#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rm3 s LEU 1 N 0.00 -0.33 -0.29 3.14 2.96 -1.10 -4.98 118.68 118.08 1rm3 s LEU 1 Ca 0.00 0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.94 1rm3 s LEU 1 Cb 0.00 0.73 -0.02 0.00 0.50 0.00 0.00 46.19 47.40 1rm3 s LEU 1 CO 0.00 -0.28 1.76 -0.54 -1.32 0.00 0.00 176.35 175.98 1rm3 s LYS 2 N 2.43 3.47 -0.05 1.98 1.02 -1.26 -0.94 119.74 126.39 1rm3 s LYS 2 Ca 0.05 1.53 0.01 0.00 0.02 0.00 0.00 55.97 57.58 1rm3 s LYS 2 Cb -0.14 -4.16 -0.03 0.00 -0.52 0.00 0.00 37.83 32.98 1rm3 s LYS 2 CO -0.11 -1.69 -0.06 0.08 -0.92 0.00 0.00 175.35 172.65 1rm3 s VAL 3 N 6.41 3.74 -0.08 3.17 1.01 -0.67 -1.42 120.40 132.55 1rm3 s VAL 3 Ca 0.78 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1rm3 s VAL 3 Cb -0.24 -2.55 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1rm3 s VAL 3 CO 0.33 0.55 -0.23 0.00 0.00 0.00 0.00 175.10 175.74 1rm3 s ALA 4 N -0.86 2.10 -0.44 5.51 0.00 0.36 -2.20 121.76 126.23 1rm3 s ALA 4 Ca 0.14 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 1rm3 s ALA 4 Cb -0.11 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.30 1rm3 s ALA 4 CO 0.03 0.32 0.39 0.42 0.00 0.00 0.00 175.76 176.92 1rm3 s ILE 5 N 0.21 5.17 -0.52 0.00 1.01 -0.55 0.67 121.20 127.20 1rm3 s ILE 5 Ca -0.14 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 1rm3 s ILE 5 Cb -0.17 -4.05 0.09 0.00 0.01 0.00 0.00 42.46 38.34 1rm3 s ILE 5 CO 0.07 -0.47 0.51 0.21 0.00 0.00 0.00 174.94 175.27 1rm3 s ASN 6 N 2.09 6.18 0.00 3.58 3.04 -0.56 -0.60 114.94 128.67 1rm3 s ASN 6 Ca 0.07 -1.40 0.00 0.00 0.04 0.00 0.00 52.86 51.58 1rm3 s ASN 6 Cb -0.20 -2.23 0.00 0.00 -1.54 0.00 0.00 41.25 37.28 1rm3 s ASN 6 CO 0.10 -0.82 0.00 0.61 -3.04 0.00 0.00 177.10 173.95 1rm3 n GLY 7 N 5.22 0.45 2.46 1.21 0.00 0.38 -1.41 105.19 113.50 1rm3 n GLY 7 Ca -0.11 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1rm3 n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rm3 n PHE 8 N 0.40 2.08 -1.68 1.61 7.35 -1.24 -3.99 117.46 121.99 1rm3 n PHE 8 Ca 0.00 -2.41 0.00 0.00 -0.76 0.00 0.00 57.45 54.28 1rm3 n PHE 8 Cb 0.00 -1.65 0.00 0.00 0.35 0.00 0.00 39.48 38.18 1rm3 n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rm3 n GLY 9 N 1.45 1.36 0.32 7.13 0.00 -1.26 -4.54 105.19 109.63 1rm3 n GLY 9 Ca 0.57 -1.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.59 1rm3 n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rm3 h ARG 10 N 0.00 -0.11 -0.30 1.61 2.47 -1.93 0.28 114.38 116.40 1rm3 h ARG 10 Ca 0.00 0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.65 1rm3 h ARG 10 Cb 0.00 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1rm3 h ARG 10 CO 0.00 -0.07 -0.10 0.82 0.56 0.00 0.00 179.97 181.17 1rm3 h ILE 11 N -0.12 1.29 -0.54 2.04 1.08 -1.91 -1.07 117.51 118.29 1rm3 h ILE 11 Ca 0.26 -1.17 0.04 0.00 -0.39 0.00 0.00 64.86 63.60 1rm3 h ILE 11 Cb 0.54 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 1rm3 h ILE 11 CO -0.68 0.37 0.30 1.23 -0.69 0.00 0.00 178.15 178.68 1rm3 h GLY 12 N 0.36 0.77 0.85 5.37 0.00 -1.42 0.23 103.07 109.23 1rm3 h GLY 12 Ca 0.07 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1rm3 h GLY 12 CO 0.04 0.16 -0.24 3.21 0.00 0.00 0.00 176.54 179.70 1rm3 h ARG 13 N 0.58 0.52 -0.82 4.80 3.08 -0.47 -2.42 114.38 119.65 1rm3 h ARG 13 Ca 0.23 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1rm3 h ARG 13 Cb 0.09 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1rm3 h ARG 13 CO -0.13 0.88 0.54 -0.91 -1.07 0.00 0.00 179.97 179.28 1rm3 h ASN 14 N 0.20 0.95 -0.73 7.04 4.21 -0.97 -1.90 115.58 124.38 1rm3 h ASN 14 Ca 0.03 -0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.54 1rm3 h ASN 14 Cb 0.80 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 37.71 1rm3 h ASN 14 CO 0.06 0.69 0.45 0.15 -1.29 0.00 0.00 177.43 177.49 1rm3 h PHE 15 N 1.12 0.84 -0.41 1.19 3.57 -0.46 0.16 116.94 122.95 1rm3 h PHE 15 Ca 0.30 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 1rm3 h PHE 15 Cb -0.12 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 1rm3 h PHE 15 CO -0.01 0.47 0.10 1.25 -2.23 0.00 0.00 178.31 177.89 1rm3 h LEU 16 N 0.88 0.63 -1.03 0.59 5.85 -0.92 -0.02 115.31 121.29 1rm3 h LEU 16 Ca 0.30 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1rm3 h LEU 16 Cb 0.04 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1rm3 h LEU 16 CO -0.12 0.70 -0.48 0.03 -0.34 0.00 0.00 178.44 178.23 1rm3 h ARG 17 N 0.53 0.01 0.07 1.25 3.08 -1.02 -0.06 114.38 118.24 1rm3 h ARG 17 Ca 0.13 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1rm3 h ARG 17 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1rm3 h ARG 17 CO 0.00 0.49 -0.04 0.00 -1.07 0.00 0.00 179.97 179.36 1rm3 h TRP 18 N -0.55 0.53 -0.94 0.00 7.01 -0.87 -1.55 115.95 119.58 1rm3 h TRP 18 Ca -0.01 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.14 1rm3 h TRP 18 Cb 0.47 -0.14 -0.08 0.00 -2.10 0.00 0.00 29.16 27.31 1rm3 h TRP 18 CO 0.07 0.19 0.60 1.25 -2.79 0.00 0.00 178.44 177.77 1rm3 h HIS 18 N 0.53 0.99 0.00 2.65 2.76 -0.96 -1.52 115.15 119.60 1rm3 h HIS 18 Ca 0.31 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1rm3 h HIS 18 Cb 0.31 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1rm3 h HIS 18 CO -0.12 0.40 0.00 0.41 -1.30 0.00 0.00 177.93 177.31 1rm3 n GLY 19 N -1.39 -1.54 3.77 5.26 0.00 -0.60 -4.85 105.19 105.85 1rm3 n GLY 19 Ca 0.18 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1rm3 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rm3 s ARG 20 N -3.12 4.18 -0.03 1.61 1.81 -0.58 -5.02 118.95 117.81 1rm3 s ARG 20 Ca 0.10 1.75 -0.16 0.00 -1.72 0.00 0.00 55.73 55.70 1rm3 s ARG 20 Cb 0.13 -2.73 -0.05 0.00 -0.45 0.00 0.00 34.95 31.84 1rm3 s ARG 20 CO 0.52 -0.18 0.43 0.21 -0.68 0.00 0.00 175.30 175.60 1rm3 s LYS 21 N -2.20 4.06 -1.12 3.54 2.20 -1.26 -4.38 119.74 120.57 1rm3 s LYS 21 Ca 0.55 0.44 -0.23 0.00 -0.36 0.00 0.00 55.97 56.37 1rm3 s LYS 21 Cb -0.29 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1rm3 s LYS 21 CO 0.36 0.54 0.75 -0.25 -0.36 0.00 0.00 175.35 176.39 1rm3 n ASP 22 N 2.32 -5.04 -4.74 1.43 8.00 -1.26 -4.89 116.55 112.37 1rm3 n ASP 22 Ca -0.12 -1.07 -0.41 0.00 0.71 0.00 0.00 54.79 53.90 1rm3 n ASP 22 Cb 0.52 -2.79 -0.04 0.00 -0.02 0.00 0.00 41.12 38.78 1rm3 n ASP 22 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1rm3 s SER 23 N -3.43 7.38 0.01 -2.24 0.15 -1.26 -4.92 113.70 109.39 1rm3 s SER 23 Ca 0.43 2.01 0.27 0.00 0.70 0.00 0.00 55.95 59.37 1rm3 s SER 23 Cb -0.18 -2.60 1.16 0.00 -1.71 0.00 0.00 66.02 62.68 1rm3 s SER 23 CO 0.89 -0.12 1.87 -2.65 1.20 0.00 0.00 173.24 174.44 1rm3 n PRO 24 N 2.25 0.01 -3.68 5.44 -0.02 -1.26 -4.63 135.00 133.11 1rm3 n PRO 24 Ca 0.02 0.04 -0.30 0.00 -2.02 0.00 0.00 63.50 61.23 1rm3 n PRO 24 Cb 0.47 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 1rm3 n PRO 24 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rm3 s LEU 25 N -3.07 4.25 -0.33 2.45 1.43 -1.26 -2.71 118.68 119.44 1rm3 s LEU 25 Ca 0.13 0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1rm3 s LEU 25 Cb 0.18 -3.26 0.12 0.00 0.03 0.00 0.00 46.19 43.26 1rm3 s LEU 25 CO 0.50 0.02 0.16 -0.62 0.23 0.00 0.00 176.35 176.65 1rm3 s ASP 26 N -2.68 3.42 -0.40 2.29 3.68 -0.11 -4.46 116.67 118.41 1rm3 s ASP 26 Ca 0.40 -1.76 -0.28 0.00 2.13 0.00 0.00 52.55 53.04 1rm3 s ASP 26 Cb -0.12 -0.50 -0.01 0.00 -1.45 0.00 0.00 42.92 40.85 1rm3 s ASP 26 CO 0.26 -0.38 1.62 -0.69 0.13 0.00 0.00 175.17 176.12 1rm3 s VAL 27 N 1.53 3.66 -0.14 1.11 1.01 -1.26 -1.67 120.40 124.64 1rm3 s VAL 27 Ca 0.13 0.65 0.15 0.00 0.00 0.00 0.00 61.98 62.91 1rm3 s VAL 27 Cb -0.19 -3.94 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 1rm3 s VAL 27 CO -0.19 -0.63 0.12 1.33 0.00 0.00 0.00 175.10 175.72 1rm3 n VAL 28 N 7.24 0.94 -4.06 2.92 0.24 -0.93 -4.87 118.33 119.80 1rm3 n VAL 28 Ca 0.20 -0.65 -0.09 0.00 -2.04 0.00 0.00 64.34 61.76 1rm3 n VAL 28 Cb 0.48 -0.45 -0.10 0.00 -1.47 0.00 0.00 33.84 32.30 1rm3 n VAL 28 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1rm3 s VAL 29 N -2.55 0.28 -0.00 3.34 0.11 -1.23 -1.16 120.40 119.19 1rm3 s VAL 29 Ca -0.08 -1.47 0.01 0.00 -2.93 0.00 0.00 61.98 57.51 1rm3 s VAL 29 Cb 0.06 -1.05 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1rm3 s VAL 29 CO 0.69 -0.76 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.05 1rm3 s ILE 30 N -2.84 0.14 -0.11 7.04 1.01 -0.51 -1.48 121.20 124.45 1rm3 s ILE 30 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.61 1rm3 s ILE 30 Cb 0.00 -0.14 0.01 0.00 0.01 0.00 0.00 42.46 42.34 1rm3 s ILE 30 CO -0.05 0.05 -0.17 0.21 0.00 0.00 0.00 174.94 174.98 1rm3 s ASN 31 N 0.10 2.53 -0.01 3.58 2.47 0.23 -0.69 114.94 123.16 1rm3 s ASN 31 Ca -0.01 -0.45 -0.17 0.00 0.42 0.00 0.00 52.86 52.65 1rm3 s ASN 31 Cb -0.02 -1.15 0.03 0.00 -1.45 0.00 0.00 41.25 38.66 1rm3 s ASN 31 CO -0.00 0.05 0.37 1.51 -3.72 0.00 0.00 177.10 175.30 1rm3 s ASP 32 N 0.84 -0.25 0.34 -4.21 -4.77 -1.05 -0.47 116.67 107.10 1rm3 s ASP 32 Ca -0.09 0.14 0.26 0.00 -3.30 0.00 0.00 52.55 49.55 1rm3 s ASP 32 Cb -0.15 0.35 1.16 0.00 -1.09 0.00 0.00 42.92 43.19 1rm3 s ASP 32 CO 0.00 -0.50 1.78 0.00 0.70 0.00 0.00 175.17 177.15 1rm3 h ALA 33 N 3.62 1.00 -2.10 2.11 0.00 -1.95 -3.40 119.26 118.54 1rm3 h ALA 33 Ca -0.30 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.16 1rm3 h ALA 33 Cb 1.18 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.02 1rm3 h ALA 33 CO 0.41 0.00 0.08 0.20 0.00 0.00 0.00 179.25 179.94 1rm3 s GLY 34 N -3.67 1.71 0.66 0.00 0.00 -1.26 -5.05 107.32 99.70 1rm3 s GLY 34 Ca 0.02 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 1rm3 s GLY 34 CO 0.37 -0.73 0.71 0.61 0.00 0.00 0.00 173.10 174.06 1rm3 n GLY 36 N -2.55 -2.05 0.18 0.20 0.00 -1.26 -4.87 105.19 94.85 1rm3 n GLY 36 Ca 0.06 -1.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 1rm3 n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1rm3 h VAL 37 N -1.87 1.29 0.00 1.61 2.07 -1.95 -2.54 116.25 114.86 1rm3 h VAL 37 Ca -0.25 -2.36 -0.02 0.00 0.82 0.00 0.00 66.70 64.89 1rm3 h VAL 37 Cb 0.72 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1rm3 h VAL 37 CO 0.17 0.72 -0.09 0.11 0.02 0.00 0.00 177.57 178.50 1rm3 h LYS 38 N 0.29 0.00 0.19 1.57 1.57 -1.94 -2.32 116.57 115.94 1rm3 h LYS 38 Ca -0.16 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.36 1rm3 h LYS 38 Cb 1.81 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.15 1rm3 h LYS 38 CO 0.22 0.09 -1.14 0.37 -0.57 0.00 0.00 179.45 178.42 1rm3 h GLN 39 N 0.00 0.43 -0.26 3.15 4.15 -1.91 -2.60 115.11 118.06 1rm3 h GLN 39 Ca -0.00 -0.72 0.00 0.00 0.77 0.00 0.00 58.65 58.70 1rm3 h GLN 39 Cb 0.49 0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1rm3 h GLN 39 CO 0.01 1.34 0.17 0.00 -1.93 0.00 0.00 178.83 178.42 1rm3 h ALA 40 N 0.12 0.33 -0.48 3.38 0.00 -1.13 0.04 119.26 121.52 1rm3 h ALA 40 Ca -0.20 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1rm3 h ALA 40 Cb 1.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 1rm3 h ALA 40 CO 0.21 -0.21 -0.10 0.66 0.00 0.00 0.00 179.25 179.82 1rm3 h SER 41 N 0.35 0.91 -0.01 0.00 4.64 -1.54 -1.75 113.55 116.16 1rm3 h SER 41 Ca 0.10 -0.36 -0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1rm3 h SER 41 Cb -0.03 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 1rm3 h SER 41 CO -0.03 1.06 0.00 -0.74 -0.87 0.00 0.00 176.83 176.25 1rm3 h HIS 42 N 0.76 0.02 0.00 4.77 6.17 -1.26 -1.67 115.15 123.94 1rm3 h HIS 42 Ca 0.12 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1rm3 h HIS 42 Cb 0.65 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.57 1rm3 h HIS 42 CO 0.05 0.25 0.00 1.28 0.71 0.00 0.00 177.93 180.22 1rm3 n LEU 43 N -4.97 0.16 0.02 0.26 4.77 -0.02 -1.29 117.00 115.93 1rm3 n LEU 43 Ca -0.08 0.53 -0.18 0.00 -0.03 0.00 0.00 56.01 56.25 1rm3 n LEU 43 Cb 0.14 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 40.60 1rm3 n LEU 43 CO 0.33 -0.19 -0.65 0.25 -1.33 0.00 0.00 177.39 175.80 1rm3 h LEU 44 N 0.00 0.34 0.04 2.23 5.85 -1.16 -3.39 115.31 119.23 1rm3 h LEU 44 Ca 0.00 -0.68 -0.21 0.00 0.84 0.00 0.00 57.88 57.84 1rm3 h LEU 44 Cb 0.40 -0.11 0.02 0.00 0.37 0.00 0.00 40.66 41.34 1rm3 h LEU 44 CO 0.00 1.60 -0.83 0.50 -0.34 0.00 0.00 178.44 179.37 1rm3 h LYS 45 N 0.06 0.49 -5.56 1.25 3.11 -1.13 -3.41 116.57 111.38 1rm3 h LYS 45 Ca -0.36 -0.58 -0.65 0.00 -2.81 0.00 0.00 60.65 56.25 1rm3 h LYS 45 Cb 2.03 0.18 -0.19 0.00 -1.00 0.00 0.00 32.23 33.25 1rm3 h LYS 45 CO 0.11 1.22 -0.65 0.71 -2.81 0.00 0.00 179.45 178.02 1rm3 s TYR 46 N -3.09 3.05 -0.11 1.91 2.02 -0.41 0.12 117.35 120.84 1rm3 s TYR 46 Ca -0.12 -0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.41 1rm3 s TYR 46 Cb 0.04 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.76 1rm3 s TYR 46 CO 0.86 0.14 0.24 0.34 -1.57 0.00 0.00 175.55 175.56 1rm3 s ASP 47 N -0.07 0.04 0.19 2.29 -1.08 -1.24 -4.46 116.67 112.33 1rm3 s ASP 47 Ca 0.02 0.52 0.18 0.00 -0.52 0.00 0.00 52.55 52.75 1rm3 s ASP 47 Cb -0.13 0.48 0.83 0.00 -1.46 0.00 0.00 42.92 42.64 1rm3 s ASP 47 CO 0.02 -0.20 1.55 -1.20 0.52 0.00 0.00 175.17 175.87 1rm3 n SER 48 N 4.70 0.42 -0.05 -0.34 7.64 -1.26 -1.13 113.62 123.59 1rm3 n SER 48 Ca -0.17 0.64 -0.10 0.00 1.01 0.00 0.00 58.87 60.24 1rm3 n SER 48 Cb 0.51 -0.71 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 1rm3 n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1rm3 n ILE 49 N -2.00 0.58 0.72 0.44 5.41 -1.26 -4.69 119.36 118.56 1rm3 n ILE 49 Ca 0.01 -0.17 0.12 0.00 1.00 0.00 0.00 62.75 63.71 1rm3 n ILE 49 Cb 0.14 -1.39 0.27 0.00 -0.71 0.00 0.00 39.64 37.95 1rm3 n ILE 49 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1rm3 n LEU 50 N -3.26 0.60 0.00 1.39 4.77 -1.25 -5.05 117.00 114.21 1rm3 n LEU 50 Ca -0.20 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1rm3 n LEU 50 Cb 0.66 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1rm3 n LEU 50 CO 0.04 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1rm3 n GLY 51 N 1.38 -1.54 3.69 -0.72 0.00 -0.28 -4.86 105.19 102.86 1rm3 n GLY 51 Ca 0.04 -1.54 -0.44 0.00 0.00 0.00 0.00 46.02 44.08 1rm3 n GLY 51 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rm3 n THR 52 N -1.70 0.24 -2.09 2.61 -1.04 -1.26 -3.74 114.28 107.30 1rm3 n THR 52 Ca 0.00 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.53 1rm3 n THR 52 Cb 0.00 -1.70 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 1rm3 n THR 52 CO 0.00 0.00 0.00 0.12 -0.64 0.00 0.00 175.07 174.55 1rm3 s PHE 53 N 0.75 2.71 -1.27 -1.42 5.36 0.32 -4.91 117.98 119.52 1rm3 s PHE 53 Ca 0.75 0.62 -0.16 0.00 -0.96 0.00 0.00 56.93 57.18 1rm3 s PHE 53 Cb -0.61 -3.79 0.11 0.00 -0.34 0.00 0.00 43.02 38.39 1rm3 s PHE 53 CO 0.39 -3.04 1.64 -3.47 -1.46 0.00 0.00 175.22 169.28 1rm3 n ASP 54 N 5.33 5.03 -3.64 6.13 2.03 -1.26 -4.81 116.55 125.35 1rm3 n ASP 54 Ca 0.14 -2.95 -0.02 0.00 0.52 0.00 0.00 54.79 52.49 1rm3 n ASP 54 Cb 0.42 -1.67 -0.04 0.00 -0.72 0.00 0.00 41.12 39.11 1rm3 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1rm3 s ALA 55 N 3.01 -2.12 -0.44 -1.67 0.00 -1.26 -5.10 121.76 114.18 1rm3 s ALA 55 Ca 0.49 1.89 -0.28 0.00 0.00 0.00 0.00 51.96 54.06 1rm3 s ALA 55 Cb 0.02 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.59 1rm3 s ALA 55 CO 0.04 -0.23 1.60 0.34 0.00 0.00 0.00 175.76 177.51 1rm3 s ASP 56 N -0.99 6.00 -0.18 0.00 2.15 -1.26 -4.84 116.67 117.55 1rm3 s ASP 56 Ca 0.09 0.82 -0.00 0.00 0.43 0.00 0.00 52.55 53.89 1rm3 s ASP 56 Cb -0.01 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.08 1rm3 s ASP 56 CO -0.08 -1.71 -0.16 -0.69 -0.17 0.00 0.00 175.17 172.36 1rm3 s VAL 57 N 6.54 2.42 0.22 1.11 1.01 -1.26 -0.51 120.40 129.94 1rm3 s VAL 57 Ca 0.67 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1rm3 s VAL 57 Cb -0.16 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1rm3 s VAL 57 CO 0.30 0.51 0.39 -1.59 0.00 0.00 0.00 175.10 174.71 1rm3 s LYS 58 N 1.23 1.40 0.36 2.72 -2.85 -0.82 -4.98 119.74 116.80 1rm3 s LYS 58 Ca 0.03 -1.27 -0.25 0.00 -1.00 0.00 0.00 55.97 53.47 1rm3 s LYS 58 Cb -0.14 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 35.96 1rm3 s LYS 58 CO -0.08 -0.56 1.01 0.99 0.10 0.00 0.00 175.35 176.81 1rm3 s THR 59 N -4.02 3.93 -0.47 3.79 2.01 -1.26 -0.38 115.64 119.23 1rm3 s THR 59 Ca 0.23 1.54 0.05 0.00 0.31 0.00 0.00 61.69 63.82 1rm3 s THR 59 Cb 0.01 -3.83 0.41 0.00 0.01 0.00 0.00 72.50 69.10 1rm3 s THR 59 CO 0.07 0.07 1.12 0.00 -0.69 0.00 0.00 174.62 175.19 1rm3 n ALA 60 N 0.26 5.07 0.00 7.40 0.00 0.26 -4.73 120.51 128.76 1rm3 n ALA 60 Ca 0.03 -4.36 0.00 0.00 0.00 0.00 0.00 53.44 49.11 1rm3 n ALA 60 Cb 0.50 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1rm3 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rm3 n GLY 60 N -0.46 0.96 0.00 0.00 0.00 -1.26 -3.84 105.19 100.60 1rm3 n GLY 60 Ca 0.39 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1rm3 n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rm3 n ASP 61 N 0.42 0.89 0.00 1.61 8.00 -1.26 -4.75 116.55 121.47 1rm3 n ASP 61 Ca 0.00 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.09 1rm3 n ASP 61 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1rm3 n ASP 61 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1rm3 n SER 62 N -0.21 0.89 -3.65 -2.24 3.41 -1.26 -4.91 113.62 105.65 1rm3 n SER 62 Ca 0.00 -1.43 -0.01 0.00 -0.26 0.00 0.00 58.87 57.16 1rm3 n SER 62 Cb 0.34 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 1rm3 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rm3 s ALA 63 N -0.43 -2.01 0.23 7.33 0.00 -1.25 -0.85 121.76 124.78 1rm3 s ALA 63 Ca 0.00 0.68 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1rm3 s ALA 63 Cb 0.00 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 1rm3 s ALA 63 CO 0.00 -0.96 -0.04 0.96 0.00 0.00 0.00 175.76 175.72 1rm3 s ILE 64 N -2.73 1.28 -0.07 0.00 -4.36 -0.43 -0.58 121.20 114.32 1rm3 s ILE 64 Ca 0.12 -2.08 0.05 0.00 -0.26 0.00 0.00 60.65 58.48 1rm3 s ILE 64 Cb 0.02 -2.28 -0.00 0.00 1.25 0.00 0.00 42.46 41.45 1rm3 s ILE 64 CO -0.03 -0.40 -0.21 -0.55 0.24 0.00 0.00 174.94 173.99 1rm3 s SER 65 N -3.33 2.69 -0.20 4.36 0.15 0.48 -1.10 113.70 116.76 1rm3 s SER 65 Ca 0.27 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.46 1rm3 s SER 65 Cb 0.04 -0.94 0.05 0.00 -1.71 0.00 0.00 66.02 63.46 1rm3 s SER 65 CO 0.08 0.17 -0.05 -0.69 1.20 0.00 0.00 173.24 173.95 1rm3 s VAL 66 N 0.13 1.31 -1.38 4.45 1.01 0.67 -1.94 120.40 124.66 1rm3 s VAL 66 Ca -0.09 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1rm3 s VAL 66 Cb -0.15 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.77 1rm3 s VAL 66 CO 0.05 0.00 0.59 0.47 0.00 0.00 0.00 175.10 176.21 1rm3 n ASP 67 N 4.77 -3.86 0.00 3.32 8.00 0.33 -1.27 116.55 127.85 1rm3 n ASP 67 Ca -0.12 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.87 1rm3 n ASP 67 Cb 0.46 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.38 1rm3 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rm3 n GLY 68 N -1.27 2.87 3.68 0.44 0.00 -1.26 -5.00 105.19 104.64 1rm3 n GLY 68 Ca 0.00 -0.73 -0.43 0.00 0.00 0.00 0.00 46.02 44.86 1rm3 n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rm3 n LYS 69 N 0.00 1.99 -4.00 1.61 4.81 -0.39 -4.93 118.16 117.25 1rm3 n LYS 69 Ca 0.00 0.70 -0.33 0.00 -0.87 0.00 0.00 58.31 57.81 1rm3 n LYS 69 Cb 0.00 -2.25 -0.06 0.00 0.02 0.00 0.00 35.03 32.75 1rm3 n LYS 69 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1rm3 s VAL 70 N -1.03 5.06 -0.06 3.15 1.01 -1.26 -0.24 120.40 127.04 1rm3 s VAL 70 Ca 0.57 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.20 1rm3 s VAL 70 Cb -0.60 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1rm3 s VAL 70 CO 0.61 0.31 0.05 -0.63 0.00 0.00 0.00 175.10 175.44 1rm3 s ILE 71 N -1.28 0.03 0.65 2.22 1.01 -0.26 -4.92 121.20 118.66 1rm3 s ILE 71 Ca 0.26 0.30 -0.18 0.00 0.00 0.00 0.00 60.65 61.04 1rm3 s ILE 71 Cb -0.12 -0.29 -0.01 0.00 0.01 0.00 0.00 42.46 42.05 1rm3 s ILE 71 CO 0.17 0.17 1.18 0.29 0.00 0.00 0.00 174.94 176.75 1rm3 n LYS 72 N 5.25 0.96 -3.76 2.79 4.76 -0.30 -1.31 118.16 126.55 1rm3 n LYS 72 Ca -0.04 0.38 -0.25 0.00 -2.87 0.00 0.00 58.31 55.53 1rm3 n LYS 72 Cb 0.50 -2.41 -0.17 0.00 -1.84 0.00 0.00 35.03 31.11 1rm3 n LYS 72 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1rm3 s VAL 73 N -1.49 0.46 0.49 -0.18 1.01 -0.03 -1.42 120.40 119.24 1rm3 s VAL 73 Ca 0.80 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 62.66 1rm3 s VAL 73 Cb -0.38 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1rm3 s VAL 73 CO 0.43 0.08 0.21 0.68 0.00 0.00 0.00 175.10 176.49 1rm3 s VAL 74 N 1.92 1.75 -0.25 2.92 -7.23 0.13 -4.52 120.40 115.13 1rm3 s VAL 74 Ca 0.03 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1rm3 s VAL 74 Cb -0.14 -2.47 0.14 0.00 0.56 0.00 0.00 36.38 34.47 1rm3 s VAL 74 CO -0.07 0.00 0.40 -0.55 -0.31 0.00 0.00 175.10 174.58 1rm3 s SER 75 N -4.03 0.08 -0.30 4.85 0.15 -1.26 -2.52 113.70 110.67 1rm3 s SER 75 Ca 0.29 0.27 -0.02 0.00 0.70 0.00 0.00 55.95 57.18 1rm3 s SER 75 Cb 0.01 1.22 0.19 0.00 -1.71 0.00 0.00 66.02 65.73 1rm3 s SER 75 CO 0.17 -0.30 0.63 -0.62 1.20 0.00 0.00 173.24 174.32 1rm3 s ASP 76 N 2.58 -1.31 0.61 5.45 3.68 -1.26 -5.01 116.67 121.40 1rm3 s ASP 76 Ca 0.13 0.89 0.30 0.00 2.13 0.00 0.00 52.55 56.00 1rm3 s ASP 76 Cb -0.15 2.13 1.71 0.00 -1.45 0.00 0.00 42.92 45.15 1rm3 s ASP 76 CO -0.17 -0.25 2.08 0.03 0.13 0.00 0.00 175.17 177.00 1rm3 h ARG 77 N 8.00 0.00 -4.85 4.34 2.47 -1.99 -3.38 114.38 118.97 1rm3 h ARG 77 Ca -0.22 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.83 1rm3 h ARG 77 Cb 1.16 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.23 1rm3 h ARG 77 CO 0.23 0.00 -0.62 1.21 0.56 0.00 0.00 179.97 181.35 1rm3 s ASN 78 N -5.49 5.13 0.41 7.04 3.84 -1.26 -5.00 114.94 119.63 1rm3 s ASN 78 Ca -0.04 -0.54 0.11 0.00 0.21 0.00 0.00 52.86 52.60 1rm3 s ASN 78 Cb 0.14 -1.90 0.94 0.00 -0.55 0.00 0.00 41.25 39.88 1rm3 s ASN 78 CO 0.50 -0.14 1.98 -0.65 -2.79 0.00 0.00 177.10 176.00 1rm3 h PRO 79 N 8.24 0.50 -0.88 0.43 0.11 -1.90 -2.77 132.00 135.72 1rm3 h PRO 79 Ca -0.34 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.85 1rm3 h PRO 79 Cb 1.14 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.08 1rm3 h PRO 79 CO 0.60 0.33 0.57 -0.39 -0.21 0.00 0.00 178.00 178.90 1rm3 h VAL 80 N 0.51 0.94 -0.20 3.15 -1.51 -1.95 -1.65 116.25 115.55 1rm3 h VAL 80 Ca 0.27 -0.29 -0.11 0.00 -1.23 0.00 0.00 66.70 65.34 1rm3 h VAL 80 Cb 0.39 0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 29.52 1rm3 h VAL 80 CO -0.08 0.15 0.14 0.59 -1.23 0.00 0.00 177.57 177.15 1rm3 n ASN 81 N -4.54 3.83 -4.72 4.19 5.03 -1.05 -4.30 115.26 113.71 1rm3 n ASN 81 Ca 0.16 -2.41 -0.34 0.00 0.87 0.00 0.00 54.58 52.86 1rm3 n ASN 81 Cb 0.34 -0.70 -0.08 0.00 -1.02 0.00 0.00 39.78 38.31 1rm3 n ASN 81 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rm3 s LEU 82 N -0.68 3.68 0.00 3.41 1.43 -0.62 -5.00 118.68 120.89 1rm3 s LEU 82 Ca 0.12 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1rm3 s LEU 82 Cb 0.10 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1rm3 s LEU 82 CO 0.02 0.32 1.20 -0.81 0.23 0.00 0.00 176.35 177.30 1rm3 n PRO 83 N 1.61 0.77 0.06 1.29 -0.04 -1.26 -4.41 135.00 133.02 1rm3 n PRO 83 Ca -0.16 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.18 1rm3 n PRO 83 Cb 0.53 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.81 1rm3 n PRO 83 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1rm3 h TRP 84 N 1.14 -0.04 -0.49 0.54 -0.00 -1.90 -1.58 115.95 113.62 1rm3 h TRP 84 Ca 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 1rm3 h TRP 84 Cb 0.77 0.01 -0.02 0.00 -0.00 0.00 0.00 29.16 29.92 1rm3 h TRP 84 CO 0.16 -0.03 0.14 0.78 -0.00 0.00 0.00 178.44 179.50 1rm3 h GLY 85 N -0.04 0.83 0.54 1.49 0.00 -0.94 0.13 103.07 105.08 1rm3 h GLY 85 Ca -0.00 -0.50 0.13 0.00 0.00 0.00 0.00 47.33 46.96 1rm3 h GLY 85 CO 0.01 0.47 0.59 -0.55 0.00 0.00 0.00 176.54 177.05 1rm3 h ASP 86 N 0.66 0.76 0.34 0.19 5.19 -1.76 -1.04 116.42 120.76 1rm3 h ASP 86 Ca 0.16 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1rm3 h ASP 86 Cb 0.29 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1rm3 h ASP 86 CO -0.00 0.40 -0.69 0.23 -3.12 0.00 0.00 179.24 176.06 1rm3 n MET 87 N -4.58 0.02 -2.88 3.56 2.81 -0.61 -4.98 117.12 110.46 1rm3 n MET 87 Ca 0.18 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.97 1rm3 n MET 87 Cb 0.41 -1.51 0.04 0.00 -0.71 0.00 0.00 33.22 31.45 1rm3 n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rm3 n GLY 88 N 1.49 0.26 3.69 3.03 0.00 0.31 -4.96 105.19 109.01 1rm3 n GLY 88 Ca 0.05 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1rm3 n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rm3 s ILE 89 N -3.14 3.14 -0.10 -0.61 -1.09 -0.28 -4.77 121.20 114.36 1rm3 s ILE 89 Ca 0.19 0.61 -0.13 0.00 -2.23 0.00 0.00 60.65 59.09 1rm3 s ILE 89 Cb -0.08 -3.39 -0.28 0.00 -1.58 0.00 0.00 42.46 37.13 1rm3 s ILE 89 CO 0.31 0.00 0.53 0.44 -1.23 0.00 0.00 174.94 175.00 1rm3 h ASP 90 N 8.09 0.44 -3.65 3.58 3.32 -1.59 -1.20 116.42 125.41 1rm3 h ASP 90 Ca -0.42 -0.88 -0.35 0.00 0.02 0.00 0.00 57.03 55.40 1rm3 h ASP 90 Cb 1.20 -0.14 -0.32 0.00 0.22 0.00 0.00 39.33 40.29 1rm3 h ASP 90 CO 0.92 1.72 -0.76 -0.22 -1.72 0.00 0.00 179.24 179.18 1rm3 s LEU 91 N -7.38 1.57 -0.17 1.55 2.96 -0.93 0.06 118.68 116.34 1rm3 s LEU 91 Ca -0.20 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.60 1rm3 s LEU 91 Cb 0.05 -0.30 -0.02 0.00 0.50 0.00 0.00 46.19 46.43 1rm3 s LEU 91 CO 0.78 -0.02 -0.06 -0.69 -1.32 0.00 0.00 176.35 175.04 1rm3 s VAL 92 N 0.51 3.50 -0.71 1.68 1.01 0.02 -0.48 120.40 125.92 1rm3 s VAL 92 Ca -0.06 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 1rm3 s VAL 92 Cb -0.09 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.84 1rm3 s VAL 92 CO -0.01 0.48 0.96 -0.63 0.00 0.00 0.00 175.10 175.90 1rm3 s ILE 93 N 0.72 4.49 -0.92 2.22 -1.09 0.21 -0.96 121.20 125.88 1rm3 s ILE 93 Ca -0.03 -0.73 -0.24 0.00 -2.23 0.00 0.00 60.65 57.42 1rm3 s ILE 93 Cb -0.15 -4.68 0.04 0.00 -1.58 0.00 0.00 42.46 36.09 1rm3 s ILE 93 CO 0.02 -1.42 1.42 -0.70 -1.23 0.00 0.00 174.94 173.03 1rm3 s GLU 94 N 3.55 3.40 -0.23 2.79 2.56 -0.08 -1.50 118.70 129.19 1rm3 s GLU 94 Ca 0.23 -0.76 0.10 0.00 0.00 0.00 0.00 54.97 54.53 1rm3 s GLU 94 Cb -0.15 -4.94 0.43 0.00 2.00 0.00 0.00 34.13 31.47 1rm3 s GLU 94 CO 0.05 -2.25 1.21 0.41 -0.56 0.00 0.00 175.26 174.12 1rm3 n GLY 95 N 6.37 5.53 0.15 -1.50 0.00 -0.50 -1.51 105.19 113.72 1rm3 n GLY 95 Ca 0.23 -1.75 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1rm3 n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rm3 h THR 96 N 1.43 0.17 0.00 2.61 1.35 -1.81 -3.43 112.91 113.23 1rm3 h THR 96 Ca 0.12 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1rm3 h THR 96 Cb 1.18 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.43 1rm3 h THR 96 CO 0.25 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 1rm3 n GLY 97 N 1.19 0.99 0.00 5.82 0.00 -1.26 -4.83 105.19 107.10 1rm3 n GLY 97 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1rm3 n GLY 97 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rm3 n VAL 98 N -2.02 0.00 -3.08 1.61 0.24 -1.26 -4.76 118.33 109.06 1rm3 n VAL 98 Ca 0.00 -0.23 -0.33 0.00 -2.04 0.00 0.00 64.34 61.74 1rm3 n VAL 98 Cb 0.00 0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 1rm3 n VAL 98 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1rm3 n PHE 99 N -1.49 3.26 0.14 6.34 3.72 -1.26 -4.80 117.46 123.37 1rm3 n PHE 99 Ca -0.00 -3.48 0.11 0.00 -0.05 0.00 0.00 57.45 54.03 1rm3 n PHE 99 Cb 0.14 -0.82 -0.07 0.00 -0.94 0.00 0.00 39.48 37.79 1rm3 n PHE 99 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1rm3 n VAL 100 N 0.56 0.27 -2.63 -4.37 0.24 -1.26 -3.95 118.33 107.19 1rm3 n VAL 100 Ca 0.32 -0.47 -0.23 0.00 -2.04 0.00 0.00 64.34 61.92 1rm3 n VAL 100 Cb 0.36 -0.08 0.10 0.00 -1.47 0.00 0.00 33.84 32.75 1rm3 n VAL 100 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1rm3 s ASP 101 N -4.73 4.48 0.26 -1.34 1.47 -1.26 -2.57 116.67 112.98 1rm3 s ASP 101 Ca -0.03 -0.38 -0.01 0.00 1.18 0.00 0.00 52.55 53.30 1rm3 s ASP 101 Cb 0.12 -0.05 0.33 0.00 -0.34 0.00 0.00 42.92 42.98 1rm3 s ASP 101 CO 0.85 -1.76 1.73 0.03 0.68 0.00 0.00 175.17 176.69 1rm3 h ARG 102 N -0.42 0.71 0.51 2.11 3.08 -1.94 -1.76 114.38 116.67 1rm3 h ARG 102 Ca -0.36 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 59.44 1rm3 h ARG 102 Cb 1.27 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1rm3 h ARG 102 CO 0.41 0.79 -0.24 -0.44 -1.07 0.00 0.00 179.97 179.42 1rm3 h ASP 103 N 0.65 -0.57 0.02 7.04 3.32 -1.95 -0.57 116.42 124.35 1rm3 h ASP 103 Ca 0.12 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.11 1rm3 h ASP 103 Cb 0.55 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1rm3 h ASP 103 CO 0.03 -0.21 -0.09 1.23 -1.72 0.00 0.00 179.24 178.48 1rm3 h GLY 104 N -0.99 -0.12 2.00 2.75 0.00 -1.91 -2.67 103.07 102.13 1rm3 h GLY 104 Ca -0.07 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1rm3 h GLY 104 CO 0.11 -0.10 -0.29 0.00 0.00 0.00 0.00 176.54 176.27 1rm3 h ALA 105 N 0.80 1.19 0.00 3.60 0.00 -1.42 -2.77 119.26 120.66 1rm3 h ALA 105 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1rm3 h ALA 105 Cb 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rm3 h ALA 105 CO -0.08 0.36 -0.16 0.78 0.00 0.00 0.00 179.25 180.15 1rm3 h GLY 106 N 1.45 0.00 1.68 0.00 0.00 -0.75 -2.57 103.07 102.89 1rm3 h GLY 106 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1rm3 h GLY 106 CO 0.04 0.00 0.15 0.50 0.00 0.00 0.00 176.54 177.22 1rm3 h LYS 107 N 0.00 0.00 -0.08 4.80 1.57 -1.36 0.41 116.57 121.90 1rm3 h LYS 107 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1rm3 h LYS 107 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1rm3 h LYS 107 CO 0.02 0.00 -0.74 0.45 -0.57 0.00 0.00 179.45 178.61 1rm3 h HIS 108 N 0.00 0.61 -0.31 -1.35 3.86 -1.66 -1.92 115.15 114.38 1rm3 h HIS 108 Ca 0.02 -0.27 -0.14 0.00 -1.16 0.00 0.00 60.37 58.82 1rm3 h HIS 108 Cb 0.31 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 1rm3 h HIS 108 CO 0.00 1.04 -0.37 -0.07 0.86 0.00 0.00 177.93 179.39 1rm3 h LEU 109 N 0.31 0.76 -0.31 2.43 3.38 -0.39 -0.16 115.31 121.33 1rm3 h LEU 109 Ca -0.04 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1rm3 h LEU 109 Cb 1.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1rm3 h LEU 109 CO 0.13 1.05 0.14 1.56 0.09 0.00 0.00 178.44 181.41 1rm3 h GLN 110 N 0.60 0.45 0.00 1.13 4.20 -1.14 -1.82 115.11 118.53 1rm3 h GLN 110 Ca 0.06 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1rm3 h GLN 110 Cb 0.91 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1rm3 h GLN 110 CO 0.08 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 1rm3 n ALA 111 N -2.26 1.42 0.00 3.87 0.00 -0.73 -4.75 120.51 118.05 1rm3 n ALA 111 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1rm3 n ALA 111 Cb 0.12 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1rm3 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rm3 n GLY 112 N -0.93 0.83 3.77 0.00 0.00 -0.69 -0.64 105.19 107.53 1rm3 n GLY 112 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1rm3 n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm3 s ALA 113 N -2.00 3.21 0.05 4.61 0.00 -0.08 -3.60 121.76 123.95 1rm3 s ALA 113 Ca 0.00 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 1rm3 s ALA 113 Cb 0.00 -3.32 -0.27 0.00 0.00 0.00 0.00 23.12 19.53 1rm3 s ALA 113 CO 0.00 -0.29 1.04 0.87 0.00 0.00 0.00 175.76 177.38 1rm3 h LYS 114 N 2.97 0.20 -2.84 0.00 1.57 -1.27 -3.37 116.57 113.83 1rm3 h LYS 114 Ca -0.48 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 57.91 1rm3 h LYS 114 Cb 1.22 0.13 -0.15 0.00 0.08 0.00 0.00 32.23 33.50 1rm3 h LYS 114 CO 0.64 1.10 0.06 0.21 -0.57 0.00 0.00 179.45 180.89 1rm3 s LYS 115 N -2.65 1.07 -0.01 3.15 2.20 0.11 -4.88 119.74 118.73 1rm3 s LYS 115 Ca -0.05 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 1rm3 s LYS 115 Cb 0.08 0.49 -0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1rm3 s LYS 115 CO 0.86 -0.40 -0.08 0.08 -0.36 0.00 0.00 175.35 175.44 1rm3 s VAL 116 N -2.73 0.67 -0.24 4.02 1.01 0.05 -0.80 120.40 122.38 1rm3 s VAL 116 Ca -0.04 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.63 1rm3 s VAL 116 Cb -0.00 -0.58 0.05 0.00 0.00 0.00 0.00 36.38 35.85 1rm3 s VAL 116 CO -0.04 0.20 -0.12 -0.22 0.00 0.00 0.00 175.10 174.91 1rm3 s LEU 117 N -0.06 3.14 -0.26 3.92 0.20 -0.14 -1.72 118.68 123.76 1rm3 s LEU 117 Ca 0.01 -1.24 -0.26 0.00 0.69 0.00 0.00 54.13 53.34 1rm3 s LEU 117 Cb -0.05 -1.51 0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1rm3 s LEU 117 CO -0.00 -0.15 0.90 -0.63 -0.29 0.00 0.00 176.35 176.17 1rm3 s ILE 118 N 1.15 4.76 -0.10 6.68 1.01 0.73 -0.90 121.20 134.53 1rm3 s ILE 118 Ca -0.06 1.65 -0.06 0.00 0.00 0.00 0.00 60.65 62.18 1rm3 s ILE 118 Cb -0.19 -4.20 -0.24 0.00 0.01 0.00 0.00 42.46 37.84 1rm3 s ILE 118 CO -0.07 -0.16 3.42 0.35 0.00 0.00 0.00 174.94 178.48 1rm3 n THR 119 N 5.37 2.91 -3.56 2.92 -2.24 -0.57 -1.93 114.28 117.18 1rm3 n THR 119 Ca 0.08 -1.48 0.04 0.00 -2.27 0.00 0.00 64.05 60.41 1rm3 n THR 119 Cb 0.47 -2.01 -0.00 0.00 -2.10 0.00 0.00 70.33 66.69 1rm3 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rm3 s ALA 120 N 1.19 -2.50 0.26 6.98 0.00 -1.22 -4.95 121.76 121.52 1rm3 s ALA 120 Ca 0.63 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 1rm3 s ALA 120 Cb 0.29 0.24 -0.11 0.00 0.00 0.00 0.00 23.12 23.54 1rm3 s ALA 120 CO -0.00 -1.06 1.55 -2.14 0.00 0.00 0.00 175.76 174.10 1rm3 s PRO 121 N -2.04 4.18 -0.15 0.00 0.02 -1.23 -3.92 135.00 131.86 1rm3 s PRO 121 Ca 0.15 2.47 -0.17 0.00 0.02 0.00 0.00 61.00 63.47 1rm3 s PRO 121 Cb 0.08 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 1rm3 s PRO 121 CO -0.07 -0.56 0.45 0.20 -0.33 0.00 0.00 177.00 176.69 1rm3 s GLY 122 N 0.52 2.28 0.12 0.52 0.00 -1.26 -4.93 107.32 104.58 1rm3 s GLY 122 Ca 0.63 -0.30 -0.25 0.00 0.00 0.00 0.00 44.72 44.81 1rm3 s GLY 122 CO 0.44 0.78 0.75 -1.59 0.00 0.00 0.00 173.10 173.49 1rm3 s LYS 122 N 0.85 4.51 0.31 2.90 -2.85 -1.06 -4.67 119.74 119.73 1rm3 s LYS 122 Ca 0.24 1.08 0.00 0.00 -1.00 0.00 0.00 55.97 56.29 1rm3 s LYS 122 Cb -0.15 -3.29 0.00 0.00 -2.06 0.00 0.00 37.83 32.33 1rm3 s LYS 122 CO 0.09 0.50 0.00 0.41 0.10 0.00 0.00 175.35 176.45 1rm3 n GLY 123 N 1.84 -1.85 3.53 0.59 0.00 -1.26 -4.22 105.19 103.81 1rm3 n GLY 123 Ca -0.05 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1rm3 n GLY 123 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rm3 s ASP 124 N -4.00 6.93 -0.10 1.61 2.15 -1.26 -4.93 116.67 117.07 1rm3 s ASP 124 Ca 0.00 -2.65 0.00 0.00 0.43 0.00 0.00 52.55 50.33 1rm3 s ASP 124 Cb 0.00 -2.50 0.02 0.00 -0.30 0.00 0.00 42.92 40.14 1rm3 s ASP 124 CO 0.00 -0.99 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.29 1rm3 s ILE 125 N 3.05 1.05 0.06 4.11 1.01 -1.26 -4.98 121.20 124.24 1rm3 s ILE 125 Ca 0.48 -0.34 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 1rm3 s ILE 125 Cb 0.01 -1.04 -0.10 0.00 0.01 0.00 0.00 42.46 41.34 1rm3 s ILE 125 CO 0.04 0.36 1.92 -2.65 0.00 0.00 0.00 174.94 174.61 1rm3 n PRO 126 N 4.60 2.78 -4.72 2.79 -0.02 -1.26 -4.74 135.00 134.42 1rm3 n PRO 126 Ca -0.16 1.01 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 1rm3 n PRO 126 Cb 0.50 -2.94 -0.12 0.00 -0.02 0.00 0.00 33.50 30.93 1rm3 n PRO 126 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rm3 s THR 127 N 3.82 3.40 0.03 3.45 -4.23 -1.26 -0.56 115.64 120.29 1rm3 s THR 127 Ca 0.87 -0.63 0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1rm3 s THR 127 Cb -0.48 -2.38 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 1rm3 s THR 127 CO 0.41 0.57 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.65 1rm3 s TYR 128 N -0.80 0.92 -0.20 3.99 1.51 0.41 -4.76 117.35 118.43 1rm3 s TYR 128 Ca 0.13 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 1rm3 s TYR 128 Cb -0.11 -0.55 0.05 0.00 -0.11 0.00 0.00 41.96 41.24 1rm3 s TYR 128 CO 0.02 -0.01 -0.07 0.08 -1.11 0.00 0.00 175.55 174.46 1rm3 s VAL 129 N -0.91 1.43 0.22 0.71 1.01 -1.26 -4.19 120.40 117.41 1rm3 s VAL 129 Ca -0.02 -0.93 -0.32 0.00 0.00 0.00 0.00 61.98 60.71 1rm3 s VAL 129 Cb -0.08 -1.59 -0.13 0.00 0.00 0.00 0.00 36.38 34.58 1rm3 s VAL 129 CO 0.01 0.09 1.50 0.52 0.00 0.00 0.00 175.10 177.22 1rm3 n VAL 130 N 4.75 0.60 -0.15 2.92 0.31 -1.26 -0.86 118.33 124.64 1rm3 n VAL 130 Ca -0.13 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 1rm3 n VAL 130 Cb 0.46 -1.57 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 1rm3 n VAL 130 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rm3 n GLY 131 N 2.65 1.06 0.52 2.92 0.00 -1.26 -4.84 105.19 106.23 1rm3 n GLY 131 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1rm3 n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1rm3 n VAL 132 N -2.00 0.05 -1.99 1.61 0.31 -0.04 -4.94 118.33 111.33 1rm3 n VAL 132 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1rm3 n VAL 132 Cb 0.00 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1rm3 n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1rm3 n ASN 133 N -2.80 0.00 0.32 4.52 2.04 -0.99 -4.94 115.26 113.41 1rm3 n ASN 133 Ca -0.02 -1.18 0.20 0.00 -0.44 0.00 0.00 54.58 53.14 1rm3 n ASN 133 Cb 0.52 -0.04 1.07 0.00 -2.53 0.00 0.00 39.78 38.80 1rm3 n ASN 133 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 1rm3 h GLU 134 N 0.00 0.00 0.00 -3.83 9.09 -1.94 -0.67 114.58 117.24 1rm3 h GLU 134 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1rm3 h GLU 134 Cb 1.07 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1rm3 h GLU 134 CO 0.00 0.00 -0.06 0.93 0.05 0.00 0.00 179.01 179.93 1rm3 h GLU 135 N 0.00 0.00 0.00 1.06 5.08 -1.94 -1.41 114.58 117.37 1rm3 h GLU 135 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1rm3 h GLU 135 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1rm3 h GLU 135 CO -0.00 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 1rm3 n GLY 136 N -0.79 -0.96 3.78 -3.84 0.00 -0.26 -4.83 105.19 98.29 1rm3 n GLY 136 Ca -0.02 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 1rm3 n GLY 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rm3 s TYR 137 N -2.51 2.74 -0.14 1.61 5.04 -0.53 -5.06 117.35 118.50 1rm3 s TYR 137 Ca 0.22 1.55 -0.12 0.00 -2.44 0.00 0.00 57.07 56.28 1rm3 s TYR 137 Cb 0.14 -3.22 0.04 0.00 0.35 0.00 0.00 41.96 39.28 1rm3 s TYR 137 CO 0.32 -1.43 0.36 0.95 -1.34 0.00 0.00 175.55 174.41 1rm3 s THR 138 N -1.93 -0.00 0.63 4.34 -4.23 -1.26 -5.02 115.64 108.16 1rm3 s THR 138 Ca 0.70 0.02 0.29 0.00 -1.18 0.00 0.00 61.69 61.52 1rm3 s THR 138 Cb -0.22 -0.51 0.33 0.00 1.34 0.00 0.00 72.50 73.45 1rm3 s THR 138 CO 0.28 0.01 1.90 -0.74 -0.54 0.00 0.00 174.62 175.53 1rm3 h HIS 139 N 5.84 0.00 0.00 3.99 2.76 -1.95 0.27 115.15 126.05 1rm3 h HIS 139 Ca -0.28 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 1rm3 h HIS 139 Cb 1.18 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1rm3 h HIS 139 CO 0.38 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 177.01 1rm3 h ALA 140 N 1.38 1.00 -2.17 5.26 0.00 -1.95 -3.41 119.26 119.38 1rm3 h ALA 140 Ca 0.09 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.43 1rm3 h ALA 140 Cb 0.89 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1rm3 h ALA 140 CO -0.00 0.00 0.83 -0.51 0.00 0.00 0.00 179.25 179.56 1rm3 s ASP 141 N -5.18 7.02 -0.04 0.00 1.01 0.94 -4.90 116.67 115.51 1rm3 s ASP 141 Ca -0.05 1.63 0.17 0.00 0.71 0.00 0.00 52.55 55.01 1rm3 s ASP 141 Cb 0.13 -2.54 -0.21 0.00 1.01 0.00 0.00 42.92 41.30 1rm3 s ASP 141 CO 0.42 -0.69 0.55 0.35 0.21 0.00 0.00 175.17 176.00 1rm3 n THR 142 N 5.18 1.22 -3.83 -1.27 -2.24 -1.26 -4.85 114.28 107.23 1rm3 n THR 142 Ca 0.13 -0.74 -0.26 0.00 -2.27 0.00 0.00 64.05 60.91 1rm3 n THR 142 Cb 0.46 -0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 67.86 1rm3 n THR 142 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1rm3 s ILE 143 N -2.79 0.75 0.11 2.28 1.01 -1.26 -0.77 121.20 120.54 1rm3 s ILE 143 Ca -0.06 -0.25 0.06 0.00 0.00 0.00 0.00 60.65 60.40 1rm3 s ILE 143 Cb 0.08 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1rm3 s ILE 143 CO 0.83 0.21 -0.15 0.27 0.00 0.00 0.00 174.94 176.10 1rm3 s ILE 144 N 1.80 1.33 0.04 2.92 -4.36 -0.70 -4.04 121.20 118.20 1rm3 s ILE 144 Ca 0.03 -1.65 0.05 0.00 -0.26 0.00 0.00 60.65 58.82 1rm3 s ILE 144 Cb -0.14 -1.47 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 1rm3 s ILE 144 CO -0.07 -0.37 -0.10 -0.55 0.24 0.00 0.00 174.94 174.09 1rm3 s SER 145 N -2.32 4.36 -0.19 4.36 0.15 0.28 -0.19 113.70 120.14 1rm3 s SER 145 Ca 0.07 -0.28 0.16 0.00 0.70 0.00 0.00 55.95 56.60 1rm3 s SER 145 Cb -0.06 -0.90 0.66 0.00 -1.71 0.00 0.00 66.02 64.01 1rm3 s SER 145 CO 0.03 0.25 1.57 -3.20 1.20 0.00 0.00 173.24 173.08 1rm3 n ASN 146 N 1.32 4.68 -0.61 5.45 5.15 -0.81 -0.44 115.26 129.99 1rm3 n ASN 146 Ca -0.15 -2.89 0.00 0.00 -0.60 0.00 0.00 54.58 50.94 1rm3 n ASN 146 Cb 0.52 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1rm3 n ASN 146 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rm3 n ALA 147 N 0.13 0.00 -2.01 5.20 0.00 -1.25 -4.81 120.51 117.77 1rm3 n ALA 147 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 1rm3 n ALA 147 Cb 1.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.47 1rm3 n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1rm3 s SER 148 N -4.00 5.53 0.18 0.00 1.04 -1.26 -3.42 113.70 111.77 1rm3 s SER 148 Ca 0.00 -0.39 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 1rm3 s SER 148 Cb 0.00 -0.61 0.09 0.00 0.10 0.00 0.00 66.02 65.60 1rm3 s SER 148 CO 0.00 -0.88 1.72 0.00 0.98 0.00 0.00 173.24 175.05 1rm3 h THR 150 N 0.91 1.25 -0.18 0.00 2.02 -1.95 -2.54 112.91 112.43 1rm3 h THR 150 Ca 0.21 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 1rm3 h THR 150 Cb 0.27 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 1rm3 h THR 150 CO -0.01 0.34 -0.15 0.74 0.37 0.00 0.00 175.52 176.81 1rm3 h THR 151 N 0.93 1.20 0.00 3.16 2.02 -1.84 -1.14 112.91 117.25 1rm3 h THR 151 Ca 0.20 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1rm3 h THR 151 Cb 0.32 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1rm3 h THR 151 CO -0.00 0.28 -0.05 0.78 0.37 0.00 0.00 175.52 176.90 1rm3 h ASN 152 N 0.28 0.00 0.13 4.18 4.21 -0.96 -1.06 115.58 122.36 1rm3 h ASN 152 Ca 0.05 0.00 -0.31 0.00 1.21 0.00 0.00 56.30 57.26 1rm3 h ASN 152 Cb 0.44 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.64 1rm3 h ASN 152 CO 0.03 0.05 -1.59 0.00 -1.29 0.00 0.00 177.43 174.63 1rm3 h LEU 154 N -0.17 -0.17 -0.56 0.00 5.85 -1.21 -3.36 115.31 115.69 1rm3 h LEU 154 Ca -0.34 -0.37 0.11 0.00 0.84 0.00 0.00 57.88 58.13 1rm3 h LEU 154 Cb 1.87 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 42.84 1rm3 h LEU 154 CO 0.08 0.34 -0.10 0.00 -0.34 0.00 0.00 178.44 178.42 1rm3 h ALA 155 N -0.06 0.42 -0.39 1.25 0.00 -1.41 -1.25 119.26 117.82 1rm3 h ALA 155 Ca -0.02 0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1rm3 h ALA 155 Cb 0.52 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1rm3 h ALA 155 CO 0.03 -0.42 -0.17 -1.35 0.00 0.00 0.00 179.25 177.34 1rm3 h PRO 156 N 0.03 -0.09 0.00 0.00 0.11 -1.75 -0.69 132.00 129.61 1rm3 h PRO 156 Ca 0.28 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.34 1rm3 h PRO 156 Cb 0.43 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1rm3 h PRO 156 CO -0.55 -0.06 -0.55 0.27 -0.21 0.00 0.00 178.00 176.90 1rm3 h PHE 157 N -0.10 0.00 -0.50 0.65 -0.00 -1.67 -3.17 116.94 112.15 1rm3 h PHE 157 Ca 0.19 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 58.08 1rm3 h PHE 157 Cb 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.32 1rm3 h PHE 157 CO -0.41 0.22 -0.04 0.28 -0.00 0.00 0.00 178.31 178.36 1rm3 h VAL 158 N 0.00 1.25 -0.77 0.88 2.07 -0.88 -0.24 116.25 118.57 1rm3 h VAL 158 Ca -0.02 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.42 1rm3 h VAL 158 Cb 1.19 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1rm3 h VAL 158 CO 0.03 0.39 0.49 0.50 0.02 0.00 0.00 177.57 178.99 1rm3 h LYS 159 N 0.80 0.91 -0.26 1.57 3.64 -1.11 0.68 116.57 122.80 1rm3 h LYS 159 Ca 0.14 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1rm3 h LYS 159 Cb 0.53 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1rm3 h LYS 159 CO 0.03 0.60 -0.09 0.28 -2.27 0.00 0.00 179.45 178.00 1rm3 h VAL 160 N 0.94 1.29 -0.92 2.00 2.07 -1.41 -1.63 116.25 118.59 1rm3 h VAL 160 Ca 0.31 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1rm3 h VAL 160 Cb 0.03 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1rm3 h VAL 160 CO -0.12 0.36 0.61 -0.07 0.02 0.00 0.00 177.57 178.37 1rm3 h LEU 161 N 0.25 1.03 -0.14 2.57 3.38 -0.54 -0.69 115.31 121.17 1rm3 h LEU 161 Ca 0.06 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.78 1rm3 h LEU 161 Cb 0.58 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1rm3 h LEU 161 CO 0.03 0.72 -0.82 -0.78 0.09 0.00 0.00 178.44 177.69 1rm3 h ASP 162 N 1.20 0.95 -0.33 -0.43 3.58 -0.77 0.24 116.42 120.86 1rm3 h ASP 162 Ca 0.35 -0.64 -0.16 0.00 0.42 0.00 0.00 57.03 57.00 1rm3 h ASP 162 Cb -0.07 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.70 1rm3 h ASP 162 CO -0.09 1.44 -0.41 1.56 -2.88 0.00 0.00 179.24 178.86 1rm3 h GLN 163 N 0.53 0.89 0.08 0.28 4.20 -1.07 -1.30 115.11 118.71 1rm3 h GLN 163 Ca -0.06 -0.48 -0.29 0.00 0.06 0.00 0.00 58.65 57.88 1rm3 h GLN 163 Cb 1.45 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.24 1rm3 h GLN 163 CO 0.17 1.13 -1.49 0.87 -0.67 0.00 0.00 178.83 178.83 1rm3 h LYS 164 N 0.72 0.16 0.00 1.46 1.79 -1.18 -3.42 116.57 116.10 1rm3 h LYS 164 Ca 0.05 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1rm3 h LYS 164 Cb 0.99 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1rm3 h LYS 164 CO 0.10 0.98 -0.56 1.19 -1.08 0.00 0.00 179.45 180.08 1rm3 n PHE 165 N -3.36 0.00 -1.71 -1.35 3.01 0.02 -4.95 117.46 109.13 1rm3 n PHE 165 Ca -0.14 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.31 1rm3 n PHE 165 Cb 1.03 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.49 1rm3 n PHE 165 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rm3 n GLY 166 N 1.59 -3.26 3.72 1.37 0.00 -0.49 -2.23 105.19 105.89 1rm3 n GLY 166 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1rm3 n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rm3 s ILE 167 N -0.19 3.71 -0.24 -0.61 1.01 -1.26 -0.71 121.20 122.92 1rm3 s ILE 167 Ca -0.03 1.30 -0.17 0.00 0.00 0.00 0.00 60.65 61.75 1rm3 s ILE 167 Cb 0.00 -3.83 -0.14 0.00 0.01 0.00 0.00 42.46 38.50 1rm3 s ILE 167 CO 0.14 0.14 -0.14 -0.38 0.00 0.00 0.00 174.94 174.70 1rm3 n ILE 168 N 3.40 1.52 -3.51 2.92 5.41 0.50 -4.91 119.36 124.69 1rm3 n ILE 168 Ca 0.08 -0.19 -0.11 0.00 1.00 0.00 0.00 62.75 63.53 1rm3 n ILE 168 Cb 0.45 -1.99 -0.02 0.00 -0.71 0.00 0.00 39.64 37.37 1rm3 n ILE 168 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1rm3 s LYS 169 N -2.47 1.35 -0.15 0.38 -2.85 -1.22 -4.84 119.74 109.94 1rm3 s LYS 169 Ca -0.34 -0.56 -0.34 0.00 -1.00 0.00 0.00 55.97 53.73 1rm3 s LYS 169 Cb 0.10 0.58 0.13 0.00 -2.06 0.00 0.00 37.83 36.59 1rm3 s LYS 169 CO 0.51 -0.60 1.23 0.20 0.10 0.00 0.00 175.35 176.79 1rm3 s GLY 170 N -2.77 -0.32 0.12 0.59 0.00 -0.01 -0.89 107.32 104.04 1rm3 s GLY 170 Ca 0.03 1.37 0.04 0.00 0.00 0.00 0.00 44.72 46.16 1rm3 s GLY 170 CO -0.09 0.43 -0.10 -0.51 0.00 0.00 0.00 173.10 172.83 1rm3 s THR 171 N -2.42 1.08 0.04 0.90 -4.23 -0.02 -2.43 115.64 108.55 1rm3 s THR 171 Ca 0.11 -1.85 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 1rm3 s THR 171 Cb 0.00 -1.61 -0.02 0.00 1.34 0.00 0.00 72.50 72.22 1rm3 s THR 171 CO -0.04 -0.64 0.07 0.00 -0.54 0.00 0.00 174.62 173.47 1rm3 s MET 172 N -3.25 0.57 -0.03 3.99 0.23 -0.54 -0.90 119.30 119.38 1rm3 s MET 172 Ca 0.11 -0.81 0.00 0.00 -1.03 0.00 0.00 55.69 53.97 1rm3 s MET 172 Cb -0.00 0.22 0.03 0.00 -1.53 0.00 0.00 34.83 33.54 1rm3 s MET 172 CO 0.00 -0.14 -0.00 0.99 -2.03 0.00 0.00 175.02 173.84 1rm3 s THR 173 N -2.71 0.19 -0.21 3.16 2.01 -0.58 -1.65 115.64 115.84 1rm3 s THR 173 Ca -0.04 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.00 1rm3 s THR 173 Cb -0.01 -0.27 -0.00 0.00 0.01 0.00 0.00 72.50 72.23 1rm3 s THR 173 CO -0.05 0.14 -0.08 0.28 -0.69 0.00 0.00 174.62 174.22 1rm3 s THR 174 N 0.96 3.04 -0.60 -0.82 -1.32 -0.90 -0.51 115.64 115.49 1rm3 s THR 174 Ca -0.10 -0.62 -0.22 0.00 -1.21 0.00 0.00 61.69 59.54 1rm3 s THR 174 Cb -0.13 -2.37 0.06 0.00 -1.51 0.00 0.00 72.50 68.55 1rm3 s THR 174 CO -0.02 0.44 0.88 -0.89 -2.21 0.00 0.00 174.62 172.83 1rm3 s THR 175 N 1.43 4.47 0.01 5.08 2.01 -0.29 -0.13 115.64 128.21 1rm3 s THR 175 Ca 0.05 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.81 1rm3 s THR 175 Cb -0.14 -4.57 -0.04 0.00 0.01 0.00 0.00 72.50 67.77 1rm3 s THR 175 CO -0.06 -1.23 0.01 -2.28 -0.69 0.00 0.00 174.62 170.37 1rm3 s HIS 176 N 3.69 3.10 0.63 4.92 2.46 0.59 -1.54 115.29 129.14 1rm3 s HIS 176 Ca 0.22 0.09 -0.16 0.00 0.47 0.00 0.00 55.06 55.68 1rm3 s HIS 176 Cb -0.17 -1.67 -0.01 0.00 -0.13 0.00 0.00 32.58 30.60 1rm3 s HIS 176 CO 0.13 0.47 1.14 -1.12 -2.47 0.00 0.00 174.74 172.89 1rm3 s SER 177 N -1.64 5.14 0.70 9.88 0.01 -1.25 -0.33 113.70 126.21 1rm3 s SER 177 Ca 0.20 2.13 -0.13 0.00 1.31 0.00 0.00 55.95 59.46 1rm3 s SER 177 Cb -0.12 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.57 1rm3 s SER 177 CO 0.11 -1.61 1.10 -0.72 0.41 0.00 0.00 173.24 172.53 1rm3 s TYR 178 N -2.08 2.60 0.34 2.43 -0.85 -0.67 -4.73 117.35 114.40 1rm3 s TYR 178 Ca 0.70 1.55 0.03 0.00 -0.52 0.00 0.00 57.07 58.84 1rm3 s TYR 178 Cb -0.23 -3.12 -0.04 0.00 0.38 0.00 0.00 41.96 38.94 1rm3 s TYR 178 CO 0.38 -1.73 0.11 0.95 -1.52 0.00 0.00 175.55 173.74 1rm3 s THR 179 N -2.56 0.69 0.62 -3.49 -4.23 -1.26 -4.72 115.64 100.69 1rm3 s THR 179 Ca 0.65 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.47 1rm3 s THR 179 Cb -0.19 -2.56 0.36 0.00 1.34 0.00 0.00 72.50 71.45 1rm3 s THR 179 CO 0.47 0.00 2.09 1.23 -0.54 0.00 0.00 174.62 177.87 1rm3 h GLY 180 N 2.08 0.00 2.00 3.99 0.00 -1.98 -1.46 103.07 107.69 1rm3 h GLY 180 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1rm3 h GLY 180 CO 0.60 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 175.34 1rm3 h ASP 181 N 0.00 0.00 -2.57 0.19 3.58 -1.99 -3.44 116.42 112.19 1rm3 h ASP 181 Ca 0.07 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 57.06 1rm3 h ASP 181 Cb 0.50 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.64 1rm3 h ASP 181 CO -0.00 0.00 0.14 -1.10 -2.88 0.00 0.00 179.24 175.40 1rm3 s GLN 182 N -3.52 1.72 -0.04 0.28 -0.21 -0.55 -4.97 119.66 112.37 1rm3 s GLN 182 Ca 0.02 -0.90 -0.00 0.00 0.02 0.00 0.00 55.36 54.49 1rm3 s GLN 182 Cb 0.09 -2.28 -0.03 0.00 1.00 0.00 0.00 33.01 31.79 1rm3 s GLN 182 CO 0.40 -1.44 0.00 1.03 -2.12 0.00 0.00 175.29 173.16 1rm3 s ARG 183 N -5.19 2.89 0.21 2.91 1.81 -1.11 -5.00 118.95 115.47 1rm3 s ARG 183 Ca 0.65 -0.51 -0.03 0.00 -1.72 0.00 0.00 55.73 54.12 1rm3 s ARG 183 Cb -0.06 -2.73 0.17 0.00 -0.45 0.00 0.00 34.95 31.88 1rm3 s ARG 183 CO 0.45 0.66 1.58 1.25 -0.68 0.00 0.00 175.30 178.55 1rm3 h LEU 184 N 4.74 0.67 -8.02 2.53 5.85 -1.92 0.48 115.31 119.64 1rm3 h LEU 184 Ca -0.50 -0.30 -0.23 0.00 0.84 0.00 0.00 57.88 57.69 1rm3 h LEU 184 Cb 1.18 -0.19 -0.23 0.00 0.37 0.00 0.00 40.66 41.80 1rm3 h LEU 184 CO 0.56 0.99 -0.72 -0.76 -0.34 0.00 0.00 178.44 178.16 1rm3 s LEU 185 N -8.59 2.20 -0.41 2.25 1.43 -1.26 -3.93 118.68 110.37 1rm3 s LEU 185 Ca -0.08 -0.42 -0.37 0.00 -1.03 0.00 0.00 54.13 52.23 1rm3 s LEU 185 Cb 0.12 -0.05 -0.16 0.00 0.03 0.00 0.00 46.19 46.13 1rm3 s LEU 185 CO 0.83 -0.19 1.61 0.47 0.23 0.00 0.00 176.35 179.30 1rm3 n ASP 186 N 1.85 0.72 -3.86 2.29 9.92 -1.25 -4.51 116.55 121.71 1rm3 n ASP 186 Ca -0.21 0.68 -0.09 0.00 -0.53 0.00 0.00 54.79 54.63 1rm3 n ASP 186 Cb 0.56 -0.73 -0.05 0.00 -0.64 0.00 0.00 41.12 40.26 1rm3 n ASP 186 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rm3 s ALA 187 N 4.17 -0.57 0.19 2.24 0.00 0.12 -4.95 121.76 122.96 1rm3 s ALA 187 Ca 0.94 -0.53 -0.32 0.00 0.00 0.00 0.00 51.96 52.05 1rm3 s ALA 187 Cb -1.22 0.90 -0.15 0.00 0.00 0.00 0.00 23.12 22.65 1rm3 s ALA 187 CO 0.58 -0.79 1.16 0.43 0.00 0.00 0.00 175.76 177.13 1rm3 n SER 188 N -0.33 1.40 -3.64 0.00 7.64 -1.26 -4.55 113.62 112.89 1rm3 n SER 188 Ca -0.07 1.15 -0.05 0.00 1.01 0.00 0.00 58.87 60.90 1rm3 n SER 188 Cb 0.62 -1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 62.52 1rm3 n SER 188 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1rm3 s HIS 190 N -0.28 -0.57 0.39 1.43 5.04 -1.26 -4.93 115.29 115.11 1rm3 s HIS 190 Ca 0.71 1.23 0.13 0.00 -1.54 0.00 0.00 55.06 55.59 1rm3 s HIS 190 Cb -0.82 0.37 0.97 0.00 0.04 0.00 0.00 32.58 33.14 1rm3 s HIS 190 CO 0.53 -0.28 1.87 0.07 -2.34 0.00 0.00 174.74 174.59 1rm3 h ARG 191 N 5.42 0.51 -5.57 2.88 0.11 -1.99 -3.30 114.38 112.45 1rm3 h ARG 191 Ca -0.28 -0.03 -0.64 0.00 0.10 0.00 0.00 59.98 59.13 1rm3 h ARG 191 Cb 1.19 -0.12 -0.14 0.00 1.11 0.00 0.00 29.97 32.01 1rm3 h ARG 191 CO 0.16 0.34 0.29 0.34 0.10 0.00 0.00 179.97 181.20 1rm3 s ASP 192 N -5.77 6.34 0.53 0.08 -1.08 -1.26 -4.91 116.67 110.60 1rm3 s ASP 192 Ca -0.09 -0.36 0.35 0.00 -0.52 0.00 0.00 52.55 51.93 1rm3 s ASP 192 Cb 0.22 -2.36 1.90 0.00 -1.46 0.00 0.00 42.92 41.22 1rm3 s ASP 192 CO 0.78 -0.95 2.07 -0.07 0.52 0.00 0.00 175.17 177.52 1rm3 h LEU 193 N 10.13 0.00 0.07 -1.34 3.38 -1.99 -2.18 115.31 123.39 1rm3 h LEU 193 Ca -0.26 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.43 1rm3 h LEU 193 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1rm3 h LEU 193 CO 0.97 0.00 -1.52 0.03 0.09 0.00 0.00 178.44 178.01 1rm3 h ARG 194 N 0.00 0.14 0.00 1.13 3.08 -1.90 -3.31 114.38 113.51 1rm3 h ARG 194 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1rm3 h ARG 194 Cb 0.04 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1rm3 h ARG 194 CO 0.00 1.11 0.00 0.54 -1.07 0.00 0.00 179.97 180.55 1rm3 n ARG 195 N -4.01 0.06 0.11 0.04 1.74 -0.97 -1.52 116.66 112.12 1rm3 n ARG 195 Ca -0.30 0.28 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 1rm3 n ARG 195 Cb 0.85 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 31.20 1rm3 n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1rm3 n ALA 196 N -1.38 2.20 -2.31 7.54 0.00 -0.86 -2.75 120.51 122.96 1rm3 n ALA 196 Ca 0.03 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.12 1rm3 n ALA 196 Cb 0.08 -1.46 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 1rm3 n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rm3 s ARG 197 N -3.13 3.97 -0.41 0.00 1.81 -0.58 -0.70 118.95 119.91 1rm3 s ARG 197 Ca 0.10 0.51 -0.34 0.00 -1.72 0.00 0.00 55.73 54.27 1rm3 s ARG 197 Cb 0.12 -2.77 -0.15 0.00 -0.45 0.00 0.00 34.95 31.70 1rm3 s ARG 197 CO 0.57 0.37 1.71 0.00 -0.68 0.00 0.00 175.30 177.28 1rm3 n ALA 198 N 0.35 0.18 0.16 2.13 0.00 -1.26 -4.41 120.51 117.65 1rm3 n ALA 198 Ca -0.02 0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1rm3 n ALA 198 Cb 0.52 -1.65 0.34 0.00 0.00 0.00 0.00 19.45 18.66 1rm3 n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rm3 h ALA 199 N 7.22 1.35 -0.01 0.00 0.00 -1.01 -2.78 119.26 124.03 1rm3 h ALA 199 Ca -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1rm3 h ALA 199 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1rm3 h ALA 199 CO 0.87 0.47 -0.06 0.00 0.00 0.00 0.00 179.25 180.53 1rm3 n LEU 201 N -0.43 0.37 -4.27 0.00 4.77 -1.07 -4.74 117.00 111.64 1rm3 n LEU 201 Ca 0.18 -0.50 -0.15 0.00 -0.03 0.00 0.00 56.01 55.51 1rm3 n LEU 201 Cb 0.29 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 1rm3 n LEU 201 CO 0.20 0.09 -0.36 0.20 -1.33 0.00 0.00 177.39 176.19 1rm3 s ASN 202 N -1.74 1.60 -0.36 -1.43 0.01 -1.12 -5.05 114.94 106.85 1rm3 s ASN 202 Ca 0.03 -1.12 -0.15 0.00 -0.71 0.00 0.00 52.86 50.91 1rm3 s ASN 202 Cb 0.06 0.04 -0.00 0.00 0.41 0.00 0.00 41.25 41.75 1rm3 s ASN 202 CO 0.32 -0.46 0.37 -0.63 -1.51 0.00 0.00 177.10 175.19 1rm3 s ILE 203 N -3.46 5.16 -0.43 0.60 1.01 -1.26 -4.06 121.20 118.76 1rm3 s ILE 203 Ca 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 1rm3 s ILE 203 Cb 0.05 -3.87 0.10 0.00 0.01 0.00 0.00 42.46 38.75 1rm3 s ILE 203 CO 0.03 -0.17 0.25 -0.69 0.00 0.00 0.00 174.94 174.37 1rm3 s VAL 204 N 2.01 3.80 0.46 2.92 1.01 0.24 -4.89 120.40 125.95 1rm3 s VAL 204 Ca 0.11 -1.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.07 1rm3 s VAL 204 Cb -0.17 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.66 1rm3 s VAL 204 CO 0.12 -0.65 1.31 -2.84 0.00 0.00 0.00 175.10 173.04 1rm3 s PRO 205 N 1.29 3.65 0.06 2.72 0.02 -1.26 -0.90 135.00 140.58 1rm3 s PRO 205 Ca 0.05 2.14 -0.27 0.00 0.02 0.00 0.00 61.00 62.95 1rm3 s PRO 205 Cb -0.24 -2.53 0.07 0.00 0.02 0.00 0.00 34.50 31.82 1rm3 s PRO 205 CO -0.01 -0.75 0.66 -0.08 -0.33 0.00 0.00 177.00 176.48 1rm3 s THR 206 N -1.32 0.00 0.73 0.99 -1.32 0.45 -4.70 115.64 110.46 1rm3 s THR 206 Ca 0.63 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.99 1rm3 s THR 206 Cb -0.38 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.64 1rm3 s THR 206 CO 0.47 0.00 1.09 -0.44 -2.21 0.00 0.00 174.62 173.53 1rm3 s SER 207 N -2.08 4.84 -0.01 8.08 0.01 -1.26 -0.46 113.70 122.82 1rm3 s SER 207 Ca -0.03 1.83 -0.04 0.00 1.31 0.00 0.00 55.95 59.01 1rm3 s SER 207 Cb -0.01 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 1rm3 s SER 207 CO -0.03 -1.81 0.09 0.28 0.41 0.00 0.00 173.24 172.17 1rm3 s THR 208 N -2.77 0.07 -1.88 1.44 -1.32 -1.26 -4.65 115.64 105.26 1rm3 s THR 208 Ca 0.62 -0.54 0.16 0.00 -1.21 0.00 0.00 61.69 60.71 1rm3 s THR 208 Cb -0.17 -0.31 0.11 0.00 -1.51 0.00 0.00 72.50 70.61 1rm3 s THR 208 CO 0.52 -0.30 0.97 0.61 -2.21 0.00 0.00 174.62 174.21 1rm3 n GLY 209 N 1.94 0.11 0.25 6.08 0.00 -1.26 -4.56 105.19 107.76 1rm3 n GLY 209 Ca -0.20 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 1rm3 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rm3 h ALA 210 N 3.02 0.89 -0.21 4.61 0.00 -1.96 0.18 119.26 125.79 1rm3 h ALA 210 Ca 0.00 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1rm3 h ALA 210 Cb 0.63 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1rm3 h ALA 210 CO 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 179.25 178.91 1rm3 h ALA 211 N 1.38 -0.27 -0.01 0.00 0.00 -1.90 -0.99 119.26 117.47 1rm3 h ALA 211 Ca 0.31 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1rm3 h ALA 211 Cb 0.28 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1rm3 h ALA 211 CO -0.23 -0.75 -0.77 1.57 0.00 0.00 0.00 179.25 179.07 1rm3 h LYS 212 N -0.33 0.13 0.00 0.00 2.10 -1.68 -3.18 116.57 113.61 1rm3 h LYS 212 Ca 0.12 -0.12 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1rm3 h LYS 212 Cb 0.52 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1rm3 h LYS 212 CO -0.40 0.83 -0.12 0.00 -2.00 0.00 0.00 179.45 177.76 1rm3 h ALA 213 N 1.13 1.38 -0.27 0.07 0.00 0.01 -1.97 119.26 119.61 1rm3 h ALA 213 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1rm3 h ALA 213 Cb 1.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1rm3 h ALA 213 CO 0.11 0.15 0.18 0.28 0.00 0.00 0.00 179.25 179.97 1rm3 h VAL 214 N 0.00 1.07 0.00 0.00 2.07 -1.18 -0.95 116.25 117.26 1rm3 h VAL 214 Ca -0.00 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1rm3 h VAL 214 Cb 0.30 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1rm3 h VAL 214 CO 0.02 0.07 -0.02 0.00 0.02 0.00 0.00 177.57 177.65 1rm3 h ALA 215 N 1.83 1.08 -0.05 1.67 0.00 -1.53 0.81 119.26 123.07 1rm3 h ALA 215 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1rm3 h ALA 215 Cb -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rm3 h ALA 215 CO -0.02 0.03 -0.09 -0.07 0.00 0.00 0.00 179.25 179.09 1rm3 h LEU 216 N 0.00 0.17 0.00 0.00 3.38 -1.31 -2.54 115.31 115.02 1rm3 h LEU 216 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 1rm3 h LEU 216 Cb 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1rm3 h LEU 216 CO 0.00 0.69 -0.44 -0.37 0.09 0.00 0.00 178.44 178.41 1rm3 h VAL 217 N -0.34 0.00 -2.33 1.22 -1.51 -1.56 -3.39 116.25 108.34 1rm3 h VAL 217 Ca 0.00 -0.57 -0.59 0.00 -1.23 0.00 0.00 66.70 64.32 1rm3 h VAL 217 Cb 0.65 1.29 -0.38 0.00 -2.13 0.00 0.00 31.29 30.72 1rm3 h VAL 217 CO 0.02 0.00 -0.98 0.18 -1.23 0.00 0.00 177.57 175.56 1rm3 n LEU 218 N -2.28 -0.25 -0.44 4.19 4.77 0.25 -4.64 117.00 118.60 1rm3 n LEU 218 Ca 0.04 -4.45 0.37 0.00 -0.03 0.00 0.00 56.01 51.93 1rm3 n LEU 218 Cb 0.45 0.51 0.65 0.00 -2.33 0.00 0.00 43.42 42.70 1rm3 n LEU 218 CO 0.35 1.89 1.23 -0.65 -1.33 0.00 0.00 177.39 178.87 1rm3 h PRO 219 N 5.38 0.07 0.00 3.23 0.11 -1.66 0.23 132.00 139.36 1rm3 h PRO 219 Ca 0.24 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1rm3 h PRO 219 Cb 0.90 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1rm3 h PRO 219 CO 0.40 0.05 0.00 -0.97 -0.21 0.00 0.00 178.00 177.27 1rm3 h ASN 220 N 0.07 0.00 -0.21 -2.05 -1.24 -1.94 -2.24 115.58 107.97 1rm3 h ASN 220 Ca 0.83 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.84 1rm3 h ASN 220 Cb 2.59 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.64 1rm3 h ASN 220 CO -0.44 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 175.88 1rm3 n LEU 221 N -2.72 2.02 -4.68 0.34 7.99 0.07 -4.91 117.00 115.12 1rm3 n LEU 221 Ca -0.01 -0.86 -0.47 0.00 -0.01 0.00 0.00 56.01 54.67 1rm3 n LEU 221 Cb 0.12 -0.14 -0.04 0.00 -0.11 0.00 0.00 43.42 43.25 1rm3 n LEU 221 CO 0.18 0.43 1.39 1.17 -1.51 0.00 0.00 177.39 179.05 1rm3 n LYS 222 N 0.56 2.26 -0.94 3.23 4.81 -0.84 -1.18 118.16 126.06 1rm3 n LYS 222 Ca 0.16 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1rm3 n LYS 222 Cb 0.38 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.78 1rm3 n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rm3 n GLY 223 N 4.04 0.40 0.04 3.14 0.00 -1.26 -4.88 105.19 106.67 1rm3 n GLY 223 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1rm3 n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rm3 n LYS 224 N -1.62 0.57 -4.21 1.61 5.02 -0.32 -4.98 118.16 114.23 1rm3 n LYS 224 Ca 0.00 -0.07 -0.18 0.00 -2.02 0.00 0.00 58.31 56.04 1rm3 n LYS 224 Cb 0.13 -1.62 -0.12 0.00 -0.02 0.00 0.00 35.03 33.40 1rm3 n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rm3 s LEU 225 N -4.65 2.33 0.27 -0.35 1.43 -1.26 -0.83 118.68 115.62 1rm3 s LEU 225 Ca -0.04 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 1rm3 s LEU 225 Cb 0.13 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.78 1rm3 s LEU 225 CO 0.86 -0.10 0.32 0.21 0.23 0.00 0.00 176.35 177.87 1rm3 s ASN 226 N -2.05 0.52 -0.09 2.29 3.84 -1.02 -4.31 114.94 114.13 1rm3 s ASN 226 Ca 0.03 -1.36 -0.31 0.00 0.21 0.00 0.00 52.86 51.43 1rm3 s ASN 226 Cb -0.08 0.53 0.11 0.00 -0.55 0.00 0.00 41.25 41.25 1rm3 s ASN 226 CO 0.03 -1.06 1.38 -0.83 -2.79 0.00 0.00 177.10 173.82 1rm3 s GLY 227 N -3.18 -0.25 0.23 1.21 0.00 -1.26 -1.46 107.32 102.61 1rm3 s GLY 227 Ca 0.33 0.28 -0.02 0.00 0.00 0.00 0.00 44.72 45.31 1rm3 s GLY 227 CO 0.16 5.74 0.22 -0.26 0.00 0.00 0.00 173.10 178.97 1rm3 s ILE 228 N -2.01 0.00 0.07 0.90 -4.36 -0.66 -4.43 121.20 110.71 1rm3 s ILE 228 Ca 0.29 -1.87 0.06 0.00 -0.26 0.00 0.00 60.65 58.87 1rm3 s ILE 228 Cb 0.01 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.24 1rm3 s ILE 228 CO -0.03 0.00 -0.17 0.00 0.24 0.00 0.00 174.94 174.98 1rm3 s ALA 229 N -4.01 1.45 -0.27 2.27 0.00 0.39 -2.12 121.76 119.47 1rm3 s ALA 229 Ca 0.36 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1rm3 s ALA 229 Cb 0.05 -0.20 0.08 0.00 0.00 0.00 0.00 23.12 23.05 1rm3 s ALA 229 CO 0.13 0.27 0.01 -0.51 0.00 0.00 0.00 175.76 175.67 1rm3 s LEU 230 N -1.57 2.86 0.07 0.00 1.43 0.81 -0.42 118.68 121.87 1rm3 s LEU 230 Ca 0.03 -1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 51.35 1rm3 s LEU 230 Cb -0.09 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.92 1rm3 s LEU 230 CO 0.03 -0.31 1.01 -0.13 0.23 0.00 0.00 176.35 177.17 1rm3 s ARG 231 N 1.37 4.60 0.28 1.70 1.81 -0.08 -0.30 118.95 128.34 1rm3 s ARG 231 Ca 0.02 1.51 0.05 0.00 -1.72 0.00 0.00 55.73 55.59 1rm3 s ARG 231 Cb -0.18 -3.39 -0.06 0.00 -0.45 0.00 0.00 34.95 30.87 1rm3 s ARG 231 CO -0.11 0.04 -0.02 0.14 -0.68 0.00 0.00 175.30 174.66 1rm3 s VAL 232 N 0.48 1.42 -0.20 3.52 -7.23 0.55 0.80 120.40 119.75 1rm3 s VAL 232 Ca 0.51 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1rm3 s VAL 232 Cb -0.24 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 1rm3 s VAL 232 CO 0.30 -0.25 1.69 -2.65 -0.31 0.00 0.00 175.10 173.87 1rm3 n PRO 233 N -0.57 0.95 -4.50 4.82 -0.02 -1.26 -2.87 135.00 131.55 1rm3 n PRO 233 Ca -0.05 -0.62 -0.22 0.00 -2.02 0.00 0.00 63.50 60.59 1rm3 n PRO 233 Cb 0.64 -1.88 -0.14 0.00 -0.02 0.00 0.00 33.50 32.10 1rm3 n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1rm3 s THR 234 N 2.80 1.25 -0.31 3.45 -4.23 -1.26 -5.01 115.64 112.33 1rm3 s THR 234 Ca 0.25 -0.95 0.26 0.00 -1.18 0.00 0.00 61.69 60.08 1rm3 s THR 234 Cb 0.10 -1.10 0.35 0.00 1.34 0.00 0.00 72.50 73.19 1rm3 s THR 234 CO -0.01 0.13 1.73 1.55 -0.54 0.00 0.00 174.62 177.49 1rm3 h PRO 235 N 5.13 0.00 -2.04 3.99 0.13 -1.87 -1.77 132.00 135.57 1rm3 h PRO 235 Ca -0.38 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.85 1rm3 h PRO 235 Cb 1.17 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 1rm3 h PRO 235 CO 0.45 0.00 0.51 1.21 -0.23 0.00 0.00 178.00 179.94 1rm3 s ASN 236 N -5.87 -0.37 0.00 1.44 2.47 -1.26 -4.69 114.94 106.65 1rm3 s ASN 236 Ca 0.05 0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.48 1rm3 s ASN 236 Cb 0.07 0.36 0.00 0.00 -1.45 0.00 0.00 41.25 40.23 1rm3 s ASN 236 CO 0.62 -0.53 0.00 0.52 -3.72 0.00 0.00 177.10 173.99 1rm3 n VAL 237 N 0.08 -0.84 -4.37 -5.21 0.31 -1.26 -4.90 118.33 102.14 1rm3 n VAL 237 Ca -0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.05 1rm3 n VAL 237 Cb 0.60 -0.84 -0.10 0.00 -0.91 0.00 0.00 33.84 32.59 1rm3 n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1rm3 s SER 238 N -0.38 1.65 -0.01 4.52 0.01 0.92 -3.96 113.70 116.44 1rm3 s SER 238 Ca 0.00 -1.39 0.01 0.00 1.31 0.00 0.00 55.95 55.88 1rm3 s SER 238 Cb 0.00 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.32 1rm3 s SER 238 CO 0.00 -0.69 -0.01 0.54 0.41 0.00 0.00 173.24 173.49 1rm3 s VAL 239 N -3.58 0.17 -0.15 3.43 0.11 -0.59 -1.00 120.40 118.79 1rm3 s VAL 239 Ca 0.37 -0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.34 1rm3 s VAL 239 Cb 0.08 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 1rm3 s VAL 239 CO 0.14 0.09 0.11 -0.69 -3.33 0.00 0.00 175.10 171.42 1rm3 s VAL 240 N 0.45 5.21 -0.37 2.04 1.01 0.23 -1.14 120.40 127.83 1rm3 s VAL 240 Ca -0.04 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1rm3 s VAL 240 Cb -0.07 -3.31 0.10 0.00 0.00 0.00 0.00 36.38 33.11 1rm3 s VAL 240 CO -0.01 0.54 0.10 -0.62 0.00 0.00 0.00 175.10 175.11 1rm3 s ASP 241 N -0.35 4.90 -0.17 3.32 -1.08 0.33 -1.44 116.67 122.17 1rm3 s ASP 241 Ca 0.11 -2.15 -0.07 0.00 -0.52 0.00 0.00 52.55 49.91 1rm3 s ASP 241 Cb -0.12 -1.69 -0.04 0.00 -1.46 0.00 0.00 42.92 39.62 1rm3 s ASP 241 CO 0.01 -0.42 0.05 -0.22 0.52 0.00 0.00 175.17 175.11 1rm3 s LEU 242 N 0.93 3.76 -0.15 -1.34 2.96 -0.08 -1.53 118.68 123.23 1rm3 s LEU 242 Ca 0.10 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 1rm3 s LEU 242 Cb -0.20 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1rm3 s LEU 242 CO -0.07 0.19 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.27 1rm3 s VAL 243 N 0.27 1.92 0.04 1.68 1.01 -0.08 -0.50 120.40 124.74 1rm3 s VAL 243 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1rm3 s VAL 243 Cb -0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1rm3 s VAL 243 CO 0.01 0.52 -0.07 0.68 0.00 0.00 0.00 175.10 176.24 1rm3 s VAL 244 N 1.02 0.45 -0.20 2.92 -7.23 -0.28 -0.84 120.40 116.24 1rm3 s VAL 244 Ca -0.03 -1.08 -0.10 0.00 -1.81 0.00 0.00 61.98 58.97 1rm3 s VAL 244 Cb -0.15 -0.58 -0.05 0.00 0.56 0.00 0.00 36.38 36.17 1rm3 s VAL 244 CO -0.05 -0.43 0.12 -1.58 -0.31 0.00 0.00 175.10 172.85 1rm3 s GLN 245 N -1.65 4.17 0.33 4.82 0.74 -0.07 -0.45 119.66 127.54 1rm3 s GLN 245 Ca -0.10 -0.23 0.09 0.00 0.05 0.00 0.00 55.36 55.16 1rm3 s GLN 245 Cb -0.09 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.57 1rm3 s GLN 245 CO -0.00 0.30 0.05 0.14 -0.55 0.00 0.00 175.29 175.23 1rm3 s VAL 246 N 0.35 2.88 0.02 1.34 -7.23 0.20 -0.37 120.40 117.58 1rm3 s VAL 246 Ca 0.08 -1.87 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 1rm3 s VAL 246 Cb -0.11 -2.86 -0.33 0.00 0.56 0.00 0.00 36.38 33.64 1rm3 s VAL 246 CO -0.02 -0.22 1.01 0.28 -0.31 0.00 0.00 175.10 175.85 1rm3 h SER 247 N 1.73 0.79 -3.46 4.85 0.02 -0.56 -3.45 113.55 113.48 1rm3 h SER 247 Ca -0.43 -0.89 -0.60 0.00 -0.84 0.00 0.00 61.79 59.02 1rm3 h SER 247 Cb 1.25 -0.26 -0.10 0.00 0.14 0.00 0.00 62.40 63.43 1rm3 h SER 247 CO 0.65 1.62 0.08 -0.75 -1.14 0.00 0.00 176.83 177.29 1rm3 s LYS 248 N -2.70 4.17 0.54 3.45 2.20 -0.95 -5.04 119.74 121.41 1rm3 s LYS 248 Ca -0.10 0.52 -0.22 0.00 -0.36 0.00 0.00 55.97 55.82 1rm3 s LYS 248 Cb 0.04 -3.60 -0.06 0.00 -1.51 0.00 0.00 37.83 32.70 1rm3 s LYS 248 CO 0.92 -0.27 1.28 1.63 -0.36 0.00 0.00 175.35 178.55 1rm3 n LYS 249 N 5.19 1.59 -1.09 4.03 5.02 -1.26 -4.88 118.16 126.76 1rm3 n LYS 249 Ca -0.02 0.58 -0.00 0.00 -2.02 0.00 0.00 58.31 56.85 1rm3 n LYS 249 Cb 0.50 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1rm3 n LYS 249 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1rm3 n THR 250 N -1.02 0.00 -3.78 -0.18 5.66 -0.23 -5.03 114.28 109.70 1rm3 n THR 250 Ca 0.10 -0.01 -0.09 0.00 -3.05 0.00 0.00 64.05 61.00 1rm3 n THR 250 Cb 0.44 0.01 -0.06 0.00 -1.55 0.00 0.00 70.33 69.17 1rm3 n THR 250 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1rm3 s PHE 251 N -8.51 0.03 0.19 1.09 -0.71 -1.26 -4.64 117.98 104.17 1rm3 s PHE 251 Ca 0.00 -0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 55.23 1rm3 s PHE 251 Cb -0.00 0.06 0.08 0.00 -1.21 0.00 0.00 43.02 41.95 1rm3 s PHE 251 CO 0.00 -0.61 1.55 0.00 -1.34 0.00 0.00 175.22 174.82 1rm3 h ALA 252 N 2.60 -0.22 0.00 1.99 0.00 -1.88 -0.85 119.26 120.90 1rm3 h ALA 252 Ca -0.34 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1rm3 h ALA 252 Cb 1.22 1.13 -0.01 0.00 0.00 0.00 0.00 17.79 20.14 1rm3 h ALA 252 CO 0.52 -0.80 -0.24 0.93 0.00 0.00 0.00 179.25 179.67 1rm3 h GLU 253 N -0.06 0.00 -0.24 0.00 4.39 -1.95 -1.59 114.58 115.13 1rm3 h GLU 253 Ca 0.24 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.80 1rm3 h GLU 253 Cb 0.52 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1rm3 h GLU 253 CO -0.90 0.24 -0.39 1.49 -1.16 0.00 0.00 179.01 178.28 1rm3 h GLU 254 N 0.00 0.69 -0.28 2.33 4.81 -1.61 -1.56 114.58 118.97 1rm3 h GLU 254 Ca -0.00 -0.42 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 1rm3 h GLU 254 Cb 0.53 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1rm3 h GLU 254 CO 0.03 1.04 0.12 0.28 -0.73 0.00 0.00 179.01 179.75 1rm3 h VAL 255 N 0.41 0.97 -0.70 0.32 2.07 -0.99 -0.87 116.25 117.45 1rm3 h VAL 255 Ca 0.02 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1rm3 h VAL 255 Cb 0.99 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1rm3 h VAL 255 CO 0.09 0.05 0.44 0.78 0.02 0.00 0.00 177.57 178.95 1rm3 h ASN 256 N 0.26 0.73 -0.38 0.57 -0.26 -1.23 -1.76 115.58 113.51 1rm3 h ASN 256 Ca 0.12 -0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.81 1rm3 h ASN 256 Cb 0.06 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1rm3 h ASN 256 CO -0.10 0.51 0.08 0.00 -1.06 0.00 0.00 177.43 176.86 1rm3 h ALA 257 N 1.29 1.28 -0.81 -0.83 0.00 -0.86 -0.45 119.26 118.88 1rm3 h ALA 257 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1rm3 h ALA 257 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1rm3 h ALA 257 CO -0.10 0.50 0.43 0.00 0.00 0.00 0.00 179.25 180.08 1rm3 h ALA 258 N 1.41 1.04 -0.48 0.00 0.00 -0.35 -0.67 119.26 120.21 1rm3 h ALA 258 Ca 0.15 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1rm3 h ALA 258 Cb 0.31 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1rm3 h ALA 258 CO 0.00 0.56 -0.05 0.74 0.00 0.00 0.00 179.25 180.51 1rm3 h PHE 259 N 1.13 0.97 -0.64 0.00 0.04 -0.54 -2.90 116.94 114.99 1rm3 h PHE 259 Ca 0.28 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1rm3 h PHE 259 Cb 0.05 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 1rm3 h PHE 259 CO 0.01 0.93 0.37 0.00 -0.60 0.00 0.00 178.31 179.02 1rm3 h ARG 260 N 0.72 0.89 -0.51 1.51 3.08 -0.69 0.19 114.38 119.58 1rm3 h ARG 260 Ca 0.13 -0.09 0.08 0.00 0.07 0.00 0.00 59.98 60.16 1rm3 h ARG 260 Cb 0.58 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1rm3 h ARG 260 CO 0.03 0.65 0.16 0.93 -1.07 0.00 0.00 179.97 180.68 1rm3 h GLU 261 N 0.87 0.32 -0.20 0.04 5.08 -1.05 0.08 114.58 119.72 1rm3 h GLU 261 Ca 0.23 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1rm3 h GLU 261 Cb 0.01 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1rm3 h GLU 261 CO -0.04 0.21 -0.21 0.77 -1.00 0.00 0.00 179.01 178.75 1rm3 h SER 262 N 0.33 0.54 -0.70 1.42 0.02 -1.26 -2.38 113.55 111.52 1rm3 h SER 262 Ca 0.25 -0.48 0.16 0.00 -0.84 0.00 0.00 61.79 60.88 1rm3 h SER 262 Cb 0.30 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1rm3 h SER 262 CO -0.28 0.90 0.48 0.00 -1.14 0.00 0.00 176.83 176.79 1rm3 h ALA 263 N 0.65 2.27 0.00 3.77 0.00 -0.05 0.40 119.26 126.30 1rm3 h ALA 263 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rm3 h ALA 263 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1rm3 h ALA 263 CO 0.05 -0.47 -0.65 -0.44 0.00 0.00 0.00 179.25 177.75 1rm3 h ASP 264 N 0.27 0.00 0.00 0.00 3.32 -0.87 -3.05 116.42 116.08 1rm3 h ASP 264 Ca 0.34 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1rm3 h ASP 264 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1rm3 h ASP 264 CO -0.08 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 178.06 1rm3 n ASN 265 N -2.59 0.00 0.25 6.45 4.13 -0.05 -4.73 115.26 118.72 1rm3 n ASN 265 Ca 0.02 0.00 0.18 0.00 1.68 0.00 0.00 54.58 56.46 1rm3 n ASN 265 Cb 0.51 0.00 0.88 0.00 -1.54 0.00 0.00 39.78 39.63 1rm3 n ASN 265 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 1rm3 h GLU 266 N 0.00 0.00 -0.26 3.52 9.09 -1.81 -2.31 114.58 122.82 1rm3 h GLU 266 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1rm3 h GLU 266 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1rm3 h GLU 266 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 1rm3 n LEU 267 N -3.44 3.36 -4.69 3.06 4.77 -0.19 -4.95 117.00 114.91 1rm3 n LEU 267 Ca 0.01 -2.62 -0.42 0.00 -0.03 0.00 0.00 56.01 52.95 1rm3 n LEU 267 Cb 0.33 -0.40 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1rm3 n LEU 267 CO 0.23 0.69 1.46 -0.75 -1.33 0.00 0.00 177.39 177.68 1rm3 s LYS 268 N -2.10 4.14 0.00 3.23 2.20 -0.87 -0.66 119.74 125.68 1rm3 s LYS 268 Ca 0.33 2.59 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 1rm3 s LYS 268 Cb 0.24 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1rm3 s LYS 268 CO 0.10 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.67 1rm3 n GLY 269 N 4.20 2.03 0.59 5.54 0.00 -1.26 -4.82 105.19 111.46 1rm3 n GLY 269 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1rm3 n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rm3 n ILE 270 N -2.00 0.72 -4.52 -0.61 2.08 0.17 -4.12 119.36 111.08 1rm3 n ILE 270 Ca 0.00 -0.19 -0.31 0.00 0.56 0.00 0.00 62.75 62.82 1rm3 n ILE 270 Cb 0.00 -1.67 -0.12 0.00 -0.75 0.00 0.00 39.64 37.11 1rm3 n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1rm3 s LEU 271 N -6.70 2.84 0.04 1.39 2.96 0.13 -0.46 118.68 118.88 1rm3 s LEU 271 Ca -0.18 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1rm3 s LEU 271 Cb 0.07 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1rm3 s LEU 271 CO 0.23 0.25 0.06 -0.55 -1.32 0.00 0.00 176.35 175.02 1rm3 s SER 272 N -1.57 0.26 -0.13 3.68 0.15 0.21 -4.56 113.70 111.73 1rm3 s SER 272 Ca 0.16 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.17 1rm3 s SER 272 Cb -0.11 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1rm3 s SER 272 CO 0.07 -0.54 -0.16 -0.69 1.20 0.00 0.00 173.24 173.13 1rm3 s VAL 273 N -2.96 1.62 -0.18 4.45 1.01 -1.26 0.16 120.40 123.25 1rm3 s VAL 273 Ca -0.02 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1rm3 s VAL 273 Cb 0.01 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1rm3 s VAL 273 CO -0.06 0.47 -0.05 0.00 0.00 0.00 0.00 175.10 175.45 1rm3 n ASP 275 N 4.00 2.69 -4.82 0.00 8.00 -1.26 -1.84 116.55 123.32 1rm3 n ASP 275 Ca -0.18 -1.86 -0.35 0.00 0.71 0.00 0.00 54.79 53.11 1rm3 n ASP 275 Cb 0.52 0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.65 1rm3 n ASP 275 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1rm3 s GLU 276 N -2.10 4.23 -1.35 -1.24 0.41 -1.26 -4.85 118.70 112.54 1rm3 s GLU 276 Ca 0.27 0.91 -0.14 0.00 -0.41 0.00 0.00 54.97 55.60 1rm3 s GLU 276 Cb 0.20 -2.67 0.09 0.00 -1.78 0.00 0.00 34.13 29.97 1rm3 s GLU 276 CO 0.36 0.27 1.93 -0.35 -0.49 0.00 0.00 175.26 176.97 1rm3 n PRO 277 N 0.26 3.18 -2.66 0.39 -0.04 -1.26 -4.95 135.00 129.91 1rm3 n PRO 277 Ca 0.01 -3.14 -0.22 0.00 -0.04 0.00 0.00 63.50 60.10 1rm3 n PRO 277 Cb 0.52 -3.22 0.08 0.00 -0.04 0.00 0.00 33.50 30.84 1rm3 n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rm3 s LEU 278 N 2.07 3.07 0.32 1.53 1.43 -1.26 -5.14 118.68 120.70 1rm3 s LEU 278 Ca 0.46 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1rm3 s LEU 278 Cb 0.08 -2.15 -0.06 0.00 0.03 0.00 0.00 46.19 44.10 1rm3 s LEU 278 CO -0.02 -1.61 0.07 0.68 0.23 0.00 0.00 176.35 175.70 1rm3 s VAL 279 N -2.98 1.10 0.22 -1.59 -7.23 -1.26 -5.06 120.40 103.60 1rm3 s VAL 279 Ca 0.63 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.67 1rm3 s VAL 279 Cb -0.07 -2.76 0.26 0.00 0.56 0.00 0.00 36.38 34.38 1rm3 s VAL 279 CO 0.42 0.00 1.62 0.77 -0.31 0.00 0.00 175.10 177.60 1rm3 h SER 280 N 2.12 -0.65 -0.60 4.85 4.64 -1.98 -1.11 113.55 120.81 1rm3 h SER 280 Ca -0.40 0.21 0.17 0.00 -0.47 0.00 0.00 61.79 61.30 1rm3 h SER 280 Cb 1.25 0.43 -0.02 0.00 -0.31 0.00 0.00 62.40 63.74 1rm3 h SER 280 CO 0.68 -0.23 0.43 -0.29 -0.87 0.00 0.00 176.83 176.56 1rm3 h ILE 281 N -0.01 0.70 0.00 0.95 6.09 -1.97 0.08 117.51 123.35 1rm3 h ILE 281 Ca 0.32 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.81 1rm3 h ILE 281 Cb 0.50 0.70 0.00 0.00 0.47 0.00 0.00 36.82 38.49 1rm3 h ILE 281 CO -0.70 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 174.85 1rm3 n ASP 282 N -4.36 0.37 -1.08 2.19 8.00 -0.42 -2.60 116.55 118.66 1rm3 n ASP 282 Ca 0.11 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.33 1rm3 n ASP 282 Cb 0.68 -0.68 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 1rm3 n ASP 282 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1rm3 n PHE 283 N -1.92 0.36 -1.89 1.24 3.72 0.01 -4.97 117.46 114.01 1rm3 n PHE 283 Ca 0.02 -0.19 -0.40 0.00 -0.05 0.00 0.00 57.45 56.84 1rm3 n PHE 283 Cb 0.18 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1rm3 n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1rm3 s ARG 284 N -1.58 3.91 -1.58 -1.08 0.52 -1.07 -2.64 118.95 115.43 1rm3 s ARG 284 Ca 0.35 2.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.93 1rm3 s ARG 284 Cb 0.21 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.89 1rm3 s ARG 284 CO 0.30 -0.61 0.00 0.00 0.02 0.00 0.00 175.30 175.01 1rm3 s THR 286 N -2.72 4.60 -0.04 0.00 -4.23 -1.08 -4.97 115.64 107.21 1rm3 s THR 286 Ca 0.00 1.61 0.18 0.00 -1.18 0.00 0.00 61.69 62.31 1rm3 s THR 286 Cb 0.00 -4.10 0.14 0.00 1.34 0.00 0.00 72.50 69.88 1rm3 s THR 286 CO 0.00 0.44 1.61 0.44 -0.54 0.00 0.00 174.62 176.57 1rm3 h ASP 287 N 5.08 0.00 -4.27 3.99 3.32 -1.93 -3.33 116.42 119.28 1rm3 h ASP 287 Ca -0.46 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.08 1rm3 h ASP 287 Cb 1.21 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.87 1rm3 h ASP 287 CO 0.68 0.38 0.35 0.68 -1.72 0.00 0.00 179.24 179.61 1rm3 s VAL 288 N -3.27 3.46 0.01 -1.35 -7.23 -1.26 -4.82 120.40 105.95 1rm3 s VAL 288 Ca 0.03 0.55 0.10 0.00 -1.81 0.00 0.00 61.98 60.85 1rm3 s VAL 288 Cb 0.09 -3.09 -0.12 0.00 0.56 0.00 0.00 36.38 33.81 1rm3 s VAL 288 CO 0.70 -0.54 1.27 0.28 -0.31 0.00 0.00 175.10 176.50 1rm3 h SER 289 N -0.55 0.00 -3.59 4.85 0.02 -0.97 -3.44 113.55 109.87 1rm3 h SER 289 Ca -0.45 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.39 1rm3 h SER 289 Cb 1.23 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.52 1rm3 h SER 289 CO 0.54 0.83 -0.24 -0.55 -1.14 0.00 0.00 176.83 176.27 1rm3 s SER 290 N -6.55 -0.49 -0.19 3.07 0.15 -0.83 -4.12 113.70 104.74 1rm3 s SER 290 Ca 0.01 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1rm3 s SER 290 Cb 0.09 0.85 0.04 0.00 -1.71 0.00 0.00 66.02 65.30 1rm3 s SER 290 CO 0.80 -0.17 -0.08 -0.89 1.20 0.00 0.00 173.24 174.10 1rm3 s THR 291 N 0.75 1.42 0.08 6.45 2.01 -0.06 -0.62 115.64 125.66 1rm3 s THR 291 Ca -0.04 -0.87 -0.31 0.00 0.31 0.00 0.00 61.69 60.78 1rm3 s THR 291 Cb -0.05 -1.55 -0.06 0.00 0.01 0.00 0.00 72.50 70.85 1rm3 s THR 291 CO -0.05 0.13 1.20 -0.63 -0.69 0.00 0.00 174.62 174.57 1rm3 s ILE 292 N 1.49 3.98 -0.95 1.82 -1.09 0.12 0.21 121.20 126.79 1rm3 s ILE 292 Ca -0.01 1.44 -0.18 0.00 -2.23 0.00 0.00 60.65 59.68 1rm3 s ILE 292 Cb -0.16 -3.93 0.14 0.00 -1.58 0.00 0.00 42.46 36.93 1rm3 s ILE 292 CO -0.08 0.13 1.13 -0.62 -1.23 0.00 0.00 174.94 174.27 1rm3 s ASP 293 N 0.94 6.67 0.37 3.58 -1.08 0.22 -0.26 116.67 127.12 1rm3 s ASP 293 Ca 0.58 -2.16 0.17 0.00 -0.52 0.00 0.00 52.55 50.61 1rm3 s ASP 293 Cb -0.30 -2.39 1.08 0.00 -1.46 0.00 0.00 42.92 39.85 1rm3 s ASP 293 CO 0.30 -1.00 1.73 0.77 0.52 0.00 0.00 175.17 177.49 1rm3 h SER 294 N 8.63 0.50 0.75 -0.34 4.64 -1.66 -0.71 113.55 125.35 1rm3 h SER 294 Ca 0.17 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1rm3 h SER 294 Cb 1.01 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1rm3 h SER 294 CO 1.09 0.04 0.00 -1.54 -0.87 0.00 0.00 176.83 175.55 1rm3 n SER 295 N -4.75 0.02 0.01 4.97 3.41 -1.26 -2.83 113.62 113.18 1rm3 n SER 295 Ca 0.28 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.50 1rm3 n SER 295 Cb 0.91 -0.51 0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1rm3 n SER 295 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rm3 n LEU 296 N -1.52 0.68 -4.73 1.04 4.77 -0.28 -4.93 117.00 112.03 1rm3 n LEU 296 Ca 0.05 -0.16 -0.42 0.00 -0.03 0.00 0.00 56.01 55.45 1rm3 n LEU 296 Cb 0.25 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1rm3 n LEU 296 CO 0.20 0.12 1.32 -0.89 -1.33 0.00 0.00 177.39 176.81 1rm3 s THR 297 N -3.10 2.09 0.04 -5.08 2.01 -1.13 -4.78 115.64 105.69 1rm3 s THR 297 Ca 0.06 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.14 1rm3 s THR 297 Cb 0.16 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1rm3 s THR 297 CO 0.80 0.01 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.65 1rm3 s MET 298 N 0.57 0.49 -0.07 4.92 -1.94 -0.82 -4.85 119.30 117.61 1rm3 s MET 298 Ca 0.70 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.84 1rm3 s MET 298 Cb -0.49 -0.03 0.02 0.00 2.01 0.00 0.00 34.83 36.34 1rm3 s MET 298 CO 0.38 -0.03 -0.06 0.08 -0.01 0.00 0.00 175.02 175.38 1rm3 s VAL 299 N -2.14 0.71 -0.08 -6.03 1.01 -1.26 -0.52 120.40 112.09 1rm3 s VAL 299 Ca -0.07 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.76 1rm3 s VAL 299 Cb -0.05 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1rm3 s VAL 299 CO -0.03 0.28 -0.13 -0.04 0.00 0.00 0.00 175.10 175.19 1rm3 s MET 300 N 1.20 2.89 -1.28 2.72 -1.94 0.09 -4.63 119.30 118.34 1rm3 s MET 300 Ca -0.06 -0.67 -0.02 0.00 -1.71 0.00 0.00 55.69 53.23 1rm3 s MET 300 Cb -0.14 -2.51 0.01 0.00 2.01 0.00 0.00 34.83 34.20 1rm3 s MET 300 CO -0.02 0.47 0.15 0.41 -0.01 0.00 0.00 175.02 176.02 1rm3 n GLY 301 N 2.79 -0.50 4.56 -0.03 0.00 -1.26 -1.91 105.19 108.84 1rm3 n GLY 301 Ca -0.18 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1rm3 n GLY 301 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rm3 n ASP 302 N -2.01 0.00 0.00 1.61 8.00 -1.26 -4.55 116.55 118.34 1rm3 n ASP 302 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1rm3 n ASP 302 Cb 0.62 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1rm3 n ASP 302 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1rm3 n ASP 303 N 0.00 0.60 -4.21 -2.24 5.68 -1.16 -1.07 116.55 114.16 1rm3 n ASP 303 Ca 0.00 -1.27 -0.38 0.00 -0.50 0.00 0.00 54.79 52.64 1rm3 n ASP 303 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 1rm3 n ASP 303 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 1rm3 s MET 304 N -0.27 2.40 -0.16 0.11 1.75 -0.80 -0.63 119.30 121.70 1rm3 s MET 304 Ca 0.00 -1.54 -0.11 0.00 -1.25 0.00 0.00 55.69 52.79 1rm3 s MET 304 Cb 0.00 -3.63 -0.05 0.00 2.84 0.00 0.00 34.83 33.99 1rm3 s MET 304 CO 0.00 -0.94 0.22 0.08 -0.65 0.00 0.00 175.02 173.73 1rm3 s VAL 305 N 1.31 5.36 -0.19 10.11 1.01 0.40 -0.73 120.40 137.67 1rm3 s VAL 305 Ca 0.03 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.38 1rm3 s VAL 305 Cb -0.22 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1rm3 s VAL 305 CO -0.00 0.46 -0.14 -0.75 0.00 0.00 0.00 175.10 174.66 1rm3 s LYS 306 N 0.09 3.14 -0.02 2.72 2.20 0.32 -1.12 119.74 127.08 1rm3 s LYS 306 Ca 0.14 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 1rm3 s LYS 306 Cb -0.12 -2.73 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 1rm3 s LYS 306 CO 0.02 -0.19 -0.24 0.08 -0.36 0.00 0.00 175.35 174.66 1rm3 s VAL 307 N 1.33 1.90 -0.19 4.02 1.01 0.35 -1.95 120.40 126.87 1rm3 s VAL 307 Ca 0.05 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1rm3 s VAL 307 Cb -0.14 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1rm3 s VAL 307 CO -0.09 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 174.74 1rm3 s ILE 308 N -0.51 2.18 -0.05 2.22 -1.09 -1.26 -0.90 121.20 121.79 1rm3 s ILE 308 Ca 0.08 -0.97 0.03 0.00 -2.23 0.00 0.00 60.65 57.55 1rm3 s ILE 308 Cb -0.10 -1.96 0.01 0.00 -1.58 0.00 0.00 42.46 38.83 1rm3 s ILE 308 CO -0.00 0.48 -0.12 0.00 -1.23 0.00 0.00 174.94 174.06 1rm3 s ALA 309 N 1.29 1.23 0.32 9.38 0.00 -0.52 -0.61 121.76 132.84 1rm3 s ALA 309 Ca 0.04 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1rm3 s ALA 309 Cb -0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1rm3 s ALA 309 CO -0.11 0.15 0.61 -1.58 0.00 0.00 0.00 175.76 174.82 1rm3 s TRP 310 N 0.46 3.47 -0.28 0.00 0.52 0.13 -0.60 118.94 122.65 1rm3 s TRP 310 Ca -0.10 0.74 -0.20 0.00 0.02 0.00 0.00 56.10 56.55 1rm3 s TRP 310 Cb -0.14 -2.18 0.09 0.00 -1.15 0.00 0.00 33.47 30.09 1rm3 s TRP 310 CO 0.03 0.11 0.77 1.52 0.02 0.00 0.00 176.95 179.39 1rm3 s TYR 311 N -2.15 -0.86 -0.81 -1.98 1.13 -0.17 -0.88 117.35 111.64 1rm3 s TYR 311 Ca 0.46 1.86 -0.24 0.00 -1.41 0.00 0.00 57.07 57.73 1rm3 s TYR 311 Cb -0.11 0.45 0.06 0.00 -1.10 0.00 0.00 41.96 41.26 1rm3 s TYR 311 CO 0.30 -0.42 1.23 0.34 -2.51 0.00 0.00 175.55 174.49 1rm3 s ASP 312 N 1.00 6.29 0.49 -0.18 -1.08 -1.26 -0.06 116.67 121.87 1rm3 s ASP 312 Ca -0.05 -0.98 0.23 0.00 -0.52 0.00 0.00 52.55 51.23 1rm3 s ASP 312 Cb -0.05 -2.51 1.28 0.00 -1.46 0.00 0.00 42.92 40.18 1rm3 s ASP 312 CO -0.10 -1.58 1.93 -0.55 0.52 0.00 0.00 175.17 175.38 1rm3 h ASN 313 N 9.74 0.16 0.00 -0.34 -1.07 -1.91 -0.51 115.58 121.65 1rm3 h ASN 313 Ca -0.12 0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.26 1rm3 h ASN 313 Cb 1.04 -0.02 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 1rm3 h ASN 313 CO 1.27 0.07 -0.12 -0.33 0.07 0.00 0.00 177.43 178.40 1rm3 h GLU 314 N 0.17 0.00 -0.04 4.14 5.08 -1.97 -3.35 114.58 118.60 1rm3 h GLU 314 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1rm3 h GLU 314 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1rm3 h GLU 314 CO -0.06 0.00 0.01 2.35 -1.00 0.00 0.00 179.01 180.31 1rm3 h TRP 315 N -0.43 0.08 -0.30 4.33 2.91 -1.92 -2.23 115.95 118.39 1rm3 h TRP 315 Ca 0.00 -0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.04 1rm3 h TRP 315 Cb 0.12 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 1rm3 h TRP 315 CO -0.05 0.30 0.09 0.78 -1.03 0.00 0.00 178.44 178.53 1rm3 h GLY 316 N -0.16 0.36 1.02 2.65 0.00 -1.20 -1.94 103.07 103.80 1rm3 h GLY 316 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1rm3 h GLY 316 CO 0.00 0.02 0.46 -1.82 0.00 0.00 0.00 176.54 175.21 1rm3 h TYR 317 N 0.22 1.11 -0.86 5.60 3.20 -1.59 -2.62 116.97 122.03 1rm3 h TYR 317 Ca 0.13 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1rm3 h TYR 317 Cb 0.11 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 37.98 1rm3 h TYR 317 CO -0.14 0.76 0.57 0.77 -1.64 0.00 0.00 178.16 178.48 1rm3 h SER 318 N 1.13 0.96 0.02 -2.11 0.02 -0.90 0.69 113.55 113.36 1rm3 h SER 318 Ca 0.29 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1rm3 h SER 318 Cb 0.01 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1rm3 h SER 318 CO -0.05 0.68 -0.15 1.56 -1.14 0.00 0.00 176.83 177.73 1rm3 h GLN 319 N 1.13 0.27 0.00 3.45 1.08 -1.01 -0.89 115.11 119.13 1rm3 h GLN 319 Ca 0.33 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.35 1rm3 h GLN 319 Cb -0.07 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1rm3 h GLN 319 CO -0.08 0.42 -0.54 0.00 -0.95 0.00 0.00 178.83 177.68 1rm3 h ARG 320 N 0.25 0.00 -0.19 1.46 2.47 -0.66 -1.04 114.38 116.67 1rm3 h ARG 320 Ca 0.05 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 1rm3 h ARG 320 Cb 0.42 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.74 1rm3 h ARG 320 CO 0.03 0.54 -0.09 0.28 0.56 0.00 0.00 179.97 181.28 1rm3 h VAL 321 N 0.00 1.31 -0.77 2.04 2.07 0.20 -1.32 116.25 119.77 1rm3 h VAL 321 Ca -0.01 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1rm3 h VAL 321 Cb 0.97 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 1rm3 h VAL 321 CO 0.07 0.35 0.49 0.58 0.02 0.00 0.00 177.57 179.08 1rm3 h VAL 322 N 0.09 1.21 -0.46 2.57 2.07 -1.12 -0.32 116.25 120.28 1rm3 h VAL 322 Ca 0.04 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1rm3 h VAL 322 Cb 0.58 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1rm3 h VAL 322 CO 0.03 0.21 0.28 0.44 0.02 0.00 0.00 177.57 178.54 1rm3 h ASP 323 N 1.05 0.56 -0.49 0.57 3.32 -1.01 0.33 116.42 120.74 1rm3 h ASP 323 Ca 0.28 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1rm3 h ASP 323 Cb -0.09 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1rm3 h ASP 323 CO -0.06 0.45 -0.07 0.25 -1.72 0.00 0.00 179.24 178.09 1rm3 h LEU 324 N 0.62 0.94 -0.94 1.55 5.85 -0.95 -1.19 115.31 121.19 1rm3 h LEU 324 Ca 0.17 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.53 1rm3 h LEU 324 Cb -0.01 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1rm3 h LEU 324 CO -0.03 1.03 0.03 0.00 -0.34 0.00 0.00 178.44 179.13 1rm3 h ALA 325 N 1.05 1.12 -0.61 1.25 0.00 -0.61 -1.47 119.26 119.99 1rm3 h ALA 325 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1rm3 h ALA 325 Cb 0.60 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1rm3 h ALA 325 CO 0.04 0.57 0.29 -0.44 0.00 0.00 0.00 179.25 179.70 1rm3 h ASP 326 N 0.76 0.81 -0.68 0.00 5.19 0.10 -2.00 116.42 120.58 1rm3 h ASP 326 Ca 0.15 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1rm3 h ASP 326 Cb 0.42 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 1rm3 h ASP 326 CO 0.02 0.72 0.42 0.40 -3.12 0.00 0.00 179.24 177.68 1rm3 h ILE 327 N 0.84 1.19 -0.56 0.35 2.04 -0.70 -1.36 117.51 119.32 1rm3 h ILE 327 Ca 0.21 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1rm3 h ILE 327 Cb 0.13 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1rm3 h ILE 327 CO -0.02 0.20 0.34 0.58 0.00 0.00 0.00 178.15 179.24 1rm3 h VAL 328 N 0.93 1.16 0.00 1.67 2.07 -0.87 -0.64 116.25 120.56 1rm3 h VAL 328 Ca 0.25 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.29 1rm3 h VAL 328 Cb -0.04 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1rm3 h VAL 328 CO -0.05 0.16 -0.63 0.00 0.02 0.00 0.00 177.57 177.08 1rm3 h ALA 329 N 1.61 0.80 0.00 1.67 0.00 -0.69 -3.09 119.26 119.55 1rm3 h ALA 329 Ca 0.20 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1rm3 h ALA 329 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1rm3 h ALA 329 CO -0.04 0.78 -0.69 -0.91 0.00 0.00 0.00 179.25 178.40 1rm3 h ASN 330 N 0.00 0.00 -0.74 0.00 2.35 -0.43 -3.31 115.58 113.44 1rm3 h ASN 330 Ca -0.01 -0.03 -0.53 0.00 -0.55 0.00 0.00 56.30 55.19 1rm3 h ASN 330 Cb 1.24 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 39.25 1rm3 h ASN 330 CO 0.08 0.01 -0.40 0.29 -1.65 0.00 0.00 177.43 175.76 1rm3 n LYS 331 N -2.70 3.22 -3.51 0.81 4.76 -0.33 -5.03 118.16 115.38 1rm3 n LYS 331 Ca 0.02 -3.88 -0.38 0.00 -2.87 0.00 0.00 58.31 51.19 1rm3 n LYS 331 Cb 0.53 -2.22 -0.06 0.00 -1.84 0.00 0.00 35.03 31.43 1rm3 n LYS 331 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 1rm3 s TRP 332 N -3.61 3.71 0.00 2.13 -0.11 -1.17 -3.93 118.94 115.96 1rm3 s TRP 332 Ca 0.53 0.96 0.00 0.00 1.22 0.00 0.00 56.10 58.81 1rm3 s TRP 332 Cb 0.43 -2.28 0.00 0.00 -1.50 0.00 0.00 33.47 30.11 1rm3 s TRP 332 CO 0.02 0.62 0.00 0.94 -4.62 0.00 0.00 176.95 173.92