#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rmm n LYS 3 N 0.00 0.00 0.00 -1.46 4.81 -1.26 -4.04 118.16 116.21 1rmm n LYS 3 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1rmm n LYS 3 Cb 0.00 -0.60 0.04 0.00 0.02 0.00 0.00 35.03 34.50 1rmm n LYS 3 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1rmm n GLY 4 N 0.25 -0.43 0.28 3.14 0.00 -1.24 -3.63 105.19 103.55 1rmm n GLY 4 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1rmm n GLY 4 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rmm h GLU 5 N 0.00 0.30 0.00 1.61 4.81 -1.73 0.12 114.58 119.69 1rmm h GLU 5 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1rmm h GLU 5 Cb 0.02 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1rmm h GLU 5 CO 0.00 0.20 0.00 1.05 -0.73 0.00 0.00 179.01 179.53 1rmm h GLU 6 N 0.31 0.00 0.00 1.92 4.11 -1.81 -2.12 114.58 116.99 1rmm h GLU 6 Ca 0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.88 1rmm h GLU 6 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1rmm h GLU 6 CO -0.52 0.00 0.00 1.28 0.07 0.00 0.00 179.01 179.84 1rmm n LEU 7 N -2.85 0.45 -0.65 3.06 4.32 0.40 -3.34 117.00 118.39 1rmm n LEU 7 Ca -0.01 0.58 0.08 0.00 -0.02 0.00 0.00 56.01 56.64 1rmm n LEU 7 Cb 0.13 -0.49 0.20 0.00 -1.62 0.00 0.00 43.42 41.65 1rmm n LEU 7 CO 0.20 -0.32 0.66 0.49 -1.22 0.00 0.00 177.39 177.20 1rmm n PHE 8 N -1.96 0.63 0.23 -1.77 3.72 -0.80 -4.65 117.46 112.86 1rmm n PHE 8 Ca 0.04 -0.82 0.10 0.00 -0.05 0.00 0.00 57.45 56.72 1rmm n PHE 8 Cb 0.28 -0.22 0.51 0.00 -0.94 0.00 0.00 39.48 39.10 1rmm n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1rmm h THR 9 N 1.40 0.65 -3.05 4.37 1.35 -1.68 -3.39 112.91 112.57 1rmm h THR 9 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1rmm h THR 9 Cb 1.19 1.68 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1rmm h THR 9 CO 0.13 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 1rmm n GLY 10 N -0.10 6.38 3.70 5.82 0.00 -1.26 -4.85 105.19 114.89 1rmm n GLY 10 Ca -0.01 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1rmm n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rmm s VAL 11 N 1.15 4.97 -0.12 1.61 1.01 -1.26 -4.50 120.40 123.26 1rmm s VAL 11 Ca 0.00 1.58 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 1rmm s VAL 11 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 1rmm s VAL 11 CO 0.00 0.17 -0.12 -0.69 0.00 0.00 0.00 175.10 174.46 1rmm s VAL 12 N 1.25 3.20 0.40 2.92 1.01 -0.36 -4.94 120.40 123.88 1rmm s VAL 12 Ca 0.40 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 1rmm s VAL 12 Cb -0.18 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 1rmm s VAL 12 CO 0.18 0.53 1.08 -2.16 0.00 0.00 0.00 175.10 174.72 1rmm s PRO 13 N 0.20 4.12 -0.00 2.72 0.04 -1.26 -1.16 135.00 139.67 1rmm s PRO 13 Ca -0.07 1.59 0.08 0.00 0.04 0.00 0.00 61.00 62.63 1rmm s PRO 13 Cb -0.15 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.81 1rmm s PRO 13 CO 0.05 -0.19 -0.25 0.42 0.04 0.00 0.00 177.00 177.07 1rmm s ILE 14 N -1.60 1.95 -0.08 0.56 1.01 0.66 -1.07 121.20 122.62 1rmm s ILE 14 Ca 0.58 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1rmm s ILE 14 Cb -0.24 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1rmm s ILE 14 CO 0.30 0.49 -0.10 -0.22 0.00 0.00 0.00 174.94 175.41 1rmm s LEU 15 N -0.73 1.43 -0.10 2.97 0.20 -0.38 -2.15 118.68 119.92 1rmm s LEU 15 Ca 0.10 -0.29 0.03 0.00 0.69 0.00 0.00 54.13 54.66 1rmm s LEU 15 Cb -0.09 -0.81 -0.01 0.00 -0.43 0.00 0.00 46.19 44.85 1rmm s LEU 15 CO -0.00 -0.04 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.14 1rmm s VAL 16 N 1.13 2.56 -0.11 1.68 1.01 0.74 -1.33 120.40 126.08 1rmm s VAL 16 Ca -0.06 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.07 1rmm s VAL 16 Cb -0.14 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1rmm s VAL 16 CO -0.02 0.55 -0.12 -1.61 0.00 0.00 0.00 175.10 173.90 1rmm s GLU 17 N 0.11 1.93 -0.04 2.72 0.41 -0.34 -0.70 118.70 122.80 1rmm s GLU 17 Ca -0.09 -0.45 0.01 0.00 -0.41 0.00 0.00 54.97 54.04 1rmm s GLU 17 Cb -0.15 -1.74 0.02 0.00 -1.78 0.00 0.00 34.13 30.47 1rmm s GLU 17 CO 0.06 -0.13 -0.06 -1.17 -0.49 0.00 0.00 175.26 173.47 1rmm s LEU 18 N 1.19 1.48 -0.16 1.80 0.20 -0.18 -0.01 118.68 123.01 1rmm s LEU 18 Ca -0.03 -0.15 -0.01 0.00 0.69 0.00 0.00 54.13 54.62 1rmm s LEU 18 Cb -0.14 -0.49 -0.01 0.00 -0.43 0.00 0.00 46.19 45.11 1rmm s LEU 18 CO -0.04 -0.02 -0.10 -1.81 -0.29 0.00 0.00 176.35 174.10 1rmm s ASP 19 N 0.70 4.15 0.15 3.68 1.01 -0.35 -1.35 116.67 124.67 1rmm s ASP 19 Ca -0.10 -0.33 0.05 0.00 0.71 0.00 0.00 52.55 52.88 1rmm s ASP 19 Cb -0.13 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.10 1rmm s ASP 19 CO 0.01 0.12 -0.11 -0.83 0.21 0.00 0.00 175.17 174.57 1rmm s GLY 20 N 0.65 1.11 -0.20 0.21 0.00 0.34 -0.69 107.32 108.73 1rmm s GLY 20 Ca -0.06 -1.50 -0.04 0.00 0.00 0.00 0.00 44.72 43.12 1rmm s GLY 20 CO 0.03 -1.60 0.29 -0.35 0.00 0.00 0.00 173.10 171.46 1rmm s ASP 21 N -3.15 0.74 -0.19 1.64 -1.08 -0.76 -1.19 116.67 112.68 1rmm s ASP 21 Ca 0.17 0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.35 1rmm s ASP 21 Cb 0.02 0.72 0.04 0.00 -1.46 0.00 0.00 42.92 42.24 1rmm s ASP 21 CO 0.01 -0.30 -0.12 -0.69 0.52 0.00 0.00 175.17 174.60 1rmm s VAL 22 N 2.43 1.66 -1.39 1.11 1.01 -0.65 -0.34 120.40 124.23 1rmm s VAL 22 Ca 0.07 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1rmm s VAL 22 Cb -0.15 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1rmm s VAL 22 CO -0.13 0.24 0.54 0.59 0.00 0.00 0.00 175.10 176.35 1rmm n ASN 23 N 4.69 -0.85 0.00 3.32 4.13 -1.01 -1.68 115.26 123.85 1rmm n ASN 23 Ca -0.15 -0.94 0.00 0.00 1.68 0.00 0.00 54.58 55.17 1rmm n ASN 23 Cb 0.47 -3.40 0.00 0.00 -1.54 0.00 0.00 39.78 35.32 1rmm n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rmm n GLY 24 N -1.82 1.39 3.53 7.41 0.00 -1.26 -4.99 105.19 109.44 1rmm n GLY 24 Ca -0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1rmm n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rmm s HIS 25 N -3.30 3.22 0.06 1.61 3.76 -0.68 -5.07 115.29 114.89 1rmm s HIS 25 Ca 0.00 -0.17 -0.18 0.00 -0.15 0.00 0.00 55.06 54.56 1rmm s HIS 25 Cb 0.00 -2.61 -0.06 0.00 1.11 0.00 0.00 32.58 31.02 1rmm s HIS 25 CO 0.00 -0.44 0.53 0.15 -0.85 0.00 0.00 174.74 174.13 1rmm s LYS 26 N 1.88 4.11 0.16 1.40 -0.14 -1.26 -1.64 119.74 124.26 1rmm s LYS 26 Ca 0.09 0.64 -0.17 0.00 -1.36 0.00 0.00 55.97 55.17 1rmm s LYS 26 Cb -0.17 -3.21 0.03 0.00 -1.68 0.00 0.00 37.83 32.80 1rmm s LYS 26 CO 0.11 0.64 0.48 -0.59 -0.76 0.00 0.00 175.35 175.23 1rmm s PHE 27 N -1.13 -0.19 0.06 3.18 -0.71 -0.33 -4.99 117.98 113.87 1rmm s PHE 27 Ca 0.28 -0.13 0.04 0.00 -1.04 0.00 0.00 56.93 56.08 1rmm s PHE 27 Cb -0.18 0.35 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 1rmm s PHE 27 CO 0.18 -0.82 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.00 1rmm s SER 28 N -2.83 1.25 -0.01 1.98 0.01 -1.26 -0.51 113.70 112.33 1rmm s SER 28 Ca 0.06 -0.58 0.02 0.00 1.31 0.00 0.00 55.95 56.76 1rmm s SER 28 Cb 0.00 -0.01 -0.00 0.00 0.21 0.00 0.00 66.02 66.22 1rmm s SER 28 CO -0.07 -0.14 -0.08 -0.69 0.41 0.00 0.00 173.24 172.66 1rmm s VAL 29 N -1.32 0.69 0.05 3.43 1.01 -0.45 -1.80 120.40 122.01 1rmm s VAL 29 Ca -0.06 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1rmm s VAL 29 Cb -0.10 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1rmm s VAL 29 CO 0.01 0.21 -0.25 -0.44 0.00 0.00 0.00 175.10 174.63 1rmm s SER 30 N -0.02 2.99 0.01 3.32 0.01 -0.51 -1.01 113.70 118.47 1rmm s SER 30 Ca 0.01 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.65 1rmm s SER 30 Cb -0.05 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 1rmm s SER 30 CO -0.00 0.22 0.05 -0.83 0.41 0.00 0.00 173.24 173.09 1rmm s GLY 31 N -1.30 0.12 0.03 3.44 0.00 0.12 -0.69 107.32 109.04 1rmm s GLY 31 Ca 0.11 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.56 1rmm s GLY 31 CO 0.02 -0.36 -0.05 -0.54 0.00 0.00 0.00 173.10 172.16 1rmm s GLU 32 N -1.13 0.42 0.00 2.90 2.02 -0.97 -0.19 118.70 121.75 1rmm s GLU 32 Ca -0.12 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1rmm s GLU 32 Cb -0.07 -0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.07 1rmm s GLU 32 CO 0.00 -0.00 0.00 0.41 0.02 0.00 0.00 175.26 175.69 1rmm n GLY 33 N 1.52 -0.65 3.22 -1.39 0.00 -0.91 -0.84 105.19 106.14 1rmm n GLY 33 Ca -0.23 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1rmm n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rmm s GLU 34 N -0.69 0.87 0.03 1.61 -1.05 -0.41 -0.25 118.70 118.81 1rmm s GLU 34 Ca 0.00 -0.93 0.05 0.00 -0.15 0.00 0.00 54.97 53.94 1rmm s GLU 34 Cb 0.00 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 1rmm s GLU 34 CO 0.00 -0.28 -0.15 0.20 0.95 0.00 0.00 175.26 175.98 1rmm s GLY 35 N -2.85 0.82 -0.39 -3.83 0.00 -0.31 -1.72 107.32 99.05 1rmm s GLY 35 Ca 0.05 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.96 1rmm s GLY 35 CO -0.11 -0.78 0.17 -0.35 0.00 0.00 0.00 173.10 172.03 1rmm s ASP 36 N -1.00 4.00 0.57 1.64 -1.08 0.12 -1.22 116.67 119.70 1rmm s ASP 36 Ca 0.03 -2.30 0.35 0.00 -0.52 0.00 0.00 52.55 50.11 1rmm s ASP 36 Cb -0.08 -1.13 1.65 0.00 -1.46 0.00 0.00 42.92 41.90 1rmm s ASP 36 CO 0.01 -0.32 2.10 0.00 0.52 0.00 0.00 175.17 177.48 1rmm h ALA 37 N 7.24 1.05 -0.42 3.66 0.00 -1.75 -1.29 119.26 127.74 1rmm h ALA 37 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1rmm h ALA 37 Cb 0.96 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1rmm h ALA 37 CO 0.51 0.04 0.26 1.15 0.00 0.00 0.00 179.25 181.21 1rmm h THR 38 N 0.00 1.11 -0.20 0.00 2.02 -1.89 -2.32 112.91 111.64 1rmm h THR 38 Ca -0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1rmm h THR 38 Cb 0.35 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1rmm h THR 38 CO 0.00 0.11 0.00 -1.22 0.37 0.00 0.00 175.52 174.79 1rmm n TYR 39 N -4.46 0.26 -2.21 3.16 4.01 -0.91 -4.94 117.16 112.07 1rmm n TYR 39 Ca 0.03 -0.24 -0.16 0.00 -0.16 0.00 0.00 57.90 57.37 1rmm n TYR 39 Cb 0.07 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.07 1rmm n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rmm n GLY 40 N 0.69 -0.07 3.66 2.72 0.00 -0.66 -4.71 105.19 106.84 1rmm n GLY 40 Ca 0.10 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1rmm n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rmm s LYS 41 N -4.63 3.28 -0.03 1.61 2.20 -0.58 -0.48 119.74 121.11 1rmm s LYS 41 Ca 0.00 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.26 1rmm s LYS 41 Cb 0.00 -2.91 -0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1rmm s LYS 41 CO 0.00 0.57 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.91 1rmm s LEU 42 N -0.52 1.90 -0.07 5.43 1.43 0.15 0.16 118.68 127.17 1rmm s LEU 42 Ca 0.09 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1rmm s LEU 42 Cb -0.12 -0.81 0.03 0.00 0.03 0.00 0.00 46.19 45.32 1rmm s LEU 42 CO 0.02 0.14 -0.02 0.42 0.23 0.00 0.00 176.35 177.13 1rmm s THR 43 N -0.01 0.52 0.02 5.49 -4.23 -0.70 -1.18 115.64 115.56 1rmm s THR 43 Ca -0.01 -0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.41 1rmm s THR 43 Cb -0.09 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.12 1rmm s THR 43 CO 0.01 0.27 0.17 -0.76 -0.54 0.00 0.00 174.62 173.77 1rmm s LEU 44 N 1.68 1.45 -0.09 4.79 2.01 -0.57 -1.29 118.68 126.66 1rmm s LEU 44 Ca 0.01 -0.31 0.02 0.00 0.01 0.00 0.00 54.13 53.87 1rmm s LEU 44 Cb -0.13 0.84 0.01 0.00 0.01 0.00 0.00 46.19 46.93 1rmm s LEU 44 CO -0.04 -0.48 -0.16 -0.75 1.01 0.00 0.00 176.35 175.92 1rmm s LYS 45 N -2.12 2.24 0.05 1.70 2.20 -0.02 -0.94 119.74 122.86 1rmm s LYS 45 Ca -0.09 -0.59 0.04 0.00 -0.36 0.00 0.00 55.97 54.98 1rmm s LYS 45 Cb -0.03 -1.82 -0.04 0.00 -1.51 0.00 0.00 37.83 34.43 1rmm s LYS 45 CO -0.02 0.03 -0.03 -0.06 -0.36 0.00 0.00 175.35 174.91 1rmm s PHE 46 N 0.72 2.95 -0.00 4.03 0.40 0.32 -2.29 117.98 124.10 1rmm s PHE 46 Ca -0.12 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.21 1rmm s PHE 46 Cb -0.16 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 1rmm s PHE 46 CO 0.03 0.44 -0.08 0.42 0.70 0.00 0.00 175.22 176.73 1rmm s ILE 47 N -1.18 0.64 -0.33 0.64 1.01 0.13 -1.91 121.20 120.20 1rmm s ILE 47 Ca 0.22 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.27 1rmm s ILE 47 Cb -0.11 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1rmm s ILE 47 CO 0.14 0.13 0.56 0.00 0.00 0.00 0.00 174.94 175.77 1rmm n THR 49 N 5.42 0.00 0.10 0.00 -2.24 -0.74 -3.68 114.28 113.14 1rmm n THR 49 Ca -0.03 -0.11 0.09 0.00 -2.27 0.00 0.00 64.05 61.73 1rmm n THR 49 Cb 0.49 0.26 0.19 0.00 -2.10 0.00 0.00 70.33 69.17 1rmm n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rmm n THR 50 N -0.73 0.63 0.00 4.28 -2.24 -1.25 -4.97 114.28 110.00 1rmm n THR 50 Ca 0.13 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1rmm n THR 50 Cb 0.33 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1rmm n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rmm n GLY 51 N 1.16 0.13 3.74 3.38 0.00 -1.24 -5.00 105.19 107.36 1rmm n GLY 51 Ca 0.16 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 1rmm n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rmm s LYS 52 N -0.23 4.76 -0.00 1.61 1.02 -1.26 -4.51 119.74 121.14 1rmm s LYS 52 Ca 0.00 1.52 -0.30 0.00 0.02 0.00 0.00 55.97 57.20 1rmm s LYS 52 Cb 0.00 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1rmm s LYS 52 CO 0.00 0.35 1.21 -1.17 -0.92 0.00 0.00 175.35 174.82 1rmm s LEU 53 N -0.68 4.32 0.00 3.17 2.96 -1.26 -4.91 118.68 122.28 1rmm s LEU 53 Ca 0.44 1.92 0.22 0.00 -0.22 0.00 0.00 54.13 56.49 1rmm s LEU 53 Cb -0.26 -3.57 1.08 0.00 0.50 0.00 0.00 46.19 43.95 1rmm s LEU 53 CO 0.32 -0.54 1.70 -0.81 -1.32 0.00 0.00 176.35 175.69 1rmm n PRO 54 N 4.67 0.28 -4.24 0.98 -0.04 -1.26 -4.77 135.00 130.63 1rmm n PRO 54 Ca 0.10 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 1rmm n PRO 54 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1rmm n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rmm s VAL 55 N -2.61 0.96 0.00 0.52 -7.23 -1.26 -4.72 120.40 106.07 1rmm s VAL 55 Ca 0.20 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1rmm s VAL 55 Cb 0.15 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.16 1rmm s VAL 55 CO 0.34 -0.67 0.00 -2.65 -0.31 0.00 0.00 175.10 171.81 1rmm n PRO 56 N -0.20 2.75 0.00 4.82 -0.02 -1.26 -4.97 135.00 136.12 1rmm n PRO 56 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1rmm n PRO 56 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 1rmm n PRO 56 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rmm n PRO 58 N 0.00 0.00 0.02 0.52 -0.02 -1.26 -3.87 135.00 130.39 1rmm n PRO 58 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1rmm n PRO 58 Cb 0.00 0.00 0.34 0.00 -0.02 0.00 0.00 33.50 33.82 1rmm n PRO 58 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rmm n THR 59 N 0.00 0.97 0.73 3.45 -2.24 -1.26 -2.92 114.28 113.01 1rmm n THR 59 Ca 0.00 0.25 0.08 0.00 -2.27 0.00 0.00 64.05 62.10 1rmm n THR 59 Cb 0.00 -1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 67.11 1rmm n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rmm n LEU 60 N -1.63 0.73 -0.18 3.22 4.77 -1.25 -4.63 117.00 118.03 1rmm n LEU 60 Ca 0.03 -0.47 -0.04 0.00 -0.03 0.00 0.00 56.01 55.50 1rmm n LEU 60 Cb 0.18 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1rmm n LEU 60 CO 0.15 0.18 0.68 0.58 -1.33 0.00 0.00 177.39 177.65 1rmm h VAL 61 N 0.00 0.28 -0.17 4.08 2.07 -1.89 0.26 116.25 120.87 1rmm h VAL 61 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1rmm h VAL 61 Cb 0.41 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1rmm h VAL 61 CO 0.00 0.00 -0.06 0.71 0.02 0.00 0.00 177.57 178.24 1rmm h THR 62 N -0.13 1.15 -0.06 2.57 1.35 -1.82 -2.96 112.91 113.02 1rmm h THR 62 Ca 0.24 -0.62 -0.08 0.00 -0.55 0.00 0.00 66.41 65.40 1rmm h THR 62 Cb 0.51 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1rmm h THR 62 CO -0.61 0.20 -0.26 0.74 -0.25 0.00 0.00 175.52 175.33 1rmm h THR 63 N 0.25 1.44 0.00 6.82 2.02 -1.59 -3.46 112.91 118.39 1rmm h THR 63 Ca 0.06 -1.69 -0.03 0.00 0.77 0.00 0.00 66.41 65.51 1rmm h THR 63 Cb 0.28 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.04 1rmm h THR 63 CO 0.01 0.48 0.03 0.18 0.37 0.00 0.00 175.52 176.59 1rmm n LEU 64 N -4.49 2.53 0.00 2.58 4.77 -0.02 -5.04 117.00 117.34 1rmm n LEU 64 Ca -0.08 -1.38 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 1rmm n LEU 64 Cb 0.47 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1rmm n LEU 64 CO 0.40 0.51 0.00 1.33 -1.33 0.00 0.00 177.39 178.30 1rmm n VAL 68 N 2.13 0.00 0.95 4.08 0.24 -1.26 -5.00 118.33 119.47 1rmm n VAL 68 Ca 0.08 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.45 1rmm n VAL 68 Cb 0.31 0.00 0.46 0.00 -1.47 0.00 0.00 33.84 33.14 1rmm n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rmm n GLN 69 N 0.00 0.45 0.00 7.34 6.02 -1.26 -2.15 117.38 127.78 1rmm n GLN 69 Ca 0.00 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 57.09 1rmm n GLN 69 Cb 0.00 -1.50 0.34 0.00 1.02 0.00 0.00 30.24 30.10 1rmm n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rmm n PHE 71 N -1.47 0.83 -2.49 0.00 3.72 -0.91 -4.71 117.46 112.42 1rmm n PHE 71 Ca 0.04 -0.38 -0.36 0.00 -0.05 0.00 0.00 57.45 56.71 1rmm n PHE 71 Cb 0.17 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1rmm n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1rmm s SER 72 N -0.93 6.49 -0.18 4.37 0.01 -0.94 -4.14 113.70 118.38 1rmm s SER 72 Ca 0.36 2.05 -0.22 0.00 1.31 0.00 0.00 55.95 59.44 1rmm s SER 72 Cb 0.20 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1rmm s SER 72 CO 0.22 -0.68 0.70 -0.60 0.41 0.00 0.00 173.24 173.28 1rmm s ARG 73 N -2.80 4.26 -0.23 12.44 3.52 0.10 -4.76 118.95 131.48 1rmm s ARG 73 Ca 0.62 0.76 -0.08 0.00 -0.13 0.00 0.00 55.73 56.90 1rmm s ARG 73 Cb -0.21 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 1rmm s ARG 73 CO 0.26 -0.24 0.09 0.71 -0.81 0.00 0.00 175.30 175.31 1rmm s TYR 74 N 1.88 3.16 0.65 5.12 1.51 -1.26 -0.80 117.35 127.60 1rmm s TYR 74 Ca 0.32 -0.15 -0.18 0.00 -1.01 0.00 0.00 57.07 56.05 1rmm s TYR 74 Cb -0.16 -2.21 -0.01 0.00 -0.11 0.00 0.00 41.96 39.47 1rmm s TYR 74 CO 0.12 -0.15 1.28 -2.30 -1.11 0.00 0.00 175.55 173.38 1rmm n PRO 75 N 4.48 1.11 -0.32 -1.71 -0.02 -1.26 -4.78 135.00 132.50 1rmm n PRO 75 Ca -0.16 0.43 0.18 0.00 -2.02 0.00 0.00 63.50 61.93 1rmm n PRO 75 Cb 0.52 -2.51 0.42 0.00 -0.02 0.00 0.00 33.50 31.90 1rmm n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1rmm h ASP 76 N 0.53 0.60 0.00 2.55 3.58 -2.01 0.26 116.42 121.93 1rmm h ASP 76 Ca -0.51 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1rmm h ASP 76 Cb 1.34 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1rmm h ASP 76 CO 0.53 0.18 0.00 0.00 -2.88 0.00 0.00 179.24 177.07 1rmm n HIS 77 N -4.68 0.00 -0.07 0.28 1.44 -1.26 -3.19 115.22 107.74 1rmm n HIS 77 Ca 0.23 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 1rmm n HIS 77 Cb 0.70 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.81 1rmm n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1rmm n MET 78 N -0.91 1.87 -0.15 -1.40 2.81 0.89 -4.77 117.12 115.47 1rmm n MET 78 Ca 0.18 -1.19 0.14 0.00 -1.81 0.00 0.00 57.70 55.02 1rmm n MET 78 Cb 0.08 -0.97 0.49 0.00 -0.71 0.00 0.00 33.22 32.12 1rmm n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1rmm h LYS 79 N 0.00 0.43 0.00 0.03 1.79 -1.48 -0.06 116.57 117.27 1rmm h LYS 79 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1rmm h LYS 79 Cb 0.41 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1rmm h LYS 79 CO 0.00 0.28 0.00 1.04 -1.08 0.00 0.00 179.45 179.69 1rmm n GLN 80 N -4.48 0.13 -0.41 3.15 3.00 -1.26 -2.41 117.38 115.10 1rmm n GLN 80 Ca 0.13 0.50 0.10 0.00 -0.01 0.00 0.00 57.00 57.72 1rmm n GLN 80 Cb 0.47 -1.82 0.30 0.00 0.00 0.00 0.00 30.24 29.19 1rmm n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1rmm n HIS 81 N -2.07 1.04 -2.88 1.08 8.25 -0.04 -4.65 115.22 115.96 1rmm n HIS 81 Ca 0.01 -0.55 -0.44 0.00 -0.26 0.00 0.00 57.72 56.48 1rmm n HIS 81 Cb 0.11 -0.09 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 1rmm n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1rmm s ASP 82 N -1.01 6.92 0.16 0.41 -1.08 -1.01 -4.50 116.67 116.56 1rmm s ASP 82 Ca 0.45 -2.65 -0.15 0.00 -0.52 0.00 0.00 52.55 49.68 1rmm s ASP 82 Cb 0.26 -2.43 0.04 0.00 -1.46 0.00 0.00 42.92 39.33 1rmm s ASP 82 CO 0.26 -0.91 1.79 0.15 0.52 0.00 0.00 175.17 176.98 1rmm h PHE 83 N 7.69 0.65 -0.36 -5.34 3.57 -1.89 -2.74 116.94 118.51 1rmm h PHE 83 Ca 0.29 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.86 1rmm h PHE 83 Cb 0.91 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1rmm h PHE 83 CO 1.17 0.46 -0.07 0.74 -2.23 0.00 0.00 178.31 178.38 1rmm h PHE 84 N 0.64 -0.15 -0.00 0.41 0.04 -1.89 -0.45 116.94 115.54 1rmm h PHE 84 Ca 0.17 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.83 1rmm h PHE 84 Cb 0.01 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 1rmm h PHE 84 CO -0.03 -0.13 -0.68 0.87 -0.60 0.00 0.00 178.31 177.74 1rmm h LYS 85 N 0.02 0.02 0.00 1.51 1.57 -1.84 -3.18 116.57 114.67 1rmm h LYS 85 Ca 0.17 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1rmm h LYS 85 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1rmm h LYS 85 CO -0.35 0.69 -0.09 0.66 -0.57 0.00 0.00 179.45 179.80 1rmm h SER 86 N 0.01 0.00 0.48 0.86 4.64 -0.78 -2.00 113.55 116.76 1rmm h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rmm h SER 86 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1rmm h SER 86 CO 0.09 0.09 -0.04 0.00 -0.87 0.00 0.00 176.83 176.10 1rmm n ALA 87 N -2.22 2.59 -2.31 5.18 0.00 -0.84 -4.38 120.51 118.53 1rmm n ALA 87 Ca -0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 1rmm n ALA 87 Cb 0.23 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.25 1rmm n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rmm s MET 88 N -2.53 3.29 0.00 0.00 1.00 -0.75 -0.92 119.30 119.39 1rmm s MET 88 Ca 0.29 -0.09 0.27 0.00 0.00 0.00 0.00 55.69 56.16 1rmm s MET 88 Cb 0.20 -2.44 0.91 0.00 0.00 0.00 0.00 34.83 33.50 1rmm s MET 88 CO 0.47 -0.26 1.67 -0.35 0.00 0.00 0.00 175.02 176.54 1rmm n PRO 89 N -2.21 0.49 -0.07 2.03 -0.04 -1.26 -3.62 135.00 130.33 1rmm n PRO 89 Ca 0.01 -0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.27 1rmm n PRO 89 Cb 0.56 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.91 1rmm n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rmm h GLU 90 N 0.56 0.64 0.00 0.54 3.07 -1.93 -2.75 114.58 114.72 1rmm h GLU 90 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1rmm h GLU 90 Cb 0.45 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1rmm h GLU 90 CO 0.00 0.43 0.00 0.41 -1.40 0.00 0.00 179.01 178.45 1rmm n GLY 91 N -1.46 -3.05 3.16 -3.84 0.00 -0.10 -4.62 105.19 95.27 1rmm n GLY 91 Ca 0.05 -2.11 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 1rmm n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rmm s TYR 92 N -0.57 0.48 -0.10 1.61 -0.85 -0.62 -0.51 117.35 116.78 1rmm s TYR 92 Ca 0.00 -0.94 -0.04 0.00 -0.52 0.00 0.00 57.07 55.56 1rmm s TYR 92 Cb 0.00 -0.29 -0.04 0.00 0.38 0.00 0.00 41.96 42.02 1rmm s TYR 92 CO 0.00 -0.48 0.07 0.08 -1.52 0.00 0.00 175.55 173.70 1rmm s VAL 93 N -3.93 4.89 -0.11 -3.49 1.01 0.37 -1.60 120.40 117.53 1rmm s VAL 93 Ca 0.11 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1rmm s VAL 93 Cb 0.07 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1rmm s VAL 93 CO -0.07 0.61 -0.14 -1.58 0.00 0.00 0.00 175.10 173.92 1rmm s GLN 94 N -0.94 2.11 0.11 2.72 0.74 0.45 -1.52 119.66 123.34 1rmm s GLN 94 Ca 0.14 -0.51 0.08 0.00 0.05 0.00 0.00 55.36 55.12 1rmm s GLN 94 Cb -0.12 -1.85 -0.04 0.00 1.10 0.00 0.00 33.01 32.11 1rmm s GLN 94 CO 0.03 -0.11 -0.20 -1.21 -0.55 0.00 0.00 175.29 173.25 1rmm s GLU 95 N 1.12 1.15 0.06 1.67 2.02 0.22 -1.06 118.70 123.87 1rmm s GLU 95 Ca -0.04 -1.21 -0.11 0.00 0.02 0.00 0.00 54.97 53.63 1rmm s GLU 95 Cb -0.14 -1.38 0.01 0.00 0.10 0.00 0.00 34.13 32.72 1rmm s GLU 95 CO -0.03 0.31 0.23 1.03 0.02 0.00 0.00 175.26 176.82 1rmm s ARG 96 N -2.07 0.78 -0.07 1.61 0.52 -0.79 -1.05 118.95 117.88 1rmm s ARG 96 Ca 0.08 -0.68 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 1rmm s ARG 96 Cb -0.09 0.33 -0.00 0.00 0.52 0.00 0.00 34.95 35.70 1rmm s ARG 96 CO 0.05 -0.24 -0.23 0.99 0.02 0.00 0.00 175.30 175.89 1rmm s THR 97 N -2.92 1.91 -0.22 0.02 2.01 -0.75 -1.31 115.64 114.37 1rmm s THR 97 Ca -0.02 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.01 1rmm s THR 97 Cb 0.01 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.91 1rmm s THR 97 CO -0.06 0.53 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.65 1rmm s ILE 98 N 0.10 2.49 -0.35 1.82 1.01 0.13 -1.69 121.20 124.71 1rmm s ILE 98 Ca -0.10 -1.05 -0.14 0.00 0.00 0.00 0.00 60.65 59.36 1rmm s ILE 98 Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 1rmm s ILE 98 CO 0.05 0.31 0.29 -0.36 0.00 0.00 0.00 174.94 175.23 1rmm s PHE 99 N 1.29 3.22 -0.32 3.97 0.40 0.41 -0.73 117.98 126.22 1rmm s PHE 99 Ca 0.01 -0.19 -0.24 0.00 -0.60 0.00 0.00 56.93 55.91 1rmm s PHE 99 Cb -0.16 -2.55 0.00 0.00 0.51 0.00 0.00 43.02 40.82 1rmm s PHE 99 CO -0.08 -0.41 0.84 -0.06 0.70 0.00 0.00 175.22 176.21 1rmm s PHE 100 N 1.82 3.18 0.05 0.36 0.40 -0.26 -1.16 117.98 122.37 1rmm s PHE 100 Ca 0.08 0.84 -0.37 0.00 -0.60 0.00 0.00 56.93 56.88 1rmm s PHE 100 Cb -0.17 -3.33 -0.16 0.00 0.51 0.00 0.00 43.02 39.87 1rmm s PHE 100 CO 0.11 -0.63 1.44 1.17 0.70 0.00 0.00 175.22 178.02 1rmm n LYS 101 N 6.35 1.35 -2.00 0.44 3.00 -0.34 -0.81 118.16 126.15 1rmm n LYS 101 Ca 0.05 0.49 -0.20 0.00 -0.00 0.00 0.00 58.31 58.65 1rmm n LYS 101 Cb 0.48 -2.16 -0.05 0.00 0.00 0.00 0.00 35.03 33.30 1rmm n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1rmm n ASP 102 N 3.13 -5.53 0.00 3.14 8.00 -1.26 -4.81 116.55 119.22 1rmm n ASP 102 Ca 0.19 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1rmm n ASP 102 Cb 0.20 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 1rmm n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rmm n ASP 103 N -1.50 0.00 -2.44 -2.24 -0.08 0.00 -4.95 116.55 105.35 1rmm n ASP 103 Ca -0.22 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.00 1rmm n ASP 103 Cb 0.66 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.16 1rmm n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rmm n GLY 104 N 0.00 -0.80 3.07 0.27 0.00 -1.19 -4.62 105.19 101.92 1rmm n GLY 104 Ca 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.16 1rmm n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rmm s ASN 105 N -2.02 0.83 -0.06 1.61 2.20 -0.62 -1.10 114.94 115.78 1rmm s ASN 105 Ca 0.16 -0.61 -0.03 0.00 -0.94 0.00 0.00 52.86 51.44 1rmm s ASN 105 Cb -0.01 0.05 -0.04 0.00 -2.00 0.00 0.00 41.25 39.26 1rmm s ASN 105 CO 0.11 -0.25 0.10 -0.31 -2.94 0.00 0.00 177.10 173.81 1rmm s TYR 106 N -1.72 3.40 -0.11 1.54 2.02 0.09 -1.25 117.35 121.32 1rmm s TYR 106 Ca -0.07 0.33 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 1rmm s TYR 106 Cb -0.08 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.67 1rmm s TYR 106 CO -0.01 0.61 -0.17 0.15 -1.57 0.00 0.00 175.55 174.57 1rmm s LYS 107 N -1.38 2.39 0.10 -0.62 1.02 0.15 0.18 119.74 121.57 1rmm s LYS 107 Ca 0.19 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.62 1rmm s LYS 107 Cb -0.12 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 1rmm s LYS 107 CO 0.09 -0.05 -0.14 0.95 -0.92 0.00 0.00 175.35 175.29 1rmm s THR 108 N 0.93 1.26 -0.04 2.17 -4.23 -0.42 -1.37 115.64 113.94 1rmm s THR 108 Ca -0.07 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 58.85 1rmm s THR 108 Cb -0.15 -1.39 0.03 0.00 1.34 0.00 0.00 72.50 72.33 1rmm s THR 108 CO -0.01 -0.35 0.07 -0.60 -0.54 0.00 0.00 174.62 173.19 1rmm s ARG 109 N -2.37 0.01 0.03 3.99 3.52 -0.57 -1.88 118.95 121.69 1rmm s ARG 109 Ca 0.05 0.24 -0.05 0.00 -0.13 0.00 0.00 55.73 55.85 1rmm s ARG 109 Cb -0.06 -0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.11 1rmm s ARG 109 CO 0.03 -0.16 0.07 0.00 -0.81 0.00 0.00 175.30 174.43 1rmm s ALA 110 N 1.03 -0.01 -0.12 6.12 0.00 -0.22 -1.03 121.76 127.52 1rmm s ALA 110 Ca -0.08 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1rmm s ALA 110 Cb -0.11 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1rmm s ALA 110 CO -0.04 -0.30 -0.23 -1.21 0.00 0.00 0.00 175.76 173.99 1rmm s GLU 111 N -2.50 3.04 -0.14 0.00 2.02 -0.68 -0.41 118.70 120.03 1rmm s GLU 111 Ca -0.06 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.08 1rmm s GLU 111 Cb -0.02 -2.37 0.01 0.00 0.10 0.00 0.00 34.13 31.86 1rmm s GLU 111 CO -0.04 0.09 -0.18 0.14 0.02 0.00 0.00 175.26 175.28 1rmm s VAL 112 N 0.57 1.80 0.30 2.63 -7.23 -0.63 -1.59 120.40 116.26 1rmm s VAL 112 Ca -0.13 -0.81 -0.19 0.00 -1.81 0.00 0.00 61.98 59.03 1rmm s VAL 112 Cb -0.17 -1.62 0.04 0.00 0.56 0.00 0.00 36.38 35.19 1rmm s VAL 112 CO 0.04 0.50 0.79 -1.59 -0.31 0.00 0.00 175.10 174.52 1rmm s LYS 113 N 1.03 1.88 0.12 4.82 -2.85 -0.77 -1.59 119.74 122.38 1rmm s LYS 113 Ca -0.04 -1.12 -0.12 0.00 -1.00 0.00 0.00 55.97 53.68 1rmm s LYS 113 Cb -0.15 0.59 -0.06 0.00 -2.06 0.00 0.00 37.83 36.14 1rmm s LYS 113 CO -0.04 -0.87 0.49 -0.06 0.10 0.00 0.00 175.35 174.96 1rmm s PHE 114 N -3.15 3.60 -0.37 1.78 0.08 -1.04 -0.87 117.98 118.00 1rmm s PHE 114 Ca 0.13 0.95 0.02 0.00 0.12 0.00 0.00 56.93 58.16 1rmm s PHE 114 Cb -0.05 -2.28 0.11 0.00 -0.57 0.00 0.00 43.02 40.22 1rmm s PHE 114 CO 0.08 0.46 0.12 -1.21 -0.10 0.00 0.00 175.22 174.58 1rmm s GLU 115 N -1.94 1.30 5.56 0.44 0.41 -0.20 -4.93 118.70 119.35 1rmm s GLU 115 Ca 0.36 -1.77 0.00 0.00 -0.41 0.00 0.00 54.97 53.15 1rmm s GLU 115 Cb -0.15 -2.74 0.00 0.00 -1.78 0.00 0.00 34.13 29.46 1rmm s GLU 115 CO 0.19 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 1rmm n GLY 116 N 4.16 1.36 1.54 -1.39 0.00 -1.26 -2.35 105.19 107.25 1rmm n GLY 116 Ca 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 1rmm n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rmm n ASP 117 N 4.37 4.25 -4.57 1.61 5.68 -1.26 -4.89 116.55 121.74 1rmm n ASP 117 Ca 0.00 -3.24 -0.34 0.00 -0.50 0.00 0.00 54.79 50.71 1rmm n ASP 117 Cb 0.00 -0.67 -0.11 0.00 -1.14 0.00 0.00 41.12 39.20 1rmm n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1rmm s THR 118 N -2.98 4.27 -0.22 2.12 2.01 -0.99 -4.25 115.64 115.61 1rmm s THR 118 Ca 0.50 -0.23 -0.23 0.00 0.31 0.00 0.00 61.69 62.05 1rmm s THR 118 Cb 0.41 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 1rmm s THR 118 CO 0.10 0.50 0.73 -0.22 -0.69 0.00 0.00 174.62 175.04 1rmm s LEU 119 N 0.19 4.11 -0.08 4.42 1.98 -0.23 -1.03 118.68 128.04 1rmm s LEU 119 Ca 0.01 0.93 0.00 0.00 -2.89 0.00 0.00 54.13 52.18 1rmm s LEU 119 Cb -0.13 -3.04 -0.03 0.00 0.66 0.00 0.00 46.19 43.66 1rmm s LEU 119 CO 0.02 -0.39 -0.08 -0.69 -1.89 0.00 0.00 176.35 173.32 1rmm s VAL 120 N 2.35 3.56 -0.28 1.68 1.01 -0.05 -1.25 120.40 127.42 1rmm s VAL 120 Ca 0.32 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1rmm s VAL 120 Cb -0.16 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.83 1rmm s VAL 120 CO 0.09 0.57 -0.05 0.21 0.00 0.00 0.00 175.10 175.93 1rmm s ASN 121 N -0.51 4.39 -0.22 3.32 2.47 -0.44 -1.85 114.94 122.10 1rmm s ASN 121 Ca 0.07 -1.56 -0.05 0.00 0.42 0.00 0.00 52.86 51.74 1rmm s ASN 121 Cb -0.12 -1.46 -0.02 0.00 -1.45 0.00 0.00 41.25 38.20 1rmm s ASN 121 CO 0.02 -0.26 -0.00 -0.13 -3.72 0.00 0.00 177.10 173.01 1rmm s ARG 122 N 1.13 3.52 0.06 0.43 0.52 -0.62 -1.19 118.95 122.80 1rmm s ARG 122 Ca -0.02 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 1rmm s ARG 122 Cb -0.19 -3.11 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 1rmm s ARG 122 CO -0.07 -0.12 -0.20 0.42 0.02 0.00 0.00 175.30 175.34 1rmm s ILE 123 N 1.34 1.65 -0.10 1.52 1.01 0.99 -1.68 121.20 125.94 1rmm s ILE 123 Ca 0.04 -1.28 0.04 0.00 0.00 0.00 0.00 60.65 59.45 1rmm s ILE 123 Cb -0.15 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.87 1rmm s ILE 123 CO 0.00 0.12 -0.24 -1.61 0.00 0.00 0.00 174.94 173.22 1rmm s GLU 124 N -1.37 3.00 -0.05 2.79 2.02 -0.19 -1.22 118.70 123.68 1rmm s GLU 124 Ca 0.07 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.22 1rmm s GLU 124 Cb -0.09 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.87 1rmm s GLU 124 CO 0.02 0.18 -0.14 -1.17 0.02 0.00 0.00 175.26 174.18 1rmm s LEU 125 N 0.34 1.78 -0.09 1.80 0.20 0.13 -1.51 118.68 121.33 1rmm s LEU 125 Ca -0.19 -0.31 0.02 0.00 0.69 0.00 0.00 54.13 54.35 1rmm s LEU 125 Cb -0.18 -0.86 0.01 0.00 -0.43 0.00 0.00 46.19 44.74 1rmm s LEU 125 CO 0.09 0.09 -0.16 -0.75 -0.29 0.00 0.00 176.35 175.32 1rmm s LYS 126 N 0.35 2.22 -0.15 1.98 2.20 -0.47 -1.82 119.74 124.06 1rmm s LYS 126 Ca -0.09 -0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1rmm s LYS 126 Cb -0.13 -1.81 -0.02 0.00 -1.51 0.00 0.00 37.83 34.36 1rmm s LYS 126 CO 0.03 0.03 -0.09 0.20 -0.36 0.00 0.00 175.35 175.15 1rmm s GLY 127 N 0.72 1.60 0.06 5.54 0.00 0.54 -0.68 107.32 115.10 1rmm s GLY 127 Ca -0.12 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.72 1rmm s GLY 127 CO 0.03 -0.07 -0.10 -0.26 0.00 0.00 0.00 173.10 172.70 1rmm s ILE 128 N 0.51 0.77 -0.89 0.90 -4.36 -0.38 -2.41 121.20 115.33 1rmm s ILE 128 Ca -0.07 -1.30 -0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1rmm s ILE 128 Cb -0.15 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 42.62 1rmm s ILE 128 CO 0.04 -0.41 0.14 0.47 0.24 0.00 0.00 174.94 175.42 1rmm n ASP 129 N 1.15 -3.77 -4.78 4.36 8.00 -1.26 -1.59 116.55 118.65 1rmm n ASP 129 Ca -0.20 -0.07 -0.38 0.00 0.71 0.00 0.00 54.79 54.84 1rmm n ASP 129 Cb 0.55 -2.85 -0.06 0.00 -0.02 0.00 0.00 41.12 38.74 1rmm n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rmm s PHE 130 N -2.69 3.83 0.04 1.24 0.40 -1.26 -3.20 117.98 116.33 1rmm s PHE 130 Ca 0.07 1.66 -0.30 0.00 -0.60 0.00 0.00 56.93 57.76 1rmm s PHE 130 Cb -0.03 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.64 1rmm s PHE 130 CO 0.09 0.41 1.18 0.15 0.70 0.00 0.00 175.22 177.75 1rmm s LYS 131 N -1.51 4.43 0.60 0.44 1.02 -1.26 -4.91 119.74 118.55 1rmm s LYS 131 Ca 0.41 1.73 0.31 0.00 0.02 0.00 0.00 55.97 58.44 1rmm s LYS 131 Cb -0.21 -3.39 1.84 0.00 -0.52 0.00 0.00 37.83 35.55 1rmm s LYS 131 CO 0.26 -0.27 2.21 0.93 -0.92 0.00 0.00 175.35 177.56 1rmm h GLU 132 N 6.90 0.00 -0.10 1.68 5.08 -1.97 -1.59 114.58 124.58 1rmm h GLU 132 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1rmm h GLU 132 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1rmm h GLU 132 CO 0.82 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.43 1rmm n ASP 133 N -3.71 2.71 -3.39 1.42 3.85 -1.26 -4.10 116.55 112.07 1rmm n ASP 133 Ca -0.01 -2.73 -0.22 0.00 -0.71 0.00 0.00 54.79 51.12 1rmm n ASP 133 Cb 0.17 -0.35 0.17 0.00 -1.35 0.00 0.00 41.12 39.76 1rmm n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rmm n GLY 134 N -0.81 -1.80 0.23 6.12 0.00 -0.60 -4.72 105.19 103.61 1rmm n GLY 134 Ca 0.13 -1.63 0.08 0.00 0.00 0.00 0.00 46.02 44.60 1rmm n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1rmm h ASN 135 N -1.61 0.00 0.01 1.61 2.35 -1.93 0.20 115.58 116.21 1rmm h ASN 135 Ca -0.32 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1rmm h ASN 135 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1rmm h ASN 135 CO 0.22 0.21 -0.01 0.40 -1.65 0.00 0.00 177.43 176.61 1rmm h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 0.17 117.51 123.60 1rmm h ILE 136 Ca -0.00 -0.66 -0.03 0.00 -0.12 0.00 0.00 64.86 64.05 1rmm h ILE 136 Cb 0.47 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.25 1rmm h ILE 136 CO 0.03 0.00 -0.12 -0.07 -0.68 0.00 0.00 178.15 177.30 1rmm h LEU 137 N -0.68 0.00 -0.61 1.44 3.38 -1.76 -1.91 115.31 115.16 1rmm h LEU 137 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rmm h LEU 137 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1rmm h LEU 137 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1rmm n GLY 138 N 0.02 -0.33 3.81 0.83 0.00 0.06 -4.93 105.19 104.64 1rmm n GLY 138 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1rmm n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rmm n HIS 139 N -0.23 -1.78 0.17 1.61 8.25 -0.72 -4.90 115.22 117.63 1rmm n HIS 139 Ca 0.19 0.57 0.10 0.00 -0.26 0.00 0.00 57.72 58.32 1rmm n HIS 139 Cb 0.25 -3.58 0.20 0.00 1.12 0.00 0.00 29.99 27.97 1rmm n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1rmm n LYS 140 N -4.32 2.37 -3.27 -0.41 5.02 0.03 -4.98 118.16 112.60 1rmm n LYS 140 Ca -0.19 -2.17 -0.39 0.00 -2.02 0.00 0.00 58.31 53.54 1rmm n LYS 140 Cb 0.63 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1rmm n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rmm s LEU 141 N -1.29 4.52 0.70 -0.35 1.43 -1.25 -0.95 118.68 121.49 1rmm s LEU 141 Ca 0.34 1.26 -0.14 0.00 -1.03 0.00 0.00 54.13 54.56 1rmm s LEU 141 Cb 0.20 -2.90 0.02 0.00 0.03 0.00 0.00 46.19 43.54 1rmm s LEU 141 CO 0.27 0.26 1.13 -1.61 0.23 0.00 0.00 176.35 176.63 1rmm s GLU 142 N -1.04 2.52 -1.21 1.70 2.02 -0.49 -4.82 118.70 117.39 1rmm s GLU 142 Ca 0.29 1.45 -0.11 0.00 0.02 0.00 0.00 54.97 56.63 1rmm s GLU 142 Cb -0.19 -1.91 0.20 0.00 0.10 0.00 0.00 34.13 32.33 1rmm s GLU 142 CO 0.19 -1.48 1.54 0.98 0.02 0.00 0.00 175.26 176.51 1rmm n TYR 143 N -2.68 4.09 -3.67 1.61 9.36 -1.26 -4.85 117.16 119.75 1rmm n TYR 143 Ca 0.11 -3.18 -0.07 0.00 3.32 0.00 0.00 57.90 58.08 1rmm n TYR 143 Cb 0.52 -1.94 0.02 0.00 -0.63 0.00 0.00 39.34 37.31 1rmm n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1rmm n ASN 144 N 4.19 -1.93 -3.66 2.98 0.23 -1.26 -4.89 115.26 110.91 1rmm n ASN 144 Ca 0.35 -2.33 -0.15 0.00 -0.53 0.00 0.00 54.58 51.92 1rmm n ASN 144 Cb 0.39 3.22 -0.08 0.00 -2.08 0.00 0.00 39.78 41.23 1rmm n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 1rmm s TYR 145 N -3.23 -0.52 0.44 -2.53 5.04 -1.26 -4.86 117.35 110.43 1rmm s TYR 145 Ca 0.13 1.09 0.07 0.00 -2.44 0.00 0.00 57.07 55.93 1rmm s TYR 145 Cb -0.04 0.24 0.01 0.00 0.35 0.00 0.00 41.96 42.52 1rmm s TYR 145 CO 0.10 -0.40 0.60 -0.80 -1.34 0.00 0.00 175.55 173.71 1rmm s ASN 146 N -0.49 5.61 0.12 4.32 0.01 -1.26 -4.74 114.94 118.50 1rmm s ASN 146 Ca -0.06 -0.35 -0.15 0.00 -0.71 0.00 0.00 52.86 51.59 1rmm s ASN 146 Cb -0.03 -0.71 -0.07 0.00 0.41 0.00 0.00 41.25 40.86 1rmm s ASN 146 CO 0.04 -0.81 0.54 -0.44 -1.51 0.00 0.00 177.10 174.92 1rmm s SER 147 N -4.36 6.87 0.11 -1.22 0.01 -1.26 -4.54 113.70 109.32 1rmm s SER 147 Ca 0.55 1.10 -0.01 0.00 1.31 0.00 0.00 55.95 58.90 1rmm s SER 147 Cb -0.10 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1rmm s SER 147 CO 0.34 0.16 0.04 -1.00 0.41 0.00 0.00 173.24 173.18 1rmm s HIS 148 N -1.36 0.77 -0.11 2.43 3.76 -0.77 -4.96 115.29 115.05 1rmm s HIS 148 Ca 0.35 -1.19 -0.00 0.00 -0.15 0.00 0.00 55.06 54.07 1rmm s HIS 148 Cb -0.16 -0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 1rmm s HIS 148 CO 0.19 -0.49 -0.08 -0.80 -0.85 0.00 0.00 174.74 172.70 1rmm s ASN 149 N -3.02 4.48 -0.23 1.40 0.02 -1.26 -1.01 114.94 115.32 1rmm s ASN 149 Ca 0.20 -0.14 -0.02 0.00 -1.02 0.00 0.00 52.86 51.88 1rmm s ASN 149 Cb 0.07 -1.41 0.01 0.00 0.02 0.00 0.00 41.25 39.94 1rmm s ASN 149 CO -0.01 0.26 -0.07 -0.69 0.02 0.00 0.00 177.10 176.61 1rmm s VAL 150 N -0.20 2.98 -0.18 1.60 1.01 0.40 -4.65 120.40 121.36 1rmm s VAL 150 Ca 0.02 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1rmm s VAL 150 Cb -0.13 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1rmm s VAL 150 CO 0.03 0.32 0.40 -0.31 0.00 0.00 0.00 175.10 175.54 1rmm s TYR 151 N 1.38 3.42 -0.06 5.22 2.02 -0.88 -1.24 117.35 127.21 1rmm s TYR 151 Ca 0.03 0.68 0.04 0.00 -0.37 0.00 0.00 57.07 57.44 1rmm s TYR 151 Cb -0.15 -2.50 -0.02 0.00 -0.40 0.00 0.00 41.96 38.88 1rmm s TYR 151 CO -0.05 0.07 -0.16 0.42 -1.57 0.00 0.00 175.55 174.26 1rmm s ILE 152 N 1.02 2.85 0.02 2.71 1.01 -0.26 -1.39 121.20 127.16 1rmm s ILE 152 Ca 0.20 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 1rmm s ILE 152 Cb -0.14 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.21 1rmm s ILE 152 CO 0.08 0.58 0.11 0.00 0.00 0.00 0.00 174.94 175.70 1rmm s MET 153 N -0.45 0.51 0.50 2.79 0.23 -0.51 -2.46 119.30 119.90 1rmm s MET 153 Ca 0.05 -0.55 -0.20 0.00 -1.03 0.00 0.00 55.69 53.96 1rmm s MET 153 Cb -0.12 0.20 -0.08 0.00 -1.53 0.00 0.00 34.83 33.31 1rmm s MET 153 CO 0.02 -0.12 1.08 0.00 -2.03 0.00 0.00 175.02 173.97 1rmm s ALA 154 N -1.84 2.83 -0.48 3.16 0.00 -1.23 -0.91 121.76 123.29 1rmm s ALA 154 Ca -0.11 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.59 1rmm s ALA 154 Cb -0.06 -3.30 0.14 0.00 0.00 0.00 0.00 23.12 19.90 1rmm s ALA 154 CO -0.01 -0.49 0.28 0.34 0.00 0.00 0.00 175.76 175.88 1rmm s ASP 155 N -1.83 3.74 0.33 0.00 -1.08 0.55 -4.68 116.67 113.71 1rmm s ASP 155 Ca 0.68 -2.85 0.02 0.00 -0.52 0.00 0.00 52.55 49.88 1rmm s ASP 155 Cb -0.20 -1.16 0.58 0.00 -1.46 0.00 0.00 42.92 40.67 1rmm s ASP 155 CO 0.24 -0.23 1.94 0.11 0.52 0.00 0.00 175.17 177.74 1rmm h LYS 156 N 6.48 0.76 -0.36 4.34 1.57 -1.96 -0.90 116.57 126.50 1rmm h LYS 156 Ca 0.01 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1rmm h LYS 156 Cb 0.90 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1rmm h LYS 156 CO 0.54 0.60 -0.04 -0.56 -0.57 0.00 0.00 179.45 179.41 1rmm h GLN 157 N 0.76 0.59 -0.12 3.15 -0.00 -1.94 -2.16 115.11 115.38 1rmm h GLN 157 Ca 0.19 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1rmm h GLN 157 Cb 0.09 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 27.50 1rmm h GLN 157 CO -0.02 0.64 0.00 1.63 -0.00 0.00 0.00 178.83 181.08 1rmm n LYS 158 N -4.23 1.93 -3.85 0.06 5.02 -1.00 -4.94 118.16 111.16 1rmm n LYS 158 Ca 0.01 -1.37 -0.29 0.00 -2.02 0.00 0.00 58.31 54.64 1rmm n LYS 158 Cb 0.29 -1.46 0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1rmm n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1rmm n ASN 159 N 0.63 -5.03 0.00 4.39 5.15 -0.45 -4.79 115.26 115.16 1rmm n ASN 159 Ca 0.17 -0.73 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 1rmm n ASN 159 Cb 0.43 -4.12 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 1rmm n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rmm n GLY 160 N -1.75 4.36 3.18 8.20 0.00 -0.54 -4.34 105.19 114.29 1rmm n GLY 160 Ca 0.03 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1rmm n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rmm s ILE 161 N -0.46 0.67 0.01 -0.61 -4.36 -0.72 -0.33 121.20 115.40 1rmm s ILE 161 Ca 0.00 -1.94 0.07 0.00 -0.26 0.00 0.00 60.65 58.52 1rmm s ILE 161 Cb 0.00 -1.79 -0.02 0.00 1.25 0.00 0.00 42.46 41.90 1rmm s ILE 161 CO 0.00 -0.77 -0.23 -0.54 0.24 0.00 0.00 174.94 173.64 1rmm s LYS 162 N -3.86 1.74 0.01 0.37 1.02 -0.09 -1.71 119.74 117.21 1rmm s LYS 162 Ca 0.15 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.28 1rmm s LYS 162 Cb 0.06 -1.75 -0.01 0.00 -0.52 0.00 0.00 37.83 35.60 1rmm s LYS 162 CO -0.03 0.47 -0.09 0.08 -0.92 0.00 0.00 175.35 174.86 1rmm s VAL 163 N -0.63 0.69 -0.03 3.17 1.01 -0.17 -1.43 120.40 123.02 1rmm s VAL 163 Ca 0.09 -0.54 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1rmm s VAL 163 Cb -0.09 -0.61 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1rmm s VAL 163 CO 0.00 0.08 0.32 0.54 0.00 0.00 0.00 175.10 176.04 1rmm s ASN 164 N -0.52 -0.22 0.04 3.32 4.22 -0.48 -1.02 114.94 120.28 1rmm s ASN 164 Ca 0.01 0.17 -0.28 0.00 -2.14 0.00 0.00 52.86 50.62 1rmm s ASN 164 Cb -0.05 0.37 0.10 0.00 1.28 0.00 0.00 41.25 42.94 1rmm s ASN 164 CO 0.00 -0.41 1.08 0.72 -2.04 0.00 0.00 177.10 176.45 1rmm s PHE 165 N -1.13 -0.13 -0.09 1.54 -0.71 -1.09 -2.07 117.98 114.29 1rmm s PHE 165 Ca -0.12 -0.06 0.04 0.00 -1.04 0.00 0.00 56.93 55.76 1rmm s PHE 165 Cb -0.05 0.58 -0.00 0.00 -1.21 0.00 0.00 43.02 42.34 1rmm s PHE 165 CO 0.04 -0.54 -0.24 0.15 -1.34 0.00 0.00 175.22 173.29 1rmm s LYS 166 N -2.89 2.93 -0.14 1.99 1.02 -1.26 -0.89 119.74 120.49 1rmm s LYS 166 Ca 0.11 -0.86 -0.07 0.00 0.02 0.00 0.00 55.97 55.17 1rmm s LYS 166 Cb 0.01 -2.25 -0.04 0.00 -0.52 0.00 0.00 37.83 35.03 1rmm s LYS 166 CO -0.02 0.20 0.11 0.42 -0.92 0.00 0.00 175.35 175.14 1rmm s ILE 167 N 0.29 5.27 -0.35 2.17 -1.09 0.17 -4.90 121.20 122.77 1rmm s ILE 167 Ca -0.17 0.12 -0.08 0.00 -2.23 0.00 0.00 60.65 58.30 1rmm s ILE 167 Cb -0.17 -3.32 0.03 0.00 -1.58 0.00 0.00 42.46 37.42 1rmm s ILE 167 CO 0.08 0.56 0.14 -0.13 -1.23 0.00 0.00 174.94 174.36 1rmm s ARG 168 N -0.55 2.71 -0.26 2.79 0.52 -1.26 -0.89 118.95 122.01 1rmm s ARG 168 Ca 0.12 -1.13 -0.12 0.00 -0.52 0.00 0.00 55.73 54.09 1rmm s ARG 168 Cb -0.12 -3.54 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 1rmm s ARG 168 CO 0.02 -0.66 0.21 -1.01 0.02 0.00 0.00 175.30 173.88 1rmm s HIS 169 N 1.46 3.27 0.18 -0.53 3.76 -0.19 -4.53 115.29 118.70 1rmm s HIS 169 Ca -0.00 0.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.83 1rmm s HIS 169 Cb -0.19 -2.37 -0.09 0.00 1.11 0.00 0.00 32.58 31.04 1rmm s HIS 169 CO 0.04 -0.07 1.35 -0.80 -0.85 0.00 0.00 174.74 174.41 1rmm s ASN 170 N 1.42 6.85 0.13 1.40 0.02 -1.26 -0.53 114.94 122.96 1rmm s ASN 170 Ca 0.09 2.40 0.02 0.00 -1.02 0.00 0.00 52.86 54.36 1rmm s ASN 170 Cb -0.15 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.48 1rmm s ASN 170 CO 0.08 -0.58 0.23 -0.63 0.02 0.00 0.00 177.10 176.22 1rmm s ILE 171 N 0.41 5.16 0.60 0.60 1.01 -0.72 -1.39 121.20 126.87 1rmm s ILE 171 Ca 0.59 -0.69 0.29 0.00 0.00 0.00 0.00 60.65 60.84 1rmm s ILE 171 Cb -0.37 -3.62 0.37 0.00 0.01 0.00 0.00 42.46 38.85 1rmm s ILE 171 CO 0.36 -0.03 1.95 -0.33 0.00 0.00 0.00 174.94 176.89 1rmm h GLU 172 N 2.45 0.00 -0.22 2.79 5.08 -1.36 -1.34 114.58 121.98 1rmm h GLU 172 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1rmm h GLU 172 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1rmm h GLU 172 CO 0.69 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.30 1rmm n ASP 173 N -3.66 1.64 0.00 1.42 5.68 -1.26 -4.90 116.55 115.47 1rmm n ASP 173 Ca 0.06 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 1rmm n ASP 173 Cb 0.56 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.40 1rmm n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rmm n GLY 174 N 1.08 2.67 0.00 6.12 0.00 -0.50 -5.06 105.19 109.49 1rmm n GLY 174 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1rmm n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rmm n SER 175 N 0.00 -0.29 -4.04 1.61 2.88 -1.25 -4.80 113.62 107.73 1rmm n SER 175 Ca 0.00 -0.68 -0.16 0.00 -1.33 0.00 0.00 58.87 56.69 1rmm n SER 175 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1rmm n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1rmm s VAL 176 N -0.83 0.65 -0.23 2.46 1.01 -1.26 -1.75 120.40 120.44 1rmm s VAL 176 Ca 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1rmm s VAL 176 Cb 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1rmm s VAL 176 CO 0.00 -0.02 -0.07 -1.58 0.00 0.00 0.00 175.10 173.43 1rmm s GLN 177 N -0.74 3.08 0.17 2.72 2.00 0.31 -4.91 119.66 122.28 1rmm s GLN 177 Ca -0.01 -0.82 -0.20 0.00 -2.00 0.00 0.00 55.36 52.34 1rmm s GLN 177 Cb -0.06 -2.96 -0.08 0.00 0.80 0.00 0.00 33.01 30.72 1rmm s GLN 177 CO 0.00 -0.30 0.68 -0.51 -0.50 0.00 0.00 175.29 174.66 1rmm s LEU 178 N 1.39 4.42 -0.27 3.68 1.43 -1.26 -1.02 118.68 127.05 1rmm s LEU 178 Ca 0.03 1.38 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 1rmm s LEU 178 Cb -0.15 -3.36 0.09 0.00 0.03 0.00 0.00 46.19 42.79 1rmm s LEU 178 CO -0.05 0.12 0.07 0.00 0.23 0.00 0.00 176.35 176.72 1rmm s ALA 179 N -1.37 1.31 -0.07 4.21 0.00 -0.07 -1.20 121.76 124.57 1rmm s ALA 179 Ca 0.38 -1.30 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 1rmm s ALA 179 Cb -0.18 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1rmm s ALA 179 CO 0.21 -1.49 0.89 -0.51 0.00 0.00 0.00 175.76 174.86 1rmm s ASP 180 N 1.73 7.16 -0.16 0.00 1.01 -0.31 -0.65 116.67 125.45 1rmm s ASP 180 Ca 0.05 1.42 -0.04 0.00 0.71 0.00 0.00 52.55 54.70 1rmm s ASP 180 Cb -0.17 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.23 1rmm s ASP 180 CO -0.20 -0.30 -0.04 -1.00 0.21 0.00 0.00 175.17 173.84 1rmm s HIS 181 N 1.42 3.01 -0.08 4.23 3.76 -0.07 -0.44 115.29 127.11 1rmm s HIS 181 Ca 0.45 -0.38 0.05 0.00 -0.15 0.00 0.00 55.06 55.03 1rmm s HIS 181 Cb -0.19 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.53 1rmm s HIS 181 CO 0.20 -0.10 -0.23 0.71 -0.85 0.00 0.00 174.74 174.47 1rmm s TYR 182 N 0.49 2.39 0.02 1.40 2.02 -0.68 -2.67 117.35 120.32 1rmm s TYR 182 Ca -0.04 -0.88 0.01 0.00 -0.37 0.00 0.00 57.07 55.79 1rmm s TYR 182 Cb -0.14 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1rmm s TYR 182 CO 0.03 -0.33 -0.05 -1.14 -1.57 0.00 0.00 175.55 172.49 1rmm s GLN 183 N 0.20 0.36 -0.02 -0.62 0.74 -0.19 -1.82 119.66 118.31 1rmm s GLN 183 Ca -0.13 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 54.79 1rmm s GLN 183 Cb -0.16 -0.14 0.02 0.00 1.10 0.00 0.00 33.01 33.82 1rmm s GLN 183 CO 0.07 0.02 -0.01 -1.14 -0.55 0.00 0.00 175.29 173.68 1rmm s GLN 184 N -1.05 0.29 -0.05 1.67 0.74 -0.21 -1.00 119.66 120.06 1rmm s GLN 184 Ca -0.08 0.00 0.04 0.00 0.05 0.00 0.00 55.36 55.38 1rmm s GLN 184 Cb -0.07 -0.40 -0.00 0.00 1.10 0.00 0.00 33.01 33.64 1rmm s GLN 184 CO -0.00 -0.06 -0.18 -0.80 -0.55 0.00 0.00 175.29 173.70 1rmm s ASN 185 N 0.62 2.28 0.08 6.67 -0.87 -0.70 -0.61 114.94 122.42 1rmm s ASN 185 Ca -0.06 -0.38 0.04 0.00 -1.57 0.00 0.00 52.86 50.89 1rmm s ASN 185 Cb -0.09 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.25 40.44 1rmm s ASN 185 CO -0.01 0.16 -0.11 0.42 -2.57 0.00 0.00 177.10 174.99 1rmm s THR 186 N 0.06 0.92 0.48 1.60 -4.23 -0.57 -1.75 115.64 112.14 1rmm s THR 186 Ca -0.05 -1.45 -0.20 0.00 -1.18 0.00 0.00 61.69 58.81 1rmm s THR 186 Cb -0.12 -1.15 -0.09 0.00 1.34 0.00 0.00 72.50 72.48 1rmm s THR 186 CO 0.03 -0.44 1.01 -2.84 -0.54 0.00 0.00 174.62 171.84 1rmm s PRO 187 N -2.29 3.90 -0.13 3.99 0.02 -1.26 -0.48 135.00 138.75 1rmm s PRO 187 Ca 0.01 1.25 -0.19 0.00 0.02 0.00 0.00 61.00 62.08 1rmm s PRO 187 Cb -0.06 -2.12 -0.26 0.00 0.02 0.00 0.00 34.50 32.08 1rmm s PRO 187 CO 0.01 -0.33 0.54 0.82 -0.33 0.00 0.00 177.00 177.71 1rmm h ILE 188 N 1.53 1.15 -3.24 2.83 2.04 -1.09 -3.44 117.51 117.30 1rmm h ILE 188 Ca -0.49 -2.35 -0.37 0.00 1.00 0.00 0.00 64.86 62.65 1rmm h ILE 188 Cb 1.21 2.75 0.18 0.00 -0.74 0.00 0.00 36.82 40.21 1rmm h ILE 188 CO 0.60 0.61 0.12 0.61 0.00 0.00 0.00 178.15 180.09 1rmm n GLY 189 N 1.65 -2.68 0.00 5.37 0.00 -1.26 -4.96 105.19 103.32 1rmm n GLY 189 Ca -0.23 -1.50 0.09 0.00 0.00 0.00 0.00 46.02 44.38 1rmm n GLY 189 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1rmm n ASP 190 N -4.67 0.76 -4.04 1.61 2.03 -1.26 -5.00 116.55 105.97 1rmm n ASP 190 Ca 0.14 -0.57 -0.29 0.00 0.52 0.00 0.00 54.79 54.59 1rmm n ASP 190 Cb 0.54 1.35 0.20 0.00 -0.72 0.00 0.00 41.12 42.49 1rmm n ASP 190 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rmm n GLY 191 N 1.43 -2.62 3.83 0.27 0.00 -1.26 -4.97 105.19 101.87 1rmm n GLY 191 Ca 0.01 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 1rmm n GLY 191 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1rmm s PRO 192 N -3.78 3.52 0.07 1.61 0.02 -1.26 -5.08 135.00 130.09 1rmm s PRO 192 Ca 0.55 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.55 1rmm s PRO 192 Cb -0.13 -2.07 -0.04 0.00 0.02 0.00 0.00 34.50 32.28 1rmm s PRO 192 CO 0.58 -0.63 -0.05 0.14 -0.33 0.00 0.00 177.00 176.71 1rmm s VAL 193 N -2.78 0.46 -0.15 3.83 -7.23 -1.26 -4.77 120.40 108.50 1rmm s VAL 193 Ca 0.59 -1.87 -0.23 0.00 -1.81 0.00 0.00 61.98 58.66 1rmm s VAL 193 Cb -0.13 -1.60 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 1rmm s VAL 193 CO 0.42 -0.94 0.71 -0.76 -0.31 0.00 0.00 175.10 174.23 1rmm s LEU 194 N -2.98 4.20 -0.29 1.32 1.02 -1.26 -5.04 118.68 115.65 1rmm s LEU 194 Ca 0.09 1.04 -0.09 0.00 0.02 0.00 0.00 54.13 55.19 1rmm s LEU 194 Cb 0.07 -3.05 -0.02 0.00 0.02 0.00 0.00 46.19 43.20 1rmm s LEU 194 CO -0.07 -0.27 0.14 -0.76 0.02 0.00 0.00 176.35 175.40 1rmm s LEU 195 N 1.70 3.93 0.66 1.79 1.43 -1.26 -3.97 118.68 122.96 1rmm s LEU 195 Ca 0.34 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 1rmm s LEU 195 Cb -0.16 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.03 1rmm s LEU 195 CO 0.13 -0.12 1.05 -2.16 0.23 0.00 0.00 176.35 175.47 1rmm s PRO 196 N 1.65 3.22 0.56 1.29 0.04 -1.26 -4.93 135.00 135.57 1rmm s PRO 196 Ca 0.06 0.87 -0.06 0.00 0.04 0.00 0.00 61.00 61.90 1rmm s PRO 196 Cb -0.16 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1rmm s PRO 196 CO 0.07 -0.87 0.88 -0.51 0.04 0.00 0.00 177.00 176.60 1rmm s ASP 197 N -3.94 5.89 0.29 6.66 1.01 -1.26 -3.52 116.67 121.81 1rmm s ASP 197 Ca 0.57 0.88 -0.30 0.00 0.71 0.00 0.00 52.55 54.41 1rmm s ASP 197 Cb -0.13 -1.99 -0.12 0.00 1.01 0.00 0.00 42.92 41.69 1rmm s ASP 197 CO 0.54 -0.88 1.55 0.59 0.21 0.00 0.00 175.17 177.18 1rmm n ASN 198 N -2.50 3.64 -2.46 0.27 3.02 -1.26 -4.82 115.26 111.14 1rmm n ASN 198 Ca 0.03 1.16 -0.05 0.00 -0.03 0.00 0.00 54.58 55.69 1rmm n ASN 198 Cb 0.56 -1.57 0.02 0.00 -0.61 0.00 0.00 39.78 38.19 1rmm n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rmm n HIS 199 N 1.89 -1.66 -4.11 3.10 1.44 -1.03 -4.86 115.22 109.99 1rmm n HIS 199 Ca 0.08 -1.19 -0.10 0.00 -2.01 0.00 0.00 57.72 54.50 1rmm n HIS 199 Cb 0.36 0.59 -0.09 0.00 0.12 0.00 0.00 29.99 30.97 1rmm n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1rmm s TYR 200 N -3.65 0.81 -0.08 -1.40 -0.85 -0.47 -1.10 117.35 110.62 1rmm s TYR 200 Ca 0.14 -1.14 0.03 0.00 -0.52 0.00 0.00 57.07 55.57 1rmm s TYR 200 Cb -0.03 -0.36 -0.02 0.00 0.38 0.00 0.00 41.96 41.93 1rmm s TYR 200 CO 0.07 -0.63 -0.15 -0.51 -1.52 0.00 0.00 175.55 172.80 1rmm s LEU 201 N -3.06 2.63 -0.22 -3.49 1.43 -0.38 -0.44 118.68 115.15 1rmm s LEU 201 Ca 0.27 -0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 52.98 1rmm s LEU 201 Cb 0.06 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1rmm s LEU 201 CO 0.05 0.26 0.12 -0.55 0.23 0.00 0.00 176.35 176.46 1rmm s SER 202 N -0.24 5.91 0.02 2.29 0.15 0.30 -0.45 113.70 121.68 1rmm s SER 202 Ca 0.01 0.09 0.06 0.00 0.70 0.00 0.00 55.95 56.81 1rmm s SER 202 Cb -0.13 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.11 1rmm s SER 202 CO 0.03 0.10 -0.19 0.42 1.20 0.00 0.00 173.24 174.80 1rmm s THR 203 N 0.85 1.51 0.01 6.45 -4.23 -0.18 -1.76 115.64 118.29 1rmm s THR 203 Ca 0.06 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 1rmm s THR 203 Cb -0.13 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.40 1rmm s THR 203 CO 0.03 0.25 -0.03 0.00 -0.54 0.00 0.00 174.62 174.32 1rmm s GLN 204 N -0.90 0.27 0.01 3.99 -2.07 -0.23 -1.85 119.66 118.86 1rmm s GLN 204 Ca 0.06 -0.30 -0.04 0.00 -1.82 0.00 0.00 55.36 53.26 1rmm s GLN 204 Cb -0.08 -0.14 -0.01 0.00 -1.09 0.00 0.00 33.01 31.70 1rmm s GLN 204 CO 0.01 0.03 0.08 -1.12 -1.32 0.00 0.00 175.29 172.96 1rmm s SER 205 N -0.58 0.09 -0.05 12.60 0.01 -1.26 -0.77 113.70 123.74 1rmm s SER 205 Ca -0.04 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1rmm s SER 205 Cb -0.04 0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.38 1rmm s SER 205 CO -0.00 -0.32 -0.06 0.00 0.41 0.00 0.00 173.24 173.27 1rmm s ALA 206 N -1.28 0.77 -0.08 1.44 0.00 0.25 -4.60 121.76 118.26 1rmm s ALA 206 Ca -0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1rmm s ALA 206 Cb -0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1rmm s ALA 206 CO 0.01 0.03 0.03 -0.51 0.00 0.00 0.00 175.76 175.31 1rmm s LEU 207 N 0.80 3.71 0.00 0.00 1.43 -1.26 -1.40 118.68 121.96 1rmm s LEU 207 Ca -0.12 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1rmm s LEU 207 Cb -0.14 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1rmm s LEU 207 CO 0.01 0.38 0.43 -1.54 0.23 0.00 0.00 176.35 175.85 1rmm n SER 208 N 2.05 -1.18 -4.19 2.29 3.41 -0.27 -4.94 113.62 110.79 1rmm n SER 208 Ca -0.18 -2.79 -0.21 0.00 -0.26 0.00 0.00 58.87 55.43 1rmm n SER 208 Cb 0.54 2.25 -0.13 0.00 -0.26 0.00 0.00 64.21 66.61 1rmm n SER 208 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1rmm s LYS 209 N -2.81 0.99 -0.43 4.33 2.47 -1.26 -1.43 119.74 121.60 1rmm s LYS 209 Ca 0.28 -0.91 -0.22 0.00 -1.56 0.00 0.00 55.97 53.56 1rmm s LYS 209 Cb -0.01 -1.05 0.02 0.00 -1.46 0.00 0.00 37.83 35.33 1rmm s LYS 209 CO 0.20 0.25 0.75 0.34 0.16 0.00 0.00 175.35 177.05 1rmm s ASP 210 N -1.45 6.41 0.58 1.43 -1.08 -1.26 -4.96 116.67 116.35 1rmm s ASP 210 Ca 0.02 -0.07 0.28 0.00 -0.52 0.00 0.00 52.55 52.26 1rmm s ASP 210 Cb -0.09 -2.37 1.53 0.00 -1.46 0.00 0.00 42.92 40.53 1rmm s ASP 210 CO 0.02 -0.84 1.98 1.55 0.52 0.00 0.00 175.17 178.40 1rmm h PRO 211 N 8.85 0.00 -0.01 4.34 0.13 -2.04 0.02 132.00 143.30 1rmm h PRO 211 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1rmm h PRO 211 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1rmm h PRO 211 CO 0.93 0.00 -0.10 0.09 -0.23 0.00 0.00 178.00 178.69 1rmm n ASN 212 N -3.82 1.53 -4.64 1.44 3.02 -1.26 -4.89 115.26 106.64 1rmm n ASN 212 Ca 0.06 -1.36 -0.39 0.00 -0.03 0.00 0.00 54.58 52.86 1rmm n ASN 212 Cb 0.54 0.07 -0.07 0.00 -0.61 0.00 0.00 39.78 39.71 1rmm n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1rmm s GLU 213 N -2.18 4.13 0.19 3.52 2.56 -0.01 -4.92 118.70 121.98 1rmm s GLU 213 Ca 0.32 0.31 0.22 0.00 0.00 0.00 0.00 54.97 55.82 1rmm s GLU 213 Cb 0.20 -3.60 -0.02 0.00 2.00 0.00 0.00 34.13 32.71 1rmm s GLU 213 CO 0.40 -0.21 1.01 1.63 -0.56 0.00 0.00 175.26 177.53 1rmm n LYS 214 N 5.05 0.61 -1.74 4.30 4.76 -1.26 -4.90 118.16 124.98 1rmm n LYS 214 Ca -0.05 0.13 -0.31 0.00 -2.87 0.00 0.00 58.31 55.20 1rmm n LYS 214 Cb 0.50 -1.82 0.03 0.00 -1.84 0.00 0.00 35.03 31.90 1rmm n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1rmm s ARG 215 N -3.33 3.25 0.10 1.97 0.52 -1.26 -4.98 118.95 115.21 1rmm s ARG 215 Ca -0.01 0.89 -0.31 0.00 -0.52 0.00 0.00 55.73 55.78 1rmm s ARG 215 Cb 0.10 -2.03 -0.08 0.00 0.52 0.00 0.00 34.95 33.46 1rmm s ARG 215 CO 0.79 -0.85 1.43 0.34 0.02 0.00 0.00 175.30 177.04 1rmm s ASP 216 N -3.86 6.78 0.33 0.23 -1.08 -1.26 -4.95 116.67 112.85 1rmm s ASP 216 Ca 0.57 2.34 -0.18 0.00 -0.52 0.00 0.00 52.55 54.76 1rmm s ASP 216 Cb -0.13 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.79 1rmm s ASP 216 CO 0.53 -0.70 0.78 -1.38 0.52 0.00 0.00 175.17 174.92 1rmm s HIS 217 N 1.43 -0.01 -0.15 -5.34 -3.43 -1.26 -1.36 115.29 105.17 1rmm s HIS 217 Ca 0.66 -0.56 -0.10 0.00 -0.80 0.00 0.00 55.06 54.26 1rmm s HIS 217 Cb -0.37 0.78 0.05 0.00 -1.43 0.00 0.00 32.58 31.60 1rmm s HIS 217 CO 0.30 -1.38 0.37 1.41 -2.00 0.00 0.00 174.74 173.44 1rmm s MET 218 N -2.94 0.38 -0.09 -0.38 0.00 -0.80 -4.98 119.30 110.48 1rmm s MET 218 Ca 0.14 0.65 -0.03 0.00 0.00 0.00 0.00 55.69 56.45 1rmm s MET 218 Cb -0.05 0.05 -0.03 0.00 0.00 0.00 0.00 34.83 34.80 1rmm s MET 218 CO 0.09 -0.12 0.02 0.08 0.00 0.00 0.00 175.02 175.09 1rmm s VAL 219 N 0.91 4.47 -0.02 10.11 1.01 -0.51 -0.52 120.40 135.85 1rmm s VAL 219 Ca -0.06 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1rmm s VAL 219 Cb -0.06 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1rmm s VAL 219 CO -0.07 0.60 -0.03 -0.22 0.00 0.00 0.00 175.10 175.38 1rmm s LEU 220 N -0.86 1.60 -0.09 3.92 2.96 -0.12 -1.11 118.68 124.99 1rmm s LEU 220 Ca 0.13 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1rmm s LEU 220 Cb -0.11 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.31 1rmm s LEU 220 CO 0.02 -0.02 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.62 1rmm s LEU 221 N 0.47 1.91 -0.01 -0.68 2.96 -0.49 -1.52 118.68 121.32 1rmm s LEU 221 Ca -0.05 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 1rmm s LEU 221 Cb -0.08 -1.19 0.00 0.00 0.50 0.00 0.00 46.19 45.42 1rmm s LEU 221 CO -0.01 0.10 0.04 -0.70 -1.32 0.00 0.00 176.35 174.47 1rmm s GLU 222 N 0.51 0.11 -0.08 1.98 2.12 -0.33 -0.58 118.70 122.44 1rmm s GLU 222 Ca -0.16 -0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.16 1rmm s GLU 222 Cb -0.17 0.05 -0.00 0.00 0.26 0.00 0.00 34.13 34.27 1rmm s GLU 222 CO 0.06 -0.02 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.49 1rmm s PHE 223 N -0.24 2.28 -0.04 5.30 0.08 0.05 -0.67 117.98 124.73 1rmm s PHE 223 Ca -0.03 -0.85 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 1rmm s PHE 223 Cb -0.02 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 40.93 1rmm s PHE 223 CO 0.00 -0.33 0.03 0.08 -0.10 0.00 0.00 175.22 174.89 1rmm s VAL 224 N 0.27 0.05 0.02 -0.44 1.01 0.37 -1.07 120.40 120.60 1rmm s VAL 224 Ca -0.14 0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1rmm s VAL 224 Cb -0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 1rmm s VAL 224 CO 0.07 0.16 -0.10 0.42 0.00 0.00 0.00 175.10 175.65 1rmm s THR 225 N 1.61 0.81 0.36 3.92 -4.23 -0.72 -0.72 115.64 116.66 1rmm s THR 225 Ca -0.02 -0.68 -0.24 0.00 -1.18 0.00 0.00 61.69 59.57 1rmm s THR 225 Cb -0.13 -0.72 -0.10 0.00 1.34 0.00 0.00 72.50 72.89 1rmm s THR 225 CO -0.03 0.05 0.93 0.00 -0.54 0.00 0.00 174.62 175.03 1rmm s ALA 226 N -0.59 3.15 0.30 3.99 0.00 0.02 -0.54 121.76 128.09 1rmm s ALA 226 Ca 0.01 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.29 1rmm s ALA 226 Cb -0.06 -3.15 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1rmm s ALA 226 CO 0.00 0.17 0.67 0.00 0.00 0.00 0.00 175.76 176.60 1rmm n ALA 227 N 0.07 -1.53 0.00 0.00 0.00 0.42 -4.61 120.51 114.85 1rmm n ALA 227 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.47 1rmm n ALA 227 Cb 0.52 0.78 0.00 0.00 0.00 0.00 0.00 19.45 20.75 1rmm n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rmm n GLY 228 N -0.45 0.73 0.00 0.00 0.00 -1.26 -1.36 105.19 102.85 1rmm n GLY 228 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1rmm n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71