#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmx s SER 2 N 0.00 6.75 -0.90 1.61 1.04 -1.26 -4.90 113.70 116.04 2rmx s SER 2 Ca 0.00 2.13 -0.25 0.00 0.48 0.00 0.00 55.95 58.31 2rmx s SER 2 Cb 0.00 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 2rmx s SER 2 CO 0.00 -0.85 2.04 -0.55 0.98 0.00 0.00 173.24 174.86 2rmx s SER 3 N 2.69 4.86 0.00 7.02 0.15 -1.26 -4.61 113.70 122.55 2rmx s SER 3 Ca 0.68 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2rmx s SER 3 Cb -0.31 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.44 2rmx s SER 3 CO 0.26 -3.03 0.00 0.61 1.20 0.00 0.00 173.24 172.29 2rmx n GLY 4 N 6.76 1.21 3.65 9.45 0.00 -1.26 -5.00 105.19 120.01 2rmx n GLY 4 Ca 0.42 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.52 2rmx n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rmx s SER 5 N -0.41 6.32 -0.05 1.61 0.15 -1.26 -4.99 113.70 115.08 2rmx s SER 5 Ca 0.00 0.37 -0.25 0.00 0.70 0.00 0.00 55.95 56.77 2rmx s SER 5 Cb 0.00 -2.20 -0.20 0.00 -1.71 0.00 0.00 66.02 61.91 2rmx s SER 5 CO 0.00 -0.07 1.05 0.77 1.20 0.00 0.00 173.24 176.18 2rmx h SER 6 N 7.61 -0.07 0.00 5.45 4.64 -1.94 -3.50 113.55 125.74 2rmx h SER 6 Ca -0.35 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.44 2rmx h SER 6 Cb 1.16 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2rmx h SER 6 CO 0.68 0.53 0.00 0.61 -0.87 0.00 0.00 176.83 177.78 2rmx n GLY 7 N 0.58 0.21 0.83 -0.77 0.00 -1.26 -5.00 105.19 99.78 2rmx n GLY 7 Ca -0.08 0.52 0.02 0.00 0.00 0.00 0.00 46.02 46.47 2rmx n GLY 7 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rmx n TRP 8 N 0.00 0.51 -3.72 1.61 -0.00 -1.26 -4.86 117.44 109.72 2rmx n TRP 8 Ca 0.00 -1.51 -0.37 0.00 -0.00 0.00 0.00 57.50 55.63 2rmx n TRP 8 Cb 0.00 -0.36 -0.10 0.00 -0.00 0.00 0.00 31.31 30.85 2rmx n TRP 8 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 177.69 177.22 2rmx s TYR 9 N -3.22 3.24 -0.09 -2.67 5.04 -1.26 0.22 117.35 118.61 2rmx s TYR 9 Ca 0.41 0.06 -0.11 0.00 -2.44 0.00 0.00 57.07 54.99 2rmx s TYR 9 Cb 0.38 -2.26 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 2rmx s TYR 9 CO -0.03 -0.05 -0.21 0.72 -1.34 0.00 0.00 175.55 174.64 2rmx n HIS 10 N 4.47 0.00 0.00 4.97 8.25 -0.19 -4.96 115.22 127.75 2rmx n HIS 10 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2rmx n HIS 10 Cb 0.52 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.33 2rmx n HIS 10 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2rmx n GLY 11 N 1.96 1.13 3.55 -1.41 0.00 -1.26 -4.90 105.19 104.27 2rmx n GLY 11 Ca -0.08 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2rmx n GLY 11 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rmx n HIS 12 N 0.00 1.65 -3.61 1.61 8.25 -1.26 -2.21 115.22 119.65 2rmx n HIS 12 Ca 0.00 0.05 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 2rmx n HIS 12 Cb 0.00 -2.65 -0.05 0.00 1.12 0.00 0.00 29.99 28.41 2rmx n HIS 12 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2rmx s MET 13 N 7.09 0.38 0.20 -0.41 0.00 -1.26 -5.02 119.30 120.28 2rmx s MET 13 Ca 1.03 0.17 0.11 0.00 0.00 0.00 0.00 55.69 57.00 2rmx s MET 13 Cb -0.43 0.18 -0.04 0.00 0.00 0.00 0.00 34.83 34.54 2rmx s MET 13 CO 0.36 -0.10 -0.21 -1.54 0.00 0.00 0.00 175.02 173.52 2rmx s SER 14 N -0.76 3.60 0.25 1.11 1.04 -1.26 -4.81 113.70 112.86 2rmx s SER 14 Ca 0.03 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.50 2rmx s SER 14 Cb -0.02 -0.34 0.35 0.00 0.10 0.00 0.00 66.02 66.11 2rmx s SER 14 CO -0.04 0.11 1.57 1.23 0.98 0.00 0.00 173.24 177.08 2rmx h GLY 15 N 3.04 0.46 0.44 7.32 0.00 -1.99 0.13 103.07 112.46 2rmx h GLY 15 Ca -0.46 0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.31 2rmx h GLY 15 CO 0.50 -0.30 -0.08 -1.33 0.00 0.00 0.00 176.54 175.33 2rmx h GLY 16 N -0.01 0.16 0.79 4.60 0.00 -2.00 -2.05 103.07 104.55 2rmx h GLY 16 Ca 0.41 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 2rmx h GLY 16 CO -0.96 -0.11 -0.41 -1.61 0.00 0.00 0.00 176.54 173.45 2rmx h GLN 17 N -0.03 -1.05 -0.99 4.80 5.75 -1.22 -2.82 115.11 119.55 2rmx h GLN 17 Ca 0.13 0.07 0.27 0.00 -0.15 0.00 0.00 58.65 58.97 2rmx h GLN 17 Cb 0.22 0.24 -0.18 0.00 1.07 0.00 0.00 27.48 28.83 2rmx h GLN 17 CO -0.28 -0.70 0.02 0.00 -2.65 0.00 0.00 178.83 175.21 2rmx n ALA 18 N -2.58 0.50 -0.16 3.38 0.00 -0.24 0.85 120.51 122.27 2rmx n ALA 18 Ca -0.14 1.06 -0.03 0.00 0.00 0.00 0.00 53.44 54.33 2rmx n ALA 18 Cb 0.44 -0.77 0.06 0.00 0.00 0.00 0.00 19.45 19.17 2rmx n ALA 18 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2rmx h GLU 19 N 0.00 0.33 0.47 0.00 5.08 -1.18 0.11 114.58 119.40 2rmx h GLU 19 Ca 0.60 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.92 2rmx h GLU 19 Cb 1.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2rmx h GLU 19 CO -0.93 0.22 -0.23 1.15 -1.00 0.00 0.00 179.01 178.22 2rmx h THR 20 N 0.34 0.54 -0.25 1.13 2.02 0.69 0.24 112.91 117.62 2rmx h THR 20 Ca 0.23 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.44 2rmx h THR 20 Cb 0.25 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 2rmx h THR 20 CO -0.24 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.54 2rmx h LEU 21 N -0.65 -0.19 0.86 2.58 4.07 -1.04 0.25 115.31 121.19 2rmx h LEU 21 Ca -0.06 0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 2rmx h LEU 21 Cb 0.49 0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.38 2rmx h LEU 21 CO 0.11 -0.06 -0.42 -0.07 -1.08 0.00 0.00 178.44 176.92 2rmx h LEU 22 N 0.02 -0.98 -0.16 1.67 3.38 -0.70 -2.45 115.31 116.09 2rmx h LEU 22 Ca 0.12 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2rmx h LEU 22 Cb 0.18 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 2rmx h LEU 22 CO -0.24 -0.69 -0.41 1.56 0.09 0.00 0.00 178.44 178.75 2rmx h GLN 23 N -1.19 -0.45 -0.91 1.13 4.20 -0.42 -1.02 115.11 116.45 2rmx h GLN 23 Ca -0.12 0.03 0.26 0.00 0.06 0.00 0.00 58.65 58.88 2rmx h GLN 23 Cb 0.89 0.10 -0.16 0.00 0.30 0.00 0.00 27.48 28.61 2rmx h GLN 23 CO 0.19 -0.30 0.19 0.00 -0.67 0.00 0.00 178.83 178.24 2rmx h ALA 24 N 0.18 1.29 -0.84 3.87 0.00 -0.52 0.80 119.26 124.04 2rmx h ALA 24 Ca 0.08 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.31 2rmx h ALA 24 Cb 0.61 0.41 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2rmx h ALA 24 CO -0.41 -0.54 0.55 -0.22 0.00 0.00 0.00 179.25 178.63 2rmx h LYS 25 N 0.12 0.97 -2.01 0.00 1.63 -0.69 -3.46 116.57 113.13 2rmx h LYS 25 Ca 0.58 -0.06 -0.33 0.00 -0.85 0.00 0.00 60.65 60.00 2rmx h LYS 25 Cb 1.22 -0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 32.60 2rmx h LYS 25 CO -0.74 0.64 -0.40 0.41 -3.45 0.00 0.00 179.45 175.91 2rmx n GLY 26 N -1.41 0.11 3.41 5.01 0.00 0.28 -4.98 105.19 107.60 2rmx n GLY 26 Ca 0.12 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2rmx n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rmx s GLU 27 N -4.52 3.59 0.38 1.61 2.02 -1.26 -5.01 118.70 115.51 2rmx s GLU 27 Ca 0.00 -0.51 -0.26 0.00 0.02 0.00 0.00 54.97 54.21 2rmx s GLU 27 Cb 0.00 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.91 2rmx s GLU 27 CO 0.00 -0.18 1.20 -1.25 0.02 0.00 0.00 175.26 175.05 2rmx s PRO 28 N 1.55 4.13 -1.03 0.39 0.04 -1.26 -3.32 135.00 135.50 2rmx s PRO 28 Ca 0.06 1.92 -0.03 0.00 0.04 0.00 0.00 61.00 62.99 2rmx s PRO 28 Cb -0.15 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2rmx s PRO 28 CO 0.02 -0.28 0.46 0.91 0.04 0.00 0.00 177.00 178.15 2rmx n TRP 29 N 0.27 -1.40 -3.30 0.56 5.03 0.85 -4.83 117.44 114.61 2rmx n TRP 29 Ca 0.03 0.39 -0.46 0.00 3.03 0.00 0.00 57.50 60.50 2rmx n TRP 29 Cb 0.45 -3.41 -0.05 0.00 -1.03 0.00 0.00 31.31 27.27 2rmx n TRP 29 CO 0.00 0.00 0.00 0.99 -0.03 0.00 0.00 177.69 178.65 2rmx s THR 30 N -3.00 5.25 0.44 -0.99 2.01 -1.21 -2.25 115.64 115.89 2rmx s THR 30 Ca 0.23 -1.61 -0.00 0.00 0.31 0.00 0.00 61.69 60.62 2rmx s THR 30 Cb -0.10 -4.36 -0.01 0.00 0.01 0.00 0.00 72.50 68.04 2rmx s THR 30 CO 0.28 -0.90 0.67 0.72 -0.69 0.00 0.00 174.62 174.70 2rmx s PHE 31 N 1.45 3.29 -0.28 4.92 -0.71 -1.11 -1.93 117.98 123.60 2rmx s PHE 31 Ca 0.05 0.30 -0.19 0.00 -1.04 0.00 0.00 56.93 56.05 2rmx s PHE 31 Cb -0.27 -2.26 0.13 0.00 -1.21 0.00 0.00 43.02 39.41 2rmx s PHE 31 CO 0.01 -0.29 0.94 -0.48 -1.34 0.00 0.00 175.22 174.07 2rmx s LEU 32 N -4.54 -0.56 0.03 -1.99 0.05 -0.55 -1.83 118.68 109.29 2rmx s LEU 32 Ca 0.47 0.96 -0.15 0.00 0.05 0.00 0.00 54.13 55.45 2rmx s LEU 32 Cb -0.10 1.91 -0.06 0.00 -2.05 0.00 0.00 46.19 45.89 2rmx s LEU 32 CO 0.38 -0.16 0.46 -0.69 -0.55 0.00 0.00 176.35 175.79 2rmx s VAL 33 N 0.97 4.95 -0.15 1.48 1.01 0.13 -2.70 120.40 126.09 2rmx s VAL 33 Ca -0.05 0.90 -0.11 0.00 0.00 0.00 0.00 61.98 62.73 2rmx s VAL 33 Cb -0.04 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.63 2rmx s VAL 33 CO -0.12 0.53 0.39 0.00 0.00 0.00 0.00 175.10 175.90 2rmx s ARG 34 N -1.21 0.40 1.09 2.72 1.70 -1.21 -1.03 118.95 121.41 2rmx s ARG 34 Ca 0.27 0.67 -0.14 0.00 -0.47 0.00 0.00 55.73 56.06 2rmx s ARG 34 Cb -0.17 0.07 0.19 0.00 -0.57 0.00 0.00 34.95 34.46 2rmx s ARG 34 CO 0.15 -0.12 0.73 0.39 -1.08 0.00 0.00 175.30 175.37 2rmx n GLU 35 N 3.70 -1.61 -2.54 3.89 1.02 -0.94 -3.30 120.64 120.86 2rmx n GLU 35 Ca -0.19 -0.43 -0.24 0.00 -0.02 0.00 0.00 57.16 56.27 2rmx n GLU 35 Cb 0.56 -2.06 0.13 0.00 -0.02 0.00 0.00 31.44 30.05 2rmx n GLU 35 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2rmx s SER 36 N -2.27 4.09 -0.01 1.62 1.04 -1.21 -4.61 113.70 112.35 2rmx s SER 36 Ca 0.64 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 2rmx s SER 36 Cb -0.21 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 2rmx s SER 36 CO 0.64 -2.05 -0.06 0.18 0.98 0.00 0.00 173.24 172.93 2rmx n LEU 37 N -2.98 0.70 -0.09 2.42 4.77 -1.26 -4.92 117.00 115.63 2rmx n LEU 37 Ca 0.16 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 2rmx n LEU 37 Cb 0.61 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 2rmx n LEU 37 CO 0.42 -0.21 -0.83 -1.20 -1.33 0.00 0.00 177.39 174.24 2rmx n SER 38 N -3.39 1.83 -3.86 -1.43 7.64 -1.26 -4.99 113.62 108.16 2rmx n SER 38 Ca -0.06 0.31 -0.51 0.00 1.01 0.00 0.00 58.87 59.62 2rmx n SER 38 Cb 0.38 -0.71 -0.07 0.00 -1.01 0.00 0.00 64.21 62.80 2rmx n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rmx n GLN 39 N -4.29 0.00 -2.17 1.43 3.00 -1.26 -4.80 117.38 109.28 2rmx n GLN 39 Ca -0.23 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.33 2rmx n GLN 39 Cb 0.58 -1.28 -0.03 0.00 0.00 0.00 0.00 30.24 29.51 2rmx n GLN 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2rmx s PRO 40 N 0.13 4.26 -0.71 -1.09 0.04 -1.26 -3.91 135.00 132.45 2rmx s PRO 40 Ca 0.79 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.69 2rmx s PRO 40 Cb -1.10 -3.64 0.02 0.00 0.04 0.00 0.00 34.50 29.83 2rmx s PRO 40 CO 0.50 -0.64 0.43 0.41 0.04 0.00 0.00 177.00 177.74 2rmx n GLY 41 N 3.75 -0.66 3.01 0.56 0.00 -1.26 -4.93 105.19 105.65 2rmx n GLY 41 Ca 0.14 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 2rmx n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rmx s ASP 42 N -3.54 0.52 0.39 1.61 2.15 -1.25 -4.73 116.67 111.82 2rmx s ASP 42 Ca 0.21 -0.49 0.08 0.00 0.43 0.00 0.00 52.55 52.78 2rmx s ASP 42 Cb -0.12 0.06 -0.03 0.00 -0.30 0.00 0.00 42.92 42.53 2rmx s ASP 42 CO 0.63 -0.23 0.26 -0.36 -0.17 0.00 0.00 175.17 175.30 2rmx s PHE 43 N -1.31 2.70 -0.02 -5.34 0.40 -1.06 -3.36 117.98 109.98 2rmx s PHE 43 Ca -0.12 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 2rmx s PHE 43 Cb -0.09 -1.97 0.01 0.00 0.51 0.00 0.00 43.02 41.48 2rmx s PHE 43 CO -0.00 0.09 -0.01 0.08 0.70 0.00 0.00 175.22 176.08 2rmx s VAL 44 N -2.48 0.14 -0.23 -0.44 1.01 -1.21 -0.23 120.40 116.96 2rmx s VAL 44 Ca 0.43 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.36 2rmx s VAL 44 Cb -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 2rmx s VAL 44 CO 0.25 0.09 0.07 -0.22 0.00 0.00 0.00 175.10 175.29 2rmx s LEU 45 N 0.52 3.55 0.08 3.92 2.96 0.51 -3.35 118.68 126.87 2rmx s LEU 45 Ca -0.05 -0.12 0.07 0.00 -0.22 0.00 0.00 54.13 53.81 2rmx s LEU 45 Cb -0.08 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 2rmx s LEU 45 CO -0.01 0.03 -0.12 -0.94 -1.32 0.00 0.00 176.35 173.98 2rmx s SER 46 N 1.26 4.23 -0.13 3.68 1.04 -1.10 -0.45 113.70 122.23 2rmx s SER 46 Ca 0.05 -0.38 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 2rmx s SER 46 Cb -0.15 -0.78 0.05 0.00 0.10 0.00 0.00 66.02 65.24 2rmx s SER 46 CO 0.04 0.21 0.48 -0.69 0.98 0.00 0.00 173.24 174.25 2rmx s VAL 47 N -1.11 0.01 -0.52 5.02 1.01 -0.97 -1.48 120.40 122.37 2rmx s VAL 47 Ca 0.19 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.94 2rmx s VAL 47 Cb -0.11 -0.71 0.13 0.00 0.00 0.00 0.00 36.38 35.69 2rmx s VAL 47 CO 0.10 -0.06 0.43 -0.22 0.00 0.00 0.00 175.10 175.36 2rmx s LEU 48 N -0.30 5.95 0.73 3.92 2.96 -0.81 -0.39 118.68 130.74 2rmx s LEU 48 Ca -0.05 -1.93 -0.15 0.00 -0.22 0.00 0.00 54.13 51.78 2rmx s LEU 48 Cb -0.03 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.59 2rmx s LEU 48 CO 0.03 -0.75 1.15 -1.54 -1.32 0.00 0.00 176.35 173.92 2rmx n SER 49 N 4.97 1.16 0.00 3.68 3.41 -0.17 -0.11 113.62 126.56 2rmx n SER 49 Ca -0.09 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 2rmx n SER 49 Cb 0.41 -1.49 0.63 0.00 -0.26 0.00 0.00 64.21 63.49 2rmx n SER 49 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2rmx n ASP 50 N -2.36 0.00 -4.58 4.04 5.75 -1.26 -4.01 116.55 114.13 2rmx n ASP 50 Ca 0.14 -0.25 -0.42 0.00 -0.01 0.00 0.00 54.79 54.24 2rmx n ASP 50 Cb 0.49 -0.20 -0.05 0.00 -1.03 0.00 0.00 41.12 40.33 2rmx n ASP 50 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2rmx s GLN 51 N -2.41 3.72 0.49 0.11 -0.21 -1.26 -4.98 119.66 115.13 2rmx s GLN 51 Ca 0.26 0.30 -0.21 0.00 0.02 0.00 0.00 55.36 55.73 2rmx s GLN 51 Cb 0.16 -3.83 -0.07 0.00 1.00 0.00 0.00 33.01 30.28 2rmx s GLN 51 CO 0.33 -0.90 1.15 -1.25 -2.12 0.00 0.00 175.29 172.50 2rmx s PRO 52 N 3.19 3.60 0.21 2.91 0.04 -1.26 -1.98 135.00 141.71 2rmx s PRO 52 Ca 0.32 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 2rmx s PRO 52 Cb -0.13 -2.24 0.31 0.00 0.04 0.00 0.00 34.50 32.48 2rmx s PRO 52 CO 0.18 -0.67 1.69 0.87 0.04 0.00 0.00 177.00 179.11 2rmx h LYS 53 N 1.70 0.21 0.00 4.56 1.57 -1.79 -3.38 116.57 119.44 2rmx h LYS 53 Ca -0.50 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2rmx h LYS 53 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2rmx h LYS 53 CO 0.59 0.14 -0.67 0.00 -0.57 0.00 0.00 179.45 178.93 2rmx n ALA 54 N -2.66 3.00 -2.93 3.86 0.00 -1.26 -5.08 120.51 115.45 2rmx n ALA 54 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2rmx n ALA 54 Cb 0.34 0.40 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2rmx n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rmx n GLY 55 N 3.03 1.26 3.56 0.00 0.00 -1.26 -5.03 105.19 106.75 2rmx n GLY 55 Ca 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2rmx n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rmx s PRO 56 N 3.70 2.57 0.00 1.61 0.04 -1.26 -2.70 135.00 138.96 2rmx s PRO 56 Ca 0.00 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2rmx s PRO 56 Cb 0.00 -4.96 0.00 0.00 0.04 0.00 0.00 34.50 29.58 2rmx s PRO 56 CO 0.00 -3.27 0.00 0.41 0.04 0.00 0.00 177.00 174.18 2rmx n GLY 57 N 6.67 2.97 3.79 0.56 0.00 -1.26 -5.13 105.19 112.79 2rmx n GLY 57 Ca 0.37 -0.37 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2rmx n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rmx s SER 58 N 0.00 5.68 -0.14 1.61 1.04 -1.10 -4.96 113.70 115.83 2rmx s SER 58 Ca 0.00 1.97 -0.29 0.00 0.48 0.00 0.00 55.95 58.11 2rmx s SER 58 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 2rmx s SER 58 CO 0.00 -1.24 1.55 -2.16 0.98 0.00 0.00 173.24 172.38 2rmx s PRO 59 N -3.75 4.04 0.54 4.02 0.04 -1.26 -4.50 135.00 134.13 2rmx s PRO 59 Ca 0.67 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 63.42 2rmx s PRO 59 Cb -0.19 -3.96 -0.14 0.00 0.04 0.00 0.00 34.50 30.25 2rmx s PRO 59 CO 0.33 -0.99 -0.22 1.28 0.04 0.00 0.00 177.00 177.44 2rmx n LEU 60 N 7.53 -3.77 -4.78 -3.56 4.77 -1.26 -3.58 117.00 112.34 2rmx n LEU 60 Ca 0.17 0.54 -0.36 0.00 -0.03 0.00 0.00 56.01 56.33 2rmx n LEU 60 Cb 0.44 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2rmx n LEU 60 CO 0.62 -4.65 0.72 -0.60 -1.33 0.00 0.00 177.39 172.16 2rmx s ARG 61 N -1.09 4.20 -0.02 3.23 6.06 -0.84 -4.70 118.95 125.80 2rmx s ARG 61 Ca 0.50 1.48 0.03 0.00 -2.50 0.00 0.00 55.73 55.24 2rmx s ARG 61 Cb -0.41 -2.54 -0.03 0.00 0.06 0.00 0.00 34.95 32.02 2rmx s ARG 61 CO 0.64 -0.10 -0.07 0.08 -2.50 0.00 0.00 175.30 173.35 2rmx s VAL 62 N -1.68 3.66 -0.24 7.11 1.01 -1.26 -1.00 120.40 128.00 2rmx s VAL 62 Ca 0.57 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2rmx s VAL 62 Cb -0.21 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2rmx s VAL 62 CO 0.26 0.45 -0.12 -0.89 0.00 0.00 0.00 175.10 174.81 2rmx s THR 63 N -0.95 2.33 -0.43 3.92 2.01 0.47 -4.96 115.64 118.03 2rmx s THR 63 Ca 0.16 -1.33 -0.16 0.00 0.31 0.00 0.00 61.69 60.68 2rmx s THR 63 Cb -0.11 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.20 2rmx s THR 63 CO 0.06 0.16 0.35 -1.00 -0.69 0.00 0.00 174.62 173.49 2rmx s HIS 64 N 1.20 3.22 -0.35 4.92 3.76 -1.26 -2.28 115.29 124.51 2rmx s HIS 64 Ca -0.03 -0.62 -0.05 0.00 -0.15 0.00 0.00 55.06 54.21 2rmx s HIS 64 Cb -0.18 -2.78 0.05 0.00 1.11 0.00 0.00 32.58 30.79 2rmx s HIS 64 CO -0.07 -0.66 0.11 0.42 -0.85 0.00 0.00 174.74 173.69 2rmx s ILE 65 N 1.77 3.57 -0.34 0.60 1.01 0.40 -4.98 121.20 123.23 2rmx s ILE 65 Ca 0.06 -1.33 -0.28 0.00 0.00 0.00 0.00 60.65 59.10 2rmx s ILE 65 Cb -0.20 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2rmx s ILE 65 CO 0.10 -0.26 1.96 -0.54 0.00 0.00 0.00 174.94 176.21 2rmx s LYS 66 N 1.34 3.11 -0.38 2.79 1.02 -1.26 -0.36 119.74 125.99 2rmx s LYS 66 Ca -0.01 1.50 -0.29 0.00 0.02 0.00 0.00 55.97 57.19 2rmx s LYS 66 Cb -0.20 -4.29 0.02 0.00 -0.52 0.00 0.00 37.83 32.83 2rmx s LYS 66 CO 0.01 -2.13 1.13 0.08 -0.92 0.00 0.00 175.35 173.52 2rmx s VAL 67 N 7.92 4.34 0.45 3.17 1.01 0.68 -4.79 120.40 133.18 2rmx s VAL 67 Ca 0.85 1.48 -0.14 0.00 0.00 0.00 0.00 61.98 64.17 2rmx s VAL 67 Cb -0.24 -4.45 -0.07 0.00 0.00 0.00 0.00 36.38 31.62 2rmx s VAL 67 CO 0.32 -0.68 0.87 -0.04 0.00 0.00 0.00 175.10 175.56 2rmx s MET 68 N 4.04 3.88 -0.04 2.72 -1.94 -0.98 -2.57 119.30 124.41 2rmx s MET 68 Ca 0.48 0.71 0.05 0.00 -1.71 0.00 0.00 55.69 55.22 2rmx s MET 68 Cb -0.11 -2.28 -0.01 0.00 2.01 0.00 0.00 34.83 34.45 2rmx s MET 68 CO 0.23 -0.12 -0.20 0.00 -0.01 0.00 0.00 175.02 174.92 2rmx n GLU 70 N 2.93 0.99 -2.01 0.00 -0.58 0.42 -4.88 120.64 117.51 2rmx n GLU 70 Ca -0.17 -3.80 -0.03 0.00 -0.42 0.00 0.00 57.16 52.74 2rmx n GLU 70 Cb 0.53 -1.94 0.02 0.00 -0.57 0.00 0.00 31.44 29.47 2rmx n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rmx n GLY 71 N 2.35 0.40 2.99 0.62 0.00 -1.26 -3.83 105.19 106.46 2rmx n GLY 71 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2rmx n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rmx n GLY 72 N -1.33 1.61 3.82 -0.02 0.00 -1.26 -4.98 105.19 103.03 2rmx n GLY 72 Ca -0.03 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2rmx n GLY 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rmx s ARG 73 N 0.00 3.33 0.08 1.61 0.52 -1.25 -4.76 118.95 118.49 2rmx s ARG 73 Ca 0.00 1.02 0.10 0.00 -0.52 0.00 0.00 55.73 56.33 2rmx s ARG 73 Cb 0.00 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 2rmx s ARG 73 CO 0.00 -0.79 -0.25 0.71 0.02 0.00 0.00 175.30 174.99 2rmx s TYR 74 N -2.77 2.36 0.23 -0.53 2.02 -0.42 -0.43 117.35 117.81 2rmx s TYR 74 Ca 0.60 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 2rmx s TYR 74 Cb -0.14 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.04 2rmx s TYR 74 CO 0.44 0.24 0.15 -0.08 -1.57 0.00 0.00 175.55 174.73 2rmx s THR 75 N -0.94 0.07 -0.34 -0.71 -1.32 0.26 -0.60 115.64 112.06 2rmx s THR 75 Ca 0.13 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.61 2rmx s THR 75 Cb -0.10 -2.51 0.11 0.00 -1.51 0.00 0.00 72.50 68.49 2rmx s THR 75 CO 0.04 0.00 0.15 0.68 -2.21 0.00 0.00 174.62 173.28 2rmx s VAL 76 N -3.97 0.69 -0.04 5.08 -7.23 -1.26 -2.32 120.40 111.34 2rmx s VAL 76 Ca 0.39 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 2rmx s VAL 76 Cb 0.06 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.49 2rmx s VAL 76 CO 0.15 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.77 2rmx n GLY 77 N 4.55 -0.34 3.24 2.32 0.00 -1.26 -4.82 105.19 108.88 2rmx n GLY 77 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 2rmx n GLY 77 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rmx s GLY 78 N -1.71 1.63 0.21 -0.02 0.00 -1.26 -5.05 107.32 101.13 2rmx s GLY 78 Ca 0.00 -1.76 0.11 0.00 0.00 0.00 0.00 44.72 43.07 2rmx s GLY 78 CO 0.00 -1.38 1.41 1.41 0.00 0.00 0.00 173.10 174.54 2rmx h LEU 79 N 2.48 0.00 -9.96 0.66 4.07 -2.01 -3.46 115.31 107.08 2rmx h LEU 79 Ca -0.33 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.15 2rmx h LEU 79 Cb 1.25 0.00 0.22 0.00 1.08 0.00 0.00 40.66 43.20 2rmx h LEU 79 CO 0.48 0.73 -0.37 -0.62 -1.08 0.00 0.00 178.44 177.58 2rmx n GLU 80 N -3.36 -1.22 -4.04 1.13 1.02 -1.26 -5.05 120.64 107.85 2rmx n GLU 80 Ca 0.01 -0.32 -0.09 0.00 -0.02 0.00 0.00 57.16 56.73 2rmx n GLU 80 Cb 0.80 -2.02 -0.08 0.00 -0.02 0.00 0.00 31.44 30.11 2rmx n GLU 80 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2rmx s THR 81 N -2.42 0.09 -0.01 2.62 -4.23 -1.26 -4.56 115.64 105.87 2rmx s THR 81 Ca 0.62 -1.62 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 2rmx s THR 81 Cb -0.20 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.73 2rmx s THR 81 CO 0.64 -0.40 0.09 -0.36 -0.54 0.00 0.00 174.62 174.05 2rmx s PHE 82 N -4.00 0.01 0.22 3.99 0.40 0.23 -4.93 117.98 113.90 2rmx s PHE 82 Ca 0.20 -0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.40 2rmx s PHE 82 Cb 0.05 -0.04 0.31 0.00 0.51 0.00 0.00 43.02 43.86 2rmx s PHE 82 CO 0.00 -0.16 1.65 0.22 0.70 0.00 0.00 175.22 177.63 2rmx h ASP 83 N 5.11 -0.34 -2.21 1.36 3.58 -1.92 -1.11 116.42 120.91 2rmx h ASP 83 Ca -0.28 0.17 0.09 0.00 0.42 0.00 0.00 57.03 57.42 2rmx h ASP 83 Cb 1.20 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 2rmx h ASP 83 CO 0.42 -0.14 0.40 -1.20 -2.88 0.00 0.00 179.24 175.84 2rmx n SER 84 N -5.32 -1.45 -0.33 2.28 7.64 -1.26 -4.48 113.62 110.70 2rmx n SER 84 Ca 0.09 -1.83 0.29 0.00 1.01 0.00 0.00 58.87 58.43 2rmx n SER 84 Cb 0.37 2.38 0.62 0.00 -1.01 0.00 0.00 64.21 66.57 2rmx n SER 84 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2rmx h LEU 85 N 0.00 0.25 0.68 -3.43 -0.00 -1.95 0.11 115.31 110.97 2rmx h LEU 85 Ca -0.22 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 57.68 2rmx h LEU 85 Cb 0.94 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.62 2rmx h LEU 85 CO 0.29 0.03 -0.33 0.74 -0.00 0.00 0.00 178.44 179.18 2rmx h THR 86 N 0.21 0.14 -0.73 0.22 2.02 -1.98 0.24 112.91 113.03 2rmx h THR 86 Ca 0.60 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 67.52 2rmx h THR 86 Cb 1.90 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 2rmx h THR 86 CO -0.19 0.02 0.47 -0.78 0.37 0.00 0.00 175.52 175.41 2rmx h ASP 87 N -1.16 0.78 0.59 4.18 3.58 -1.61 0.87 116.42 123.64 2rmx h ASP 87 Ca -0.09 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 2rmx h ASP 87 Cb 0.73 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.61 2rmx h ASP 87 CO 0.15 0.55 -0.28 0.25 -2.88 0.00 0.00 179.24 177.03 2rmx h LEU 88 N 0.92 -0.67 0.20 2.28 6.46 -0.85 -1.81 115.31 121.84 2rmx h LEU 88 Ca 0.29 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 58.08 2rmx h LEU 88 Cb -0.02 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.05 2rmx h LEU 88 CO -0.10 -0.40 -0.49 0.58 -0.62 0.00 0.00 178.44 177.41 2rmx h VAL 89 N -0.95 0.00 -0.55 1.05 2.07 -0.49 -1.78 116.25 115.60 2rmx h VAL 89 Ca -0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2rmx h VAL 89 Cb 0.60 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.28 2rmx h VAL 89 CO 0.13 0.00 -0.56 -0.33 0.02 0.00 0.00 177.57 176.83 2rmx h GLU 90 N -0.76 -0.29 -0.36 1.57 5.08 -0.93 1.14 114.58 120.03 2rmx h GLU 90 Ca -0.02 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2rmx h GLU 90 Cb 0.74 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 2rmx h GLU 90 CO -0.22 -0.19 0.53 1.25 -1.00 0.00 0.00 179.01 179.38 2rmx h HIS 91 N -0.30 0.00 0.00 4.33 2.76 -1.10 0.54 115.15 121.38 2rmx h HIS 91 Ca 0.09 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 58.06 2rmx h HIS 91 Cb 0.55 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 2rmx h HIS 91 CO -0.80 0.00 -1.75 1.19 -1.30 0.00 0.00 177.93 175.27 2rmx n PHE 92 N -3.40 0.62 0.30 5.26 3.72 0.31 -2.86 117.46 121.41 2rmx n PHE 92 Ca 0.06 0.21 0.17 0.00 -0.05 0.00 0.00 57.45 57.84 2rmx n PHE 92 Cb 0.68 -0.99 0.80 0.00 -0.94 0.00 0.00 39.48 39.03 2rmx n PHE 92 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2rmx h LYS 93 N 0.00 0.00 0.00 -1.08 1.57 0.62 0.46 116.57 118.14 2rmx h LYS 93 Ca -0.24 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.29 2rmx h LYS 93 Cb 1.69 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.95 2rmx h LYS 93 CO 0.04 0.00 -1.96 0.36 -0.57 0.00 0.00 179.45 177.32 2rmx n LYS 94 N -2.81 0.55 -0.07 3.15 2.85 -1.05 -4.62 118.16 116.17 2rmx n LYS 94 Ca -0.00 0.09 -0.07 0.00 -1.05 0.00 0.00 58.31 57.27 2rmx n LYS 94 Cb 0.18 -1.34 -0.05 0.00 -0.65 0.00 0.00 35.03 33.17 2rmx n LYS 94 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 2rmx h THR 95 N 0.00 0.56 0.00 0.58 1.35 -1.44 -3.51 112.91 110.45 2rmx h THR 95 Ca -0.38 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 2rmx h THR 95 Cb 1.61 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 2rmx h THR 95 CO -0.05 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 2rmx n GLY 96 N 1.66 2.82 3.36 5.82 0.00 0.16 -5.05 105.19 113.97 2rmx n GLY 96 Ca -0.08 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.72 2rmx n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rmx s ILE 97 N -2.76 2.60 0.08 -0.61 1.01 -0.96 -4.92 121.20 115.64 2rmx s ILE 97 Ca 0.00 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.83 2rmx s ILE 97 Cb 0.00 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2rmx s ILE 97 CO 0.00 0.57 -0.01 -0.70 0.00 0.00 0.00 174.94 174.80 2rmx s GLU 98 N -0.26 2.55 0.07 2.79 2.12 -1.26 0.18 118.70 124.89 2rmx s GLU 98 Ca 0.00 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.55 2rmx s GLU 98 Cb -0.13 -2.54 -0.04 0.00 0.26 0.00 0.00 34.13 31.68 2rmx s GLU 98 CO 0.03 0.55 0.02 -1.21 -0.54 0.00 0.00 175.26 174.11 2rmx s GLU 99 N -2.22 2.69 0.21 4.30 2.02 0.13 -4.95 118.70 120.88 2rmx s GLU 99 Ca 0.25 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.36 2rmx s GLU 99 Cb -0.12 -2.62 0.23 0.00 0.10 0.00 0.00 34.13 31.72 2rmx s GLU 99 CO 0.17 0.57 1.64 0.00 0.02 0.00 0.00 175.26 177.66 2rmx h ALA 100 N 3.61 0.44 -0.55 5.21 0.00 -2.00 -0.49 119.26 125.48 2rmx h ALA 100 Ca -0.48 0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.75 2rmx h ALA 100 Cb 1.17 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 2rmx h ALA 100 CO 0.61 -0.42 0.10 1.03 0.00 0.00 0.00 179.25 180.57 2rmx h SER 101 N 0.02 -0.02 0.00 0.00 0.87 -2.06 -3.45 113.55 108.91 2rmx h SER 101 Ca 0.29 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 2rmx h SER 101 Cb 0.46 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2rmx h SER 101 CO -0.59 0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.33 2rmx n GLY 102 N -1.30 0.22 3.86 5.77 0.00 -0.19 -5.16 105.19 108.38 2rmx n GLY 102 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2rmx n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rmx s ALA 103 N -0.23 3.70 -0.26 4.61 0.00 -1.23 -4.88 121.76 123.46 2rmx s ALA 103 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 50.70 2rmx s ALA 103 Cb 0.00 -1.47 0.08 0.00 0.00 0.00 0.00 23.12 21.73 2rmx s ALA 103 CO 0.00 0.37 0.01 -0.06 0.00 0.00 0.00 175.76 176.08 2rmx s PHE 104 N -1.93 2.30 0.04 0.00 0.08 -1.26 0.18 117.98 117.39 2rmx s PHE 104 Ca 0.33 -1.85 -0.27 0.00 0.12 0.00 0.00 56.93 55.25 2rmx s PHE 104 Cb -0.09 -1.76 -0.05 0.00 -0.57 0.00 0.00 43.02 40.55 2rmx s PHE 104 CO 0.26 -0.81 0.86 0.08 -0.10 0.00 0.00 175.22 175.51 2rmx s VAL 105 N 1.42 4.74 -0.05 -0.44 1.01 0.13 -4.93 120.40 122.27 2rmx s VAL 105 Ca 0.01 1.83 0.06 0.00 0.00 0.00 0.00 61.98 63.88 2rmx s VAL 105 Cb -0.18 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2rmx s VAL 105 CO -0.11 0.29 -0.25 -0.31 0.00 0.00 0.00 175.10 174.72 2rmx s TYR 106 N 0.32 2.44 -0.47 5.22 2.02 -1.26 -2.27 117.35 123.34 2rmx s TYR 106 Ca 0.44 -0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 2rmx s TYR 106 Cb -0.21 -1.59 0.12 0.00 -0.40 0.00 0.00 41.96 39.88 2rmx s TYR 106 CO 0.25 -0.19 0.27 -0.51 -1.57 0.00 0.00 175.55 173.80 2rmx s LEU 107 N -0.22 5.19 -0.19 -1.29 1.02 -1.26 -4.15 118.68 117.77 2rmx s LEU 107 Ca -0.02 -2.30 -0.12 0.00 0.02 0.00 0.00 54.13 51.71 2rmx s LEU 107 Cb -0.13 -1.82 -0.20 0.00 0.02 0.00 0.00 46.19 44.05 2rmx s LEU 107 CO 0.03 -0.48 0.13 0.54 0.02 0.00 0.00 176.35 176.59 2rmx n ARG 108 N 4.21 0.65 -3.81 1.70 1.74 -0.95 -4.65 116.66 115.55 2rmx n ARG 108 Ca 0.01 0.37 -0.12 0.00 -0.77 0.00 0.00 57.85 57.33 2rmx n ARG 108 Cb 0.40 -1.67 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 2rmx n ARG 108 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2rmx s GLN 109 N -2.47 0.37 0.00 5.56 0.00 -1.16 -5.09 119.66 116.87 2rmx s GLN 109 Ca -0.29 0.07 0.00 0.00 -0.00 0.00 0.00 55.36 55.14 2rmx s GLN 109 Cb 0.08 0.17 0.00 0.00 0.00 0.00 0.00 33.01 33.26 2rmx s GLN 109 CO 0.64 -0.07 0.00 -0.35 0.00 0.00 0.00 175.29 175.51 2rmx n PRO 110 N 2.35 -0.03 -3.72 9.60 -0.04 -1.26 -2.76 135.00 139.15 2rmx n PRO 110 Ca -0.16 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.04 2rmx n PRO 110 Cb 0.57 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.86 2rmx n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2rmx s TYR 111 N -0.51 0.76 0.18 0.54 5.04 -0.76 -4.57 117.35 118.03 2rmx s TYR 111 Ca 0.00 -0.54 0.00 0.00 -2.44 0.00 0.00 57.07 54.09 2rmx s TYR 111 Cb 0.00 -0.89 -0.04 0.00 0.35 0.00 0.00 41.96 41.38 2rmx s TYR 111 CO 0.00 -0.50 0.35 0.71 -1.34 0.00 0.00 175.55 174.77 2rmx s TYR 112 N 1.95 3.49 -0.74 4.97 2.02 -1.26 -4.89 117.35 122.87 2rmx s TYR 112 Ca 0.01 0.28 -0.17 0.00 -0.37 0.00 0.00 57.07 56.82 2rmx s TYR 112 Cb -0.15 -1.80 0.16 0.00 -0.40 0.00 0.00 41.96 39.77 2rmx s TYR 112 CO -0.07 0.43 0.79 0.45 -1.57 0.00 0.00 175.55 175.58 2rmx s SER 113 N -3.13 6.50 0.19 2.29 0.15 -1.26 -5.03 113.70 113.42 2rmx s SER 113 Ca 0.37 -2.08 0.11 0.00 0.70 0.00 0.00 55.95 55.05 2rmx s SER 113 Cb -0.11 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2rmx s SER 113 CO 0.29 -0.87 -0.23 -0.83 1.20 0.00 0.00 173.24 172.80 2rmx s GLY 114 N 3.07 1.71 0.00 9.45 0.00 -1.26 -5.01 107.32 115.28 2rmx s GLY 114 Ca 0.17 -1.64 0.14 0.00 0.00 0.00 0.00 44.72 43.40 2rmx s GLY 114 CO -0.03 -1.67 1.44 -1.55 0.00 0.00 0.00 173.10 171.29 2rmx n PRO 115 N 0.24 0.07 -4.40 2.90 -0.04 -1.26 -4.70 135.00 127.81 2rmx n PRO 115 Ca -0.12 0.22 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 2rmx n PRO 115 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 2rmx n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2rmx s SER 116 N -2.86 2.50 -0.03 3.54 0.15 -1.26 -5.14 113.70 110.59 2rmx s SER 116 Ca 0.09 -0.63 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 2rmx s SER 116 Cb 0.10 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.28 2rmx s SER 116 CO 0.25 0.09 0.06 -0.44 1.20 0.00 0.00 173.24 174.40 2rmx s SER 117 N -1.66 0.10 0.00 5.45 0.01 -1.26 -5.10 113.70 111.24 2rmx s SER 117 Ca 0.07 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.44 2rmx s SER 117 Cb -0.10 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2rmx s SER 117 CO 0.03 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.15