#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 5.80 -0.22 1.61 1.04 -1.26 -5.09 113.70 115.57 2rmx s SER 2 Ca 0.00 0.85 -0.04 0.00 0.48 0.00 0.00 55.95 57.24 2rmx s SER 2 Cb 0.00 -1.91 0.12 0.00 0.10 0.00 0.00 66.02 64.33 2rmx s SER 2 CO 0.00 -0.95 0.37 -0.44 0.98 0.00 0.00 173.24 173.20 2rmx s SER 3 N -4.25 0.22 0.00 7.02 0.01 -1.26 -5.16 113.70 110.28 2rmx s SER 3 Ca 0.53 0.37 0.00 0.00 1.31 0.00 0.00 55.95 58.16 2rmx s SER 3 Cb -0.11 1.09 0.00 0.00 0.21 0.00 0.00 66.02 67.22 2rmx s SER 3 CO 0.46 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2rmx n GLY 4 N 5.37 1.74 3.57 3.44 0.00 -1.26 -4.97 105.19 113.08 2rmx n GLY 4 Ca -0.05 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 2rmx n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rmx s SER 5 N -1.00 4.99 -0.20 1.61 0.01 -1.26 -4.87 113.70 112.97 2rmx s SER 5 Ca 0.00 1.33 -0.29 0.00 1.31 0.00 0.00 55.95 58.30 2rmx s SER 5 Cb 0.00 -2.51 0.14 0.00 0.21 0.00 0.00 66.02 63.86 2rmx s SER 5 CO 0.00 -2.42 1.08 -0.94 0.41 0.00 0.00 173.24 171.38 2rmx s SER 6 N 9.96 -0.30 0.00 2.44 1.04 -1.26 -5.09 113.70 120.49 2rmx s SER 6 Ca 0.95 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.74 2rmx s SER 6 Cb -0.23 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2rmx s SER 6 CO 0.29 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.87 2rmx n GLY 7 N 0.84 -2.36 0.53 7.32 0.00 -1.26 -4.98 105.19 105.28 2rmx n GLY 7 Ca -0.08 0.78 0.06 0.00 0.00 0.00 0.00 46.02 46.78 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 -0.55 0.04 -3.84 1.61 -0.00 -1.26 -4.84 117.44 108.59 2rmx n TRP 8 Ca 0.00 -1.42 -0.36 0.00 -0.00 0.00 0.00 57.50 55.72 2rmx n TRP 8 Cb 0.00 -0.24 -0.12 0.00 -0.00 0.00 0.00 31.31 30.95 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 -3.18 3.14 -0.00 -2.67 5.04 -1.26 -0.75 117.35 117.66 2rmx s TYR 9 Ca 0.37 -0.21 -0.00 0.00 -2.44 0.00 0.00 57.07 54.79 2rmx s TYR 9 Cb 0.36 -2.20 -0.00 0.00 0.35 0.00 0.00 41.96 40.47 2rmx s TYR 9 CO -0.05 -0.17 -0.01 0.72 -1.34 0.00 0.00 175.55 174.70 2rmx n HIS 10 N 4.48 0.00 0.00 4.97 8.25 -0.98 -5.02 115.22 126.92 2rmx n HIS 10 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2rmx n HIS 10 Cb 0.52 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 1.55 0.33 3.46 -1.41 0.00 -1.26 -4.96 105.19 102.90 2rmx n GLY 11 Ca -0.00 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 2rmx n GLY 11 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2rmx n HIS 12 N 0.00 0.69 -3.90 1.61 1.44 -1.26 -4.05 115.22 109.75 2rmx n HIS 12 Ca 0.00 -0.06 -0.11 0.00 -2.01 0.00 0.00 57.72 55.54 2rmx n HIS 12 Cb 0.00 -1.92 -0.13 0.00 0.12 0.00 0.00 29.99 28.07 2rmx n HIS 12 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2rmx s MET 13 N 7.84 0.13 0.25 -1.40 0.00 -1.26 -5.12 119.30 119.73 2rmx s MET 13 Ca 0.80 -0.18 0.08 0.00 0.00 0.00 0.00 55.69 56.39 2rmx s MET 13 Cb -0.20 0.05 -0.04 0.00 0.00 0.00 0.00 34.83 34.64 2rmx s MET 13 CO 0.18 -0.02 0.07 -1.12 0.00 0.00 0.00 175.02 174.14 2rmx s SER 14 N -0.50 4.96 0.00 1.11 0.01 -1.26 -4.76 113.70 113.25 2rmx s SER 14 Ca -0.06 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.75 2rmx s SER 14 Cb -0.04 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 65.11 2rmx s SER 14 CO -0.00 -0.00 0.80 0.61 0.41 0.00 0.00 173.24 175.06 2rmx n GLY 15 N -0.90 -3.08 0.56 3.44 0.00 -1.26 -1.30 105.19 102.65 2rmx n GLY 15 Ca -0.07 0.41 0.45 0.00 0.00 0.00 0.00 46.02 46.80 2rmx n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rmx n GLY 16 N -0.92 -0.89 0.18 -0.02 0.00 -1.26 -0.94 105.19 101.33 2rmx n GLY 16 Ca 0.00 0.73 -0.07 0.00 0.00 0.00 0.00 46.02 46.68 2rmx n GLY 16 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2rmx h GLN 17 N 0.00 -0.41 -0.75 1.61 4.15 -1.60 -3.02 115.11 115.08 2rmx h GLN 17 Ca 0.90 0.03 0.15 0.00 0.77 0.00 0.00 58.65 60.50 2rmx h GLN 17 Cb 3.18 0.09 -0.14 0.00 0.21 0.00 0.00 27.48 30.82 2rmx h GLN 17 CO -0.28 -0.28 -0.18 0.00 -1.93 0.00 0.00 178.83 176.16 2rmx n ALA 18 N -2.33 0.19 -0.11 3.38 0.00 -0.12 0.15 120.51 121.66 2rmx n ALA 18 Ca -0.05 0.83 -0.05 0.00 0.00 0.00 0.00 53.44 54.16 2rmx n ALA 18 Cb 0.17 -0.50 0.02 0.00 0.00 0.00 0.00 19.45 19.14 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 0.13 0.08 0.00 5.08 -1.55 0.31 114.58 118.62 2rmx h GLU 19 Ca 0.36 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2rmx h GLU 19 Cb 0.56 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2rmx h GLU 19 CO -0.77 0.08 -0.16 1.15 -1.00 0.00 0.00 179.01 178.30 2rmx h THR 20 N 0.13 0.62 0.58 1.13 2.02 0.15 0.30 112.91 117.84 2rmx h THR 20 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 2rmx h THR 20 Cb 0.24 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2rmx h THR 20 CO -0.28 0.00 -0.46 -0.07 0.37 0.00 0.00 175.52 175.08 2rmx h LEU 21 N -0.31 -1.20 0.37 2.58 4.07 -0.91 0.29 115.31 120.19 2rmx h LEU 21 Ca 0.03 0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 2rmx h LEU 21 Cb 0.34 0.38 -0.02 0.00 1.08 0.00 0.00 40.66 42.44 2rmx h LEU 21 CO -0.10 -0.65 -0.44 -0.07 -1.08 0.00 0.00 178.44 176.10 2rmx h LEU 22 N -1.01 -1.23 -0.48 1.67 3.38 -0.87 -1.13 115.31 115.65 2rmx h LEU 22 Ca -0.07 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.10 2rmx h LEU 22 Cb 0.85 0.41 -0.10 0.00 0.09 0.00 0.00 40.66 41.91 2rmx h LEU 22 CO 0.01 -0.55 -0.20 1.56 0.09 0.00 0.00 178.44 179.34 2rmx h GLN 23 N -0.82 -0.09 -0.96 1.13 4.20 -0.40 0.11 115.11 118.28 2rmx h GLN 23 Ca -0.05 0.01 0.18 0.00 0.06 0.00 0.00 58.65 58.85 2rmx h GLN 23 Cb 0.73 0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.45 2rmx h GLN 23 CO -0.09 -0.06 0.61 0.00 -0.67 0.00 0.00 178.83 178.61 2rmx h ALA 24 N 1.25 1.87 -0.75 3.87 0.00 -0.14 -0.12 119.26 125.23 2rmx h ALA 24 Ca 0.23 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.22 2rmx h ALA 24 Cb 0.45 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2rmx h ALA 24 CO -0.55 -0.18 0.46 -0.22 0.00 0.00 0.00 179.25 178.76 2rmx h LYS 25 N 0.65 0.85 0.00 0.00 1.63 0.53 -3.46 116.57 116.77 2rmx h LYS 25 Ca 0.52 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 2rmx h LYS 25 Cb 0.94 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 2rmx h LYS 25 CO -0.28 0.56 0.00 0.41 -3.45 0.00 0.00 179.45 176.70 2rmx n GLY 26 N -1.30 0.42 3.61 5.01 0.00 -0.06 -4.98 105.19 107.89 2rmx n GLY 26 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.61 4.03 0.37 1.61 0.41 -1.26 -5.01 118.70 118.23 2rmx s GLU 27 Ca 0.00 0.06 -0.27 0.00 -0.41 0.00 0.00 54.97 54.35 2rmx s GLU 27 Cb 0.00 -3.64 -0.09 0.00 -1.78 0.00 0.00 34.13 28.62 2rmx s GLU 27 CO 0.00 -0.26 1.20 -1.25 -0.49 0.00 0.00 175.26 174.47 2rmx s PRO 28 N 2.01 4.20 -0.74 0.39 0.04 -1.26 -3.29 135.00 136.34 2rmx s PRO 28 Ca 0.15 1.95 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 2rmx s PRO 28 Cb -0.16 -2.85 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2rmx s PRO 28 CO 0.10 -0.23 0.10 0.91 0.04 0.00 0.00 177.00 177.92 2rmx n TRP 29 N 0.41 -0.60 -3.06 0.56 5.03 0.11 -4.83 117.44 115.06 2rmx n TRP 29 Ca 0.02 0.09 -0.44 0.00 3.03 0.00 0.00 57.50 60.20 2rmx n TRP 29 Cb 0.45 -2.39 -0.05 0.00 -1.03 0.00 0.00 31.31 28.29 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 -2.59 4.71 0.34 -0.99 2.01 -1.21 -2.31 115.64 115.60 2rmx s THR 30 Ca 0.05 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.32 2rmx s THR 30 Cb -0.02 -4.51 -0.03 0.00 0.01 0.00 0.00 72.50 67.95 2rmx s THR 30 CO 0.06 -1.15 0.54 0.72 -0.69 0.00 0.00 174.62 174.10 2rmx s PHE 31 N 3.01 3.46 -0.24 4.92 -0.71 -1.06 -1.62 117.98 125.73 2rmx s PHE 31 Ca 0.15 0.28 -0.26 0.00 -1.04 0.00 0.00 56.93 56.05 2rmx s PHE 31 Cb -0.22 -1.90 0.12 0.00 -1.21 0.00 0.00 43.02 39.81 2rmx s PHE 31 CO 0.08 0.11 0.98 -0.48 -1.34 0.00 0.00 175.22 174.57 2rmx s LEU 32 N -4.30 -0.47 -0.10 -1.99 0.05 -0.60 -1.86 118.68 109.42 2rmx s LEU 32 Ca 0.40 0.81 -0.12 0.00 0.05 0.00 0.00 54.13 55.27 2rmx s LEU 32 Cb -0.10 1.96 -0.05 0.00 -2.05 0.00 0.00 46.19 45.96 2rmx s LEU 32 CO 0.35 -0.22 0.29 -0.69 -0.55 0.00 0.00 176.35 175.53 2rmx s VAL 33 N -0.11 5.27 -0.18 1.48 1.01 0.07 -2.53 120.40 125.41 2rmx s VAL 33 Ca 0.01 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.50 2rmx s VAL 33 Cb -0.04 -3.59 0.08 0.00 0.00 0.00 0.00 36.38 32.83 2rmx s VAL 33 CO -0.03 0.51 0.20 0.00 0.00 0.00 0.00 175.10 175.78 2rmx s ARG 34 N -0.42 0.16 -0.21 2.72 1.70 -1.19 -2.31 118.95 119.38 2rmx s ARG 34 Ca 0.18 0.23 -0.40 0.00 -0.47 0.00 0.00 55.73 55.27 2rmx s ARG 34 Cb -0.14 -1.14 -0.16 0.00 -0.57 0.00 0.00 34.95 32.94 2rmx s ARG 34 CO 0.07 -0.61 1.66 -1.91 -1.08 0.00 0.00 175.30 173.43 2rmx n GLU 35 N 5.32 1.10 -1.55 3.89 2.13 -1.26 -3.73 120.64 126.54 2rmx n GLU 35 Ca -0.06 0.40 -0.36 0.00 0.66 0.00 0.00 57.16 57.80 2rmx n GLU 35 Cb 0.49 -2.07 0.08 0.00 0.27 0.00 0.00 31.44 30.21 2rmx n GLU 35 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2rmx n SER 36 N 4.76 1.35 -0.09 4.31 2.88 -1.25 -4.67 113.62 120.90 2rmx n SER 36 Ca 0.25 0.76 -0.23 0.00 -1.33 0.00 0.00 58.87 58.32 2rmx n SER 36 Cb 0.13 -1.49 -0.12 0.00 -0.75 0.00 0.00 64.21 61.99 2rmx n SER 36 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2rmx n LEU 37 N -1.83 2.15 0.19 2.46 4.77 -1.26 -4.53 117.00 118.95 2rmx n LEU 37 Ca 0.15 0.31 -0.10 0.00 -0.03 0.00 0.00 56.01 56.34 2rmx n LEU 37 Cb 0.49 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 40.55 2rmx n LEU 37 CO 0.48 0.52 0.52 -1.28 -1.33 0.00 0.00 177.39 176.30 2rmx h SER 38 N -0.67 -0.67 -3.26 -1.43 0.87 -1.98 -3.38 113.55 103.04 2rmx h SER 38 Ca -0.45 0.04 -0.69 0.00 -1.23 0.00 0.00 61.79 59.46 2rmx h SER 38 Cb 1.58 0.20 -0.18 0.00 -0.44 0.00 0.00 62.40 63.57 2rmx h SER 38 CO -0.17 -0.37 0.03 -1.10 -0.53 0.00 0.00 176.83 174.68 2rmx s GLN 39 N -4.47 3.12 0.00 2.24 1.11 -1.26 -4.91 119.66 115.49 2rmx s GLN 39 Ca -0.09 -0.92 0.10 0.00 0.01 0.00 0.00 55.36 54.46 2rmx s GLN 39 Cb 0.02 -4.10 0.61 0.00 -1.01 0.00 0.00 33.01 28.53 2rmx s GLN 39 CO 0.30 -1.21 1.05 -0.35 0.01 0.00 0.00 175.29 175.10 2rmx n PRO 40 N 6.11 0.49 -0.00 2.91 -0.04 -1.26 -2.32 135.00 140.89 2rmx n PRO 40 Ca -0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.42 2rmx n PRO 40 Cb 0.45 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2rmx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rmx n GLY 41 N -0.02 -0.24 3.99 0.55 0.00 -1.26 -5.04 105.19 103.16 2rmx n GLY 41 Ca 0.08 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 2rmx n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2rmx s ASP 42 N -2.62 5.21 0.35 1.61 1.11 -0.98 -4.84 116.67 116.51 2rmx s ASP 42 Ca -0.02 -0.75 0.03 0.00 0.18 0.00 0.00 52.55 51.99 2rmx s ASP 42 Cb 0.04 -0.11 -0.01 0.00 1.07 0.00 0.00 42.92 43.90 2rmx s ASP 42 CO 0.23 -1.03 0.12 0.49 1.18 0.00 0.00 175.17 176.16 2rmx n PHE 43 N -1.96 0.16 -3.79 4.23 3.01 -0.89 -3.82 117.46 114.40 2rmx n PHE 43 Ca 0.09 -2.21 -0.13 0.00 1.01 0.00 0.00 57.45 56.22 2rmx n PHE 43 Cb 0.61 -0.02 -0.09 0.00 -0.01 0.00 0.00 39.48 39.97 2rmx n PHE 43 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2rmx s VAL 44 N -2.83 0.06 -0.16 -4.37 1.01 -1.24 -0.08 120.40 112.78 2rmx s VAL 44 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2rmx s VAL 44 Cb 0.01 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.87 2rmx s VAL 44 CO 0.12 -0.27 -0.09 -0.22 0.00 0.00 0.00 175.10 174.64 2rmx s LEU 45 N -1.22 1.72 0.05 3.92 2.96 0.33 -3.18 118.68 123.25 2rmx s LEU 45 Ca -0.13 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.19 2rmx s LEU 45 Cb -0.06 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 2rmx s LEU 45 CO 0.03 -0.14 0.04 -0.44 -1.32 0.00 0.00 176.35 174.53 2rmx s SER 46 N 1.56 5.34 -0.12 3.68 0.01 -1.05 -1.61 113.70 121.50 2rmx s SER 46 Ca 0.02 -0.03 -0.09 0.00 1.31 0.00 0.00 55.95 57.17 2rmx s SER 46 Cb -0.15 -1.40 0.04 0.00 0.21 0.00 0.00 66.02 64.72 2rmx s SER 46 CO -0.09 0.21 0.31 -0.69 0.41 0.00 0.00 173.24 173.39 2rmx s VAL 47 N -1.28 -0.02 -0.72 3.43 1.01 -0.93 -1.55 120.40 120.34 2rmx s VAL 47 Ca 0.25 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 2rmx s VAL 47 Cb -0.12 -0.45 0.09 0.00 0.00 0.00 0.00 36.38 35.91 2rmx s VAL 47 CO 0.17 0.03 0.95 -0.22 0.00 0.00 0.00 175.10 176.03 2rmx s LEU 48 N 0.78 4.79 0.86 3.92 2.96 -0.64 -0.42 118.68 130.94 2rmx s LEU 48 Ca -0.05 -1.38 -0.12 0.00 -0.22 0.00 0.00 54.13 52.36 2rmx s LEU 48 Cb -0.06 -2.39 0.11 0.00 0.50 0.00 0.00 46.19 44.35 2rmx s LEU 48 CO -0.05 -1.27 1.12 -1.54 -1.32 0.00 0.00 176.35 173.29 2rmx n SER 49 N 7.08 0.52 -0.04 3.68 3.41 -0.07 0.06 113.62 128.26 2rmx n SER 49 Ca 0.02 0.50 0.14 0.00 -0.26 0.00 0.00 58.87 59.28 2rmx n SER 49 Cb 0.46 -1.47 0.83 0.00 -0.26 0.00 0.00 64.21 63.76 2rmx n SER 49 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2rmx n ASP 50 N -3.52 0.12 -4.54 4.04 2.03 -1.26 -4.03 116.55 109.38 2rmx n ASP 50 Ca 0.12 -1.13 -0.43 0.00 0.52 0.00 0.00 54.79 53.88 2rmx n ASP 50 Cb 0.51 -0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.85 2rmx n ASP 50 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2rmx s GLN 51 N -2.00 3.44 0.57 -0.67 -0.21 -1.26 -4.98 119.66 114.56 2rmx s GLN 51 Ca 0.43 -0.15 -0.18 0.00 0.02 0.00 0.00 55.36 55.48 2rmx s GLN 51 Cb 0.20 -3.90 -0.05 0.00 1.00 0.00 0.00 33.01 30.26 2rmx s GLN 51 CO 0.33 -0.96 1.12 -1.25 -2.12 0.00 0.00 175.29 172.42 2rmx s PRO 52 N 2.94 3.24 0.05 2.91 0.04 -1.26 -1.76 135.00 141.15 2rmx s PRO 52 Ca 0.26 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.55 2rmx s PRO 52 Cb -0.14 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.23 2rmx s PRO 52 CO 0.19 -0.93 1.47 0.87 0.04 0.00 0.00 177.00 178.63 2rmx h LYS 53 N 0.93 -0.72 -2.82 4.56 1.57 -1.80 -3.40 116.57 114.89 2rmx h LYS 53 Ca -0.49 0.05 -0.59 0.00 -1.87 0.00 0.00 60.65 57.74 2rmx h LYS 53 Cb 1.26 0.16 -0.40 0.00 0.08 0.00 0.00 32.23 33.34 2rmx h LYS 53 CO 0.56 -0.43 -0.79 0.00 -0.57 0.00 0.00 179.45 178.22 2rmx s ALA 54 N -5.61 1.53 0.00 3.86 0.00 -1.26 -5.09 121.76 115.19 2rmx s ALA 54 Ca -0.16 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.61 2rmx s ALA 54 Cb 0.03 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.41 2rmx s ALA 54 CO 0.58 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.68 2rmx n GLY 55 N 3.86 -0.02 3.73 0.00 0.00 -1.26 -4.14 105.19 107.35 2rmx n GLY 55 Ca 0.09 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 4.38 0.00 1.61 0.04 -1.26 -3.53 135.00 136.24 2rmx s PRO 56 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2rmx s PRO 56 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 2rmx s PRO 56 CO 0.00 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2rmx n GLY 57 N 2.54 3.17 3.74 0.56 0.00 -1.26 -5.08 105.19 108.86 2rmx n GLY 57 Ca 0.07 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 4.64 -0.07 1.61 1.04 -1.23 -4.93 113.70 114.75 2rmx s SER 58 Ca 0.00 2.28 -0.30 0.00 0.48 0.00 0.00 55.95 58.42 2rmx s SER 58 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2rmx s SER 58 CO 0.00 -1.96 1.51 -2.16 0.98 0.00 0.00 173.24 171.61 2rmx s PRO 59 N -3.81 4.21 0.46 4.02 0.04 -1.26 -4.53 135.00 134.12 2rmx s PRO 59 Ca 0.73 2.01 -0.20 0.00 0.04 0.00 0.00 61.00 63.59 2rmx s PRO 59 Cb -0.27 -3.86 -0.14 0.00 0.04 0.00 0.00 34.50 30.27 2rmx s PRO 59 CO 0.41 -0.77 0.11 1.28 0.04 0.00 0.00 177.00 178.07 2rmx n LEU 60 N 6.70 -2.48 -4.78 -3.56 4.77 -1.26 -3.76 117.00 112.63 2rmx n LEU 60 Ca 0.16 0.76 -0.35 0.00 -0.03 0.00 0.00 56.01 56.55 2rmx n LEU 60 Cb 0.43 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 2rmx n LEU 60 CO 0.60 -4.15 0.77 -0.60 -1.33 0.00 0.00 177.39 172.68 2rmx s ARG 61 N -1.17 3.37 -0.15 3.23 6.06 -0.72 -4.73 118.95 124.84 2rmx s ARG 61 Ca 0.60 1.58 0.00 0.00 -2.50 0.00 0.00 55.73 55.40 2rmx s ARG 61 Cb -0.56 -2.01 -0.01 0.00 0.06 0.00 0.00 34.95 32.43 2rmx s ARG 61 CO 0.63 -0.83 -0.14 0.08 -2.50 0.00 0.00 175.30 172.54 2rmx s VAL 62 N -1.82 2.80 -0.45 7.11 1.01 -1.26 -0.89 120.40 126.89 2rmx s VAL 62 Ca 0.72 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 2rmx s VAL 62 Cb -0.23 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.03 2rmx s VAL 62 CO 0.27 0.51 0.35 -0.89 0.00 0.00 0.00 175.10 175.35 2rmx s THR 63 N 0.70 5.12 -0.37 3.92 2.01 0.44 -4.93 115.64 122.53 2rmx s THR 63 Ca -0.07 -1.00 -0.17 0.00 0.31 0.00 0.00 61.69 60.77 2rmx s THR 63 Cb -0.15 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.35 2rmx s THR 63 CO 0.02 -0.50 0.45 -1.00 -0.69 0.00 0.00 174.62 172.90 2rmx s HIS 64 N 1.63 3.18 -0.15 4.92 3.76 -1.26 -2.20 115.29 125.17 2rmx s HIS 64 Ca 0.04 -0.06 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 2rmx s HIS 64 Cb -0.23 -2.86 0.01 0.00 1.11 0.00 0.00 32.58 30.61 2rmx s HIS 64 CO 0.07 -0.57 -0.20 0.42 -0.85 0.00 0.00 174.74 173.61 2rmx s ILE 65 N 2.23 2.28 0.13 0.60 1.01 -0.63 -5.00 121.20 121.81 2rmx s ILE 65 Ca 0.15 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 2rmx s ILE 65 Cb -0.16 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 2rmx s ILE 65 CO 0.13 0.54 1.19 -0.54 0.00 0.00 0.00 174.94 176.26 2rmx s LYS 66 N 0.83 4.48 -0.51 2.79 1.02 -1.26 -0.52 119.74 126.57 2rmx s LYS 66 Ca -0.06 1.82 -0.14 0.00 0.02 0.00 0.00 55.97 57.60 2rmx s LYS 66 Cb -0.15 -3.29 0.12 0.00 -0.52 0.00 0.00 37.83 33.99 2rmx s LYS 66 CO -0.02 -0.14 0.44 0.08 -0.92 0.00 0.00 175.35 174.80 2rmx s VAL 67 N 0.39 4.98 0.88 3.17 1.01 0.88 -4.79 120.40 126.93 2rmx s VAL 67 Ca 0.55 -1.48 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 2rmx s VAL 67 Cb -0.31 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.02 2rmx s VAL 67 CO 0.33 -0.79 1.11 -0.04 0.00 0.00 0.00 175.10 175.71 2rmx s MET 68 N 1.55 1.38 -0.11 2.72 -1.94 -0.44 -2.08 119.30 120.38 2rmx s MET 68 Ca 0.04 1.25 -0.00 0.00 -1.71 0.00 0.00 55.69 55.26 2rmx s MET 68 Cb -0.28 -1.79 0.02 0.00 2.01 0.00 0.00 34.83 34.79 2rmx s MET 68 CO 0.03 -2.28 -0.08 0.00 -0.01 0.00 0.00 175.02 172.68 2rmx s GLU 70 N 1.61 1.72 -1.20 0.00 0.41 0.12 -4.80 118.70 116.55 2rmx s GLU 70 Ca 0.03 -1.74 -0.13 0.00 -0.41 0.00 0.00 54.97 52.72 2rmx s GLU 70 Cb -0.13 -3.18 -0.01 0.00 -1.78 0.00 0.00 34.13 29.03 2rmx s GLU 70 CO -0.07 -0.86 0.73 0.41 -0.49 0.00 0.00 175.26 174.97 2rmx n GLY 71 N 4.33 -0.76 3.25 -1.39 0.00 -1.26 -1.22 105.19 108.14 2rmx n GLY 71 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.68 2.07 3.82 -0.02 0.00 -1.26 -4.98 105.19 103.14 2rmx n GLY 72 Ca -0.16 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 1.96 0.10 1.61 0.52 -0.36 -4.83 118.95 117.96 2rmx s ARG 73 Ca 0.00 0.48 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 2rmx s ARG 73 Cb 0.00 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 2rmx s ARG 73 CO 0.00 -1.67 -0.19 0.71 0.02 0.00 0.00 175.30 174.17 2rmx s TYR 74 N -3.26 1.69 0.19 -0.53 2.02 -0.95 0.11 117.35 116.63 2rmx s TYR 74 Ca 0.61 -0.43 -0.19 0.00 -0.37 0.00 0.00 57.07 56.69 2rmx s TYR 74 Cb -0.14 -0.92 0.04 0.00 -0.40 0.00 0.00 41.96 40.54 2rmx s TYR 74 CO 0.53 0.19 0.55 -0.08 -1.57 0.00 0.00 175.55 175.17 2rmx s THR 75 N -1.28 0.02 -0.50 -0.71 -1.32 -0.86 -1.13 115.64 109.85 2rmx s THR 75 Ca 0.06 -0.62 0.03 0.00 -1.21 0.00 0.00 61.69 59.95 2rmx s THR 75 Cb -0.09 -1.46 0.14 0.00 -1.51 0.00 0.00 72.50 69.57 2rmx s THR 75 CO 0.04 -0.10 0.30 0.68 -2.21 0.00 0.00 174.62 173.33 2rmx s VAL 76 N -3.85 1.82 0.00 5.08 -7.23 -1.26 -1.33 120.40 113.63 2rmx s VAL 76 Ca 0.07 -3.04 0.00 0.00 -1.81 0.00 0.00 61.98 57.20 2rmx s VAL 76 Cb -0.01 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2rmx s VAL 76 CO -0.05 -0.93 0.00 0.61 -0.31 0.00 0.00 175.10 174.43 2rmx n GLY 77 N 3.10 1.14 3.52 2.32 0.00 -1.26 -4.91 105.19 109.10 2rmx n GLY 77 Ca 0.12 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 1.57 0.37 -0.02 0.00 -1.26 -4.92 107.32 103.05 2rmx s GLY 78 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 44.72 44.90 2rmx s GLY 78 CO 0.00 0.66 1.60 1.41 0.00 0.00 0.00 173.10 176.77 2rmx h LEU 79 N -2.52 0.00 -9.31 0.66 3.38 -2.01 -3.47 115.31 102.04 2rmx h LEU 79 Ca -0.59 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 56.93 2rmx h LEU 79 Cb 1.32 0.00 0.24 0.00 0.09 0.00 0.00 40.66 42.31 2rmx h LEU 79 CO 0.49 0.30 -1.75 -0.62 0.09 0.00 0.00 178.44 176.95 2rmx n GLU 80 N -3.24 -0.93 -3.59 1.13 1.02 -1.26 -5.03 120.64 108.73 2rmx n GLU 80 Ca 0.02 -0.27 -0.12 0.00 -0.02 0.00 0.00 57.16 56.77 2rmx n GLU 80 Cb 0.59 -1.37 -0.05 0.00 -0.02 0.00 0.00 31.44 30.60 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 -2.12 0.05 0.07 2.62 -4.23 -1.26 -4.59 115.64 106.18 2rmx s THR 81 Ca 0.45 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.60 2rmx s THR 81 Cb -0.01 -1.05 -0.03 0.00 1.34 0.00 0.00 72.50 72.75 2rmx s THR 81 CO 0.63 -0.21 -0.07 -0.36 -0.54 0.00 0.00 174.62 174.07 2rmx s PHE 82 N -3.13 0.80 0.18 3.99 0.40 -0.29 -4.93 117.98 115.01 2rmx s PHE 82 Ca -0.01 -0.73 -0.13 0.00 -0.60 0.00 0.00 56.93 55.45 2rmx s PHE 82 Cb 0.00 -0.47 0.17 0.00 0.51 0.00 0.00 43.02 43.23 2rmx s PHE 82 CO -0.07 -0.12 1.75 -0.44 0.70 0.00 0.00 175.22 177.04 2rmx h ASP 83 N 3.62 0.21 -5.46 1.36 5.19 -1.90 -2.51 116.42 116.92 2rmx h ASP 83 Ca -0.36 0.06 0.19 0.00 -0.62 0.00 0.00 57.03 56.30 2rmx h ASP 83 Cb 1.18 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.68 2rmx h ASP 83 CO 0.54 0.15 0.62 -0.94 -3.12 0.00 0.00 179.24 176.49 2rmx s SER 84 N -5.40 -0.01 0.57 6.45 1.04 -1.26 -4.65 113.70 110.44 2rmx s SER 84 Ca -0.13 -0.60 0.36 0.00 0.48 0.00 0.00 55.95 56.07 2rmx s SER 84 Cb 0.15 0.46 1.42 0.00 0.10 0.00 0.00 66.02 68.14 2rmx s SER 84 CO 0.73 -0.90 1.62 -0.07 0.98 0.00 0.00 173.24 175.60 2rmx h LEU 85 N 2.00 0.00 -0.00 2.42 -0.00 -1.96 0.46 115.31 118.22 2rmx h LEU 85 Ca -0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2rmx h LEU 85 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2rmx h LEU 85 CO 0.35 0.00 -0.00 0.74 -0.00 0.00 0.00 178.44 179.53 2rmx h THR 86 N 0.00 1.46 -0.34 0.22 2.02 -1.98 -0.20 112.91 114.09 2rmx h THR 86 Ca 0.59 -1.37 -0.15 0.00 0.77 0.00 0.00 66.41 66.25 2rmx h THR 86 Cb 2.68 2.39 -0.01 0.00 -1.74 0.00 0.00 68.15 71.47 2rmx h THR 86 CO -0.01 0.36 -0.37 -0.78 0.37 0.00 0.00 175.52 175.09 2rmx h ASP 87 N -0.58 0.86 0.47 4.18 3.58 -0.62 -1.48 116.42 122.83 2rmx h ASP 87 Ca 0.00 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.05 2rmx h ASP 87 Cb 0.58 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2rmx h ASP 87 CO 0.00 1.13 -0.23 0.25 -2.88 0.00 0.00 179.24 177.52 2rmx h LEU 88 N 0.67 -0.54 0.21 2.28 6.46 -0.78 -2.54 115.31 121.06 2rmx h LEU 88 Ca 0.06 0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2rmx h LEU 88 Cb 0.93 0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.96 2rmx h LEU 88 CO 0.09 -0.21 -0.44 0.58 -0.62 0.00 0.00 178.44 177.83 2rmx h VAL 89 N -0.99 0.12 -0.62 1.05 2.07 -1.12 -1.77 116.25 114.99 2rmx h VAL 89 Ca -0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 2rmx h VAL 89 Cb 0.49 0.12 -0.11 0.00 -1.52 0.00 0.00 31.29 30.27 2rmx h VAL 89 CO 0.11 0.00 -0.48 -0.33 0.02 0.00 0.00 177.57 176.88 2rmx h GLU 90 N -0.74 -0.22 -0.08 1.57 4.39 -1.39 1.25 114.58 119.36 2rmx h GLU 90 Ca -0.00 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.74 2rmx h GLU 90 Cb 0.73 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2rmx h GLU 90 CO -0.20 -0.14 0.22 1.25 -1.16 0.00 0.00 179.01 178.98 2rmx h HIS 91 N -0.22 0.00 0.00 4.33 2.76 -1.19 0.41 115.15 121.24 2rmx h HIS 91 Ca 0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2rmx h HIS 91 Cb 0.55 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.51 2rmx h HIS 91 CO -0.77 0.00 -1.10 1.19 -1.30 0.00 0.00 177.93 175.95 2rmx n PHE 92 N -3.24 0.36 0.45 5.26 3.72 0.38 -3.16 117.46 121.23 2rmx n PHE 92 Ca -0.01 0.11 0.13 0.00 -0.05 0.00 0.00 57.45 57.63 2rmx n PHE 92 Cb 0.31 -0.53 0.43 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.46 -1.45 116.57 116.07 2rmx h LYS 93 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2rmx h LYS 93 Cb 0.80 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 2rmx h LYS 93 CO 0.00 0.00 -2.00 0.36 -0.57 0.00 0.00 179.45 177.24 2rmx n LYS 94 N -2.48 0.83 -0.01 3.15 2.85 -1.16 -4.56 118.16 116.77 2rmx n LYS 94 Ca 0.04 0.07 -0.01 0.00 -1.05 0.00 0.00 58.31 57.36 2rmx n LYS 94 Cb 0.37 -1.36 -0.00 0.00 -0.65 0.00 0.00 35.03 33.39 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 0.00 0.00 0.58 1.35 -1.61 -3.52 112.91 109.72 2rmx h THR 95 Ca -0.39 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 2rmx h THR 95 Cb 1.69 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2rmx h THR 95 CO -0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 2rmx n GLY 96 N 1.73 3.01 3.85 5.82 0.00 -0.55 -5.03 105.19 114.03 2rmx n GLY 96 Ca -0.01 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.02 5.14 -0.26 -0.61 1.01 -1.11 -4.92 121.20 118.44 2rmx s ILE 97 Ca 0.00 0.64 -0.06 0.00 0.00 0.00 0.00 60.65 61.23 2rmx s ILE 97 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 2rmx s ILE 97 CO 0.00 0.54 0.04 -0.70 0.00 0.00 0.00 174.94 174.82 2rmx s GLU 98 N -1.21 3.32 0.18 2.79 2.12 -1.26 -0.88 118.70 123.77 2rmx s GLU 98 Ca 0.23 -0.69 -0.21 0.00 0.36 0.00 0.00 54.97 54.67 2rmx s GLU 98 Cb -0.15 -3.24 -0.08 0.00 0.26 0.00 0.00 34.13 30.92 2rmx s GLU 98 CO 0.12 -0.30 0.71 -1.21 -0.54 0.00 0.00 175.26 174.05 2rmx s GLU 99 N 1.52 4.32 0.12 4.30 8.01 0.92 -4.94 118.70 132.95 2rmx s GLU 99 Ca 0.04 0.92 -0.23 0.00 0.01 0.00 0.00 54.97 55.71 2rmx s GLU 99 Cb -0.16 -3.03 -0.05 0.00 -4.31 0.00 0.00 34.13 26.58 2rmx s GLU 99 CO 0.01 0.48 1.35 0.00 0.01 0.00 0.00 175.26 177.11 2rmx n ALA 100 N 1.10 -0.48 -0.33 5.21 0.00 -1.26 0.91 120.51 125.66 2rmx n ALA 100 Ca -0.04 0.64 0.29 0.00 0.00 0.00 0.00 53.44 54.33 2rmx n ALA 100 Cb 0.50 -0.01 0.51 0.00 0.00 0.00 0.00 19.45 20.45 2rmx n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2rmx n SER 101 N -4.73 0.21 0.00 0.00 3.41 -1.26 -4.65 113.62 106.60 2rmx n SER 101 Ca 0.02 1.19 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 2rmx n SER 101 Cb 0.20 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 2rmx n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rmx n GLY 102 N -1.33 1.81 3.94 5.00 0.00 0.26 -5.14 105.19 109.74 2rmx n GLY 102 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.81 3.84 -0.26 4.61 0.00 -1.13 -4.88 121.76 122.13 2rmx s ALA 103 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.01 2rmx s ALA 103 Cb 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 23.12 21.26 2rmx s ALA 103 CO 0.00 0.31 -0.01 -0.06 0.00 0.00 0.00 175.76 176.00 2rmx s PHE 104 N -1.97 2.41 0.14 0.00 0.08 -1.26 -0.06 117.98 117.32 2rmx s PHE 104 Ca 0.37 -1.89 -0.30 0.00 0.12 0.00 0.00 56.93 55.23 2rmx s PHE 104 Cb -0.10 -1.77 -0.07 0.00 -0.57 0.00 0.00 43.02 40.51 2rmx s PHE 104 CO 0.30 -0.81 1.07 0.08 -0.10 0.00 0.00 175.22 175.76 2rmx s VAL 105 N 1.38 4.10 -0.08 -0.44 1.01 -0.06 -4.91 120.40 121.41 2rmx s VAL 105 Ca -0.01 1.74 0.04 0.00 0.00 0.00 0.00 61.98 63.76 2rmx s VAL 105 Cb -0.19 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2rmx s VAL 105 CO -0.10 0.26 -0.22 -0.31 0.00 0.00 0.00 175.10 174.74 2rmx s TYR 106 N 0.04 2.55 -0.54 5.22 2.02 -1.26 -2.74 117.35 122.64 2rmx s TYR 106 Ca 0.50 -0.72 -0.03 0.00 -0.37 0.00 0.00 57.07 56.45 2rmx s TYR 106 Cb -0.27 -1.66 0.14 0.00 -0.40 0.00 0.00 41.96 39.76 2rmx s TYR 106 CO 0.33 -0.22 0.35 -0.51 -1.57 0.00 0.00 175.55 173.92 2rmx s LEU 107 N -0.04 5.22 -0.19 -1.29 1.02 -1.26 -4.21 118.68 117.92 2rmx s LEU 107 Ca -0.06 -2.55 -0.16 0.00 0.02 0.00 0.00 54.13 51.38 2rmx s LEU 107 Cb -0.15 -1.84 -0.20 0.00 0.02 0.00 0.00 46.19 44.02 2rmx s LEU 107 CO 0.05 -0.43 0.19 0.54 0.02 0.00 0.00 176.35 176.71 2rmx n ARG 108 N 3.90 0.62 -3.88 1.70 1.74 -0.98 -4.60 116.66 115.16 2rmx n ARG 108 Ca 0.04 0.45 -0.12 0.00 -0.77 0.00 0.00 57.85 57.45 2rmx n ARG 108 Cb 0.39 -1.71 -0.13 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.44 0.07 0.00 5.56 0.00 -1.21 -5.08 119.66 116.57 2rmx s GLN 109 Ca -0.28 -0.07 0.00 0.00 -0.00 0.00 0.00 55.36 55.01 2rmx s GLN 109 Cb 0.07 0.03 0.00 0.00 0.00 0.00 0.00 33.01 33.11 2rmx s GLN 109 CO 0.63 -0.01 0.00 -0.35 0.00 0.00 0.00 175.29 175.56 2rmx n PRO 110 N 2.84 0.24 -3.73 9.60 -0.04 -1.26 -2.56 135.00 140.09 2rmx n PRO 110 Ca -0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.06 2rmx n PRO 110 Cb 0.59 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.38 0.83 -0.45 0.54 5.04 -0.78 -4.54 117.35 117.62 2rmx s TYR 111 Ca 0.00 -0.60 -0.14 0.00 -2.44 0.00 0.00 57.07 53.89 2rmx s TYR 111 Cb 0.00 -0.92 0.07 0.00 0.35 0.00 0.00 41.96 41.45 2rmx s TYR 111 CO 0.00 -0.52 0.35 0.71 -1.34 0.00 0.00 175.55 174.74 2rmx s TYR 112 N 1.92 3.26 0.13 4.97 2.02 -1.26 -4.87 117.35 123.52 2rmx s TYR 112 Ca 0.01 -1.03 -0.31 0.00 -0.37 0.00 0.00 57.07 55.36 2rmx s TYR 112 Cb -0.16 -3.03 -0.08 0.00 -0.40 0.00 0.00 41.96 38.29 2rmx s TYR 112 CO -0.07 -0.78 1.57 1.03 -1.57 0.00 0.00 175.55 175.72 2rmx h SER 113 N 8.65 -1.54 -2.12 2.29 0.87 -1.98 -3.48 113.55 116.24 2rmx h SER 113 Ca -0.27 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2rmx h SER 113 Cb 1.10 0.62 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2rmx h SER 113 CO 0.83 -0.45 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 2rmx n GLY 114 N -1.43 4.74 3.56 5.77 0.00 -1.26 -5.03 105.19 111.53 2rmx n GLY 114 Ca -0.05 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 2rmx n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rmx s PRO 115 N -4.16 2.55 -0.04 1.61 0.04 -1.26 -4.91 135.00 128.83 2rmx s PRO 115 Ca 0.00 -0.33 -0.04 0.00 0.04 0.00 0.00 61.00 60.67 2rmx s PRO 115 Cb 0.00 -5.07 0.01 0.00 0.04 0.00 0.00 34.50 29.48 2rmx s PRO 115 CO 0.00 -3.41 0.11 -1.12 0.04 0.00 0.00 177.00 172.62 2rmx s SER 116 N 7.96 -0.10 -0.73 6.66 0.01 -1.26 -5.07 113.70 121.17 2rmx s SER 116 Ca 0.70 0.19 0.03 0.00 1.31 0.00 0.00 55.95 58.18 2rmx s SER 116 Cb -0.06 0.23 0.34 0.00 0.21 0.00 0.00 66.02 66.73 2rmx s SER 116 CO -0.00 -0.06 1.27 -1.20 0.41 0.00 0.00 173.24 173.66 2rmx n SER 117 N 2.91 5.52 -0.94 2.44 7.64 -1.26 -5.23 113.62 124.70 2rmx n SER 117 Ca -0.13 -3.70 0.12 0.00 1.01 0.00 0.00 58.87 56.17 2rmx n SER 117 Cb 0.59 -0.77 0.10 0.00 -1.01 0.00 0.00 64.21 63.12 2rmx n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64