#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 3.41 -0.24 3.14 2.96 -1.00 -4.94 118.68 122.02 1rm5 s LEU 1 Ca 0.00 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.49 1rm5 s LEU 1 Cb 0.00 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1rm5 s LEU 1 CO 0.00 0.08 1.42 -0.54 -1.32 0.00 0.00 176.35 176.00 1rm5 s LYS 2 N 0.90 3.93 -0.04 1.98 3.01 -1.26 -1.19 119.74 127.07 1rm5 s LYS 2 Ca 0.02 1.49 0.06 0.00 -1.01 0.00 0.00 55.97 56.54 1rm5 s LYS 2 Cb -0.14 -3.92 -0.02 0.00 -1.01 0.00 0.00 37.83 32.74 1rm5 s LYS 2 CO 0.02 -1.11 -0.22 0.08 0.51 0.00 0.00 175.35 174.63 1rm5 s VAL 3 N 4.52 2.39 -0.02 3.17 1.01 -0.96 -1.73 120.40 128.78 1rm5 s VAL 3 Ca 0.62 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1rm5 s VAL 3 Cb -0.21 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1rm5 s VAL 3 CO 0.24 0.58 -0.25 0.00 0.00 0.00 0.00 175.10 175.67 1rm5 s ALA 4 N -0.59 2.12 -0.30 5.51 0.00 -0.37 -2.67 121.76 125.46 1rm5 s ALA 4 Ca 0.09 -1.09 -0.07 0.00 0.00 0.00 0.00 51.96 50.89 1rm5 s ALA 4 Cb -0.11 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.47 1rm5 s ALA 4 CO 0.00 0.51 0.08 0.42 0.00 0.00 0.00 175.76 176.77 1rm5 s ILE 5 N -0.54 3.93 -0.48 0.00 1.01 -1.01 0.24 121.20 124.34 1rm5 s ILE 5 Ca 0.08 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 1rm5 s ILE 5 Cb -0.10 -3.06 0.09 0.00 0.01 0.00 0.00 42.46 39.40 1rm5 s ILE 5 CO -0.00 0.04 0.40 0.21 0.00 0.00 0.00 174.94 175.58 1rm5 s ASN 6 N 1.48 6.04 0.00 3.58 3.04 -0.46 -1.54 114.94 127.10 1rm5 s ASN 6 Ca 0.02 -1.54 0.00 0.00 0.04 0.00 0.00 52.86 51.38 1rm5 s ASN 6 Cb -0.18 -2.15 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 1rm5 s ASN 6 CO 0.02 -0.70 0.00 0.61 -3.04 0.00 0.00 177.10 174.00 1rm5 n GLY 7 N 5.15 0.97 2.62 1.21 0.00 -1.18 -1.56 105.19 112.40 1rm5 n GLY 7 Ca -0.12 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 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 0.81 2.62 -1.13 1.61 7.35 -1.26 -4.14 117.46 123.31 1rm5 n PHE 8 Ca 0.00 -2.53 0.00 0.00 -0.76 0.00 0.00 57.45 54.16 1rm5 n PHE 8 Cb 0.00 -1.41 0.00 0.00 0.35 0.00 0.00 39.48 38.42 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 0.49 1.65 0.18 7.13 0.00 -1.26 -4.59 105.19 108.79 1rm5 n GLY 9 Ca 0.53 -1.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.08 -0.36 1.61 2.47 -1.94 0.63 114.38 116.71 1rm5 h ARG 10 Ca 0.00 0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 1rm5 h ARG 10 Cb 0.00 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1rm5 h ARG 10 CO 0.00 -0.05 -0.38 0.82 0.56 0.00 0.00 179.97 180.92 1rm5 h ILE 11 N -0.09 1.28 -0.33 2.04 1.08 -1.92 -1.82 117.51 117.75 1rm5 h ILE 11 Ca 0.14 -1.55 -0.00 0.00 -0.39 0.00 0.00 64.86 63.05 1rm5 h ILE 11 Cb 0.29 1.40 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 1rm5 h ILE 11 CO -0.32 0.52 0.20 1.23 -0.69 0.00 0.00 178.15 179.08 1rm5 h GLY 12 N 0.84 0.49 1.51 5.37 0.00 -1.59 -1.05 103.07 108.64 1rm5 h GLY 12 Ca 0.06 -0.21 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 1rm5 h GLY 12 CO 0.09 0.20 -0.73 3.21 0.00 0.00 0.00 176.54 179.31 1rm5 h ARG 13 N 0.43 0.48 -0.66 4.80 3.08 -0.90 -2.94 114.38 118.66 1rm5 h ARG 13 Ca 0.12 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 1rm5 h ARG 13 Cb 0.03 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1rm5 h ARG 13 CO -0.02 1.02 0.15 -0.91 -1.07 0.00 0.00 179.97 179.14 1rm5 h ASN 14 N 0.33 1.02 -0.72 7.04 4.21 -1.22 -2.61 115.58 123.63 1rm5 h ASN 14 Ca -0.03 -0.24 0.04 0.00 1.21 0.00 0.00 56.30 57.28 1rm5 h ASN 14 Cb 1.31 -0.27 -0.05 0.00 -1.12 0.00 0.00 38.32 38.20 1rm5 h ASN 14 CO 0.13 0.99 0.44 0.15 -1.29 0.00 0.00 177.43 177.85 1rm5 h PHE 15 N 0.99 0.82 -0.12 1.19 3.57 -1.15 -0.18 116.94 122.06 1rm5 h PHE 15 Ca 0.21 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1rm5 h PHE 15 Cb 0.38 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1rm5 h PHE 15 CO 0.03 0.44 0.07 1.25 -2.23 0.00 0.00 178.31 177.87 1rm5 h LEU 16 N 0.84 0.14 -0.97 0.59 7.12 -1.31 -1.32 115.31 120.40 1rm5 h LEU 16 Ca 0.30 -0.03 -0.10 0.00 0.13 0.00 0.00 57.88 58.18 1rm5 h LEU 16 Cb 0.08 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.17 1rm5 h LEU 16 CO -0.14 0.13 -0.35 0.03 -0.13 0.00 0.00 178.44 177.99 1rm5 h ARG 17 N 0.13 0.32 -0.32 1.25 3.08 -1.18 -0.92 114.38 116.75 1rm5 h ARG 17 Ca 0.04 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 1rm5 h ARG 17 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1rm5 h ARG 17 CO -0.01 0.63 0.06 0.00 -1.07 0.00 0.00 179.97 179.58 1rm5 h TRP 18 N 0.35 0.34 -0.84 0.00 7.01 -1.07 -2.95 115.95 118.80 1rm5 h TRP 18 Ca 0.10 -0.03 0.21 0.00 2.11 0.00 0.00 58.89 61.28 1rm5 h TRP 18 Cb 0.32 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.23 1rm5 h TRP 18 CO 0.02 0.39 0.57 1.25 -2.79 0.00 0.00 178.44 177.88 1rm5 h HIS 18 N 0.20 0.30 -0.00 2.65 2.76 -1.10 -0.94 115.15 119.02 1rm5 h HIS 18 Ca 0.07 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1rm5 h HIS 18 Cb 0.20 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1rm5 h HIS 18 CO -0.00 0.08 -0.23 0.41 -1.30 0.00 0.00 177.93 176.89 1rm5 n GLY 19 N -1.59 -1.25 3.78 5.26 0.00 -1.11 -4.91 105.19 105.37 1rm5 n GLY 19 Ca 0.17 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.87 3.10 -0.21 1.61 1.81 -0.36 -5.03 118.95 117.01 1rm5 s ARG 20 Ca 0.16 1.43 -0.09 0.00 -1.72 0.00 0.00 55.73 55.52 1rm5 s ARG 20 Cb 0.19 -1.99 -0.04 0.00 -0.45 0.00 0.00 34.95 32.66 1rm5 s ARG 20 CO 0.59 -1.02 0.10 0.21 -0.68 0.00 0.00 175.30 174.50 1rm5 s LYS 21 N -3.80 4.00 -0.45 3.54 2.20 -1.26 -4.67 119.74 119.30 1rm5 s LYS 21 Ca 0.68 -0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.75 1rm5 s LYS 21 Cb -0.21 -3.34 0.03 0.00 -1.51 0.00 0.00 37.83 32.80 1rm5 s LYS 21 CO 0.35 0.17 0.62 -3.47 -0.36 0.00 0.00 175.35 172.67 1rm5 n ASP 22 N 3.89 -7.17 -4.84 1.43 -0.08 -1.26 -4.97 116.55 103.54 1rm5 n ASP 22 Ca -0.16 0.29 -0.37 0.00 -1.51 0.00 0.00 54.79 53.04 1rm5 n ASP 22 Cb 0.52 -4.22 -0.06 0.00 2.34 0.00 0.00 41.12 39.70 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 -2.28 6.42 0.00 1.67 0.15 -1.26 -4.97 113.70 113.43 1rm5 s SER 23 Ca 0.28 0.50 0.09 0.00 0.70 0.00 0.00 55.95 57.53 1rm5 s SER 23 Cb -0.06 -2.11 0.35 0.00 -1.71 0.00 0.00 66.02 62.49 1rm5 s SER 23 CO 0.80 0.34 1.26 -0.81 1.20 0.00 0.00 173.24 176.03 1rm5 n PRO 24 N 2.32 1.45 -4.25 5.44 -0.04 -1.26 -4.56 135.00 134.10 1rm5 n PRO 24 Ca -0.18 -0.70 -0.28 0.00 -0.04 0.00 0.00 63.50 62.30 1rm5 n PRO 24 Cb 0.54 -1.20 -0.09 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.13 3.04 -0.26 1.53 1.43 -1.26 -2.36 118.68 119.66 1rm5 s LEU 25 Ca 0.17 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 1rm5 s LEU 25 Cb 0.09 -1.76 0.11 0.00 0.03 0.00 0.00 46.19 44.66 1rm5 s LEU 25 CO 0.13 0.13 0.22 -0.62 0.23 0.00 0.00 176.35 176.44 1rm5 s ASP 26 N -2.59 2.15 -0.15 2.29 2.15 -0.34 -4.28 116.67 115.91 1rm5 s ASP 26 Ca 0.24 -0.76 -0.29 0.00 0.43 0.00 0.00 52.55 52.16 1rm5 s ASP 26 Cb -0.10 0.20 -0.02 0.00 -0.30 0.00 0.00 42.92 42.71 1rm5 s ASP 26 CO 0.15 -0.39 1.24 -0.69 -0.17 0.00 0.00 175.17 175.31 1rm5 s VAL 27 N 2.27 4.30 -0.02 1.11 1.01 -1.26 -2.26 120.40 125.55 1rm5 s VAL 27 Ca 0.08 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.69 1rm5 s VAL 27 Cb -0.15 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 1rm5 s VAL 27 CO -0.28 -0.11 0.09 1.33 0.00 0.00 0.00 175.10 176.14 1rm5 n VAL 28 N 5.22 0.00 -3.79 2.92 0.24 -1.09 -4.90 118.33 116.93 1rm5 n VAL 28 Ca 0.13 -0.12 -0.12 0.00 -2.04 0.00 0.00 64.34 62.19 1rm5 n VAL 28 Cb 0.45 0.47 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 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 -2.17 0.08 -0.01 3.34 0.11 -1.25 -1.64 120.40 118.86 1rm5 s VAL 29 Ca -0.01 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.40 1rm5 s VAL 29 Cb 0.03 -0.76 -0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1rm5 s VAL 29 CO 0.16 -0.36 -0.03 -0.63 -3.33 0.00 0.00 175.10 170.91 1rm5 s ILE 30 N -1.98 0.28 -0.68 7.04 1.01 -0.30 -2.40 121.20 124.17 1rm5 s ILE 30 Ca -0.09 -0.13 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1rm5 s ILE 30 Cb -0.03 -0.25 0.18 0.00 0.01 0.00 0.00 42.46 42.37 1rm5 s ILE 30 CO -0.00 0.09 0.53 0.21 0.00 0.00 0.00 174.94 175.76 1rm5 s ASN 31 N 0.01 5.68 -0.36 3.58 2.47 -0.59 -0.48 114.94 125.26 1rm5 s ASN 31 Ca 0.00 -2.78 -0.07 0.00 0.42 0.00 0.00 52.86 50.43 1rm5 s ASN 31 Cb -0.02 -1.96 0.05 0.00 -1.45 0.00 0.00 41.25 37.86 1rm5 s ASN 31 CO -0.00 -0.44 0.14 -0.62 -3.72 0.00 0.00 177.10 172.47 1rm5 s ASP 32 N 1.17 5.41 0.00 -4.21 -1.08 -0.49 -3.07 116.67 114.40 1rm5 s ASP 32 Ca 0.17 -1.21 0.00 0.00 -0.52 0.00 0.00 52.55 50.98 1rm5 s ASP 32 Cb -0.18 -1.90 0.00 0.00 -1.46 0.00 0.00 42.92 39.38 1rm5 s ASP 32 CO -0.05 -0.37 0.68 0.35 0.52 0.00 0.00 175.17 176.29 1rm5 n THR 33 N 4.84 0.57 -0.00 1.71 -2.24 -1.26 -3.08 114.28 114.81 1rm5 n THR 33 Ca -0.12 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1rm5 n THR 33 Cb 0.44 -0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 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 0.47 -0.06 0.00 3.38 0.00 -1.26 -5.05 105.19 102.67 1rm5 n GLY 34 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 2.71 3.85 0.28 -0.02 0.00 -1.18 -4.70 105.19 106.14 1rm5 n GLY 36 Ca -0.01 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 1rm5 n GLY 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1rm5 h VAL 37 N 0.69 1.27 -0.04 1.61 3.04 -1.91 -2.36 116.25 118.54 1rm5 h VAL 37 Ca 0.00 -1.32 -0.22 0.00 -1.01 0.00 0.00 66.70 64.14 1rm5 h VAL 37 Cb 0.00 1.13 0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1rm5 h VAL 37 CO 0.00 0.45 -0.89 0.50 -1.01 0.00 0.00 177.57 176.62 1rm5 h LYS 38 N 0.77 0.52 -0.59 4.17 3.64 -1.94 -2.35 116.57 120.79 1rm5 h LYS 38 Ca 0.11 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1rm5 h LYS 38 Cb 0.73 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1rm5 h LYS 38 CO 0.06 1.14 0.24 0.37 -2.27 0.00 0.00 179.45 178.99 1rm5 h GLN 39 N 0.32 0.88 -0.40 1.90 4.15 -1.82 0.48 115.11 120.62 1rm5 h GLN 39 Ca -0.07 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.12 1rm5 h GLN 39 Cb 1.52 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 29.04 1rm5 h GLN 39 CO 0.16 0.75 -0.04 0.00 -1.93 0.00 0.00 178.83 177.77 1rm5 h ALA 40 N 1.09 1.18 -0.20 3.38 0.00 -1.45 -1.55 119.26 121.71 1rm5 h ALA 40 Ca 0.20 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1rm5 h ALA 40 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1rm5 h ALA 40 CO -0.02 0.53 -0.12 1.03 0.00 0.00 0.00 179.25 180.68 1rm5 h SER 41 N 0.62 0.44 -0.13 0.00 0.87 -0.75 -2.69 113.55 111.91 1rm5 h SER 41 Ca 0.12 -0.43 -0.04 0.00 -1.23 0.00 0.00 61.79 60.22 1rm5 h SER 41 Cb 0.45 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1rm5 h SER 41 CO 0.02 0.77 -0.06 -0.74 -0.53 0.00 0.00 176.83 176.29 1rm5 h HIS 42 N 0.11 0.31 0.00 2.24 6.17 0.09 -3.00 115.15 121.07 1rm5 h HIS 42 Ca 0.04 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1rm5 h HIS 42 Cb 0.62 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.47 1rm5 h HIS 42 CO 0.07 0.60 0.00 1.28 0.71 0.00 0.00 177.93 180.59 1rm5 n LEU 43 N -4.68 0.34 0.03 0.26 4.77 -0.60 -2.00 117.00 115.12 1rm5 n LEU 43 Ca -0.06 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.35 1rm5 n LEU 43 Cb 0.28 -0.48 -0.14 0.00 -2.33 0.00 0.00 43.42 40.75 1rm5 n LEU 43 CO 0.37 -0.26 -0.34 0.25 -1.33 0.00 0.00 177.39 176.08 1rm5 h LEU 44 N 0.00 0.20 0.21 2.23 5.85 -1.45 -3.37 115.31 118.98 1rm5 h LEU 44 Ca 0.00 -0.31 -0.33 0.00 0.84 0.00 0.00 57.88 58.08 1rm5 h LEU 44 Cb 0.44 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 41.43 1rm5 h LEU 44 CO 0.00 1.26 -1.53 0.50 -0.34 0.00 0.00 178.44 178.33 1rm5 h LYS 45 N 0.04 0.45 -5.27 1.25 3.11 -1.38 -3.41 116.57 111.35 1rm5 h LYS 45 Ca -0.23 -0.77 -0.64 0.00 -2.81 0.00 0.00 60.65 56.20 1rm5 h LYS 45 Cb 1.97 0.29 -0.24 0.00 -1.00 0.00 0.00 32.23 33.25 1rm5 h LYS 45 CO 0.13 1.36 -0.70 0.71 -2.81 0.00 0.00 179.45 178.13 1rm5 s TYR 46 N -2.60 2.96 -0.04 1.91 2.02 -0.85 0.12 117.35 120.86 1rm5 s TYR 46 Ca -0.10 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.12 1rm5 s TYR 46 Cb 0.05 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1rm5 s TYR 46 CO 0.91 -0.14 0.07 0.34 -1.57 0.00 0.00 175.55 175.16 1rm5 s ASP 47 N 0.49 0.33 0.33 2.29 -1.08 -1.24 -4.54 116.67 113.25 1rm5 s ASP 47 Ca -0.05 0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.37 1rm5 s ASP 47 Cb -0.15 0.00 1.15 0.00 -1.46 0.00 0.00 42.92 42.47 1rm5 s ASP 47 CO 0.03 -0.17 1.77 0.28 0.52 0.00 0.00 175.17 177.60 1rm5 h SER 48 N 7.63 0.00 0.00 -0.34 0.02 -1.95 -1.21 113.55 117.70 1rm5 h SER 48 Ca -0.35 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.43 1rm5 h SER 48 Cb 1.12 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1rm5 h SER 48 CO 0.37 0.00 -1.66 -0.38 -1.14 0.00 0.00 176.83 174.02 1rm5 n ILE 49 N -2.40 0.66 0.43 3.27 -0.00 -1.26 -4.72 119.36 115.34 1rm5 n ILE 49 Ca 0.01 -0.28 0.11 0.00 -0.00 0.00 0.00 62.75 62.59 1rm5 n ILE 49 Cb 0.19 -0.88 0.00 0.00 -0.00 0.00 0.00 39.64 38.95 1rm5 n ILE 49 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1rm5 n LEU 50 N -2.74 0.59 0.00 1.39 4.77 -1.24 -5.06 117.00 114.71 1rm5 n LEU 50 Ca -0.19 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1rm5 n LEU 50 Cb 0.74 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1rm5 n LEU 50 CO 0.13 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1rm5 n GLY 51 N 1.32 -0.74 3.72 -0.72 0.00 -0.46 -4.89 105.19 103.43 1rm5 n GLY 51 Ca 0.01 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.27 2.59 0.04 2.61 2.01 -1.26 -3.60 115.64 116.76 1rm5 s THR 52 Ca 0.00 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1rm5 s THR 52 Cb 0.00 -3.27 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 1rm5 s THR 52 CO 0.00 0.03 1.58 0.12 -0.69 0.00 0.00 174.62 175.66 1rm5 s PHE 53 N 1.11 2.53 -1.27 4.92 5.36 0.12 -4.91 117.98 125.84 1rm5 s PHE 53 Ca 0.70 0.46 -0.15 0.00 -0.96 0.00 0.00 56.93 56.98 1rm5 s PHE 53 Cb -0.44 -3.87 0.12 0.00 -0.34 0.00 0.00 43.02 38.49 1rm5 s PHE 53 CO 0.32 -3.44 1.64 -3.47 -1.46 0.00 0.00 175.22 168.80 1rm5 n ASP 54 N 5.61 5.02 -3.63 6.13 2.03 -1.26 -4.82 116.55 125.64 1rm5 n ASP 54 Ca 0.15 -2.96 -0.05 0.00 0.52 0.00 0.00 54.79 52.46 1rm5 n ASP 54 Cb 0.42 -1.64 -0.05 0.00 -0.72 0.00 0.00 41.12 39.12 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 2.68 -2.10 -0.42 -1.67 0.00 -1.26 -5.11 121.76 113.88 1rm5 s ALA 55 Ca 0.47 1.78 -0.29 0.00 0.00 0.00 0.00 51.96 53.93 1rm5 s ALA 55 Cb 0.02 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1rm5 s ALA 55 CO 0.03 -0.22 1.40 0.34 0.00 0.00 0.00 175.76 177.32 1rm5 s ASP 56 N -0.66 6.33 -0.14 0.00 -1.08 -1.26 -4.90 116.67 114.96 1rm5 s ASP 56 Ca 0.06 0.79 -0.04 0.00 -0.52 0.00 0.00 52.55 52.84 1rm5 s ASP 56 Cb -0.02 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.87 1rm5 s ASP 56 CO -0.08 -1.44 -0.02 -0.69 0.52 0.00 0.00 175.17 173.45 1rm5 s VAL 57 N 5.44 4.05 0.09 1.11 1.01 -1.26 -1.89 120.40 128.96 1rm5 s VAL 57 Ca 0.60 -0.31 -0.16 0.00 0.00 0.00 0.00 61.98 62.11 1rm5 s VAL 57 Cb -0.13 -2.76 0.03 0.00 0.00 0.00 0.00 36.38 33.52 1rm5 s VAL 57 CO 0.32 0.51 0.39 -0.75 0.00 0.00 0.00 175.10 175.58 1rm5 s LYS 58 N 0.11 1.00 -0.01 2.72 2.20 -0.23 -4.99 119.74 120.53 1rm5 s LYS 58 Ca 0.00 -0.60 -0.25 0.00 -0.36 0.00 0.00 55.97 54.76 1rm5 s LYS 58 Cb -0.13 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.58 1rm5 s LYS 58 CO 0.02 -0.37 0.78 0.95 -0.36 0.00 0.00 175.35 176.37 1rm5 s THR 59 N -3.32 4.90 -0.98 3.43 -4.23 -1.26 0.15 115.64 114.32 1rm5 s THR 59 Ca 0.00 1.63 -0.02 0.00 -1.18 0.00 0.00 61.69 62.13 1rm5 s THR 59 Cb 0.01 -4.12 0.30 0.00 1.34 0.00 0.00 72.50 70.03 1rm5 s THR 59 CO -0.08 0.27 1.37 0.00 -0.54 0.00 0.00 174.62 175.64 1rm5 n ALA 60 N 3.46 5.06 0.00 3.99 0.00 0.26 -4.79 120.51 128.49 1rm5 n ALA 60 Ca -0.00 -4.78 0.00 0.00 0.00 0.00 0.00 53.44 48.65 1rm5 n ALA 60 Cb 0.51 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1rm5 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rm5 n GLY 60 N 1.06 0.88 0.17 0.00 0.00 -1.26 -3.46 105.19 102.57 1rm5 n GLY 60 Ca 0.29 -1.34 0.04 0.00 0.00 0.00 0.00 46.02 45.01 1rm5 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rm5 n ASP 61 N 1.29 1.31 0.00 1.61 -0.08 -1.26 -4.72 116.55 114.70 1rm5 n ASP 61 Ca 0.00 -2.29 0.00 0.00 -1.51 0.00 0.00 54.79 50.99 1rm5 n ASP 61 Cb 0.00 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.24 1rm5 n ASP 61 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1rm5 n SER 62 N -0.66 0.00 -3.66 1.67 3.41 -1.26 -4.92 113.62 108.20 1rm5 n SER 62 Ca 0.06 -1.00 -0.01 0.00 -0.26 0.00 0.00 58.87 57.66 1rm5 n SER 62 Cb 0.56 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.00 -1.88 0.26 7.33 0.00 -1.23 -0.53 121.76 125.72 1rm5 s ALA 63 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1rm5 s ALA 63 Cb 0.00 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 1rm5 s ALA 63 CO 0.00 -1.06 0.07 0.96 0.00 0.00 0.00 175.76 175.74 1rm5 s ILE 64 N -2.79 0.75 -0.05 0.00 -4.36 -0.51 0.91 121.20 115.15 1rm5 s ILE 64 Ca 0.15 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.57 1rm5 s ILE 64 Cb 0.01 -2.61 0.01 0.00 1.25 0.00 0.00 42.46 41.11 1rm5 s ILE 64 CO 0.01 -0.06 -0.13 -0.55 0.24 0.00 0.00 174.94 174.45 1rm5 s SER 65 N -3.34 1.73 -0.17 4.36 0.15 0.39 -1.47 113.70 115.35 1rm5 s SER 65 Ca 0.36 -0.28 -0.00 0.00 0.70 0.00 0.00 55.95 56.72 1rm5 s SER 65 Cb 0.08 -0.62 0.04 0.00 -1.71 0.00 0.00 66.02 63.81 1rm5 s SER 65 CO 0.13 0.08 -0.06 -0.69 1.20 0.00 0.00 173.24 173.90 1rm5 s VAL 66 N 0.36 1.17 -1.08 4.45 1.01 -0.37 -1.07 120.40 124.86 1rm5 s VAL 66 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1rm5 s VAL 66 Cb -0.13 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.93 1rm5 s VAL 66 CO 0.02 0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.73 1rm5 n ASP 67 N 4.86 -3.86 0.00 3.32 8.00 -0.79 -1.67 116.55 126.40 1rm5 n ASP 67 Ca -0.12 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1rm5 n ASP 67 Cb 0.48 -3.31 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 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 -0.75 3.11 3.62 0.44 0.00 -1.26 -5.06 105.19 105.29 1rm5 n GLY 68 Ca -0.15 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 1rm5 n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rm5 n LYS 69 N 0.00 0.90 -4.73 1.61 4.81 -0.67 -4.93 118.16 115.15 1rm5 n LYS 69 Ca 0.00 0.35 -0.33 0.00 -0.87 0.00 0.00 58.31 57.46 1rm5 n LYS 69 Cb 0.00 -2.19 -0.12 0.00 0.02 0.00 0.00 35.03 32.73 1rm5 n LYS 69 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1rm5 s VAL 70 N -1.51 3.28 -0.06 3.15 1.01 -1.26 -1.24 120.40 123.77 1rm5 s VAL 70 Ca 0.77 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1rm5 s VAL 70 Cb -0.41 -2.33 0.03 0.00 0.00 0.00 0.00 36.38 33.66 1rm5 s VAL 70 CO 0.46 0.53 -0.01 -0.63 0.00 0.00 0.00 175.10 175.45 1rm5 s ILE 71 N -0.82 0.40 0.59 2.22 1.01 -0.54 -4.92 121.20 119.15 1rm5 s ILE 71 Ca 0.13 0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.64 1rm5 s ILE 71 Cb -0.11 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1rm5 s ILE 71 CO 0.02 0.24 1.20 -0.75 0.00 0.00 0.00 174.94 175.65 1rm5 s LYS 72 N 1.59 3.02 -0.10 2.79 2.20 -0.65 -1.43 119.74 127.16 1rm5 s LYS 72 Ca -0.01 1.79 0.01 0.00 -0.36 0.00 0.00 55.97 57.41 1rm5 s LYS 72 Cb -0.13 -1.94 0.02 0.00 -1.51 0.00 0.00 37.83 34.27 1rm5 s LYS 72 CO -0.03 -1.16 -0.13 0.08 -0.36 0.00 0.00 175.35 173.74 1rm5 s VAL 73 N -1.63 1.36 0.27 4.02 1.01 0.31 -1.15 120.40 124.59 1rm5 s VAL 73 Ca 0.77 -0.56 0.09 0.00 0.00 0.00 0.00 61.98 62.28 1rm5 s VAL 73 Cb -0.29 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1rm5 s VAL 73 CO 0.32 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 175.01 1rm5 s VAL 74 N 1.05 2.07 -0.16 2.92 1.01 0.37 -4.65 120.40 123.00 1rm5 s VAL 74 Ca -0.06 -2.26 -0.04 0.00 0.00 0.00 0.00 61.98 59.62 1rm5 s VAL 74 Cb -0.15 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.95 1rm5 s VAL 74 CO -0.02 -0.39 0.11 -0.44 0.00 0.00 0.00 175.10 174.36 1rm5 s SER 75 N -3.47 2.03 -0.30 3.32 0.01 -1.26 -1.39 113.70 112.64 1rm5 s SER 75 Ca 0.29 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 57.02 1rm5 s SER 75 Cb -0.01 -0.13 0.18 0.00 0.21 0.00 0.00 66.02 66.28 1rm5 s SER 75 CO 0.13 -0.33 0.86 -0.62 0.41 0.00 0.00 173.24 173.68 1rm5 s ASP 76 N 2.17 -0.87 0.49 2.44 2.15 -1.26 -5.01 116.67 116.78 1rm5 s ASP 76 Ca 0.03 0.46 0.33 0.00 0.43 0.00 0.00 52.55 53.79 1rm5 s ASP 76 Cb -0.15 1.70 1.65 0.00 -0.30 0.00 0.00 42.92 45.81 1rm5 s ASP 76 CO -0.09 -0.16 2.00 -0.09 -0.17 0.00 0.00 175.17 176.66 1rm5 h ARG 77 N 7.93 0.00 -4.59 4.34 2.43 -1.99 -3.39 114.38 119.11 1rm5 h ARG 77 Ca -0.15 0.00 -0.71 0.00 -0.81 0.00 0.00 59.98 58.31 1rm5 h ARG 77 Cb 1.17 0.00 -0.27 0.00 -0.42 0.00 0.00 29.97 30.45 1rm5 h ARG 77 CO 0.05 0.00 -0.54 1.21 -1.51 0.00 0.00 179.97 179.18 1rm5 s ASN 78 N -4.81 5.56 0.37 -3.80 3.84 -1.26 -4.99 114.94 109.86 1rm5 s ASN 78 Ca -0.02 -1.17 0.12 0.00 0.21 0.00 0.00 52.86 52.00 1rm5 s ASN 78 Cb 0.10 -1.96 0.91 0.00 -0.55 0.00 0.00 41.25 39.75 1rm5 s ASN 78 CO 0.37 -0.40 1.85 -0.65 -2.79 0.00 0.00 177.10 175.48 1rm5 h PRO 79 N 8.35 0.57 -0.13 0.43 0.11 -1.90 -2.71 132.00 136.72 1rm5 h PRO 79 Ca -0.24 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.87 1rm5 h PRO 79 Cb 1.09 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1rm5 h PRO 79 CO 0.66 0.38 0.20 -0.39 -0.21 0.00 0.00 178.00 178.64 1rm5 h VAL 80 N 0.59 0.32 -0.61 3.15 -1.51 -1.95 -1.21 116.25 115.02 1rm5 h VAL 80 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.95 1rm5 h VAL 80 Cb 0.92 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1rm5 h VAL 80 CO -0.22 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 172.92 1rm5 n ASN 81 N -3.55 5.26 -4.79 4.19 5.15 -1.02 -4.37 115.26 116.12 1rm5 n ASN 81 Ca 0.00 -2.69 -0.39 0.00 -0.60 0.00 0.00 54.58 50.91 1rm5 n ASN 81 Cb 0.30 -0.63 -0.06 0.00 -0.53 0.00 0.00 39.78 38.86 1rm5 n ASN 81 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1rm5 s LEU 82 N -2.31 4.55 0.00 1.20 1.43 -0.46 -4.95 118.68 118.14 1rm5 s LEU 82 Ca 0.53 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1rm5 s LEU 82 Cb 0.37 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1rm5 s LEU 82 CO 0.20 0.23 0.79 -0.81 0.23 0.00 0.00 176.35 176.99 1rm5 n PRO 83 N 1.57 0.51 0.32 1.29 -0.04 -1.26 -4.41 135.00 132.99 1rm5 n PRO 83 Ca -0.07 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.22 1rm5 n PRO 83 Cb 0.50 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.78 -0.75 -0.57 0.54 -0.00 -1.91 -1.04 115.95 114.01 1rm5 h TRP 84 Ca 0.00 -0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.94 1rm5 h TRP 84 Cb 0.51 0.25 -0.03 0.00 -0.00 0.00 0.00 29.16 29.89 1rm5 h TRP 84 CO 0.20 -0.42 0.38 0.78 -0.00 0.00 0.00 178.44 179.38 1rm5 h GLY 85 N -0.94 0.65 1.37 1.49 0.00 -0.70 -0.13 103.07 104.81 1rm5 h GLY 85 Ca -0.08 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 1rm5 h GLY 85 CO 0.13 0.15 -0.43 -0.55 0.00 0.00 0.00 176.54 175.85 1rm5 h ASP 86 N 0.51 0.74 0.47 0.19 3.32 -1.76 -3.02 116.42 116.87 1rm5 h ASP 86 Ca 0.25 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1rm5 h ASP 86 Cb 0.32 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1rm5 h ASP 86 CO -0.07 1.07 -0.27 0.23 -1.72 0.00 0.00 179.24 178.48 1rm5 n MET 87 N -4.02 0.39 -2.94 3.56 2.81 -0.41 -4.96 117.12 111.55 1rm5 n MET 87 Ca -0.02 -0.18 -0.11 0.00 -1.81 0.00 0.00 57.70 55.57 1rm5 n MET 87 Cb 0.54 -1.50 0.06 0.00 -0.71 0.00 0.00 33.22 31.62 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 1.40 -0.09 3.72 3.03 0.00 -0.13 -4.97 105.19 108.15 1rm5 n GLY 88 Ca 0.10 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.24 3.91 -0.19 -0.61 -1.09 -0.99 -4.81 121.20 114.18 1rm5 s ILE 89 Ca 0.00 1.48 -0.20 0.00 -2.23 0.00 0.00 60.65 59.70 1rm5 s ILE 89 Cb -0.00 -3.95 -0.17 0.00 -1.58 0.00 0.00 42.46 36.77 1rm5 s ILE 89 CO 0.48 0.18 0.18 0.44 -1.23 0.00 0.00 174.94 174.99 1rm5 h ASP 90 N 6.04 0.00 -3.91 3.58 3.32 -1.71 -2.65 116.42 121.10 1rm5 h ASP 90 Ca -0.43 -0.45 -0.43 0.00 0.02 0.00 0.00 57.03 55.75 1rm5 h ASP 90 Cb 1.21 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.46 1rm5 h ASP 90 CO 0.77 1.34 -0.79 -0.22 -1.72 0.00 0.00 179.24 178.62 1rm5 s LEU 91 N -7.95 1.87 -0.17 1.55 2.96 -0.87 -0.52 118.68 115.55 1rm5 s LEU 91 Ca -0.26 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1rm5 s LEU 91 Cb 0.05 -0.56 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 1rm5 s LEU 91 CO 0.53 0.09 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.88 1rm5 s VAL 92 N 0.03 3.30 -0.59 1.68 1.01 -0.36 -1.23 120.40 124.24 1rm5 s VAL 92 Ca -0.01 -0.55 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 1rm5 s VAL 92 Cb -0.07 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.93 1rm5 s VAL 92 CO 0.00 0.48 0.84 -0.63 0.00 0.00 0.00 175.10 175.80 1rm5 s ILE 93 N 0.79 4.54 -0.78 2.22 -1.09 0.14 -1.62 121.20 125.40 1rm5 s ILE 93 Ca -0.03 -0.35 -0.23 0.00 -2.23 0.00 0.00 60.65 57.80 1rm5 s ILE 93 Cb -0.15 -4.54 0.06 0.00 -1.58 0.00 0.00 42.46 36.26 1rm5 s ILE 93 CO 0.01 -1.18 1.15 -0.70 -1.23 0.00 0.00 174.94 172.99 1rm5 s GLU 94 N 3.49 3.28 -0.26 2.79 2.56 -0.56 -1.35 118.70 128.66 1rm5 s GLU 94 Ca 0.21 -0.83 0.11 0.00 0.00 0.00 0.00 54.97 54.45 1rm5 s GLU 94 Cb -0.18 -4.48 0.46 0.00 2.00 0.00 0.00 34.13 31.93 1rm5 s GLU 94 CO 0.12 -1.97 1.18 0.41 -0.56 0.00 0.00 175.26 174.44 1rm5 n GLY 95 N 5.60 5.31 0.09 -1.50 0.00 -0.60 -2.05 105.19 112.04 1rm5 n GLY 95 Ca 0.08 -2.12 0.02 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.72 1.00 -0.87 2.61 -2.24 -1.21 -4.73 114.28 108.13 1rm5 n THR 96 Ca 0.33 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1rm5 n THR 96 Cb 0.90 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 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 1.38 0.56 0.00 3.38 0.00 -1.26 -4.89 105.19 104.35 1rm5 n GLY 97 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1rm5 n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rm5 n VAL 98 N -2.87 0.02 -3.40 1.61 0.24 -1.26 -4.85 118.33 107.82 1rm5 n VAL 98 Ca 0.00 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 1rm5 n VAL 98 Cb 0.00 -0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.30 1rm5 n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1rm5 n PHE 99 N -1.70 3.79 0.75 6.34 3.72 -1.26 -4.81 117.46 124.29 1rm5 n PHE 99 Ca -0.01 -3.72 0.08 0.00 -0.05 0.00 0.00 57.45 53.76 1rm5 n PHE 99 Cb 0.20 -1.15 -0.05 0.00 -0.94 0.00 0.00 39.48 37.54 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 1.86 0.00 -3.22 -4.37 0.24 -1.26 -4.21 118.33 107.37 1rm5 n VAL 100 Ca 0.25 -0.22 -0.19 0.00 -2.04 0.00 0.00 64.34 62.14 1rm5 n VAL 100 Cb 0.37 1.10 -0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 -2.25 5.39 0.26 -1.34 3.84 -1.26 -2.26 116.67 119.05 1rm5 s ASP 101 Ca 0.10 -0.58 -0.04 0.00 -0.00 0.00 0.00 52.55 52.03 1rm5 s ASP 101 Cb 0.13 -0.54 0.33 0.00 -1.38 0.00 0.00 42.92 41.46 1rm5 s ASP 101 CO 0.54 -0.77 1.91 0.03 -0.00 0.00 0.00 175.17 176.89 1rm5 h ARG 102 N 0.74 1.24 0.47 2.11 3.08 -1.94 -0.37 114.38 119.71 1rm5 h ARG 102 Ca -0.40 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 1rm5 h ARG 102 Cb 1.28 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.05 1rm5 h ARG 102 CO 0.49 0.82 -0.23 -0.44 -1.07 0.00 0.00 179.97 179.55 1rm5 h ASP 103 N 1.28 -0.54 -0.00 7.04 5.19 -1.96 0.82 116.42 128.25 1rm5 h ASP 103 Ca 0.39 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 1rm5 h ASP 103 Cb -0.03 0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 1rm5 h ASP 103 CO -0.11 -0.25 -0.02 1.23 -3.12 0.00 0.00 179.24 176.96 1rm5 h GLY 104 N -0.82 -0.02 1.20 2.75 0.00 -1.89 -2.95 103.07 101.34 1rm5 h GLY 104 Ca -0.06 0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1rm5 h GLY 104 CO 0.11 -0.03 0.02 0.00 0.00 0.00 0.00 176.54 176.64 1rm5 h ALA 105 N 0.96 0.97 -0.29 3.60 0.00 -1.12 -2.87 119.26 120.50 1rm5 h ALA 105 Ca 0.01 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.72 1rm5 h ALA 105 Cb 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1rm5 h ALA 105 CO -0.03 0.63 0.26 0.78 0.00 0.00 0.00 179.25 180.89 1rm5 h GLY 106 N 1.00 0.00 1.36 0.00 0.00 -0.66 -1.28 103.07 103.49 1rm5 h GLY 106 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.54 1rm5 h GLY 106 CO 0.02 0.00 0.28 0.50 0.00 0.00 0.00 176.54 177.34 1rm5 h LYS 107 N 0.00 0.00 -0.02 4.80 1.57 -1.40 0.83 116.57 122.35 1rm5 h LYS 107 Ca 0.14 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.72 1rm5 h LYS 107 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1rm5 h LYS 107 CO -0.00 0.00 -0.84 0.45 -0.57 0.00 0.00 179.45 178.49 1rm5 h HIS 108 N 0.00 0.44 -0.19 -1.35 3.86 -1.43 -2.14 115.15 114.33 1rm5 h HIS 108 Ca 0.06 -0.23 -0.14 0.00 -1.16 0.00 0.00 60.37 58.91 1rm5 h HIS 108 Cb 0.62 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1rm5 h HIS 108 CO 0.00 1.01 -0.45 -0.07 0.86 0.00 0.00 177.93 179.28 1rm5 h LEU 109 N 0.19 0.52 -0.39 2.43 3.38 0.49 -0.17 115.31 121.76 1rm5 h LEU 109 Ca -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 1rm5 h LEU 109 Cb 1.45 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1rm5 h LEU 109 CO 0.14 0.90 0.07 1.56 0.09 0.00 0.00 178.44 181.19 1rm5 h GLN 110 N 0.39 0.64 0.00 1.13 4.20 -1.07 -2.05 115.11 118.34 1rm5 h GLN 110 Ca 0.03 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1rm5 h GLN 110 Cb 0.95 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1rm5 h GLN 110 CO 0.08 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 178.93 1rm5 n ALA 111 N -2.36 1.16 0.00 3.87 0.00 -0.82 -4.78 120.51 117.59 1rm5 n ALA 111 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rm5 n ALA 111 Cb 0.22 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.13 0.97 3.79 0.00 0.00 -0.77 -0.30 105.19 107.74 1rm5 n GLY 112 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 2.74 -0.14 4.61 0.00 -0.09 -3.53 121.76 123.35 1rm5 s ALA 113 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.42 1rm5 s ALA 113 Cb 0.00 -3.28 -0.24 0.00 0.00 0.00 0.00 23.12 19.59 1rm5 s ALA 113 CO 0.00 -0.68 0.37 0.87 0.00 0.00 0.00 175.76 176.32 1rm5 h LYS 114 N 0.98 0.17 -3.98 0.00 1.57 -1.50 -3.39 116.57 110.42 1rm5 h LYS 114 Ca -0.49 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 57.89 1rm5 h LYS 114 Cb 1.23 0.11 -0.16 0.00 0.08 0.00 0.00 32.23 33.50 1rm5 h LYS 114 CO 0.57 1.14 -0.54 0.21 -0.57 0.00 0.00 179.45 180.26 1rm5 s LYS 115 N -2.47 0.67 -0.01 3.15 2.20 0.33 -4.92 119.74 118.69 1rm5 s LYS 115 Ca -0.24 -0.99 0.03 0.00 -0.36 0.00 0.00 55.97 54.40 1rm5 s LYS 115 Cb 0.06 0.25 -0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1rm5 s LYS 115 CO 0.71 -0.17 -0.09 0.08 -0.36 0.00 0.00 175.35 175.52 1rm5 s VAL 116 N -3.48 0.74 -0.22 4.02 1.01 -0.44 -1.23 120.40 120.81 1rm5 s VAL 116 Ca 0.03 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.62 1rm5 s VAL 116 Cb 0.04 -0.64 0.06 0.00 0.00 0.00 0.00 36.38 35.84 1rm5 s VAL 116 CO -0.09 0.22 -0.04 -0.22 0.00 0.00 0.00 175.10 174.97 1rm5 s LEU 117 N -0.09 2.25 -0.18 3.92 0.20 -0.64 -1.81 118.68 122.33 1rm5 s LEU 117 Ca 0.02 -1.06 -0.24 0.00 0.69 0.00 0.00 54.13 53.54 1rm5 s LEU 117 Cb -0.05 -1.07 -0.02 0.00 -0.43 0.00 0.00 46.19 44.62 1rm5 s LEU 117 CO -0.00 -0.24 0.77 -0.63 -0.29 0.00 0.00 176.35 175.96 1rm5 s ILE 118 N 1.49 4.92 -0.08 6.68 1.01 -0.34 -1.49 121.20 133.39 1rm5 s ILE 118 Ca -0.04 1.50 -0.04 0.00 0.00 0.00 0.00 60.65 62.06 1rm5 s ILE 118 Cb -0.18 -4.08 -0.15 0.00 0.01 0.00 0.00 42.46 38.06 1rm5 s ILE 118 CO -0.07 0.05 3.12 0.35 0.00 0.00 0.00 174.94 178.39 1rm5 n THR 119 N 4.72 2.84 -3.68 2.92 -2.24 -0.87 -2.36 114.28 115.61 1rm5 n THR 119 Ca 0.03 -1.51 0.01 0.00 -2.27 0.00 0.00 64.05 60.30 1rm5 n THR 119 Cb 0.49 -1.82 -0.00 0.00 -2.10 0.00 0.00 70.33 66.90 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 0.30 -2.19 0.21 6.98 0.00 -1.25 -4.96 121.76 120.86 1rm5 s ALA 120 Ca 0.51 0.53 -0.31 0.00 0.00 0.00 0.00 51.96 52.69 1rm5 s ALA 120 Cb 0.26 0.46 -0.10 0.00 0.00 0.00 0.00 23.12 23.74 1rm5 s ALA 120 CO -0.03 -1.07 1.55 -2.14 0.00 0.00 0.00 175.76 174.08 1rm5 s PRO 121 N -2.45 4.21 0.53 0.00 0.02 -1.26 -4.01 135.00 132.04 1rm5 s PRO 121 Ca 0.16 2.40 -0.12 0.00 0.02 0.00 0.00 61.00 63.46 1rm5 s PRO 121 Cb 0.03 -3.12 -0.06 0.00 0.02 0.00 0.00 34.50 31.38 1rm5 s PRO 121 CO -0.03 -0.57 0.93 0.20 -0.33 0.00 0.00 177.00 177.20 1rm5 s GLY 122 N 0.85 1.81 -0.16 0.52 0.00 -1.26 -4.95 107.32 104.12 1rm5 s GLY 122 Ca 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 45.27 1rm5 s GLY 122 CO 0.37 0.15 -0.09 0.54 0.00 0.00 0.00 173.10 174.07 1rm5 s LYS 122 N -4.54 3.44 0.80 2.90 1.02 -0.96 -4.92 119.74 117.49 1rm5 s LYS 122 Ca 0.54 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.90 1rm5 s LYS 122 Cb -0.10 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1rm5 s LYS 122 CO 0.42 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1rm5 n GLY 123 N 3.86 0.91 3.08 -3.33 0.00 -1.26 -4.34 105.19 104.11 1rm5 n GLY 123 Ca -0.18 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 0.93 5.88 -3.91 1.61 4.64 -1.26 -4.98 116.55 119.45 1rm5 n ASP 124 Ca 0.00 -3.29 -0.25 0.00 -1.38 0.00 0.00 54.79 49.87 1rm5 n ASP 124 Cb 0.00 -1.26 -0.17 0.00 -1.04 0.00 0.00 41.12 38.65 1rm5 n ASP 124 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1rm5 s ILE 125 N -2.24 0.92 0.18 5.18 1.01 -1.26 -4.98 121.20 120.01 1rm5 s ILE 125 Ca 0.31 -0.27 -0.32 0.00 0.00 0.00 0.00 60.65 60.38 1rm5 s ILE 125 Cb 0.00 -0.93 -0.12 0.00 0.01 0.00 0.00 42.46 41.42 1rm5 s ILE 125 CO 0.03 0.34 1.73 -2.65 0.00 0.00 0.00 174.94 174.39 1rm5 n PRO 126 N 4.62 2.70 -4.79 2.79 -0.02 -1.26 -4.81 135.00 134.23 1rm5 n PRO 126 Ca -0.15 0.98 -0.33 0.00 -2.02 0.00 0.00 63.50 61.97 1rm5 n PRO 126 Cb 0.50 -2.82 -0.13 0.00 -0.02 0.00 0.00 33.50 31.03 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 1.49 3.16 0.03 3.45 2.01 -1.26 -0.99 115.64 123.53 1rm5 s THR 127 Ca 0.77 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1rm5 s THR 127 Cb -0.52 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1rm5 s THR 127 CO 0.34 0.56 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.39 1rm5 s TYR 128 N -0.22 1.10 -0.16 4.92 1.51 -0.32 -4.83 117.35 119.36 1rm5 s TYR 128 Ca 0.01 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 1rm5 s TYR 128 Cb -0.13 -0.66 0.04 0.00 -0.11 0.00 0.00 41.96 41.10 1rm5 s TYR 128 CO 0.03 0.02 -0.03 0.08 -1.11 0.00 0.00 175.55 174.53 1rm5 s VAL 129 N -0.81 0.95 0.07 0.71 1.01 -1.26 -4.35 120.40 116.72 1rm5 s VAL 129 Ca 0.01 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.14 1rm5 s VAL 129 Cb -0.07 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.04 1rm5 s VAL 129 CO 0.01 0.10 1.85 0.52 0.00 0.00 0.00 175.10 177.58 1rm5 n VAL 130 N 4.93 0.45 0.00 2.92 0.31 -1.26 -0.98 118.33 124.71 1rm5 n VAL 130 Ca -0.11 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1rm5 n VAL 130 Cb 0.48 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.35 1rm5 n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rm5 n GLY 131 N 4.25 0.56 0.73 2.92 0.00 -1.26 -4.89 105.19 107.50 1rm5 n GLY 131 Ca 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.81 0.39 -2.05 1.61 0.31 -0.15 -4.96 118.33 111.68 1rm5 n VAL 132 Ca 0.00 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.22 1rm5 n VAL 132 Cb 0.00 -1.54 -0.01 0.00 -0.91 0.00 0.00 33.84 31.38 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 -3.28 -0.06 0.29 4.52 2.04 -0.94 -4.92 115.26 112.90 1rm5 n ASN 133 Ca -0.14 -1.54 0.14 0.00 -0.44 0.00 0.00 54.58 52.60 1rm5 n ASN 133 Cb 0.60 -0.04 0.86 0.00 -2.53 0.00 0.00 39.78 38.67 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 0.10 0.00 0.00 -3.83 9.09 -1.93 -2.10 114.58 115.90 1rm5 h GLU 134 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.30 1rm5 h GLU 134 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1rm5 h GLU 134 CO -0.03 0.03 0.02 1.49 0.05 0.00 0.00 179.01 180.57 1rm5 h GLU 135 N 0.00 0.00 -0.24 1.06 4.81 -1.93 -1.90 114.58 116.38 1rm5 h GLU 135 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rm5 h GLU 135 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1rm5 h GLU 135 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.69 1rm5 n GLY 136 N -1.19 0.22 3.79 1.92 0.00 -0.79 -4.92 105.19 104.23 1rm5 n GLY 136 Ca -0.02 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.68 3.38 0.00 1.61 5.04 -0.72 -5.07 117.35 119.91 1rm5 s TYR 137 Ca 0.22 1.67 0.01 0.00 -2.44 0.00 0.00 57.07 56.52 1rm5 s TYR 137 Cb 0.11 -2.97 -0.01 0.00 0.35 0.00 0.00 41.96 39.44 1rm5 s TYR 137 CO 0.16 -0.23 -0.03 0.95 -1.34 0.00 0.00 175.55 175.06 1rm5 s THR 138 N -1.84 0.19 0.45 4.34 -4.23 -1.26 -5.02 115.64 108.27 1rm5 s THR 138 Ca 0.58 -0.27 0.31 0.00 -1.18 0.00 0.00 61.69 61.13 1rm5 s THR 138 Cb -0.16 -0.20 0.31 0.00 1.34 0.00 0.00 72.50 73.79 1rm5 s THR 138 CO 0.21 -0.06 1.95 -0.74 -0.54 0.00 0.00 174.62 175.44 1rm5 h HIS 139 N 5.78 0.00 0.00 3.99 2.76 -1.97 -1.07 115.15 124.65 1rm5 h HIS 139 Ca -0.27 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 57.85 1rm5 h HIS 139 Cb 1.20 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 1rm5 h HIS 139 CO 0.46 0.00 -0.21 0.00 -1.30 0.00 0.00 177.93 176.88 1rm5 h ALA 140 N 1.63 1.22 -2.19 5.26 0.00 -1.95 -3.43 119.26 119.80 1rm5 h ALA 140 Ca 0.00 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 54.16 1rm5 h ALA 140 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1rm5 h ALA 140 CO 0.00 0.26 1.06 -0.51 0.00 0.00 0.00 179.25 180.06 1rm5 s ASP 141 N -6.32 6.67 0.04 0.00 1.01 -0.41 -4.89 116.67 112.77 1rm5 s ASP 141 Ca -0.02 2.00 0.13 0.00 0.71 0.00 0.00 52.55 55.37 1rm5 s ASP 141 Cb 0.12 -2.53 -0.17 0.00 1.01 0.00 0.00 42.92 41.35 1rm5 s ASP 141 CO 0.63 -0.95 0.89 0.71 0.21 0.00 0.00 175.17 176.65 1rm5 h THR 142 N 5.67 0.90 -3.32 -1.27 1.35 -1.89 -3.46 112.91 110.88 1rm5 h THR 142 Ca -0.35 -2.58 -0.45 0.00 -0.55 0.00 0.00 66.41 62.48 1rm5 h THR 142 Cb 1.16 2.38 -0.36 0.00 -1.73 0.00 0.00 68.15 69.60 1rm5 h THR 142 CO 0.97 0.51 -0.78 -0.63 -0.25 0.00 0.00 175.52 175.33 1rm5 s ILE 143 N -2.75 0.65 0.21 6.82 1.01 -1.26 -1.33 121.20 124.56 1rm5 s ILE 143 Ca -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.55 1rm5 s ILE 143 Cb 0.08 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.80 1rm5 s ILE 143 CO 0.81 0.28 -0.01 0.27 0.00 0.00 0.00 174.94 176.30 1rm5 s ILE 144 N 1.42 0.96 0.06 2.92 -4.36 -0.75 -4.22 121.20 117.22 1rm5 s ILE 144 Ca -0.02 -2.02 0.07 0.00 -0.26 0.00 0.00 60.65 58.41 1rm5 s ILE 144 Cb -0.13 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.28 1rm5 s ILE 144 CO -0.03 -0.37 -0.19 -0.55 0.24 0.00 0.00 174.94 174.04 1rm5 s SER 145 N -3.27 2.24 -0.08 4.36 0.15 -0.16 -1.20 113.70 115.73 1rm5 s SER 145 Ca 0.27 -0.55 0.15 0.00 0.70 0.00 0.00 55.95 56.52 1rm5 s SER 145 Cb 0.06 -0.15 0.50 0.00 -1.71 0.00 0.00 66.02 64.71 1rm5 s SER 145 CO 0.07 0.09 1.42 -3.20 1.20 0.00 0.00 173.24 172.82 1rm5 n ASN 146 N 1.63 3.77 -0.71 5.45 5.15 -1.00 -1.17 115.26 128.38 1rm5 n ASN 146 Ca -0.18 -2.41 0.00 0.00 -0.60 0.00 0.00 54.58 51.39 1rm5 n ASN 146 Cb 0.54 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 0.46 0.00 -2.00 5.20 0.00 -1.26 -4.85 120.51 118.06 1rm5 n ALA 147 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.44 1rm5 n ALA 147 Cb 0.70 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.19 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 5.30 0.15 0.00 1.04 -1.26 -3.74 113.70 111.19 1rm5 s SER 148 Ca 0.00 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 1rm5 s SER 148 Cb 0.00 -0.43 0.01 0.00 0.10 0.00 0.00 66.02 65.70 1rm5 s SER 148 CO 0.00 -1.10 1.57 0.00 0.98 0.00 0.00 173.24 174.69 1rm5 h THR 150 N 0.75 1.26 -0.38 0.00 2.02 -1.96 -2.72 112.91 111.87 1rm5 h THR 150 Ca 0.12 -0.94 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1rm5 h THR 150 Cb 0.63 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1rm5 h THR 150 CO 0.04 0.35 0.01 0.74 0.37 0.00 0.00 175.52 177.04 1rm5 h THR 151 N 0.93 1.21 0.00 3.16 2.02 -1.88 -1.55 112.91 116.80 1rm5 h THR 151 Ca 0.20 -0.82 -0.04 0.00 0.77 0.00 0.00 66.41 66.52 1rm5 h THR 151 Cb 0.37 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1rm5 h THR 151 CO 0.00 0.29 -0.18 0.78 0.37 0.00 0.00 175.52 176.78 1rm5 h ASN 152 N 0.57 0.00 0.20 4.18 4.21 -1.18 -1.79 115.58 121.78 1rm5 h ASN 152 Ca 0.12 0.00 -0.32 0.00 1.21 0.00 0.00 56.30 57.31 1rm5 h ASN 152 Cb 0.34 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.57 1rm5 h ASN 152 CO 0.01 0.18 -1.49 0.00 -1.29 0.00 0.00 177.43 174.84 1rm5 h LEU 154 N 0.02 -0.20 -0.78 0.00 3.38 -1.23 -3.38 115.31 113.11 1rm5 h LEU 154 Ca -0.28 -0.33 0.14 0.00 0.09 0.00 0.00 57.88 57.51 1rm5 h LEU 154 Cb 2.04 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 42.70 1rm5 h LEU 154 CO 0.21 0.34 -0.29 0.00 0.09 0.00 0.00 178.44 178.79 1rm5 h ALA 155 N -0.35 0.26 -0.15 1.53 0.00 -1.54 -1.56 119.26 117.44 1rm5 h ALA 155 Ca -0.02 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1rm5 h ALA 155 Cb 0.51 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1rm5 h ALA 155 CO 0.04 -0.54 -0.33 -1.35 0.00 0.00 0.00 179.25 177.06 1rm5 h PRO 156 N -0.06 -0.38 0.00 0.00 0.11 -1.76 -1.55 132.00 128.36 1rm5 h PRO 156 Ca 0.33 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1rm5 h PRO 156 Cb 0.58 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1rm5 h PRO 156 CO -0.82 -0.26 -0.13 0.27 -0.21 0.00 0.00 178.00 176.85 1rm5 h PHE 157 N -0.40 0.00 -0.29 0.65 -0.00 -1.70 -3.13 116.94 112.07 1rm5 h PHE 157 Ca 0.10 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.95 1rm5 h PHE 157 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.49 1rm5 h PHE 157 CO -0.43 0.00 -0.31 0.28 -0.00 0.00 0.00 178.31 177.85 1rm5 h VAL 158 N 0.00 1.28 -0.65 0.88 2.07 -1.05 -1.83 116.25 116.95 1rm5 h VAL 158 Ca 0.00 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1rm5 h VAL 158 Cb 0.96 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 1rm5 h VAL 158 CO 0.00 0.46 0.30 0.50 0.02 0.00 0.00 177.57 178.84 1rm5 h LYS 159 N 0.51 0.95 -0.18 1.57 3.64 -1.24 -1.30 116.57 120.52 1rm5 h LYS 159 Ca 0.06 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1rm5 h LYS 159 Cb 0.79 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1rm5 h LYS 159 CO 0.06 0.77 0.03 0.28 -2.27 0.00 0.00 179.45 178.32 1rm5 h VAL 160 N 0.90 1.22 -0.91 2.00 2.07 -1.46 -2.54 116.25 117.53 1rm5 h VAL 160 Ca 0.22 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1rm5 h VAL 160 Cb 0.14 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1rm5 h VAL 160 CO -0.03 0.22 0.60 -0.07 0.02 0.00 0.00 177.57 178.31 1rm5 h LEU 161 N 0.08 1.00 -0.28 2.57 3.38 -1.12 -1.61 115.31 119.33 1rm5 h LEU 161 Ca 0.05 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1rm5 h LEU 161 Cb 0.30 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rm5 h LEU 161 CO 0.00 0.70 -0.30 -0.78 0.09 0.00 0.00 178.44 178.15 1rm5 h ASP 162 N 1.17 0.76 -0.44 -0.43 3.58 -1.17 -0.71 116.42 119.18 1rm5 h ASP 162 Ca 0.35 -0.48 -0.10 0.00 0.42 0.00 0.00 57.03 57.22 1rm5 h ASP 162 Cb -0.04 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.78 1rm5 h ASP 162 CO -0.10 1.08 -0.10 1.56 -2.88 0.00 0.00 179.24 178.81 1rm5 h GLN 163 N 0.45 0.90 0.15 0.28 4.20 -1.23 -1.61 115.11 118.26 1rm5 h GLN 163 Ca 0.04 -0.31 -0.33 0.00 0.06 0.00 0.00 58.65 58.11 1rm5 h GLN 163 Cb 0.88 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.59 1rm5 h GLN 163 CO 0.07 0.96 -1.67 0.87 -0.67 0.00 0.00 178.83 178.39 1rm5 h LYS 164 N 0.81 0.32 0.00 1.46 1.79 -1.32 -3.42 116.57 116.21 1rm5 h LYS 164 Ca 0.13 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1rm5 h LYS 164 Cb 0.62 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1rm5 h LYS 164 CO 0.04 1.21 -0.93 1.19 -1.08 0.00 0.00 179.45 179.87 1rm5 n PHE 165 N -3.51 0.00 -1.54 -1.35 3.72 -0.30 -4.98 117.46 109.50 1rm5 n PHE 165 Ca -0.21 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.19 1rm5 n PHE 165 Cb 1.06 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 2.34 -3.03 3.71 1.37 0.00 -0.60 -2.62 105.19 106.36 1rm5 n GLY 166 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.03 4.56 -0.23 -0.61 1.01 -1.26 -0.95 121.20 123.69 1rm5 s ILE 167 Ca -0.01 1.86 -0.17 0.00 0.00 0.00 0.00 60.65 62.33 1rm5 s ILE 167 Cb 0.00 -4.19 -0.14 0.00 0.01 0.00 0.00 42.46 38.14 1rm5 s ILE 167 CO 0.03 0.16 -0.10 -0.38 0.00 0.00 0.00 174.94 174.65 1rm5 n ILE 168 N 3.78 1.52 -3.54 2.92 5.41 -0.18 -4.93 119.36 124.34 1rm5 n ILE 168 Ca 0.07 -0.12 -0.09 0.00 1.00 0.00 0.00 62.75 63.60 1rm5 n ILE 168 Cb 0.49 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.36 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 -2.46 1.07 0.12 0.38 -2.85 -1.23 -4.88 119.74 109.90 1rm5 s LYS 169 Ca -0.31 -0.44 -0.25 0.00 -1.00 0.00 0.00 55.97 53.96 1rm5 s LYS 169 Cb 0.09 0.46 0.08 0.00 -2.06 0.00 0.00 37.83 36.40 1rm5 s LYS 169 CO 0.50 -0.47 1.08 0.20 0.10 0.00 0.00 175.35 176.75 1rm5 s GLY 170 N -2.65 -0.15 0.04 0.59 0.00 -0.65 -0.86 107.32 103.64 1rm5 s GLY 170 Ca 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 44.72 44.86 1rm5 s GLY 170 CO -0.08 1.14 -0.04 -1.08 0.00 0.00 0.00 173.10 173.05 1rm5 s THR 171 N -2.67 0.21 0.05 0.90 -1.32 -0.07 -3.43 115.64 109.31 1rm5 s THR 171 Ca 0.17 -1.25 0.01 0.00 -1.21 0.00 0.00 61.69 59.40 1rm5 s THR 171 Cb -0.00 -0.75 -0.03 0.00 -1.51 0.00 0.00 72.50 70.20 1rm5 s THR 171 CO 0.02 -0.66 -0.05 0.00 -2.21 0.00 0.00 174.62 171.72 1rm5 s MET 172 N -2.35 0.54 -0.07 7.08 0.23 -0.74 -1.59 119.30 122.40 1rm5 s MET 172 Ca -0.07 -0.96 -0.03 0.00 -1.03 0.00 0.00 55.69 53.61 1rm5 s MET 172 Cb -0.04 -0.01 0.04 0.00 -1.53 0.00 0.00 34.83 33.29 1rm5 s MET 172 CO -0.04 -0.04 0.15 0.99 -2.03 0.00 0.00 175.02 174.05 1rm5 s THR 173 N -2.56 -0.10 -0.17 3.16 2.01 -0.76 -1.73 115.64 115.50 1rm5 s THR 173 Ca -0.03 0.22 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 1rm5 s THR 173 Cb -0.02 -0.26 -0.01 0.00 0.01 0.00 0.00 72.50 72.23 1rm5 s THR 173 CO -0.04 0.09 -0.12 0.28 -0.69 0.00 0.00 174.62 174.14 1rm5 s THR 174 N 1.43 2.97 -0.51 -0.82 -1.32 -0.94 -1.42 115.64 115.04 1rm5 s THR 174 Ca -0.06 -0.66 -0.19 0.00 -1.21 0.00 0.00 61.69 59.56 1rm5 s THR 174 Cb -0.12 -2.28 0.06 0.00 -1.51 0.00 0.00 72.50 68.65 1rm5 s THR 174 CO -0.06 0.50 0.64 -0.89 -2.21 0.00 0.00 174.62 172.59 1rm5 s THR 175 N 0.85 4.85 0.03 5.08 2.01 -0.52 -0.44 115.64 127.50 1rm5 s THR 175 Ca -0.04 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1rm5 s THR 175 Cb -0.15 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1rm5 s THR 175 CO 0.00 -0.82 -0.08 -2.28 -0.69 0.00 0.00 174.62 170.75 1rm5 s HIS 176 N 2.68 2.84 0.70 4.92 5.04 -0.27 -1.66 115.29 129.55 1rm5 s HIS 176 Ca 0.16 -0.08 -0.13 0.00 -1.54 0.00 0.00 55.06 53.47 1rm5 s HIS 176 Cb -0.19 -1.56 0.02 0.00 0.04 0.00 0.00 32.58 30.89 1rm5 s HIS 176 CO 0.12 0.38 1.11 -1.12 -2.34 0.00 0.00 174.74 172.89 1rm5 s SER 177 N -1.61 4.81 0.57 9.88 0.01 -1.26 -0.99 113.70 125.13 1rm5 s SER 177 Ca 0.18 1.97 -0.17 0.00 1.31 0.00 0.00 55.95 59.25 1rm5 s SER 177 Cb -0.11 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.53 1rm5 s SER 177 CO 0.09 -1.83 1.06 -0.72 0.41 0.00 0.00 173.24 172.25 1rm5 s TYR 178 N -2.50 2.98 0.38 2.43 -0.85 -0.73 -4.76 117.35 114.30 1rm5 s TYR 178 Ca 0.66 1.52 0.03 0.00 -0.52 0.00 0.00 57.07 58.76 1rm5 s TYR 178 Cb -0.20 -3.03 -0.01 0.00 0.38 0.00 0.00 41.96 39.10 1rm5 s TYR 178 CO 0.47 -1.08 0.11 0.25 -1.52 0.00 0.00 175.55 173.77 1rm5 n THR 179 N -1.83 0.00 0.29 -3.49 -2.24 -1.26 -4.73 114.28 101.02 1rm5 n THR 179 Ca 0.09 -2.16 0.13 0.00 -2.27 0.00 0.00 64.05 59.84 1rm5 n THR 179 Cb 0.53 0.72 0.59 0.00 -2.10 0.00 0.00 70.33 70.07 1rm5 n THR 179 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rm5 h GLY 180 N 1.42 0.00 2.00 3.38 0.00 -1.99 -2.69 103.07 105.18 1rm5 h GLY 180 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1rm5 h GLY 180 CO 0.48 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 175.22 1rm5 h ASP 181 N 0.00 0.00 -3.05 0.19 1.82 -2.00 -3.45 116.42 109.93 1rm5 h ASP 181 Ca 0.00 0.00 -0.45 0.00 -0.39 0.00 0.00 57.03 56.19 1rm5 h ASP 181 Cb 0.21 0.00 0.08 0.00 0.68 0.00 0.00 39.33 40.30 1rm5 h ASP 181 CO 0.00 0.00 0.16 -1.10 -1.61 0.00 0.00 179.24 176.69 1rm5 s GLN 182 N -3.21 1.92 -0.02 0.28 -0.21 -1.02 -4.99 119.66 112.41 1rm5 s GLN 182 Ca 0.08 -0.64 0.02 0.00 0.02 0.00 0.00 55.36 54.84 1rm5 s GLN 182 Cb 0.11 -2.24 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1rm5 s GLN 182 CO 0.52 -1.34 -0.06 1.03 -2.12 0.00 0.00 175.29 173.32 1rm5 s ARG 183 N -5.19 2.63 0.15 2.91 1.81 -1.22 -5.02 118.95 115.02 1rm5 s ARG 183 Ca 0.63 -0.66 -0.12 0.00 -1.72 0.00 0.00 55.73 53.87 1rm5 s ARG 183 Cb -0.08 -2.54 0.01 0.00 -0.45 0.00 0.00 34.95 31.89 1rm5 s ARG 183 CO 0.44 0.62 1.58 1.25 -0.68 0.00 0.00 175.30 178.51 1rm5 h LEU 184 N 4.75 0.92 -8.26 2.53 5.85 -1.93 -1.40 115.31 117.77 1rm5 h LEU 184 Ca -0.49 -0.34 -0.31 0.00 0.84 0.00 0.00 57.88 57.59 1rm5 h LEU 184 Cb 1.17 -0.25 -0.21 0.00 0.37 0.00 0.00 40.66 41.74 1rm5 h LEU 184 CO 0.53 1.04 -0.74 -0.76 -0.34 0.00 0.00 178.44 178.18 1rm5 s LEU 185 N -9.27 2.28 -0.43 2.25 1.43 -1.26 -3.99 118.68 109.70 1rm5 s LEU 185 Ca -0.12 -0.61 -0.39 0.00 -1.03 0.00 0.00 54.13 51.99 1rm5 s LEU 185 Cb 0.12 -0.25 -0.17 0.00 0.03 0.00 0.00 46.19 45.92 1rm5 s LEU 185 CO 0.84 -0.19 1.72 0.47 0.23 0.00 0.00 176.35 179.42 1rm5 n ASP 186 N 1.28 0.76 -3.64 2.29 9.92 -1.26 -4.59 116.55 121.31 1rm5 n ASP 186 Ca -0.21 0.71 -0.10 0.00 -0.53 0.00 0.00 54.79 54.65 1rm5 n ASP 186 Cb 0.55 -0.77 -0.04 0.00 -0.64 0.00 0.00 41.12 40.22 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 4.46 -1.06 0.10 2.24 0.00 -0.16 -4.98 121.76 122.36 1rm5 s ALA 187 Ca 1.00 -0.02 -0.36 0.00 0.00 0.00 0.00 51.96 52.58 1rm5 s ALA 187 Cb -1.30 0.80 -0.17 0.00 0.00 0.00 0.00 23.12 22.46 1rm5 s ALA 187 CO 0.61 -0.74 1.22 0.00 0.00 0.00 0.00 175.76 176.85 1rm5 n ALA 188 N -0.31 -1.36 -3.59 0.00 0.00 -1.26 -4.51 120.51 109.47 1rm5 n ALA 188 Ca -0.13 0.51 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 1rm5 n ALA 188 Cb 0.63 -2.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.02 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 0.15 -0.60 0.27 0.00 5.04 -1.26 -4.95 115.29 113.94 1rm5 s HIS 190 Ca 0.81 1.28 -0.02 0.00 -1.54 0.00 0.00 55.06 55.59 1rm5 s HIS 190 Cb -0.97 0.36 0.41 0.00 0.04 0.00 0.00 32.58 32.43 1rm5 s HIS 190 CO 0.50 -0.39 1.89 0.00 -2.34 0.00 0.00 174.74 174.40 1rm5 h ARG 191 N 3.81 1.15 -5.67 2.88 3.08 -1.99 -3.36 114.38 114.28 1rm5 h ARG 191 Ca -0.26 -0.07 -0.63 0.00 0.07 0.00 0.00 59.98 59.08 1rm5 h ARG 191 Cb 1.16 -0.26 -0.14 0.00 0.08 0.00 0.00 29.97 30.81 1rm5 h ARG 191 CO 0.20 0.76 0.32 0.34 -1.07 0.00 0.00 179.97 180.52 1rm5 s ASP 192 N -5.92 6.37 0.28 7.04 -1.08 -1.26 -4.94 116.67 117.16 1rm5 s ASP 192 Ca -0.12 -0.23 0.19 0.00 -0.52 0.00 0.00 52.55 51.87 1rm5 s ASP 192 Cb 0.20 -2.37 1.03 0.00 -1.46 0.00 0.00 42.92 40.32 1rm5 s ASP 192 CO 0.81 -0.93 1.59 0.18 0.52 0.00 0.00 175.17 177.35 1rm5 n LEU 193 N 6.68 0.50 -0.05 -1.34 4.77 -1.26 -2.18 117.00 124.12 1rm5 n LEU 193 Ca 0.01 0.73 -0.22 0.00 -0.03 0.00 0.00 56.01 56.50 1rm5 n LEU 193 Cb 0.48 -0.78 -0.13 0.00 -2.33 0.00 0.00 43.42 40.66 1rm5 n LEU 193 CO 0.58 -0.88 -0.61 0.03 -1.33 0.00 0.00 177.39 175.19 1rm5 h ARG 194 N 0.00 0.13 0.00 3.23 3.08 -1.92 -3.34 114.38 115.56 1rm5 h ARG 194 Ca 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1rm5 h ARG 194 Cb 0.02 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1rm5 h ARG 194 CO 0.00 1.10 0.00 0.54 -1.07 0.00 0.00 179.97 180.54 1rm5 n ARG 195 N -4.03 0.06 0.11 0.04 1.74 -0.93 -1.93 116.66 111.73 1rm5 n ARG 195 Ca -0.31 0.28 0.13 0.00 -0.77 0.00 0.00 57.85 57.18 1rm5 n ARG 195 Cb 0.84 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 31.19 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 -1.38 2.21 -2.12 7.54 0.00 -1.03 -3.41 120.51 122.32 1rm5 n ALA 196 Ca 0.03 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 1rm5 n ALA 196 Cb 0.07 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 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 -3.13 4.04 -0.47 0.00 1.81 -0.81 -0.99 118.95 119.41 1rm5 s ARG 197 Ca 0.10 0.71 -0.43 0.00 -1.72 0.00 0.00 55.73 54.39 1rm5 s ARG 197 Cb 0.12 -2.49 -0.18 0.00 -0.45 0.00 0.00 34.95 31.95 1rm5 s ARG 197 CO 0.57 0.19 2.10 0.00 -0.68 0.00 0.00 175.30 177.48 1rm5 n ALA 198 N -0.22 0.24 -0.00 2.13 0.00 -1.26 -4.49 120.51 116.91 1rm5 n ALA 198 Ca 0.03 0.18 -0.01 0.00 0.00 0.00 0.00 53.44 53.63 1rm5 n ALA 198 Cb 0.53 -2.15 0.26 0.00 0.00 0.00 0.00 19.45 18.08 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 9.24 1.27 -0.01 0.00 0.00 -1.38 -2.91 119.26 125.47 1rm5 h ALA 199 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1rm5 h ALA 199 Cb 1.40 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1rm5 h ALA 199 CO 1.07 0.48 -0.00 0.00 0.00 0.00 0.00 179.25 180.80 1rm5 n LEU 201 N -0.56 0.17 -4.30 0.00 4.77 -1.11 -4.82 117.00 111.16 1rm5 n LEU 201 Ca 0.22 -0.48 -0.16 0.00 -0.03 0.00 0.00 56.01 55.56 1rm5 n LEU 201 Cb 0.21 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1rm5 n LEU 201 CO 0.18 0.04 -0.29 0.20 -1.33 0.00 0.00 177.39 176.19 1rm5 s ASN 202 N -1.40 1.31 -0.29 -1.43 0.01 -1.18 -5.07 114.94 106.88 1rm5 s ASN 202 Ca 0.01 -1.30 -0.11 0.00 -0.71 0.00 0.00 52.86 50.75 1rm5 s ASN 202 Cb 0.03 0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.77 1rm5 s ASN 202 CO 0.15 -0.65 0.19 -0.63 -1.51 0.00 0.00 177.10 174.65 1rm5 s ILE 203 N -3.67 5.22 -0.34 0.60 1.01 -1.26 -4.25 121.20 118.50 1rm5 s ILE 203 Ca 0.33 0.06 -0.00 0.00 0.00 0.00 0.00 60.65 61.03 1rm5 s ILE 203 Cb 0.07 -3.52 0.08 0.00 0.01 0.00 0.00 42.46 39.10 1rm5 s ILE 203 CO 0.10 0.20 0.07 -0.69 0.00 0.00 0.00 174.94 174.63 1rm5 s VAL 204 N 1.74 2.86 0.41 2.92 1.01 0.32 -4.93 120.40 124.74 1rm5 s VAL 204 Ca 0.07 -1.86 -0.26 0.00 0.00 0.00 0.00 61.98 59.93 1rm5 s VAL 204 Cb -0.16 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1rm5 s VAL 204 CO 0.10 -0.42 1.30 -2.84 0.00 0.00 0.00 175.10 173.24 1rm5 s PRO 205 N 1.12 3.94 0.13 2.72 0.02 -1.26 -1.40 135.00 140.27 1rm5 s PRO 205 Ca 0.03 2.14 -0.24 0.00 0.02 0.00 0.00 61.00 62.95 1rm5 s PRO 205 Cb -0.21 -2.73 0.07 0.00 0.02 0.00 0.00 34.50 31.65 1rm5 s PRO 205 CO -0.04 -0.51 0.61 -0.08 -0.33 0.00 0.00 177.00 176.65 1rm5 s THR 206 N -1.27 0.00 0.70 0.99 -1.32 -0.12 -4.75 115.64 109.86 1rm5 s THR 206 Ca 0.57 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.94 1rm5 s THR 206 Cb -0.38 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.62 1rm5 s THR 206 CO 0.48 0.00 1.07 -0.94 -2.21 0.00 0.00 174.62 173.02 1rm5 s SER 207 N -2.54 5.26 0.00 8.08 1.04 -1.26 -1.45 113.70 122.83 1rm5 s SER 207 Ca -0.01 1.69 -0.04 0.00 0.48 0.00 0.00 55.95 58.07 1rm5 s SER 207 Cb -0.01 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1rm5 s SER 207 CO -0.10 -1.52 0.07 0.28 0.98 0.00 0.00 173.24 172.95 1rm5 s THR 208 N -2.94 0.08 -1.71 2.02 -1.32 -1.26 -4.72 115.64 105.80 1rm5 s THR 208 Ca 0.59 -0.68 0.15 0.00 -1.21 0.00 0.00 61.69 60.54 1rm5 s THR 208 Cb -0.15 -0.33 0.09 0.00 -1.51 0.00 0.00 72.50 70.60 1rm5 s THR 208 CO 0.53 -0.37 0.92 0.61 -2.21 0.00 0.00 174.62 174.10 1rm5 n GLY 209 N 1.72 0.00 0.36 6.08 0.00 -1.26 -4.63 105.19 107.47 1rm5 n GLY 209 Ca -0.22 -0.42 0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 2.77 1.64 0.22 4.61 0.00 -1.97 -0.76 119.26 125.77 1rm5 h ALA 210 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1rm5 h ALA 210 Cb 0.58 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1rm5 h ALA 210 CO 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 179.25 178.90 1rm5 h ALA 211 N 1.58 -0.80 0.00 0.00 0.00 -1.92 -1.12 119.26 117.01 1rm5 h ALA 211 Ca 0.52 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 1rm5 h ALA 211 Cb 0.68 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1rm5 h ALA 211 CO -0.29 -1.01 -0.48 1.57 0.00 0.00 0.00 179.25 179.04 1rm5 h LYS 212 N -0.72 0.00 0.00 0.00 2.10 -1.75 -3.00 116.57 113.20 1rm5 h LYS 212 Ca 0.00 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.60 1rm5 h LYS 212 Cb 0.70 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.03 1rm5 h LYS 212 CO -0.19 0.48 -0.27 0.00 -2.00 0.00 0.00 179.45 177.48 1rm5 h ALA 213 N 1.52 1.54 -0.94 0.07 0.00 -0.68 -2.65 119.26 118.12 1rm5 h ALA 213 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1rm5 h ALA 213 Cb 0.94 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1rm5 h ALA 213 CO 0.06 0.33 0.57 0.28 0.00 0.00 0.00 179.25 180.50 1rm5 h VAL 214 N 0.00 1.25 0.00 0.00 2.07 -1.06 -1.52 116.25 116.99 1rm5 h VAL 214 Ca -0.00 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1rm5 h VAL 214 Cb 0.48 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1rm5 h VAL 214 CO 0.03 0.26 -0.02 0.00 0.02 0.00 0.00 177.57 177.87 1rm5 h ALA 215 N 1.31 1.36 0.01 1.67 0.00 -1.60 0.42 119.26 122.43 1rm5 h ALA 215 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1rm5 h ALA 215 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rm5 h ALA 215 CO -0.06 0.03 -0.00 -0.07 0.00 0.00 0.00 179.25 179.14 1rm5 h LEU 216 N 0.00 -0.01 0.00 0.00 3.38 -1.33 -2.45 115.31 114.90 1rm5 h LEU 216 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1rm5 h LEU 216 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1rm5 h LEU 216 CO 0.00 0.25 -0.36 1.33 0.09 0.00 0.00 178.44 179.75 1rm5 n VAL 217 N -4.97 0.35 -3.41 1.22 0.24 -0.95 -4.40 118.33 106.42 1rm5 n VAL 217 Ca -0.08 -0.22 -0.27 0.00 -2.04 0.00 0.00 64.34 61.74 1rm5 n VAL 217 Cb 0.15 -0.26 -0.10 0.00 -1.47 0.00 0.00 33.84 32.16 1rm5 n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rm5 n LEU 218 N -2.03 0.06 -0.50 1.34 4.77 0.10 -4.74 117.00 115.99 1rm5 n LEU 218 Ca 0.05 -4.53 0.41 0.00 -0.03 0.00 0.00 56.01 51.91 1rm5 n LEU 218 Cb 0.42 0.41 0.72 0.00 -2.33 0.00 0.00 43.42 42.63 1rm5 n LEU 218 CO 0.33 1.89 1.34 -0.65 -1.33 0.00 0.00 177.39 178.97 1rm5 h PRO 219 N 5.30 0.06 0.00 3.23 0.11 -1.64 -0.06 132.00 138.99 1rm5 h PRO 219 Ca 0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1rm5 h PRO 219 Cb 0.88 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1rm5 h PRO 219 CO 0.43 0.04 0.00 -0.97 -0.21 0.00 0.00 178.00 177.29 1rm5 h ASN 220 N 0.06 0.00 -0.07 -2.05 -1.24 -1.95 -2.73 115.58 107.60 1rm5 h ASN 220 Ca 0.80 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.81 1rm5 h ASN 220 Cb 2.85 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.90 1rm5 h ASN 220 CO -0.20 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.12 1rm5 n LEU 221 N -2.49 2.22 -4.67 0.34 4.77 -0.04 -4.94 117.00 112.19 1rm5 n LEU 221 Ca 0.01 -0.78 -0.50 0.00 -0.03 0.00 0.00 56.01 54.71 1rm5 n LEU 221 Cb 0.19 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1rm5 n LEU 221 CO 0.19 0.39 1.27 1.17 -1.33 0.00 0.00 177.39 179.09 1rm5 n LYS 222 N 0.72 1.84 -0.98 3.23 4.81 -1.03 -1.16 118.16 125.60 1rm5 n LYS 222 Ca 0.17 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.28 1rm5 n LYS 222 Cb 0.46 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 3.75 0.52 0.00 3.14 0.00 -1.26 -4.91 105.19 106.43 1rm5 n GLY 223 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.22 0.20 -4.23 1.61 5.02 -0.31 -5.01 118.16 113.23 1rm5 n LYS 224 Ca 0.00 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1rm5 n LYS 224 Cb 0.06 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.46 2.53 0.26 -0.35 1.43 -1.26 -1.63 118.68 116.19 1rm5 s LEU 225 Ca 0.03 -1.01 -0.19 0.00 -1.03 0.00 0.00 54.13 51.93 1rm5 s LEU 225 Cb 0.15 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 46.13 1rm5 s LEU 225 CO 0.88 -0.37 0.65 0.21 0.23 0.00 0.00 176.35 177.95 1rm5 s ASN 226 N -3.13 -0.24 0.00 2.29 2.47 -1.22 -4.60 114.94 110.50 1rm5 s ASN 226 Ca 0.15 -0.63 0.00 0.00 0.42 0.00 0.00 52.86 52.80 1rm5 s ASN 226 Cb 0.03 0.69 0.00 0.00 -1.45 0.00 0.00 41.25 40.52 1rm5 s ASN 226 CO -0.01 -1.27 0.00 0.61 -3.72 0.00 0.00 177.10 172.71 1rm5 n GLY 227 N -0.43 -1.25 3.32 1.21 0.00 -1.26 -1.80 105.19 104.97 1rm5 n GLY 227 Ca -0.05 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.22 0.00 0.05 -0.61 -4.36 -0.71 -4.53 121.20 108.82 1rm5 s ILE 228 Ca 0.00 -1.93 0.03 0.00 -0.26 0.00 0.00 60.65 58.49 1rm5 s ILE 228 Cb 0.00 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.16 1rm5 s ILE 228 CO 0.00 0.00 -0.10 0.00 0.24 0.00 0.00 174.94 175.08 1rm5 s ALA 229 N -3.42 0.74 -0.24 2.27 0.00 -0.53 -2.20 121.76 118.38 1rm5 s ALA 229 Ca 0.39 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 1rm5 s ALA 229 Cb 0.02 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.20 1rm5 s ALA 229 CO 0.25 0.05 -0.00 -0.51 0.00 0.00 0.00 175.76 175.55 1rm5 s LEU 230 N -1.50 2.22 0.01 0.00 1.43 0.42 -0.94 118.68 120.31 1rm5 s LEU 230 Ca -0.07 -1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 51.56 1rm5 s LEU 230 Cb -0.09 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.11 1rm5 s LEU 230 CO 0.01 -0.29 0.93 -0.13 0.23 0.00 0.00 176.35 177.10 1rm5 s ARG 231 N 1.54 4.56 0.25 1.70 1.81 -0.49 -1.12 118.95 127.21 1rm5 s ARG 231 Ca -0.01 1.35 0.06 0.00 -1.72 0.00 0.00 55.73 55.40 1rm5 s ARG 231 Cb -0.18 -3.44 -0.05 0.00 -0.45 0.00 0.00 34.95 30.82 1rm5 s ARG 231 CO -0.09 0.02 -0.06 0.14 -0.68 0.00 0.00 175.30 174.62 1rm5 s VAL 232 N 0.78 1.53 -0.01 3.52 -7.23 -0.16 -0.52 120.40 118.31 1rm5 s VAL 232 Ca 0.49 -2.12 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 1rm5 s VAL 232 Cb -0.21 -2.35 -0.06 0.00 0.56 0.00 0.00 36.38 34.32 1rm5 s VAL 232 CO 0.27 -0.36 1.21 -2.65 -0.31 0.00 0.00 175.10 173.26 1rm5 n PRO 233 N -0.51 0.46 -4.50 4.82 -0.02 -1.26 -3.24 135.00 130.76 1rm5 n PRO 233 Ca -0.06 -0.25 -0.23 0.00 -2.02 0.00 0.00 63.50 60.94 1rm5 n PRO 233 Cb 0.63 -1.63 -0.14 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.61 1.43 -0.32 3.45 -4.23 -1.26 -5.02 115.64 112.29 1rm5 s THR 234 Ca 0.15 -1.13 0.26 0.00 -1.18 0.00 0.00 61.69 59.80 1rm5 s THR 234 Cb 0.07 -1.26 0.35 0.00 1.34 0.00 0.00 72.50 72.99 1rm5 s THR 234 CO -0.00 0.11 1.74 1.55 -0.54 0.00 0.00 174.62 177.47 1rm5 h PRO 235 N 4.86 0.00 -1.76 3.99 0.13 -1.87 -1.94 132.00 135.41 1rm5 h PRO 235 Ca -0.41 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.84 1rm5 h PRO 235 Cb 1.17 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 1rm5 h PRO 235 CO 0.44 0.00 0.58 1.21 -0.23 0.00 0.00 178.00 179.99 1rm5 s ASN 236 N -5.80 -0.33 0.00 1.44 2.47 -1.26 -4.70 114.94 106.76 1rm5 s ASN 236 Ca 0.06 0.22 0.00 0.00 0.42 0.00 0.00 52.86 53.56 1rm5 s ASN 236 Cb 0.07 0.30 0.00 0.00 -1.45 0.00 0.00 41.25 40.17 1rm5 s ASN 236 CO 0.61 -0.40 0.00 0.52 -3.72 0.00 0.00 177.10 174.11 1rm5 n VAL 237 N 0.33 -0.54 -4.37 -5.21 0.31 -1.26 -4.93 118.33 102.66 1rm5 n VAL 237 Ca -0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.06 1rm5 n VAL 237 Cb 0.59 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.89 1rm5 n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rm5 s SER 238 N -0.35 1.70 -0.04 4.52 0.01 0.13 -4.04 113.70 115.64 1rm5 s SER 238 Ca 0.00 -1.51 -0.03 0.00 1.31 0.00 0.00 55.95 55.72 1rm5 s SER 238 Cb 0.00 0.29 0.01 0.00 0.21 0.00 0.00 66.02 66.53 1rm5 s SER 238 CO 0.00 -0.82 0.10 0.54 0.41 0.00 0.00 173.24 173.47 1rm5 s VAL 239 N -3.56 -0.01 -0.09 3.43 0.11 -0.66 -1.63 120.40 117.99 1rm5 s VAL 239 Ca 0.35 0.03 -0.04 0.00 -2.93 0.00 0.00 61.98 59.39 1rm5 s VAL 239 Cb 0.06 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.73 1rm5 s VAL 239 CO 0.16 0.01 0.06 -0.69 -3.33 0.00 0.00 175.10 171.31 1rm5 s VAL 240 N 0.20 4.79 -0.27 2.04 1.01 0.05 -1.44 120.40 126.79 1rm5 s VAL 240 Ca -0.01 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1rm5 s VAL 240 Cb -0.02 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.37 1rm5 s VAL 240 CO -0.01 0.58 -0.01 -0.62 0.00 0.00 0.00 175.10 175.04 1rm5 s ASP 241 N -1.03 4.08 -0.12 3.32 2.15 -0.50 -1.58 116.67 122.99 1rm5 s ASP 241 Ca 0.15 -1.45 -0.00 0.00 0.43 0.00 0.00 52.55 51.68 1rm5 s ASP 241 Cb -0.12 -1.23 -0.02 0.00 -0.30 0.00 0.00 42.92 41.25 1rm5 s ASP 241 CO 0.04 -0.29 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.42 1rm5 s LEU 242 N 1.32 2.85 -0.14 -1.34 2.96 -0.64 -1.82 118.68 121.87 1rm5 s LEU 242 Ca -0.00 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1rm5 s LEU 242 Cb -0.19 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.88 1rm5 s LEU 242 CO -0.09 0.21 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.31 1rm5 s VAL 243 N 0.09 1.57 0.06 1.68 1.01 -0.62 -1.24 120.40 122.95 1rm5 s VAL 243 Ca -0.04 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1rm5 s VAL 243 Cb -0.14 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1rm5 s VAL 243 CO 0.04 0.46 -0.08 0.68 0.00 0.00 0.00 175.10 176.20 1rm5 s VAL 244 N 1.35 0.67 -0.20 2.92 -7.23 -0.55 -0.89 120.40 116.46 1rm5 s VAL 244 Ca 0.02 -1.35 -0.08 0.00 -1.81 0.00 0.00 61.98 58.76 1rm5 s VAL 244 Cb -0.13 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 1rm5 s VAL 244 CO -0.08 -0.50 0.09 -1.58 -0.31 0.00 0.00 175.10 172.72 1rm5 s GLN 245 N -2.22 4.01 0.31 4.82 0.74 -0.04 -0.95 119.66 126.33 1rm5 s GLN 245 Ca -0.03 -0.32 0.08 0.00 0.05 0.00 0.00 55.36 55.15 1rm5 s GLN 245 Cb -0.06 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 1rm5 s GLN 245 CO -0.01 0.23 0.12 0.14 -0.55 0.00 0.00 175.29 175.22 1rm5 s VAL 246 N 0.52 3.31 -0.10 1.34 -7.23 -0.53 -1.01 120.40 116.70 1rm5 s VAL 246 Ca 0.05 -1.70 0.14 0.00 -1.81 0.00 0.00 61.98 58.66 1rm5 s VAL 246 Cb -0.12 -3.00 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 1rm5 s VAL 246 CO 0.00 -0.25 1.24 0.77 -0.31 0.00 0.00 175.10 176.56 1rm5 h SER 247 N 1.61 0.00 -3.64 4.85 4.64 -0.88 -3.45 113.55 116.68 1rm5 h SER 247 Ca -0.44 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.23 1rm5 h SER 247 Cb 1.25 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.12 1rm5 h SER 247 CO 0.62 0.61 -0.61 -0.75 -0.87 0.00 0.00 176.83 175.83 1rm5 s LYS 248 N -2.90 3.70 0.49 4.77 2.20 -1.08 -5.08 119.74 121.85 1rm5 s LYS 248 Ca 0.02 -0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 54.94 1rm5 s LYS 248 Cb 0.08 -3.34 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 1rm5 s LYS 248 CO 0.78 -0.15 1.31 1.63 -0.36 0.00 0.00 175.35 178.56 1rm5 n LYS 249 N 4.83 1.81 -1.03 4.03 5.02 -1.26 -4.92 118.16 126.63 1rm5 n LYS 249 Ca -0.16 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1rm5 n LYS 249 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 1rm5 n LYS 249 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1rm5 n THR 250 N -0.68 0.00 -3.79 -0.18 5.66 -0.85 -5.05 114.28 109.39 1rm5 n THR 250 Ca 0.08 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.99 1rm5 n THR 250 Cb 0.43 0.00 -0.06 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 -8.00 0.05 0.22 1.09 -0.71 -1.26 -4.72 117.98 104.64 1rm5 s PHE 251 Ca 0.00 -0.44 -0.16 0.00 -1.04 0.00 0.00 56.93 55.29 1rm5 s PHE 251 Cb 0.00 0.05 0.23 0.00 -1.21 0.00 0.00 43.02 42.09 1rm5 s PHE 251 CO 0.00 -0.61 1.59 0.00 -1.34 0.00 0.00 175.22 174.86 1rm5 h ALA 252 N 2.61 0.23 0.00 1.99 0.00 -1.90 -1.72 119.26 120.46 1rm5 h ALA 252 Ca -0.34 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1rm5 h ALA 252 Cb 1.22 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1rm5 h ALA 252 CO 0.53 -0.55 -0.37 0.93 0.00 0.00 0.00 179.25 179.79 1rm5 h GLU 253 N -0.07 0.00 -0.37 0.00 4.39 -1.97 -1.99 114.58 114.57 1rm5 h GLU 253 Ca 0.31 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.87 1rm5 h GLU 253 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1rm5 h GLU 253 CO -0.78 0.37 -0.35 1.49 -1.16 0.00 0.00 179.01 178.57 1rm5 h GLU 254 N 0.00 0.86 -0.31 2.33 4.81 -1.76 -2.31 114.58 118.21 1rm5 h GLU 254 Ca -0.00 -0.43 -0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1rm5 h GLU 254 Cb 0.69 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1rm5 h GLU 254 CO 0.05 1.07 0.12 0.28 -0.73 0.00 0.00 179.01 179.80 1rm5 h VAL 255 N 0.71 1.18 -0.83 0.32 2.07 -1.07 -2.40 116.25 116.23 1rm5 h VAL 255 Ca 0.07 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.07 1rm5 h VAL 255 Cb 0.92 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1rm5 h VAL 255 CO 0.09 0.19 0.53 0.78 0.02 0.00 0.00 177.57 179.17 1rm5 h ASN 256 N 0.35 0.86 -0.29 0.57 -0.26 -1.30 -2.34 115.58 113.17 1rm5 h ASN 256 Ca 0.10 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1rm5 h ASN 256 Cb 0.18 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1rm5 h ASN 256 CO -0.01 0.58 0.01 0.00 -1.06 0.00 0.00 177.43 176.95 1rm5 h ALA 257 N 1.36 1.30 -0.72 -0.83 0.00 -1.25 -1.72 119.26 117.40 1rm5 h ALA 257 Ca 0.34 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1rm5 h ALA 257 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1rm5 h ALA 257 CO -0.13 0.48 0.21 0.00 0.00 0.00 0.00 179.25 179.81 1rm5 h ALA 258 N 1.44 0.94 -0.42 0.00 0.00 -0.92 -2.14 119.26 118.16 1rm5 h ALA 258 Ca 0.12 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1rm5 h ALA 258 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1rm5 h ALA 258 CO 0.01 0.63 -0.16 0.74 0.00 0.00 0.00 179.25 180.48 1rm5 h PHE 259 N 1.07 0.88 -0.48 0.00 0.04 -1.11 -3.07 116.94 114.26 1rm5 h PHE 259 Ca 0.23 -0.18 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 1rm5 h PHE 259 Cb 0.32 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1rm5 h PHE 259 CO 0.03 0.89 -0.03 0.00 -0.60 0.00 0.00 178.31 178.60 1rm5 h ARG 260 N 0.70 0.81 -0.75 1.51 3.08 -1.00 -1.74 114.38 117.00 1rm5 h ARG 260 Ca 0.11 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1rm5 h ARG 260 Cb 0.65 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 1rm5 h ARG 260 CO 0.05 0.83 0.34 0.93 -1.07 0.00 0.00 179.97 181.05 1rm5 h GLU 261 N 0.75 1.08 -0.11 0.04 5.08 -1.30 -1.34 114.58 118.78 1rm5 h GLU 261 Ca 0.14 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1rm5 h GLU 261 Cb 0.49 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1rm5 h GLU 261 CO 0.02 0.85 -0.27 0.77 -1.00 0.00 0.00 179.01 179.38 1rm5 h SER 262 N 1.07 0.44 -0.45 1.42 0.02 -1.45 -2.44 113.55 112.15 1rm5 h SER 262 Ca 0.26 -0.58 0.07 0.00 -0.84 0.00 0.00 61.79 60.70 1rm5 h SER 262 Cb 0.14 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1rm5 h SER 262 CO -0.03 0.94 0.31 0.00 -1.14 0.00 0.00 176.83 176.91 1rm5 h ALA 263 N 0.51 2.01 0.00 3.77 0.00 -1.13 0.10 119.26 124.52 1rm5 h ALA 263 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rm5 h ALA 263 Cb 0.88 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1rm5 h ALA 263 CO 0.06 -0.11 -0.26 -0.25 0.00 0.00 0.00 179.25 178.70 1rm5 n ASP 264 N -4.47 0.56 0.00 0.00 8.00 -0.52 -3.31 116.55 116.81 1rm5 n ASP 264 Ca 0.06 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1rm5 n ASP 264 Cb 0.29 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.94 0.00 0.27 -2.24 4.13 0.22 -4.84 115.26 110.87 1rm5 n ASN 265 Ca 0.05 0.00 0.18 0.00 1.68 0.00 0.00 54.58 56.49 1rm5 n ASN 265 Cb 0.40 0.00 0.94 0.00 -1.54 0.00 0.00 39.78 39.58 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 -0.27 3.52 9.09 -1.80 -2.57 114.58 122.55 1rm5 h GLU 266 Ca 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 1rm5 h GLU 266 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 1rm5 h GLU 266 CO 0.00 0.00 -0.01 1.28 0.05 0.00 0.00 179.01 180.33 1rm5 n LEU 267 N -3.53 3.88 -4.69 3.06 4.77 -0.42 -5.01 117.00 115.06 1rm5 n LEU 267 Ca -0.01 -3.20 -0.42 0.00 -0.03 0.00 0.00 56.01 52.35 1rm5 n LEU 267 Cb 0.22 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.71 1rm5 n LEU 267 CO 0.24 0.81 1.34 -0.75 -1.33 0.00 0.00 177.39 177.70 1rm5 s LYS 268 N -2.94 4.19 0.00 3.23 2.20 -0.97 -1.32 119.74 124.13 1rm5 s LYS 268 Ca 0.42 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.41 1rm5 s LYS 268 Cb 0.35 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 1rm5 s LYS 268 CO 0.06 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.73 1rm5 n GLY 269 N 4.00 1.11 0.50 5.54 0.00 -1.26 -4.84 105.19 110.24 1rm5 n GLY 269 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.71 -4.59 -0.61 2.08 -0.43 -4.33 119.36 110.20 1rm5 n ILE 270 Ca 0.00 -0.20 -0.30 0.00 0.56 0.00 0.00 62.75 62.81 1rm5 n ILE 270 Cb 0.00 -1.54 -0.13 0.00 -0.75 0.00 0.00 39.64 37.22 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 -6.52 2.47 0.08 1.39 2.96 -0.58 -1.12 118.68 117.36 1rm5 s LEU 271 Ca -0.18 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 1rm5 s LEU 271 Cb 0.06 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1rm5 s LEU 271 CO 0.24 0.22 0.03 -0.55 -1.32 0.00 0.00 176.35 174.98 1rm5 s SER 272 N -1.67 0.38 -0.10 3.68 0.15 -0.75 -4.61 113.70 110.79 1rm5 s SER 272 Ca 0.15 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1rm5 s SER 272 Cb -0.10 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1rm5 s SER 272 CO 0.06 -0.66 -0.08 -0.69 1.20 0.00 0.00 173.24 173.07 1rm5 s VAL 273 N -3.94 1.00 -0.19 4.45 1.01 -1.26 -0.90 120.40 120.57 1rm5 s VAL 273 Ca 0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1rm5 s VAL 273 Cb 0.07 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1rm5 s VAL 273 CO -0.07 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.39 1rm5 n ASP 275 N 3.99 3.37 -4.94 0.00 8.00 -1.26 -2.44 116.55 123.26 1rm5 n ASP 275 Ca -0.17 -1.96 -0.25 0.00 0.71 0.00 0.00 54.79 53.12 1rm5 n ASP 275 Cb 0.52 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.38 3.47 -1.31 -1.24 2.02 -1.26 -4.89 118.70 114.11 1rm5 s GLU 276 Ca 0.36 -0.51 -0.13 0.00 0.02 0.00 0.00 54.97 54.71 1rm5 s GLU 276 Cb 0.21 -2.86 0.12 0.00 0.10 0.00 0.00 34.13 31.70 1rm5 s GLU 276 CO 0.29 0.41 1.83 -0.35 0.02 0.00 0.00 175.26 177.46 1rm5 n PRO 277 N -0.96 3.31 -2.39 0.39 -0.04 -1.26 -4.98 135.00 129.08 1rm5 n PRO 277 Ca -0.06 -3.34 -0.17 0.00 -0.04 0.00 0.00 63.50 59.89 1rm5 n PRO 277 Cb 0.55 -3.14 0.07 0.00 -0.04 0.00 0.00 33.50 30.94 1rm5 n PRO 277 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1rm5 n LEU 278 N 5.61 0.00 -4.33 1.53 4.77 -1.26 -5.15 117.00 118.17 1rm5 n LEU 278 Ca 0.44 -1.85 -0.17 0.00 -0.03 0.00 0.00 56.01 54.40 1rm5 n LEU 278 Cb 0.40 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 1rm5 n LEU 278 CO 0.78 -0.76 -0.24 0.68 -1.33 0.00 0.00 177.39 176.52 1rm5 s VAL 279 N -2.08 0.52 0.28 4.08 -7.23 -1.26 -5.07 120.40 109.64 1rm5 s VAL 279 Ca 0.50 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1rm5 s VAL 279 Cb -0.03 -2.60 0.27 0.00 0.56 0.00 0.00 36.38 34.58 1rm5 s VAL 279 CO 0.32 0.00 1.69 0.77 -0.31 0.00 0.00 175.10 177.58 1rm5 h SER 280 N 2.32 0.25 -0.16 4.85 4.64 -1.99 -1.45 113.55 122.00 1rm5 h SER 280 Ca -0.37 0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.15 1rm5 h SER 280 Cb 1.25 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.48 1rm5 h SER 280 CO 0.59 -0.01 0.12 -0.29 -0.87 0.00 0.00 176.83 176.37 1rm5 h ILE 281 N 0.37 0.85 0.00 0.95 6.09 -1.98 -1.67 117.51 122.13 1rm5 h ILE 281 Ca 0.52 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.01 1rm5 h ILE 281 Cb 0.95 0.92 0.00 0.00 0.47 0.00 0.00 36.82 39.16 1rm5 h ILE 281 CO -0.52 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.03 1rm5 n ASP 282 N -4.39 0.40 -1.26 2.19 8.00 -0.55 -2.85 116.55 118.10 1rm5 n ASP 282 Ca 0.01 0.59 0.12 0.00 0.71 0.00 0.00 54.79 56.22 1rm5 n ASP 282 Cb 0.25 -0.68 0.28 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.93 0.79 -2.12 1.24 3.72 -0.63 -4.96 117.46 113.56 1rm5 n PHE 283 Ca 0.03 -0.40 -0.41 0.00 -0.05 0.00 0.00 57.45 56.61 1rm5 n PHE 283 Cb 0.22 -0.00 -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 -1.18 4.33 -0.88 -1.08 0.52 -1.13 -3.16 118.95 116.38 1rm5 s ARG 284 Ca 0.45 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.82 1rm5 s ARG 284 Cb 0.24 -3.16 0.00 0.00 0.52 0.00 0.00 34.95 32.56 1rm5 s ARG 284 CO 0.32 -0.33 0.00 0.00 0.02 0.00 0.00 175.30 175.31 1rm5 s THR 286 N -2.49 4.64 -0.41 0.00 -4.23 -1.19 -4.99 115.64 106.98 1rm5 s THR 286 Ca 0.00 1.36 0.22 0.00 -1.18 0.00 0.00 61.69 62.09 1rm5 s THR 286 Cb 0.00 -3.97 0.31 0.00 1.34 0.00 0.00 72.50 70.18 1rm5 s THR 286 CO 0.00 0.54 1.59 0.44 -0.54 0.00 0.00 174.62 176.65 1rm5 h ASP 287 N 4.53 0.00 -4.27 3.99 3.32 -1.93 -3.36 116.42 118.69 1rm5 h ASP 287 Ca -0.49 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.07 1rm5 h ASP 287 Cb 1.21 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.88 1rm5 h ASP 287 CO 0.64 0.06 0.33 0.68 -1.72 0.00 0.00 179.24 179.23 1rm5 s VAL 288 N -3.18 3.12 -0.11 -1.35 -7.23 -1.26 -4.88 120.40 105.51 1rm5 s VAL 288 Ca 0.07 0.36 0.15 0.00 -1.81 0.00 0.00 61.98 60.75 1rm5 s VAL 288 Cb 0.05 -3.07 -0.09 0.00 0.56 0.00 0.00 36.38 33.83 1rm5 s VAL 288 CO 0.68 -0.48 1.01 0.28 -0.31 0.00 0.00 175.10 176.28 1rm5 h SER 289 N -1.11 0.00 -3.74 4.85 0.02 -1.35 -3.44 113.55 108.78 1rm5 h SER 289 Ca -0.47 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.38 1rm5 h SER 289 Cb 1.26 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.56 1rm5 h SER 289 CO 0.58 0.61 -0.18 -0.55 -1.14 0.00 0.00 176.83 176.15 1rm5 s SER 290 N -6.04 -0.51 -0.17 3.07 0.15 -1.08 -4.28 113.70 104.83 1rm5 s SER 290 Ca -0.01 0.96 -0.00 0.00 0.70 0.00 0.00 55.95 57.60 1rm5 s SER 290 Cb 0.08 0.94 0.04 0.00 -1.71 0.00 0.00 66.02 65.38 1rm5 s SER 290 CO 0.80 -0.17 -0.05 -0.89 1.20 0.00 0.00 173.24 174.13 1rm5 s THR 291 N 0.52 1.12 0.18 6.45 2.01 -0.51 -1.81 115.64 123.60 1rm5 s THR 291 Ca -0.02 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 1rm5 s THR 291 Cb -0.04 -1.33 -0.08 0.00 0.01 0.00 0.00 72.50 71.06 1rm5 s THR 291 CO -0.03 0.08 1.23 -0.63 -0.69 0.00 0.00 174.62 174.59 1rm5 s ILE 292 N 1.62 3.51 -0.89 1.82 -1.09 -0.08 -1.09 121.20 125.00 1rm5 s ILE 292 Ca -0.00 1.24 -0.14 0.00 -2.23 0.00 0.00 60.65 59.51 1rm5 s ILE 292 Cb -0.16 -3.79 0.21 0.00 -1.58 0.00 0.00 42.46 37.14 1rm5 s ILE 292 CO -0.08 0.18 0.88 -0.62 -1.23 0.00 0.00 174.94 174.08 1rm5 s ASP 293 N 0.29 6.81 0.36 3.58 -1.08 -0.75 -0.84 116.67 125.04 1rm5 s ASP 293 Ca 0.55 -2.68 0.14 0.00 -0.52 0.00 0.00 52.55 50.04 1rm5 s ASP 293 Cb -0.33 -2.25 0.99 0.00 -1.46 0.00 0.00 42.92 39.87 1rm5 s ASP 293 CO 0.36 -0.64 1.75 0.77 0.52 0.00 0.00 175.17 177.94 1rm5 h SER 294 N 7.84 0.56 0.52 -0.34 4.64 -1.79 -1.72 113.55 123.27 1rm5 h SER 294 Ca 0.13 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1rm5 h SER 294 Cb 1.02 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1rm5 h SER 294 CO 0.85 0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 175.38 1rm5 n SER 295 N -4.74 0.00 0.00 4.97 3.41 -1.26 -2.95 113.62 113.05 1rm5 n SER 295 Ca 0.26 0.27 0.10 0.00 -0.26 0.00 0.00 58.87 59.24 1rm5 n SER 295 Cb 0.81 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 1rm5 n SER 295 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rm5 n LEU 296 N -1.40 0.70 -4.74 1.04 4.77 -0.65 -4.98 117.00 111.75 1rm5 n LEU 296 Ca 0.07 -0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 1rm5 n LEU 296 Cb 0.19 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1rm5 n LEU 296 CO 0.16 0.16 1.20 0.41 -1.33 0.00 0.00 177.39 177.99 1rm5 n THR 297 N -1.73 1.16 -4.01 -5.08 -1.04 -1.15 -4.83 114.28 97.59 1rm5 n THR 297 Ca 0.02 -0.29 -0.08 0.00 -2.04 0.00 0.00 64.05 61.66 1rm5 n THR 297 Cb 0.40 -1.90 -0.11 0.00 -1.82 0.00 0.00 70.33 66.90 1rm5 n THR 297 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1rm5 s MET 298 N -0.73 0.41 -0.07 -2.82 -1.94 -0.90 -4.91 119.30 108.35 1rm5 s MET 298 Ca 0.63 -0.81 -0.01 0.00 -1.71 0.00 0.00 55.69 53.79 1rm5 s MET 298 Cb -0.51 0.14 0.03 0.00 2.01 0.00 0.00 34.83 36.50 1rm5 s MET 298 CO 0.51 -0.07 -0.01 0.08 -0.01 0.00 0.00 175.02 175.52 1rm5 s VAL 299 N -2.26 0.41 -0.10 -6.03 1.01 -1.26 -1.21 120.40 110.96 1rm5 s VAL 299 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1rm5 s VAL 299 Cb -0.04 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1rm5 s VAL 299 CO -0.04 0.25 -0.10 -0.04 0.00 0.00 0.00 175.10 175.17 1rm5 s MET 300 N 1.75 3.06 -1.40 2.72 1.00 -0.46 -4.64 119.30 121.32 1rm5 s MET 300 Ca 0.02 -0.63 -0.07 0.00 0.00 0.00 0.00 55.69 55.02 1rm5 s MET 300 Cb -0.13 -2.61 0.04 0.00 0.00 0.00 0.00 34.83 32.13 1rm5 s MET 300 CO -0.04 0.43 0.51 0.41 0.00 0.00 0.00 175.02 176.33 1rm5 n GLY 301 N 2.91 -0.50 4.61 -0.03 0.00 -1.26 -2.24 105.19 108.67 1rm5 n GLY 301 Ca -0.18 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.37 0.00 0.00 1.61 8.00 -1.26 -4.57 116.55 117.96 1rm5 n ASP 302 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1rm5 n ASP 302 Cb 0.58 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.14 0.76 -4.22 -2.24 5.68 -1.19 -2.00 116.55 113.47 1rm5 n ASP 303 Ca 0.00 -1.35 -0.38 0.00 -0.50 0.00 0.00 54.79 52.55 1rm5 n ASP 303 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 1rm5 n ASP 303 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1rm5 s MET 304 N -0.35 2.44 -0.11 0.11 1.75 -0.95 -1.45 119.30 120.74 1rm5 s MET 304 Ca 0.00 -1.50 -0.11 0.00 -1.25 0.00 0.00 55.69 52.83 1rm5 s MET 304 Cb 0.00 -3.64 -0.05 0.00 2.84 0.00 0.00 34.83 33.98 1rm5 s MET 304 CO 0.00 -0.92 0.25 0.08 -0.65 0.00 0.00 175.02 173.78 1rm5 s VAL 305 N 1.33 5.32 -0.13 10.11 1.01 -0.13 -1.36 120.40 136.55 1rm5 s VAL 305 Ca 0.03 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1rm5 s VAL 305 Cb -0.22 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1rm5 s VAL 305 CO 0.00 0.52 -0.18 -0.75 0.00 0.00 0.00 175.10 174.70 1rm5 s LYS 306 N -0.47 2.56 -0.00 2.72 2.20 -0.35 -1.48 119.74 124.92 1rm5 s LYS 306 Ca 0.17 -0.68 0.06 0.00 -0.36 0.00 0.00 55.97 55.16 1rm5 s LYS 306 Cb -0.13 -2.17 -0.02 0.00 -1.51 0.00 0.00 37.83 34.00 1rm5 s LYS 306 CO 0.06 -0.10 -0.19 0.08 -0.36 0.00 0.00 175.35 174.84 1rm5 s VAL 307 N 1.07 1.47 -0.13 4.02 1.01 -0.38 -2.12 120.40 125.33 1rm5 s VAL 307 Ca -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1rm5 s VAL 307 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1rm5 s VAL 307 CO -0.05 0.36 -0.20 -0.63 0.00 0.00 0.00 175.10 174.59 1rm5 s ILE 308 N -0.50 2.34 -0.00 2.22 -1.09 -1.26 -1.62 121.20 121.28 1rm5 s ILE 308 Ca 0.07 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.61 1rm5 s ILE 308 Cb -0.07 -1.94 -0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1rm5 s ILE 308 CO -0.00 0.54 -0.05 0.00 -1.23 0.00 0.00 174.94 174.20 1rm5 s ALA 309 N 0.64 0.39 0.20 9.38 0.00 -0.61 -1.81 121.76 129.94 1rm5 s ALA 309 Ca -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1rm5 s ALA 309 Cb -0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1rm5 s ALA 309 CO 0.02 0.09 0.37 -1.58 0.00 0.00 0.00 175.76 174.67 1rm5 s TRP 310 N -0.09 3.48 -0.28 0.00 0.52 -0.25 -0.77 118.94 121.56 1rm5 s TRP 310 Ca 0.02 0.27 -0.21 0.00 0.02 0.00 0.00 56.10 56.20 1rm5 s TRP 310 Cb -0.02 -1.80 0.09 0.00 -1.15 0.00 0.00 33.47 30.59 1rm5 s TRP 310 CO -0.00 0.40 0.79 1.52 0.02 0.00 0.00 176.95 179.68 1rm5 s TYR 311 N -1.87 -0.80 -0.74 -1.98 1.13 -0.64 -1.43 117.35 111.02 1rm5 s TYR 311 Ca 0.37 1.77 -0.23 0.00 -1.41 0.00 0.00 57.07 57.57 1rm5 s TYR 311 Cb -0.11 0.41 0.06 0.00 -1.10 0.00 0.00 41.96 41.22 1rm5 s TYR 311 CO 0.29 -0.39 1.11 0.34 -2.51 0.00 0.00 175.55 174.40 1rm5 s ASP 312 N 0.84 6.24 0.60 -0.18 -1.08 -1.26 -0.69 116.67 121.14 1rm5 s ASP 312 Ca -0.03 -0.99 0.30 0.00 -0.52 0.00 0.00 52.55 51.31 1rm5 s ASP 312 Cb -0.05 -2.47 1.74 0.00 -1.46 0.00 0.00 42.92 40.68 1rm5 s ASP 312 CO -0.08 -1.52 2.12 -0.55 0.52 0.00 0.00 175.17 175.66 1rm5 h ASN 313 N 9.64 0.00 0.00 -0.34 -1.07 -1.92 -0.78 115.58 121.11 1rm5 h ASN 313 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.17 1rm5 h ASN 313 Cb 1.05 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.30 1rm5 h ASN 313 CO 1.22 0.00 -0.53 -0.62 0.07 0.00 0.00 177.43 177.58 1rm5 n GLU 314 N -3.66 0.40 -0.05 4.14 1.02 -1.26 -4.18 120.64 117.05 1rm5 n GLU 314 Ca 0.01 0.42 -0.16 0.00 -0.02 0.00 0.00 57.16 57.41 1rm5 n GLU 314 Cb 0.29 -1.51 -0.06 0.00 -0.02 0.00 0.00 31.44 30.14 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 -0.86 1.07 -0.27 -0.32 2.91 -1.93 -2.81 115.95 113.73 1rm5 h TRP 315 Ca 0.00 -0.42 -0.01 0.00 1.13 0.00 0.00 58.89 59.58 1rm5 h TRP 315 Cb 0.53 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1rm5 h TRP 315 CO -0.23 1.25 0.12 0.78 -1.03 0.00 0.00 178.44 179.33 1rm5 h GLY 316 N 0.57 0.42 1.02 2.65 0.00 -1.29 -2.63 103.07 103.81 1rm5 h GLY 316 Ca -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1rm5 h GLY 316 CO 0.14 0.21 0.31 -1.82 0.00 0.00 0.00 176.54 175.38 1rm5 h TYR 317 N 0.29 1.06 -0.58 5.60 3.20 -1.64 -2.89 116.97 122.01 1rm5 h TYR 317 Ca 0.09 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1rm5 h TYR 317 Cb 0.15 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1rm5 h TYR 317 CO -0.01 0.81 0.31 0.77 -1.64 0.00 0.00 178.16 178.39 1rm5 h SER 318 N 1.01 0.72 -0.10 -2.11 0.02 -1.39 -1.32 113.55 110.38 1rm5 h SER 318 Ca 0.24 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1rm5 h SER 318 Cb 0.17 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1rm5 h SER 318 CO -0.02 0.59 -0.03 1.56 -1.14 0.00 0.00 176.83 177.79 1rm5 h GLN 319 N 0.81 0.33 0.00 3.45 1.08 -1.25 -1.22 115.11 118.31 1rm5 h GLN 319 Ca 0.21 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.26 1rm5 h GLN 319 Cb 0.04 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1rm5 h GLN 319 CO -0.03 0.38 -0.42 0.00 -0.95 0.00 0.00 178.83 177.81 1rm5 h ARG 320 N 0.32 0.00 -0.23 1.46 2.47 -1.21 -1.93 114.38 115.25 1rm5 h ARG 320 Ca 0.07 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.69 1rm5 h ARG 320 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1rm5 h ARG 320 CO 0.01 0.42 -0.24 0.28 0.56 0.00 0.00 179.97 180.99 1rm5 h VAL 321 N 0.00 1.32 -0.75 2.04 2.07 -0.62 -1.60 116.25 118.71 1rm5 h VAL 321 Ca -0.00 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 1rm5 h VAL 321 Cb 1.02 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1rm5 h VAL 321 CO 0.05 0.44 0.38 0.58 0.02 0.00 0.00 177.57 179.04 1rm5 h VAL 322 N 0.28 1.23 -0.54 2.57 2.07 -1.23 -1.54 116.25 119.08 1rm5 h VAL 322 Ca 0.04 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1rm5 h VAL 322 Cb 0.80 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1rm5 h VAL 322 CO 0.06 0.27 0.09 0.44 0.02 0.00 0.00 177.57 178.46 1rm5 h ASP 323 N 1.07 0.85 0.49 0.57 3.32 -1.17 -1.77 116.42 119.78 1rm5 h ASP 323 Ca 0.26 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.96 1rm5 h ASP 323 Cb 0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1rm5 h ASP 323 CO -0.04 0.89 -0.47 0.25 -1.72 0.00 0.00 179.24 178.16 1rm5 h LEU 324 N 0.78 0.00 -0.65 1.55 5.85 -0.99 -2.51 115.31 119.34 1rm5 h LEU 324 Ca 0.17 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 1rm5 h LEU 324 Cb 0.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1rm5 h LEU 324 CO 0.01 0.47 -0.61 0.00 -0.34 0.00 0.00 178.44 177.97 1rm5 h ALA 325 N 1.53 0.85 -0.12 1.25 0.00 -1.02 -2.61 119.26 119.13 1rm5 h ALA 325 Ca -0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 1rm5 h ALA 325 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1rm5 h ALA 325 CO 0.06 0.73 -0.46 -0.44 0.00 0.00 0.00 179.25 179.15 1rm5 h ASP 326 N 0.17 0.32 -0.53 0.00 5.19 -1.00 -2.38 116.42 118.19 1rm5 h ASP 326 Ca -0.01 -0.15 -0.12 0.00 -0.62 0.00 0.00 57.03 56.14 1rm5 h ASP 326 Cb 1.11 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.52 1rm5 h ASP 326 CO 0.09 0.73 -0.14 0.40 -3.12 0.00 0.00 179.24 177.21 1rm5 h ILE 327 N 0.24 1.27 -0.80 0.35 2.04 -1.24 -1.16 117.51 118.21 1rm5 h ILE 327 Ca 0.02 -1.30 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1rm5 h ILE 327 Cb 0.90 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 1rm5 h ILE 327 CO 0.07 0.46 0.35 0.58 0.00 0.00 0.00 178.15 179.61 1rm5 h VAL 328 N 0.91 1.26 -0.52 1.67 2.07 -1.28 -1.31 116.25 119.05 1rm5 h VAL 328 Ca 0.13 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 1rm5 h VAL 328 Cb 0.71 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1rm5 h VAL 328 CO 0.05 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1rm5 h ALA 329 N 1.18 0.70 0.00 1.67 0.00 -1.16 -2.47 119.26 119.19 1rm5 h ALA 329 Ca 0.27 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rm5 h ALA 329 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rm5 h ALA 329 CO -0.03 0.51 0.00 0.09 0.00 0.00 0.00 179.25 179.83 1rm5 n ASN 330 N -4.30 0.02 -0.68 0.00 3.02 -0.46 -3.03 115.26 109.82 1rm5 n ASN 330 Ca 0.01 0.50 0.08 0.00 -0.03 0.00 0.00 54.58 55.14 1rm5 n ASN 330 Cb 0.32 -0.51 0.10 0.00 -0.61 0.00 0.00 39.78 39.09 1rm5 n ASN 330 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1rm5 n LYS 331 N -1.52 1.59 -1.92 3.52 4.76 -0.52 -4.98 118.16 119.10 1rm5 n LYS 331 Ca 0.06 -1.64 -0.42 0.00 -2.87 0.00 0.00 58.31 53.43 1rm5 n LYS 331 Cb 0.28 -1.31 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 1rm5 n LYS 331 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1rm5 s TRP 332 N -1.18 1.79 -0.32 2.13 0.52 -0.96 -4.55 118.94 116.36 1rm5 s TRP 332 Ca 0.22 0.07 0.17 0.00 0.02 0.00 0.00 56.10 56.57 1rm5 s TRP 332 Cb 0.14 -4.00 0.47 0.00 -1.15 0.00 0.00 33.47 28.92 1rm5 s TRP 332 CO 0.20 -4.21 1.04 0.94 0.02 0.00 0.00 176.95 174.93 1rm5 n GLN 333 N 7.33 1.85 0.00 4.98 7.27 -1.26 -5.09 117.38 132.45 1rm5 n GLN 333 Ca 0.18 -3.58 0.00 0.00 0.07 0.00 0.00 57.00 53.67 1rm5 n GLN 333 Cb 0.43 -1.58 0.00 0.00 2.41 0.00 0.00 30.24 31.50 1rm5 n GLN 333 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13