.74 0.15 -1.61 119.66 125.02 1rm5 s GLN 245 Ca 0.06 -0.34 0.05 0.00 0.05 0.00 0.00 55.36 55.18 1rm5 s GLN 245 Cb -0.03 -3.55 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 1rm5 s GLN 245 CO 0.00 -0.11 0.09 0.14 -0.55 0.00 0.00 175.29 174.86 1rm5 s VAL 246 N 1.53 4.31 -0.31 1.34 -7.23 -0.73 0.24 120.40 119.55 1rm5 s VAL 246 Ca 0.07 -1.11 0.19 0.00 -1.81 0.00 0.00 61.98 59.32 1rm5 s VAL 246 Cb -0.15 -3.17 0.21 0.00 0.56 0.00 0.00 36.38 33.83 1rm5 s VAL 246 CO 0.08 -0.07 1.53 0.77 -0.31 0.00 0.00 175.10 177.10 1rm5 h SER 247 N 2.63 0.00 -3.73 4.85 4.64 -0.67 -3.44 113.55 117.83 1rm5 h SER 247 Ca -0.47 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.18 1rm5 h SER 247 Cb 1.19 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.09 1rm5 h SER 247 CO 0.62 0.23 -0.52 -0.75 -0.87 0.00 0.00 176.83 175.54 1rm5 s LYS 248 N -3.10 3.57 0.25 4.77 2.20 -0.85 -5.06 119.74 121.51 1rm5 s LYS 248 Ca 0.06 -0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 54.78 1rm5 s LYS 248 Cb 0.06 -3.66 -0.11 0.00 -1.51 0.00 0.00 37.83 32.61 1rm5 s LYS 248 CO 0.70 -0.35 1.56 0.15 -0.36 0.00 0.00 175.35 177.05 1rm5 s LYS 249 N 1.69 4.18 0.03 4.03 1.02 -1.26 -4.87 119.74 124.55 1rm5 s LYS 249 Ca 0.06 2.46 -0.00 0.00 0.02 0.00 0.00 55.97 58.51 1rm5 s LYS 249 Cb -0.17 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1rm5 s LYS 249 CO 0.09 -0.58 0.04 -2.37 -0.92 0.00 0.00 175.35 171.60 1rm5 n THR 250 N 2.78 0.00 -3.97 2.17 5.66 -0.42 -5.04 114.28 115.46 1rm5 n THR 250 Ca 0.10 -0.13 -0.09 0.00 -3.05 0.00 0.00 64.05 60.88 1rm5 n THR 250 Cb 0.38 0.08 -0.11 0.00 -1.55 0.00 0.00 70.33 69.14 1rm5 n THR 250 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rm5 s PHE 251 N -5.25 0.25 0.30 1.09 -0.71 -1.26 -4.58 117.98 107.81 1rm5 s PHE 251 Ca 0.02 -0.53 0.00 0.00 -1.04 0.00 0.00 56.93 55.39 1rm5 s PHE 251 Cb -0.00 -0.19 0.71 0.00 -1.21 0.00 0.00 43.02 42.33 1rm5 s PHE 251 CO 0.01 -0.25 1.58 0.00 -1.34 0.00 0.00 175.22 175.22 1rm5 h ALA 252 N 4.30 1.11 -0.01 1.99 0.00 -1.89 0.24 119.26 125.00 1rm5 h ALA 252 Ca -0.32 0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rm5 h ALA 252 Cb 1.20 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1rm5 h ALA 252 CO 0.45 -0.55 -0.18 1.49 0.00 0.00 0.00 179.25 180.46 1rm5 h GLU 253 N 0.02 0.01 -0.03 0.00 4.81 -1.97 -2.61 114.58 114.80 1rm5 h GLU 253 Ca 0.58 -0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.58 1rm5 h GLU 253 Cb 1.16 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.55 1rm5 h GLU 253 CO -0.91 0.19 -0.91 1.49 -0.73 0.00 0.00 179.01 178.15 1rm5 h GLU 254 N 0.01 0.51 -0.58 1.92 4.81 -0.96 -3.10 114.58 117.20 1rm5 h GLU 254 Ca -0.00 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 1rm5 h GLU 254 Cb 0.33 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1rm5 h GLU 254 CO 0.02 1.15 0.25 0.28 -0.73 0.00 0.00 179.01 179.98 1rm5 h VAL 255 N 0.31 1.22 -0.36 0.32 2.07 -1.11 -2.56 116.25 116.14 1rm5 h VAL 255 Ca -0.08 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1rm5 h VAL 255 Cb 1.54 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1rm5 h VAL 255 CO 0.17 0.26 0.00 0.78 0.02 0.00 0.00 177.57 178.80 1rm5 h ASN 256 N 0.80 0.52 -0.75 0.57 -0.26 -1.55 -2.53 115.58 112.37 1rm5 h ASN 256 Ca 0.20 -0.10 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1rm5 h ASN 256 Cb 0.18 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 1rm5 h ASN 256 CO -0.02 0.59 0.29 0.00 -1.06 0.00 0.00 177.43 177.23 1rm5 h ALA 257 N 1.48 0.98 -0.76 -0.83 0.00 -1.39 -1.49 119.26 117.25 1rm5 h ALA 257 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1rm5 h ALA 257 Cb 0.34 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1rm5 h ALA 257 CO 0.01 0.61 0.38 0.00 0.00 0.00 0.00 179.25 180.25 1rm5 h ALA 258 N 1.15 0.98 -0.31 0.00 0.00 -1.08 -2.53 119.26 117.47 1rm5 h ALA 258 Ca 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1rm5 h ALA 258 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1rm5 h ALA 258 CO -0.02 0.53 -0.01 0.74 0.00 0.00 0.00 179.25 180.49 1rm5 h PHE 259 N 1.07 0.60 -0.44 0.00 0.04 -1.14 -2.99 116.94 114.08 1rm5 h PHE 259 Ca 0.26 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.91 1rm5 h PHE 259 Cb 0.09 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 1rm5 h PHE 259 CO 0.01 0.69 0.22 0.00 -0.60 0.00 0.00 178.31 178.62 1rm5 h ARG 260 N 0.34 0.60 -0.06 1.51 3.08 -1.16 -1.77 114.38 116.92 1rm5 h ARG 260 Ca 0.09 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1rm5 h ARG 260 Cb 0.46 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1rm5 h ARG 260 CO 0.02 0.46 0.02 1.49 -1.07 0.00 0.00 179.97 180.89 1rm5 h GLU 261 N 0.61 0.10 -0.42 0.04 4.81 -1.36 -2.70 114.58 115.66 1rm5 h GLU 261 Ca 0.16 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1rm5 h GLU 261 Cb 0.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1rm5 h GLU 261 CO -0.02 0.29 0.08 0.77 -0.73 0.00 0.00 179.01 179.40 1rm5 h SER 262 N -0.11 0.66 -0.12 1.04 0.02 -1.37 -2.41 113.55 111.26 1rm5 h SER 262 Ca 0.02 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1rm5 h SER 262 Cb 0.24 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1rm5 h SER 262 CO 0.00 0.75 0.14 0.00 -1.14 0.00 0.00 176.83 176.57 1rm5 h ALA 263 N 0.94 1.69 0.00 3.77 0.00 -1.32 0.17 119.26 124.52 1rm5 h ALA 263 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1rm5 h ALA 263 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1rm5 h ALA 263 CO 0.01 -0.20 -0.60 -0.25 0.00 0.00 0.00 179.25 178.20 1rm5 n ASP 264 N -3.79 0.58 0.00 0.00 8.00 -0.94 -3.22 116.55 117.18 1rm5 n ASP 264 Ca -0.00 -0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1rm5 n ASP 264 Cb 0.24 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1rm5 n ASP 264 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rm5 n ASN 265 N -1.58 0.00 0.26 -2.24 4.13 0.48 -4.80 115.26 111.51 1rm5 n ASN 265 Ca 0.05 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.47 1rm5 n ASN 265 Cb 0.35 0.00 0.88 0.00 -1.54 0.00 0.00 39.78 39.47 1rm5 n ASN 265 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1rm5 h GLU 266 N 0.00 0.00 -0.26 3.52 9.09 -1.83 -2.64 114.58 122.46 1rm5 h GLU 266 Ca 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 1rm5 h GLU 266 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 1rm5 h GLU 266 CO 0.00 0.00 -0.03 1.28 0.05 0.00 0.00 179.01 180.31 1rm5 n LEU 267 N -3.79 3.78 -4.69 3.06 4.77 -0.46 -5.00 117.00 114.66 1rm5 n LEU 267 Ca -0.01 -3.29 -0.42 0.00 -0.03 0.00 0.00 56.01 52.26 1rm5 n LEU 267 Cb 0.20 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.70 1rm5 n LEU 267 CO 0.27 0.88 1.33 -0.75 -1.33 0.00 0.00 177.39 177.78 1rm5 s LYS 268 N -2.98 4.20 0.00 3.23 2.20 -1.00 -1.20 119.74 124.19 1rm5 s LYS 268 Ca 0.42 2.35 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1rm5 s LYS 268 Cb 0.36 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1rm5 s LYS 268 CO 0.05 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 1rm5 n GLY 269 N 3.99 0.71 0.40 5.54 0.00 -1.26 -4.84 105.19 109.73 1rm5 n GLY 269 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1rm5 n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rm5 n ILE 270 N -2.00 0.26 -4.40 -0.61 2.08 -0.34 -4.46 119.36 109.89 1rm5 n ILE 270 Ca 0.00 -0.08 -0.29 0.00 0.56 0.00 0.00 62.75 62.93 1rm5 n ILE 270 Cb 0.00 -1.07 -0.13 0.00 -0.75 0.00 0.00 39.64 37.70 1rm5 n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1rm5 s LEU 271 N -5.71 2.45 0.14 1.39 2.96 -0.45 -2.09 118.68 117.37 1rm5 s LEU 271 Ca -0.06 -0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 53.13 1rm5 s LEU 271 Cb 0.02 -1.34 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 1rm5 s LEU 271 CO 0.09 0.19 0.18 -0.55 -1.32 0.00 0.00 176.35 174.94 1rm5 s SER 272 N -2.03 0.16 -0.07 3.68 0.15 -0.51 -4.66 113.70 110.43 1rm5 s SER 272 Ca 0.15 -1.00 -0.01 0.00 0.70 0.00 0.00 55.95 55.80 1rm5 s SER 272 Cb -0.10 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1rm5 s SER 272 CO 0.07 -0.81 -0.02 -0.69 1.20 0.00 0.00 173.24 172.99 1rm5 s VAL 273 N -3.99 0.54 -0.18 4.45 1.01 -1.26 -0.97 120.40 120.00 1rm5 s VAL 273 Ca 0.19 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1rm5 s VAL 273 Cb 0.05 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1rm5 s VAL 273 CO -0.00 0.27 -0.01 0.00 0.00 0.00 0.00 175.10 175.37 1rm5 n ASP 275 N 3.82 3.73 -4.52 0.00 8.00 -1.26 -2.86 116.55 123.45 1rm5 n ASP 275 Ca -0.17 -3.31 -0.24 0.00 0.71 0.00 0.00 54.79 51.77 1rm5 n ASP 275 Cb 0.52 -0.64 -0.09 0.00 -0.02 0.00 0.00 41.12 40.89 1rm5 n ASP 275 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rm5 s GLU 276 N -3.01 1.87 -1.26 -1.24 2.02 -1.26 -4.97 118.70 110.86 1rm5 s GLU 276 Ca 0.47 -1.59 -0.18 0.00 0.02 0.00 0.00 54.97 53.70 1rm5 s GLU 276 Cb 0.39 -1.93 0.09 0.00 0.10 0.00 0.00 34.13 32.78 1rm5 s GLU 276 CO 0.08 0.36 1.66 -2.14 0.02 0.00 0.00 175.26 175.23 1rm5 s PRO 277 N -3.37 3.97 0.50 0.39 0.02 -1.26 -4.97 135.00 130.27 1rm5 s PRO 277 Ca 0.29 -2.03 0.08 0.00 0.02 0.00 0.00 61.00 59.36 1rm5 s PRO 277 Cb -0.06 -5.44 0.04 0.00 0.02 0.00 0.00 34.50 29.06 1rm5 s PRO 277 CO 0.16 -2.16 0.58 -0.51 -0.33 0.00 0.00 177.00 174.73 1rm5 s LEU 278 N 3.81 3.22 0.28 -5.54 1.43 -1.26 -5.15 118.68 115.47 1rm5 s LEU 278 Ca 0.51 -0.80 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1rm5 s LEU 278 Cb 0.02 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.31 1rm5 s LEU 278 CO 0.05 -1.01 -0.04 0.54 0.23 0.00 0.00 176.35 176.12 1rm5 s VAL 279 N -2.57 1.51 0.23 -1.59 0.11 -1.26 -5.05 120.40 111.78 1rm5 s VAL 279 Ca 0.52 -2.10 -0.14 0.00 -2.93 0.00 0.00 61.98 57.34 1rm5 s VAL 279 Cb -0.05 -2.47 0.30 0.00 -1.53 0.00 0.00 36.38 32.62 1rm5 s VAL 279 CO 0.32 -0.28 1.58 0.77 -3.33 0.00 0.00 175.10 174.16 1rm5 h SER 280 N 2.29 -0.96 -0.20 3.54 4.64 -1.99 0.59 113.55 121.47 1rm5 h SER 280 Ca -0.40 0.26 0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1rm5 h SER 280 Cb 1.23 0.57 -0.01 0.00 -0.31 0.00 0.00 62.40 63.88 1rm5 h SER 280 CO 0.67 -0.28 0.23 -0.29 -0.87 0.00 0.00 176.83 176.28 1rm5 h ILE 281 N -0.03 0.45 0.00 0.95 6.09 -1.97 -1.15 117.51 121.84 1rm5 h ILE 281 Ca 0.36 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.85 1rm5 h ILE 281 Cb 0.60 0.82 0.00 0.00 0.47 0.00 0.00 36.82 38.70 1rm5 h ILE 281 CO -0.85 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 174.70 1rm5 n ASP 282 N -3.77 0.34 -1.28 2.19 8.00 0.20 -2.86 116.55 119.37 1rm5 n ASP 282 Ca 0.02 0.58 0.11 0.00 0.71 0.00 0.00 54.79 56.21 1rm5 n ASP 282 Cb 0.35 -0.65 0.31 0.00 -0.02 0.00 0.00 41.12 41.11 1rm5 n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1rm5 n PHE 283 N -1.87 0.94 -2.00 1.24 3.72 -0.43 -4.98 117.46 114.07 1rm5 n PHE 283 Ca 0.03 -0.50 -0.42 0.00 -0.05 0.00 0.00 57.45 56.51 1rm5 n PHE 283 Cb 0.22 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 1rm5 n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1rm5 s ARG 284 N -1.01 4.25 -0.89 -1.08 0.52 -1.13 -3.24 118.95 116.36 1rm5 s ARG 284 Ca 0.46 2.31 -0.03 0.00 -0.52 0.00 0.00 55.73 57.95 1rm5 s ARG 284 Cb 0.24 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1rm5 s ARG 284 CO 0.31 -0.48 0.41 0.00 0.02 0.00 0.00 175.30 175.57 1rm5 s THR 286 N -2.95 5.20 -0.50 0.00 -4.23 -1.20 -4.97 115.64 106.99 1rm5 s THR 286 Ca 0.20 0.89 0.26 0.00 -1.18 0.00 0.00 61.69 61.86 1rm5 s THR 286 Cb -0.09 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.24 1rm5 s THR 286 CO 0.25 0.33 1.76 0.44 -0.54 0.00 0.00 174.62 176.86 1rm5 h ASP 287 N 6.77 0.00 -4.41 3.99 3.32 -1.93 -3.36 116.42 120.80 1rm5 h ASP 287 Ca -0.40 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.16 1rm5 h ASP 287 Cb 1.17 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.82 1rm5 h ASP 287 CO 0.75 0.00 0.38 0.68 -1.72 0.00 0.00 179.24 179.33 1rm5 s VAL 288 N -3.28 3.01 -1.86 -1.35 -7.23 -1.26 -4.87 120.40 103.56 1rm5 s VAL 288 Ca 0.06 0.33 0.21 0.00 -1.81 0.00 0.00 61.98 60.77 1rm5 s VAL 288 Cb 0.10 -3.21 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 1rm5 s VAL 288 CO 0.49 -0.43 1.03 -1.54 -0.31 0.00 0.00 175.10 174.34 1rm5 n SER 289 N -3.26 1.89 -3.64 4.85 3.41 -0.89 -4.69 113.62 111.29 1rm5 n SER 289 Ca 0.07 -1.44 -0.07 0.00 -0.26 0.00 0.00 58.87 57.16 1rm5 n SER 289 Cb 0.58 0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 64.97 1rm5 n SER 289 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1rm5 s SER 290 N -2.39 -0.79 -0.14 4.04 0.15 -1.16 -4.11 113.70 109.31 1rm5 s SER 290 Ca 0.17 1.31 -0.01 0.00 0.70 0.00 0.00 55.95 58.12 1rm5 s SER 290 Cb 0.17 1.33 0.04 0.00 -1.71 0.00 0.00 66.02 65.84 1rm5 s SER 290 CO 0.56 -0.21 -0.05 -0.89 1.20 0.00 0.00 173.24 173.84 1rm5 s THR 291 N 1.26 1.00 0.11 6.45 2.01 -0.77 -1.42 115.64 124.28 1rm5 s THR 291 Ca -0.07 -0.44 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1rm5 s THR 291 Cb -0.05 -1.13 -0.06 0.00 0.01 0.00 0.00 72.50 71.27 1rm5 s THR 291 CO -0.14 0.21 1.00 -0.63 -0.69 0.00 0.00 174.62 174.37 1rm5 s ILE 292 N 1.70 4.37 -0.91 1.82 -1.09 -0.14 -0.81 121.20 126.13 1rm5 s ILE 292 Ca 0.03 1.95 -0.15 0.00 -2.23 0.00 0.00 60.65 60.24 1rm5 s ILE 292 Cb -0.14 -4.24 0.20 0.00 -1.58 0.00 0.00 42.46 36.69 1rm5 s ILE 292 CO -0.08 0.29 0.95 -0.62 -1.23 0.00 0.00 174.94 174.25 1rm5 s ASP 293 N 0.10 6.80 0.20 3.58 -1.08 -0.23 -1.08 116.67 124.96 1rm5 s ASP 293 Ca 0.48 -2.61 -0.17 0.00 -0.52 0.00 0.00 52.55 49.73 1rm5 s ASP 293 Cb -0.25 -2.28 0.19 0.00 -1.46 0.00 0.00 42.92 39.12 1rm5 s ASP 293 CO 0.31 -0.70 1.60 0.77 0.52 0.00 0.00 175.17 177.66 1rm5 h SER 294 N 7.95 -0.95 0.00 -0.34 4.64 -1.83 -1.33 113.55 121.69 1rm5 h SER 294 Ca 0.14 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1rm5 h SER 294 Cb 1.01 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1rm5 h SER 294 CO 0.92 -0.28 0.24 0.28 -0.87 0.00 0.00 176.83 177.12 1rm5 h SER 295 N -0.10 0.00 0.04 4.97 0.02 -1.92 -0.70 113.55 115.86 1rm5 h SER 295 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1rm5 h SER 295 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1rm5 h SER 295 CO -0.70 0.00 -0.30 0.18 -1.14 0.00 0.00 176.83 174.87 1rm5 n LEU 296 N -2.52 1.95 -4.71 5.07 4.77 -0.50 -4.95 117.00 116.11 1rm5 n LEU 296 Ca -0.02 -0.67 -0.42 0.00 -0.03 0.00 0.00 56.01 54.87 1rm5 n LEU 296 Cb 0.28 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1rm5 n LEU 296 CO 0.11 0.35 1.08 -0.89 -1.33 0.00 0.00 177.39 176.71 1rm5 s THR 297 N -2.36 3.28 0.06 -5.08 2.01 -0.27 -4.78 115.64 108.51 1rm5 s THR 297 Ca 0.23 0.91 0.03 0.00 0.31 0.00 0.00 61.69 63.17 1rm5 s THR 297 Cb 0.19 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.09 1rm5 s THR 297 CO 0.49 0.07 -0.09 -0.04 -0.69 0.00 0.00 174.62 174.35 1rm5 s MET 298 N 1.19 0.68 -0.06 4.92 -1.94 -1.10 -4.88 119.30 118.10 1rm5 s MET 298 Ca 0.65 -0.94 -0.01 0.00 -1.71 0.00 0.00 55.69 53.68 1rm5 s MET 298 Cb -0.37 -0.43 0.03 0.00 2.01 0.00 0.00 34.83 36.07 1rm5 s MET 298 CO 0.30 0.07 0.01 0.08 -0.01 0.00 0.00 175.02 175.48 1rm5 s VAL 299 N -1.83 0.28 -0.14 -6.03 1.01 -1.26 -1.54 120.40 110.89 1rm5 s VAL 299 Ca -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1rm5 s VAL 299 Cb -0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 1rm5 s VAL 299 CO 0.00 0.24 -0.14 -0.04 0.00 0.00 0.00 175.10 175.17 1rm5 s MET 300 N 1.98 3.34 -1.22 2.72 -1.94 -0.46 -4.63 119.30 119.08 1rm5 s MET 300 Ca 0.04 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.32 1rm5 s MET 300 Cb -0.12 -2.63 0.00 0.00 2.01 0.00 0.00 34.83 34.09 1rm5 s MET 300 CO -0.05 0.16 0.00 0.41 -0.01 0.00 0.00 175.02 175.53 1rm5 n GLY 301 N 3.67 0.16 4.50 -0.03 0.00 -1.26 -2.14 105.19 110.10 1rm5 n GLY 301 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1rm5 n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rm5 n ASP 302 N -0.50 0.00 0.00 1.61 8.00 -1.26 -4.53 116.55 119.87 1rm5 n ASP 302 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1rm5 n ASP 302 Cb 0.58 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.61 1rm5 n ASP 302 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1rm5 n ASP 303 N 0.34 0.65 -4.36 -2.24 5.75 -1.24 -1.30 116.55 114.15 1rm5 n ASP 303 Ca 0.00 -0.86 -0.43 0.00 -0.01 0.00 0.00 54.79 53.49 1rm5 n ASP 303 Cb 0.00 0.21 -0.09 0.00 -1.03 0.00 0.00 41.12 40.21 1rm5 n ASP 303 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 1rm5 s MET 304 N -0.21 2.85 -0.10 0.11 1.75 -0.91 -1.77 119.30 121.02 1rm5 s MET 304 Ca 0.00 -1.31 -0.06 0.00 -1.25 0.00 0.00 55.69 53.07 1rm5 s MET 304 Cb 0.00 -3.96 -0.04 0.00 2.84 0.00 0.00 34.83 33.67 1rm5 s MET 304 CO 0.00 -0.94 0.13 0.08 -0.65 0.00 0.00 175.02 173.64 1rm5 s VAL 305 N 1.57 5.36 -0.10 10.11 1.01 -0.63 -1.35 120.40 136.36 1rm5 s VAL 305 Ca 0.04 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1rm5 s VAL 305 Cb -0.23 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1rm5 s VAL 305 CO 0.06 0.58 -0.13 -0.75 0.00 0.00 0.00 175.10 174.86 1rm5 s LYS 306 N -1.12 1.99 0.01 2.72 2.20 -0.59 -1.59 119.74 123.36 1rm5 s LYS 306 Ca 0.16 -0.47 0.06 0.00 -0.36 0.00 0.00 55.97 55.36 1rm5 s LYS 306 Cb -0.12 -1.75 -0.02 0.00 -1.51 0.00 0.00 37.83 34.44 1rm5 s LYS 306 CO 0.05 -0.09 -0.19 0.08 -0.36 0.00 0.00 175.35 174.84 1rm5 s VAL 307 N 1.08 1.52 -0.12 4.02 1.01 0.30 -2.73 120.40 125.48 1rm5 s VAL 307 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.01 1rm5 s VAL 307 Cb -0.15 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1rm5 s VAL 307 CO -0.02 0.33 -0.18 -0.63 0.00 0.00 0.00 175.10 174.60 1rm5 s ILE 308 N -0.58 1.71 0.00 2.22 -1.09 -1.26 -1.32 121.20 120.89 1rm5 s ILE 308 Ca 0.07 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 1rm5 s ILE 308 Cb -0.08 -1.55 -0.01 0.00 -1.58 0.00 0.00 42.46 39.25 1rm5 s ILE 308 CO 0.00 0.48 -0.03 0.00 -1.23 0.00 0.00 174.94 174.16 1rm5 s ALA 309 N 0.96 0.25 0.23 9.38 0.00 -0.76 -1.07 121.76 130.75 1rm5 s ALA 309 Ca -0.06 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1rm5 s ALA 309 Cb -0.15 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1rm5 s ALA 309 CO -0.02 0.03 0.39 -1.58 0.00 0.00 0.00 175.76 174.57 1rm5 s TRP 310 N -0.33 3.48 -0.28 0.00 0.52 0.01 -0.61 118.94 121.73 1rm5 s TRP 310 Ca -0.02 0.18 -0.18 0.00 0.02 0.00 0.00 56.10 56.10 1rm5 s TRP 310 Cb -0.03 -1.73 0.09 0.00 -1.15 0.00 0.00 33.47 30.65 1rm5 s TRP 310 CO -0.00 0.37 0.73 1.52 0.02 0.00 0.00 176.95 179.60 1rm5 s TYR 311 N -1.97 -0.95 -0.76 -1.98 1.13 -0.72 -1.84 117.35 110.25 1rm5 s TYR 311 Ca 0.36 1.97 -0.26 0.00 -1.41 0.00 0.00 57.07 57.74 1rm5 s TYR 311 Cb -0.10 0.54 0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1rm5 s TYR 311 CO 0.30 -0.47 1.27 0.34 -2.51 0.00 0.00 175.55 174.48 1rm5 s ASP 312 N 1.34 6.20 0.65 -0.18 -1.08 -1.26 -1.34 116.67 120.99 1rm5 s ASP 312 Ca -0.08 -0.60 0.41 0.00 -0.52 0.00 0.00 52.55 51.76 1rm5 s ASP 312 Cb -0.05 -2.55 2.27 0.00 -1.46 0.00 0.00 42.92 41.14 1rm5 s ASP 312 CO -0.15 -1.77 2.34 -0.55 0.52 0.00 0.00 175.17 175.56 1rm5 h ASN 313 N 9.96 0.00 0.00 -0.34 -1.07 -1.93 -1.49 115.58 120.72 1rm5 h ASN 313 Ca -0.23 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.10 1rm5 h ASN 313 Cb 1.05 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.29 1rm5 h ASN 313 CO 1.28 0.00 -0.80 -0.62 0.07 0.00 0.00 177.43 177.36 1rm5 n GLU 314 N -3.27 0.49 -0.02 4.14 1.02 -1.26 -4.30 120.64 117.43 1rm5 n GLU 314 Ca -0.03 0.41 -0.16 0.00 -0.02 0.00 0.00 57.16 57.37 1rm5 n GLU 314 Cb 0.08 -1.60 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 1rm5 n GLU 314 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1rm5 h TRP 315 N -1.00 0.53 -0.64 -0.32 2.91 -1.94 -2.74 115.95 112.76 1rm5 h TRP 315 Ca -0.05 -0.25 -0.04 0.00 1.13 0.00 0.00 58.89 59.69 1rm5 h TRP 315 Cb 0.77 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.31 1rm5 h TRP 315 CO -0.27 1.01 0.26 0.78 -1.03 0.00 0.00 178.44 179.19 1rm5 h GLY 316 N -0.10 1.02 1.02 2.65 0.00 -1.41 -2.22 103.07 104.04 1rm5 h GLY 316 Ca -0.03 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1rm5 h GLY 316 CO 0.08 0.53 0.15 -1.82 0.00 0.00 0.00 176.54 175.48 1rm5 h TYR 317 N 0.90 1.01 -0.19 5.60 3.20 -1.65 -2.92 116.97 122.92 1rm5 h TYR 317 Ca 0.21 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 1rm5 h TYR 317 Cb 0.20 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1rm5 h TYR 317 CO 0.01 0.85 -0.04 0.77 -1.64 0.00 0.00 178.16 178.11 1rm5 h SER 318 N 0.88 0.27 0.41 -2.11 0.02 -1.21 -0.91 113.55 110.90 1rm5 h SER 318 Ca 0.19 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1rm5 h SER 318 Cb 0.35 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1rm5 h SER 318 CO 0.00 0.36 -0.30 1.56 -1.14 0.00 0.00 176.83 177.31 1rm5 h GLN 319 N 0.28 0.00 0.01 3.45 1.08 -1.21 -2.34 115.11 116.38 1rm5 h GLN 319 Ca 0.06 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.04 1rm5 h GLN 319 Cb 0.27 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1rm5 h GLN 319 CO 0.01 0.30 -0.95 0.00 -0.95 0.00 0.00 178.83 177.24 1rm5 h ARG 320 N 0.00 0.36 -0.66 1.46 2.47 -1.11 -2.21 114.38 114.68 1rm5 h ARG 320 Ca -0.00 -0.40 -0.04 0.00 -1.26 0.00 0.00 59.98 58.28 1rm5 h ARG 320 Cb 0.59 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.99 1rm5 h ARG 320 CO 0.04 1.08 0.24 0.28 0.56 0.00 0.00 179.97 182.17 1rm5 h VAL 321 N 0.20 1.24 -0.26 2.04 2.07 -1.03 -0.89 116.25 119.61 1rm5 h VAL 321 Ca -0.08 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1rm5 h VAL 321 Cb 1.59 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1rm5 h VAL 321 CO 0.16 0.31 0.09 0.58 0.02 0.00 0.00 177.57 178.73 1rm5 h VAL 322 N 0.96 1.18 -0.37 2.57 2.07 -1.33 -1.93 116.25 119.41 1rm5 h VAL 322 Ca 0.22 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1rm5 h VAL 322 Cb 0.23 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1rm5 h VAL 322 CO -0.01 0.19 0.24 0.44 0.02 0.00 0.00 177.57 178.44 1rm5 h ASP 323 N 0.26 0.41 -0.54 0.57 3.32 -0.93 -1.02 116.42 118.49 1rm5 h ASP 323 Ca 0.09 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1rm5 h ASP 323 Cb 0.21 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1rm5 h ASP 323 CO -0.01 0.30 0.35 0.25 -1.72 0.00 0.00 179.24 178.41 1rm5 h LEU 324 N 0.49 0.62 -1.56 1.55 5.85 -1.10 -1.06 115.31 120.09 1rm5 h LEU 324 Ca 0.14 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1rm5 h LEU 324 Cb -0.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1rm5 h LEU 324 CO -0.04 0.46 0.32 0.00 -0.34 0.00 0.00 178.44 178.85 1rm5 h ALA 325 N 1.19 1.73 -0.35 1.25 0.00 -1.05 -0.63 119.26 121.40 1rm5 h ALA 325 Ca 0.19 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1rm5 h ALA 325 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1rm5 h ALA 325 CO -0.04 0.23 -0.05 -0.44 0.00 0.00 0.00 179.25 178.95 1rm5 h ASP 326 N 0.59 0.55 -0.33 0.00 5.19 0.05 -2.55 116.42 119.92 1rm5 h ASP 326 Ca 0.19 -0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 56.34 1rm5 h ASP 326 Cb 0.03 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1rm5 h ASP 326 CO -0.04 0.65 -0.30 0.40 -3.12 0.00 0.00 179.24 176.82 1rm5 h ILE 327 N 0.54 1.29 -0.98 0.35 2.04 -0.30 -2.24 117.51 118.21 1rm5 h ILE 327 Ca 0.11 -1.47 0.11 0.00 1.00 0.00 0.00 64.86 64.61 1rm5 h ILE 327 Cb 0.42 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.91 1rm5 h ILE 327 CO 0.02 0.48 0.62 0.58 0.00 0.00 0.00 178.15 179.85 1rm5 h VAL 328 N 0.56 0.96 -0.13 1.67 2.07 -1.08 -1.49 116.25 118.81 1rm5 h VAL 328 Ca 0.06 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1rm5 h VAL 328 Cb 0.88 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1rm5 h VAL 328 CO 0.08 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.80 1rm5 h ALA 329 N 1.53 0.19 0.00 1.67 0.00 -1.26 -2.73 119.26 118.66 1rm5 h ALA 329 Ca 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1rm5 h ALA 329 Cb 0.42 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1rm5 h ALA 329 CO -0.23 -0.04 -0.05 -0.91 0.00 0.00 0.00 179.25 178.02 1rm5 h ASN 330 N -0.06 0.00 -0.23 0.00 2.35 -0.94 -2.78 115.58 113.93 1rm5 h ASN 330 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1rm5 h ASN 330 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1rm5 h ASN 330 CO 0.02 0.05 0.00 0.29 -1.65 0.00 0.00 177.43 176.13 1rm5 n LYS 331 N -3.20 2.28 -2.05 0.81 4.01 -0.60 -4.99 118.16 114.41 1rm5 n LYS 331 Ca -0.00 -2.06 -0.41 0.00 -0.51 0.00 0.00 58.31 55.33 1rm5 n LYS 331 Cb 0.28 -1.46 -0.02 0.00 -0.51 0.00 0.00 35.03 33.32 1rm5 n LYS 331 CO 0.00 0.00 0.00 -0.46 -1.11 0.00 0.00 177.40 175.83 1rm5 s TRP 332 N -1.58 3.04 0.00 2.13 -0.11 -1.03 -4.60 118.94 116.79 1rm5 s TRP 332 Ca 0.32 1.14 0.00 0.00 1.22 0.00 0.00 56.10 58.78 1rm5 s TRP 332 Cb 0.20 -3.77 0.00 0.00 -1.50 0.00 0.00 33.47 28.40 1rm5 s TRP 332 CO 0.29 -2.41 0.00 0.00 -4.62 0.00 0.00 176.95 170.21 1rm5 n GLN 333 N 1.96 4.21 0.00 5.86 10.64 -1.26 -5.08 117.38 133.70 1rm5 n GLN 333 Ca 0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1rm5 n GLN 333 Cb 0.41 -0.40 0.00 0.00 -0.86 0.00 0.00 30.24 29.39 1rm5 n GLN 333 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23