#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 6.18 -0.94 1.61 0.15 -1.26 -5.01 113.70 114.44 2rmx s SER 2 Ca 0.00 -1.27 -0.24 0.00 0.70 0.00 0.00 55.95 55.14 2rmx s SER 2 Cb 0.00 -2.24 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 2rmx s SER 2 CO 0.00 -0.82 1.60 -0.44 1.20 0.00 0.00 173.24 174.78 2rmx s SER 3 N 2.90 6.02 0.72 5.45 0.01 -1.26 -4.88 113.70 122.67 2rmx s SER 3 Ca 0.08 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.29 2rmx s SER 3 Cb -0.23 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2rmx s SER 3 CO 0.08 -1.93 0.00 0.61 0.41 0.00 0.00 173.24 172.40 2rmx n GLY 4 N 6.69 0.50 3.93 3.44 0.00 -1.26 -4.79 105.19 113.70 2rmx n GLY 4 Ca 0.32 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.00 3.31 0.05 1.61 0.15 -1.26 -5.06 113.70 108.50 2rmx s SER 5 Ca 0.00 0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.94 2rmx s SER 5 Cb 0.00 -0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 63.90 2rmx s SER 5 CO 0.00 -2.62 -0.02 -1.20 1.20 0.00 0.00 173.24 170.61 2rmx n SER 6 N -3.69 0.75 0.00 5.45 7.64 -1.26 -4.94 113.62 117.57 2rmx n SER 6 Ca 0.14 0.10 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2rmx n SER 6 Cb 0.60 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2rmx n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rmx n GLY 7 N 3.22 -0.43 0.88 0.23 0.00 -1.26 -4.94 105.19 102.88 2rmx n GLY 7 Ca -0.01 -0.99 0.01 0.00 0.00 0.00 0.00 46.02 45.03 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 0.70 -3.95 1.61 4.27 -1.26 -4.83 117.44 113.99 2rmx n TRP 8 Ca 0.00 -1.41 -0.35 0.00 -3.89 0.00 0.00 57.50 51.85 2rmx n TRP 8 Cb 0.00 -0.38 -0.11 0.00 -1.36 0.00 0.00 31.31 29.46 2rmx n TRP 8 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 2rmx s TYR 9 N -3.15 3.14 -0.05 -2.67 5.04 -1.26 -0.34 117.35 118.06 2rmx s TYR 9 Ca 0.41 -0.21 -0.08 0.00 -2.44 0.00 0.00 57.07 54.75 2rmx s TYR 9 Cb 0.38 -2.14 -0.03 0.00 0.35 0.00 0.00 41.96 40.52 2rmx s TYR 9 CO -0.00 -0.12 -0.16 0.72 -1.34 0.00 0.00 175.55 174.64 2rmx n HIS 10 N 4.21 0.00 0.00 4.97 8.25 -0.82 -4.80 115.22 127.03 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 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 2.33 -1.09 4.06 -1.41 0.00 -1.26 -4.90 105.19 102.92 2rmx n GLY 11 Ca -0.07 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.15 -1.05 -4.55 1.61 8.25 -1.26 -4.71 115.22 112.36 2rmx n HIS 12 Ca 0.00 0.54 -0.22 0.00 -0.26 0.00 0.00 57.72 57.78 2rmx n HIS 12 Cb 0.00 -2.16 -0.15 0.00 1.12 0.00 0.00 29.99 28.80 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 -6.61 1.12 0.68 -0.41 0.00 -1.26 -5.04 119.30 107.78 2rmx s MET 13 Ca 0.19 -0.43 0.04 0.00 0.00 0.00 0.00 55.69 55.49 2rmx s MET 13 Cb -0.11 -1.04 0.12 0.00 0.00 0.00 0.00 34.83 33.80 2rmx s MET 13 CO 0.86 0.21 0.93 -1.54 0.00 0.00 0.00 175.02 175.49 2rmx s SER 14 N -0.08 4.56 -0.02 1.11 1.04 -1.26 -4.47 113.70 114.57 2rmx s SER 14 Ca 0.01 -0.65 -0.15 0.00 0.48 0.00 0.00 55.95 55.64 2rmx s SER 14 Cb -0.07 0.27 -0.08 0.00 0.10 0.00 0.00 66.02 66.23 2rmx s SER 14 CO 0.00 -1.73 0.68 1.23 0.98 0.00 0.00 173.24 174.40 2rmx h GLY 15 N -0.29 -0.56 -1.24 7.32 0.00 -2.01 -2.94 103.07 103.35 2rmx h GLY 15 Ca -0.32 0.21 0.46 0.00 0.00 0.00 0.00 47.33 47.68 2rmx h GLY 15 CO 0.39 -0.21 1.17 -1.33 0.00 0.00 0.00 176.54 176.57 2rmx h GLY 16 N -1.02 0.00 0.20 4.60 0.00 -2.01 -1.20 103.07 103.64 2rmx h GLY 16 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2rmx h GLY 16 CO 0.09 0.00 -0.09 -1.61 0.00 0.00 0.00 176.54 174.93 2rmx h GLN 17 N 0.00 -0.26 -0.93 4.80 5.75 -1.96 -3.24 115.11 119.27 2rmx h GLN 17 Ca 0.76 0.02 0.33 0.00 -0.15 0.00 0.00 58.65 59.60 2rmx h GLN 17 Cb 3.10 0.06 -0.17 0.00 1.07 0.00 0.00 27.48 31.54 2rmx h GLN 17 CO -0.01 -0.17 0.27 0.00 -2.65 0.00 0.00 178.83 176.27 2rmx n ALA 18 N -2.39 0.72 -0.20 3.38 0.00 -0.49 0.14 120.51 121.66 2rmx n ALA 18 Ca -0.03 0.97 -0.01 0.00 0.00 0.00 0.00 53.44 54.37 2rmx n ALA 18 Cb 0.10 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 18.81 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 0.43 0.48 0.00 5.08 -1.54 0.23 114.58 119.26 2rmx h GLU 19 Ca 0.68 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.99 2rmx h GLU 19 Cb 1.64 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2rmx h GLU 19 CO -0.79 0.28 -0.23 1.15 -1.00 0.00 0.00 179.01 178.42 2rmx h THR 20 N 0.44 0.47 -0.13 1.13 2.02 0.11 0.72 112.91 117.67 2rmx h THR 20 Ca 0.29 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2rmx h THR 20 Cb 0.33 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.29 2rmx h THR 20 CO -0.27 0.05 -0.19 -0.07 0.37 0.00 0.00 175.52 175.41 2rmx h LEU 21 N -0.87 -0.58 0.69 2.58 4.07 -1.16 0.28 115.31 120.32 2rmx h LEU 21 Ca -0.07 0.10 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 2rmx h LEU 21 Cb 0.58 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2rmx h LEU 21 CO 0.11 -0.24 -0.37 -0.07 -1.08 0.00 0.00 178.44 176.79 2rmx h LEU 22 N -0.24 -0.90 -0.65 1.67 3.38 -0.57 -1.91 115.31 116.10 2rmx h LEU 22 Ca 0.10 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.24 2rmx h LEU 22 Cb 0.38 0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.26 2rmx h LEU 22 CO -0.27 -0.60 -0.09 1.56 0.09 0.00 0.00 178.44 179.14 2rmx h GLN 23 N -0.97 0.05 -0.89 1.13 4.20 -0.75 0.14 115.11 118.00 2rmx h GLN 23 Ca -0.09 -0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.76 2rmx h GLN 23 Cb 0.76 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.44 2rmx h GLN 23 CO 0.13 0.03 0.50 0.00 -0.67 0.00 0.00 178.83 178.82 2rmx h ALA 24 N 1.62 1.37 -0.76 3.87 0.00 -0.34 0.62 119.26 125.64 2rmx h ALA 24 Ca 0.33 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.42 2rmx h ALA 24 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2rmx h ALA 24 CO -0.62 -0.01 0.50 -0.22 0.00 0.00 0.00 179.25 178.90 2rmx h LYS 25 N 0.72 0.55 -2.36 0.00 1.63 0.11 -3.46 116.57 113.76 2rmx h LYS 25 Ca 0.48 -0.03 -0.37 0.00 -0.85 0.00 0.00 60.65 59.88 2rmx h LYS 25 Cb 0.64 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 2rmx h LYS 25 CO -0.34 0.36 -0.45 0.41 -3.45 0.00 0.00 179.45 175.99 2rmx n GLY 26 N -1.48 -0.08 3.23 5.01 0.00 0.21 -4.98 105.19 107.09 2rmx n GLY 26 Ca 0.14 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.72 3.19 0.39 1.61 0.41 -1.26 -5.06 118.70 113.25 2rmx s GLU 27 Ca 0.00 -0.74 -0.26 0.00 -0.41 0.00 0.00 54.97 53.56 2rmx s GLU 27 Cb 0.00 -2.73 -0.09 0.00 -1.78 0.00 0.00 34.13 29.54 2rmx s GLU 27 CO 0.00 -0.13 1.19 -1.25 -0.49 0.00 0.00 175.26 174.59 2rmx s PRO 28 N 1.18 4.11 -0.90 0.39 0.04 -1.26 -3.18 135.00 135.38 2rmx s PRO 28 Ca 0.02 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2rmx s PRO 28 Cb -0.14 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2rmx s PRO 28 CO -0.05 -0.29 0.00 0.91 0.04 0.00 0.00 177.00 177.60 2rmx n TRP 29 N 0.23 -0.39 -2.94 0.56 5.03 0.12 -4.83 117.44 115.21 2rmx n TRP 29 Ca 0.03 0.00 -0.44 0.00 3.03 0.00 0.00 57.50 60.13 2rmx n TRP 29 Cb 0.45 -2.34 -0.04 0.00 -1.03 0.00 0.00 31.31 28.35 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 -2.48 4.50 0.45 -0.99 2.01 -1.19 -2.24 115.64 115.70 2rmx s THR 30 Ca 0.00 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 2rmx s THR 30 Cb 0.00 -4.63 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 2rmx s THR 30 CO 0.00 -1.36 0.69 0.72 -0.69 0.00 0.00 174.62 173.98 2rmx s PHE 31 N 3.55 3.34 -0.28 4.92 -0.71 -1.05 -1.64 117.98 126.11 2rmx s PHE 31 Ca 0.19 0.40 -0.23 0.00 -1.04 0.00 0.00 56.93 56.26 2rmx s PHE 31 Cb -0.18 -2.27 0.10 0.00 -1.21 0.00 0.00 43.02 39.45 2rmx s PHE 31 CO 0.08 -0.29 0.84 -0.48 -1.34 0.00 0.00 175.22 174.03 2rmx s LEU 32 N -4.58 -0.66 -0.12 -1.99 0.05 0.07 -1.85 118.68 109.60 2rmx s LEU 32 Ca 0.47 1.21 -0.10 0.00 0.05 0.00 0.00 54.13 55.76 2rmx s LEU 32 Cb -0.10 2.19 -0.05 0.00 -2.05 0.00 0.00 46.19 46.19 2rmx s LEU 32 CO 0.39 -0.20 0.21 -0.69 -0.55 0.00 0.00 176.35 175.51 2rmx s VAL 33 N 0.64 5.38 0.16 1.48 1.01 0.54 -2.08 120.40 127.52 2rmx s VAL 33 Ca -0.02 0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2rmx s VAL 33 Cb -0.05 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 2rmx s VAL 33 CO -0.06 0.55 0.31 0.00 0.00 0.00 0.00 175.10 175.89 2rmx s ARG 34 N -0.58 1.14 0.42 2.72 1.70 -1.11 -1.95 118.95 121.30 2rmx s ARG 34 Ca 0.15 -1.08 0.04 0.00 -0.47 0.00 0.00 55.73 54.37 2rmx s ARG 34 Cb -0.13 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 2rmx s ARG 34 CO 0.04 -0.42 0.60 -1.21 -1.08 0.00 0.00 175.30 173.23 2rmx s GLU 35 N -3.93 2.97 -0.31 3.89 0.41 -1.26 -2.34 118.70 118.13 2rmx s GLU 35 Ca 0.14 -0.82 -0.07 0.00 -0.41 0.00 0.00 54.97 53.81 2rmx s GLU 35 Cb 0.03 -2.67 0.02 0.00 -1.78 0.00 0.00 34.13 29.72 2rmx s GLU 35 CO -0.02 -0.22 0.09 0.45 -0.49 0.00 0.00 175.26 175.07 2rmx s SER 36 N -4.25 5.20 0.09 -0.19 0.15 -1.25 -4.15 113.70 109.29 2rmx s SER 36 Ca 0.49 -0.81 -0.23 0.00 0.70 0.00 0.00 55.95 56.11 2rmx s SER 36 Cb -0.10 -1.89 -0.08 0.00 -1.71 0.00 0.00 66.02 62.25 2rmx s SER 36 CO 0.35 -0.23 1.37 -0.07 1.20 0.00 0.00 173.24 175.86 2rmx h LEU 37 N 8.24 -1.26 -0.41 3.45 3.38 -1.95 -1.81 115.31 124.96 2rmx h LEU 37 Ca -0.29 0.16 0.09 0.00 0.09 0.00 0.00 57.88 57.92 2rmx h LEU 37 Cb 1.12 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 42.29 2rmx h LEU 37 CO 0.61 -0.29 -0.16 0.28 0.09 0.00 0.00 178.44 178.97 2rmx h SER 38 N -0.30 -0.57 -3.85 -0.43 0.02 -1.98 -3.28 113.55 103.16 2rmx h SER 38 Ca 0.04 0.14 -0.75 0.00 -0.84 0.00 0.00 61.79 60.39 2rmx h SER 38 Cb 0.42 0.33 -0.30 0.00 0.14 0.00 0.00 62.40 62.99 2rmx h SER 38 CO -0.38 -0.20 -0.13 -1.10 -1.14 0.00 0.00 176.83 173.88 2rmx s GLN 39 N -6.17 3.09 0.00 3.45 -0.21 -0.71 -4.90 119.66 114.21 2rmx s GLN 39 Ca -0.14 -2.39 0.10 0.00 0.02 0.00 0.00 55.36 52.95 2rmx s GLN 39 Cb 0.15 -4.12 0.59 0.00 1.00 0.00 0.00 33.01 30.62 2rmx s GLN 39 CO 0.70 -1.24 1.03 -0.35 -2.12 0.00 0.00 175.29 173.31 2rmx n PRO 40 N 3.94 0.49 -0.04 2.91 -0.04 -1.05 -2.59 135.00 138.62 2rmx n PRO 40 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2rmx n PRO 40 Cb 0.43 -1.31 -0.06 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.38 3.95 0.55 0.00 -1.26 -4.96 105.19 103.06 2rmx n GLY 41 Ca 0.07 -0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.93 4.82 0.38 1.61 2.15 -1.07 -4.88 116.67 115.75 2rmx s ASP 42 Ca -0.04 0.25 0.04 0.00 0.43 0.00 0.00 52.55 53.22 2rmx s ASP 42 Cb 0.02 -0.91 -0.04 0.00 -0.30 0.00 0.00 42.92 41.70 2rmx s ASP 42 CO 0.32 -1.55 0.11 -0.36 -0.17 0.00 0.00 175.17 173.52 2rmx s PHE 43 N -3.14 1.82 -0.08 -5.34 0.40 -0.87 -3.83 117.98 106.94 2rmx s PHE 43 Ca 0.61 -1.19 -0.12 0.00 -0.60 0.00 0.00 56.93 55.63 2rmx s PHE 43 Cb -0.10 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.28 2rmx s PHE 43 CO 0.43 -0.21 0.30 0.08 0.70 0.00 0.00 175.22 176.52 2rmx s VAL 44 N -3.27 0.02 -0.20 -0.44 1.01 -0.99 -0.57 120.40 115.97 2rmx s VAL 44 Ca 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.08 2rmx s VAL 44 Cb 0.05 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.96 2rmx s VAL 44 CO 0.15 -0.11 -0.18 -0.22 0.00 0.00 0.00 175.10 174.74 2rmx s LEU 45 N -0.41 2.45 0.01 3.92 2.96 -0.48 -2.74 118.68 124.38 2rmx s LEU 45 Ca -0.05 -0.82 0.02 0.00 -0.22 0.00 0.00 54.13 53.05 2rmx s LEU 45 Cb -0.04 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 2rmx s LEU 45 CO 0.02 -0.05 0.00 -0.44 -1.32 0.00 0.00 176.35 174.56 2rmx s SER 46 N 1.25 5.12 -0.07 3.68 0.01 -0.88 -2.01 113.70 120.79 2rmx s SER 46 Ca 0.02 -0.02 -0.09 0.00 1.31 0.00 0.00 55.95 57.17 2rmx s SER 46 Cb -0.15 -1.33 0.02 0.00 0.21 0.00 0.00 66.02 64.77 2rmx s SER 46 CO -0.11 0.27 0.24 -0.69 0.41 0.00 0.00 173.24 173.36 2rmx s VAL 47 N -1.11 0.01 -0.61 3.43 1.01 -0.86 -0.75 120.40 121.52 2rmx s VAL 47 Ca 0.20 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 2rmx s VAL 47 Cb -0.12 -0.38 0.14 0.00 0.00 0.00 0.00 36.38 36.03 2rmx s VAL 47 CO 0.11 -0.06 0.60 -0.22 0.00 0.00 0.00 175.10 175.53 2rmx s LEU 48 N -0.15 6.12 0.66 3.92 2.96 -0.65 -0.25 118.68 131.28 2rmx s LEU 48 Ca -0.03 -1.90 -0.18 0.00 -0.22 0.00 0.00 54.13 51.81 2rmx s LEU 48 Cb -0.03 -2.23 -0.00 0.00 0.50 0.00 0.00 46.19 44.43 2rmx s LEU 48 CO 0.01 -0.86 1.29 -0.94 -1.32 0.00 0.00 176.35 174.53 2rmx s SER 49 N 3.34 4.51 0.00 3.68 1.04 -0.13 0.12 113.70 126.26 2rmx s SER 49 Ca 0.08 2.61 0.19 0.00 0.48 0.00 0.00 55.95 59.31 2rmx s SER 49 Cb -0.25 -2.62 0.97 0.00 0.10 0.00 0.00 66.02 64.23 2rmx s SER 49 CO 0.01 -2.07 1.57 -0.90 0.98 0.00 0.00 173.24 172.83 2rmx n ASP 50 N -2.02 0.00 -4.59 7.02 5.75 -1.26 -3.93 116.55 117.52 2rmx n ASP 50 Ca 0.16 -0.06 -0.43 0.00 -0.01 0.00 0.00 54.79 54.45 2rmx n ASP 50 Cb 0.48 -0.25 -0.04 0.00 -1.03 0.00 0.00 41.12 40.29 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 -2.50 3.71 0.48 0.11 -0.21 -1.26 -4.97 119.66 115.02 2rmx s GLN 51 Ca 0.19 0.40 -0.22 0.00 0.02 0.00 0.00 55.36 55.76 2rmx s GLN 51 Cb 0.13 -3.86 -0.07 0.00 1.00 0.00 0.00 33.01 30.21 2rmx s GLN 51 CO 0.28 -1.09 1.15 -1.25 -2.12 0.00 0.00 175.29 172.26 2rmx s PRO 52 N 3.65 3.65 0.10 2.91 0.04 -1.26 -1.97 135.00 142.11 2rmx s PRO 52 Ca 0.38 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.83 2rmx s PRO 52 Cb -0.11 -2.29 -0.12 0.00 0.04 0.00 0.00 34.50 32.01 2rmx s PRO 52 CO 0.23 -0.63 1.60 0.87 0.04 0.00 0.00 177.00 179.10 2rmx h LYS 53 N 1.81 -0.71 0.00 4.56 1.57 -1.81 -3.39 116.57 118.61 2rmx h LYS 53 Ca -0.50 0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.13 2rmx h LYS 53 Cb 1.25 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.69 2rmx h LYS 53 CO 0.59 -0.47 -1.72 0.00 -0.57 0.00 0.00 179.45 177.28 2rmx n ALA 54 N -2.73 1.99 0.00 3.86 0.00 -1.26 -5.08 120.51 117.29 2rmx n ALA 54 Ca -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2rmx n ALA 54 Cb 0.38 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.12 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 2.48 -0.78 3.56 0.00 0.00 -1.26 -5.03 105.19 104.15 2rmx n GLY 55 Ca -0.24 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.50 2.55 0.00 1.61 0.04 -1.26 -2.58 135.00 134.86 2rmx s PRO 56 Ca 0.00 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.58 2rmx s PRO 56 Cb 0.00 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.44 2rmx s PRO 56 CO 0.00 -3.48 0.00 0.41 0.04 0.00 0.00 177.00 173.97 2rmx n GLY 57 N 6.66 1.09 3.84 0.56 0.00 -1.26 -5.14 105.19 110.94 2rmx n GLY 57 Ca 0.41 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 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 6.44 -0.23 1.61 1.04 -1.07 -4.98 113.70 116.52 2rmx s SER 58 Ca 0.00 1.58 -0.29 0.00 0.48 0.00 0.00 55.95 57.72 2rmx s SER 58 Cb 0.00 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.59 2rmx s SER 58 CO 0.00 -0.71 1.62 -2.16 0.98 0.00 0.00 173.24 172.97 2rmx s PRO 59 N -4.23 3.77 0.41 4.02 0.04 -1.26 -4.56 135.00 133.19 2rmx s PRO 59 Ca 0.59 1.64 -0.16 0.00 0.04 0.00 0.00 61.00 63.11 2rmx s PRO 59 Cb -0.11 -4.04 -0.13 0.00 0.04 0.00 0.00 34.50 30.26 2rmx s PRO 59 CO 0.35 -1.32 -0.05 1.28 0.04 0.00 0.00 177.00 177.30 2rmx n LEU 60 N 8.53 -2.97 -4.77 -3.56 4.77 -1.26 -3.94 117.00 113.80 2rmx n LEU 60 Ca 0.19 0.61 -0.36 0.00 -0.03 0.00 0.00 56.01 56.41 2rmx n LEU 60 Cb 0.45 -0.74 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 2rmx n LEU 60 CO 0.65 -3.99 0.82 -0.60 -1.33 0.00 0.00 177.39 172.93 2rmx s ARG 61 N -0.87 3.63 -0.16 3.23 6.06 -0.83 -4.75 118.95 125.26 2rmx s ARG 61 Ca 0.50 1.73 -0.00 0.00 -2.50 0.00 0.00 55.73 55.46 2rmx s ARG 61 Cb -0.47 -2.28 -0.00 0.00 0.06 0.00 0.00 34.95 32.25 2rmx s ARG 61 CO 0.56 -0.65 -0.13 0.08 -2.50 0.00 0.00 175.30 172.66 2rmx s VAL 62 N -1.61 2.82 -0.31 7.11 1.01 -1.26 -0.96 120.40 127.20 2rmx s VAL 62 Ca 0.66 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 2rmx s VAL 62 Cb -0.27 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 2rmx s VAL 62 CO 0.32 0.51 0.24 -0.89 0.00 0.00 0.00 175.10 175.28 2rmx s THR 63 N 0.82 5.28 -0.31 3.92 2.01 0.66 -4.94 115.64 123.08 2rmx s THR 63 Ca -0.05 0.04 -0.09 0.00 0.31 0.00 0.00 61.69 61.91 2rmx s THR 63 Cb -0.15 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.72 2rmx s THR 63 CO 0.00 0.12 0.13 -1.00 -0.69 0.00 0.00 174.62 173.18 2rmx s HIS 64 N 1.79 3.18 -0.10 4.92 3.76 -1.26 -2.03 115.29 125.54 2rmx s HIS 64 Ca 0.08 -0.77 0.03 0.00 -0.15 0.00 0.00 55.06 54.25 2rmx s HIS 64 Cb -0.17 -2.33 -0.01 0.00 1.11 0.00 0.00 32.58 31.19 2rmx s HIS 64 CO 0.11 -0.52 -0.21 0.42 -0.85 0.00 0.00 174.74 173.68 2rmx s ILE 65 N 1.56 2.32 0.33 0.60 1.01 -0.85 -5.01 121.20 121.16 2rmx s ILE 65 Ca 0.03 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 59.47 2rmx s ILE 65 Cb -0.17 -1.90 -0.09 0.00 0.01 0.00 0.00 42.46 40.30 2rmx s ILE 65 CO 0.05 0.56 1.14 -0.54 0.00 0.00 0.00 174.94 176.15 2rmx s LYS 66 N 0.21 4.41 -0.40 2.79 -0.14 -1.26 -1.39 119.74 123.96 2rmx s LYS 66 Ca -0.13 1.84 -0.01 0.00 -1.36 0.00 0.00 55.97 56.32 2rmx s LYS 66 Cb -0.16 -2.98 0.11 0.00 -1.68 0.00 0.00 37.83 33.11 2rmx s LYS 66 CO 0.07 -0.01 0.17 0.08 -0.76 0.00 0.00 175.35 174.90 2rmx s VAL 67 N -1.27 2.97 0.70 3.17 1.01 0.26 -4.66 120.40 122.58 2rmx s VAL 67 Ca 0.49 -2.22 -0.13 0.00 0.00 0.00 0.00 61.98 60.13 2rmx s VAL 67 Cb -0.32 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2rmx s VAL 67 CO 0.41 -0.67 1.08 -0.04 0.00 0.00 0.00 175.10 175.88 2rmx s MET 68 N 0.98 2.72 -0.24 2.72 -1.94 -0.08 -2.04 119.30 121.41 2rmx s MET 68 Ca 0.10 1.18 -0.01 0.00 -1.71 0.00 0.00 55.69 55.25 2rmx s MET 68 Cb -0.22 -1.95 0.03 0.00 2.01 0.00 0.00 34.83 34.70 2rmx s MET 68 CO -0.05 -1.29 -0.09 0.00 -0.01 0.00 0.00 175.02 173.58 2rmx s GLU 70 N 1.29 3.53 -0.81 0.00 2.56 -0.36 -4.74 118.70 120.18 2rmx s GLU 70 Ca -0.00 -2.58 -0.01 0.00 0.00 0.00 0.00 54.97 52.37 2rmx s GLU 70 Cb -0.17 -4.34 -0.00 0.00 2.00 0.00 0.00 34.13 31.62 2rmx s GLU 70 CO -0.06 -1.27 0.66 0.41 -0.56 0.00 0.00 175.26 174.44 2rmx n GLY 71 N 3.72 -1.26 3.39 -1.50 0.00 -1.26 -1.78 105.19 106.49 2rmx n GLY 71 Ca 0.14 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.71 2.00 3.26 -0.02 0.00 -1.26 -4.96 105.19 102.50 2rmx n GLY 72 Ca -0.16 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 2rmx n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rmx n ARG 73 N 0.00 -0.98 -3.95 1.61 1.74 -0.74 -4.76 116.66 109.59 2rmx n ARG 73 Ca 0.00 -1.80 -0.10 0.00 -0.77 0.00 0.00 57.85 55.18 2rmx n ARG 73 Cb 0.00 -1.09 -0.12 0.00 -1.02 0.00 0.00 32.46 30.23 2rmx n ARG 73 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2rmx s TYR 74 N -3.36 0.18 0.16 -1.55 2.02 -0.63 -1.22 117.35 112.95 2rmx s TYR 74 Ca 0.63 -0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 56.82 2rmx s TYR 74 Cb -0.02 -0.13 0.02 0.00 -0.40 0.00 0.00 41.96 41.43 2rmx s TYR 74 CO 0.44 -0.14 0.40 -0.08 -1.57 0.00 0.00 175.55 174.60 2rmx s THR 75 N -1.04 0.06 -0.52 -0.71 -1.32 -0.22 -0.86 115.64 111.03 2rmx s THR 75 Ca -0.11 -0.94 0.03 0.00 -1.21 0.00 0.00 61.69 59.46 2rmx s THR 75 Cb -0.07 -1.54 0.15 0.00 -1.51 0.00 0.00 72.50 69.53 2rmx s THR 75 CO -0.01 -0.26 0.32 0.68 -2.21 0.00 0.00 174.62 173.14 2rmx s VAL 76 N -3.88 1.91 0.00 5.08 -7.23 -1.26 -0.90 120.40 114.12 2rmx s VAL 76 Ca 0.10 -3.18 0.00 0.00 -1.81 0.00 0.00 61.98 57.09 2rmx s VAL 76 Cb 0.01 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.65 2rmx s VAL 76 CO -0.05 -0.94 0.00 0.61 -0.31 0.00 0.00 175.10 174.41 2rmx n GLY 77 N 2.96 2.32 3.01 2.32 0.00 -1.26 -4.93 105.19 109.60 2rmx n GLY 77 Ca 0.13 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 2rmx n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rmx n GLY 78 N 0.00 -2.33 0.13 -0.02 0.00 -1.26 -4.88 105.19 96.83 2rmx n GLY 78 Ca 0.00 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.51 2rmx n GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2rmx h LEU 79 N -2.35 0.00 -9.17 0.99 3.38 -2.01 -3.47 115.31 102.68 2rmx h LEU 79 Ca -0.26 -0.05 -0.39 0.00 0.09 0.00 0.00 57.88 57.27 2rmx h LEU 79 Cb 0.80 0.00 0.20 0.00 0.09 0.00 0.00 40.66 41.75 2rmx h LEU 79 CO 0.17 0.03 -1.45 -0.62 0.09 0.00 0.00 178.44 176.66 2rmx n GLU 80 N -2.57 -1.04 -3.52 1.13 1.02 -1.26 -5.04 120.64 109.36 2rmx n GLU 80 Ca 0.03 -0.30 -0.16 0.00 -0.02 0.00 0.00 57.16 56.72 2rmx n GLU 80 Cb 0.49 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.10 0.01 -0.00 2.62 -4.23 -1.26 -4.60 115.64 106.07 2rmx s THR 81 Ca 0.40 -0.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.87 2rmx s THR 81 Cb -0.01 -0.98 -0.01 0.00 1.34 0.00 0.00 72.50 72.84 2rmx s THR 81 CO 0.54 -0.04 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.15 2rmx s PHE 82 N -1.98 0.70 0.48 3.99 0.08 -0.04 -4.91 117.98 116.30 2rmx s PHE 82 Ca -0.07 -0.15 0.32 0.00 0.12 0.00 0.00 56.93 57.15 2rmx s PHE 82 Cb -0.01 -0.45 1.42 0.00 -0.57 0.00 0.00 43.02 43.42 2rmx s PHE 82 CO 0.03 -0.01 1.72 0.22 -0.10 0.00 0.00 175.22 177.07 2rmx h ASP 83 N 5.88 0.18 -1.87 1.36 3.58 -1.92 -1.68 116.42 121.95 2rmx h ASP 83 Ca -0.30 0.06 0.20 0.00 0.42 0.00 0.00 57.03 57.41 2rmx h ASP 83 Cb 1.18 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.23 2rmx h ASP 83 CO 0.49 -0.02 0.58 -1.20 -2.88 0.00 0.00 179.24 176.21 2rmx n SER 84 N -4.40 -1.12 -0.05 2.28 7.64 -1.26 -4.58 113.62 112.13 2rmx n SER 84 Ca 0.31 -1.43 0.24 0.00 1.01 0.00 0.00 58.87 59.00 2rmx n SER 84 Cb 1.29 1.78 0.72 0.00 -1.01 0.00 0.00 64.21 66.99 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 0.00 0.62 -3.43 -0.00 -1.95 -1.33 115.31 109.21 2rmx h LEU 85 Ca -0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.67 2rmx h LEU 85 Cb 0.91 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2rmx h LEU 85 CO 0.26 0.00 -0.30 0.74 -0.00 0.00 0.00 178.44 179.14 2rmx h THR 86 N 0.00 0.16 -0.59 0.22 2.02 -1.96 0.13 112.91 112.91 2rmx h THR 86 Ca 0.31 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2rmx h THR 86 Cb 1.40 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2rmx h THR 86 CO -0.00 0.02 0.39 0.44 0.37 0.00 0.00 175.52 176.74 2rmx h ASP 87 N -1.13 0.55 0.51 4.18 5.19 -1.72 0.16 116.42 124.16 2rmx h ASP 87 Ca -0.08 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 2rmx h ASP 87 Cb 0.67 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2rmx h ASP 87 CO 0.14 0.37 -0.24 0.25 -3.12 0.00 0.00 179.24 176.64 2rmx h LEU 88 N 0.63 -0.58 0.70 1.55 6.46 -1.23 -2.44 115.31 120.40 2rmx h LEU 88 Ca 0.24 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 2rmx h LEU 88 Cb 0.17 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.25 2rmx h LEU 88 CO -0.07 -0.16 -0.41 0.58 -0.62 0.00 0.00 178.44 177.76 2rmx h VAL 89 N -1.17 0.00 -0.73 1.05 2.07 -0.58 -0.76 116.25 116.12 2rmx h VAL 89 Ca -0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 2rmx h VAL 89 Cb 0.53 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.17 2rmx h VAL 89 CO 0.11 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.99 2rmx h GLU 90 N -1.04 -0.12 0.00 1.57 5.08 -0.83 1.53 114.58 120.78 2rmx h GLU 90 Ca -0.10 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2rmx h GLU 90 Cb 0.82 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2rmx h GLU 90 CO 0.11 -0.08 -0.01 1.25 -1.00 0.00 0.00 179.01 179.28 2rmx h HIS 91 N -0.12 0.00 0.00 4.33 2.76 -1.35 -0.07 115.15 120.69 2rmx h HIS 91 Ca 0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2rmx h HIS 91 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2rmx h HIS 91 CO -0.75 0.01 -1.05 1.19 -1.30 0.00 0.00 177.93 176.04 2rmx n PHE 92 N -3.49 0.33 0.41 5.26 3.72 0.43 -3.24 117.46 120.89 2rmx n PHE 92 Ca -0.03 0.09 0.13 0.00 -0.05 0.00 0.00 57.45 57.60 2rmx n PHE 92 Cb 0.10 -0.49 0.46 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.32 0.45 116.57 117.83 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 0.76 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.03 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 -2.55 0.77 -0.05 3.15 2.85 -1.20 -4.57 118.16 116.56 2rmx n LYS 94 Ca 0.03 0.07 -0.22 0.00 -1.05 0.00 0.00 58.31 57.15 2rmx n LYS 94 Cb 0.35 -1.36 -0.13 0.00 -0.65 0.00 0.00 35.03 33.24 2rmx n LYS 94 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2rmx n THR 95 N -2.89 1.65 0.00 0.58 -2.24 -1.20 -5.10 114.28 105.08 2rmx n THR 95 Ca -0.29 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2rmx n THR 95 Cb 0.86 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 2rmx n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rmx n GLY 96 N 1.69 0.10 3.53 3.38 0.00 0.16 -4.99 105.19 109.06 2rmx n GLY 96 Ca -0.32 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.08 3.67 -0.35 -0.61 1.01 -0.90 -4.92 121.20 117.03 2rmx s ILE 97 Ca 0.00 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 2rmx s ILE 97 Cb 0.00 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.96 2rmx s ILE 97 CO 0.00 0.56 0.17 -0.70 0.00 0.00 0.00 174.94 174.97 2rmx s GLU 98 N -0.36 2.90 0.26 2.79 2.12 -1.26 -0.15 118.70 125.00 2rmx s GLU 98 Ca 0.05 -1.02 -0.29 0.00 0.36 0.00 0.00 54.97 54.07 2rmx s GLU 98 Cb -0.12 -3.63 -0.09 0.00 0.26 0.00 0.00 34.13 30.55 2rmx s GLU 98 CO 0.02 -0.62 1.26 -1.21 -0.54 0.00 0.00 175.26 174.17 2rmx s GLU 99 N 1.53 4.44 0.13 4.30 2.02 0.68 -4.90 118.70 126.90 2rmx s GLU 99 Ca 0.02 2.04 -0.19 0.00 0.02 0.00 0.00 54.97 56.86 2rmx s GLU 99 Cb -0.19 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 30.91 2rmx s GLU 99 CO 0.06 -0.12 1.11 0.00 0.02 0.00 0.00 175.26 176.32 2rmx n ALA 100 N 1.70 -0.34 -0.30 5.21 0.00 -1.26 0.19 120.51 125.71 2rmx n ALA 100 Ca 0.02 0.64 0.12 0.00 0.00 0.00 0.00 53.44 54.23 2rmx n ALA 100 Cb 0.43 -0.17 0.29 0.00 0.00 0.00 0.00 19.45 20.00 2rmx n ALA 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2rmx h SER 101 N 0.00 0.25 0.00 0.00 0.87 -2.05 -3.45 113.55 109.17 2rmx h SER 101 Ca 0.16 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 2rmx h SER 101 Cb 0.34 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2rmx h SER 101 CO -0.69 -0.03 0.00 0.61 -0.53 0.00 0.00 176.83 176.19 2rmx n GLY 102 N -1.34 2.61 3.19 5.77 0.00 0.51 -5.14 105.19 110.79 2rmx n GLY 102 Ca 0.21 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2rmx n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rmx n ALA 103 N 0.00 -3.71 -3.97 4.61 0.00 -1.25 -4.37 120.51 111.83 2rmx n ALA 103 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 2rmx n ALA 103 Cb 0.00 -1.35 -0.17 0.00 0.00 0.00 0.00 19.45 17.94 2rmx n ALA 103 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2rmx s PHE 104 N -2.00 2.08 -0.00 0.00 0.08 -1.26 -0.23 117.98 116.66 2rmx s PHE 104 Ca 0.52 -1.15 -0.19 0.00 0.12 0.00 0.00 56.93 56.24 2rmx s PHE 104 Cb -0.40 -1.54 -0.06 0.00 -0.57 0.00 0.00 43.02 40.45 2rmx s PHE 104 CO 0.71 -0.64 0.53 0.08 -0.10 0.00 0.00 175.22 175.80 2rmx s VAL 105 N 1.46 4.94 -0.08 -0.44 1.01 0.79 -4.95 120.40 123.13 2rmx s VAL 105 Ca 0.04 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.17 2rmx s VAL 105 Cb -0.13 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2rmx s VAL 105 CO -0.10 0.47 -0.24 -0.31 0.00 0.00 0.00 175.10 174.92 2rmx s TYR 106 N -0.48 2.49 -0.64 5.22 2.02 -1.26 -2.11 117.35 122.59 2rmx s TYR 106 Ca 0.28 -0.85 -0.04 0.00 -0.37 0.00 0.00 57.07 56.09 2rmx s TYR 106 Cb -0.18 -1.65 0.17 0.00 -0.40 0.00 0.00 41.96 39.90 2rmx s TYR 106 CO 0.16 -0.30 0.47 -0.51 -1.57 0.00 0.00 175.55 173.80 2rmx s LEU 107 N 0.04 5.35 -0.16 -1.29 1.02 -1.26 -4.18 118.68 118.20 2rmx s LEU 107 Ca -0.10 -2.86 -0.23 0.00 0.02 0.00 0.00 54.13 50.97 2rmx s LEU 107 Cb -0.15 -1.88 -0.23 0.00 0.02 0.00 0.00 46.19 43.94 2rmx s LEU 107 CO 0.06 -0.38 0.47 0.03 0.02 0.00 0.00 176.35 176.55 2rmx h ARG 108 N 7.07 0.05 -3.55 1.70 3.08 -1.75 -3.43 114.38 117.55 2rmx h ARG 108 Ca -0.00 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.76 2rmx h ARG 108 Cb 0.96 0.03 -0.26 0.00 0.08 0.00 0.00 29.97 30.78 2rmx h ARG 108 CO 0.72 1.04 -0.60 1.14 -1.07 0.00 0.00 179.97 181.19 2rmx s GLN 109 N -2.34 0.17 0.00 0.04 0.00 -1.20 -5.07 119.66 111.26 2rmx s GLN 109 Ca -0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 55.36 55.11 2rmx s GLN 109 Cb 0.03 0.08 0.00 0.00 0.00 0.00 0.00 33.01 33.11 2rmx s GLN 109 CO 0.66 -0.03 0.00 -0.35 0.00 0.00 0.00 175.29 175.57 2rmx n PRO 110 N 2.70 0.16 -4.17 9.60 -0.04 -1.26 -2.52 135.00 139.46 2rmx n PRO 110 Ca -0.15 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.07 2rmx n PRO 110 Cb 0.58 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 -0.42 1.27 0.21 0.54 5.04 -0.77 -4.55 117.35 118.67 2rmx s TYR 111 Ca 0.00 -0.53 0.07 0.00 -2.44 0.00 0.00 57.07 54.17 2rmx s TYR 111 Cb 0.00 -1.04 -0.04 0.00 0.35 0.00 0.00 41.96 41.23 2rmx s TYR 111 CO 0.00 -0.36 0.13 0.71 -1.34 0.00 0.00 175.55 174.68 2rmx s TYR 112 N 1.24 3.04 -0.24 4.97 2.02 -1.26 -4.79 117.35 122.34 2rmx s TYR 112 Ca -0.04 -0.09 -0.07 0.00 -0.37 0.00 0.00 57.07 56.49 2rmx s TYR 112 Cb -0.14 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 39.97 2rmx s TYR 112 CO -0.02 0.53 0.06 -1.54 -1.57 0.00 0.00 175.55 173.01 2rmx s SER 113 N -3.42 5.16 0.00 2.29 1.04 -1.26 -4.91 113.70 112.59 2rmx s SER 113 Ca 0.31 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2rmx s SER 113 Cb -0.09 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.11 2rmx s SER 113 CO 0.23 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.05 2rmx n GLY 114 N 4.73 -1.23 3.69 7.32 0.00 -1.26 -4.90 105.19 113.53 2rmx n GLY 114 Ca -0.16 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 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 0.32 0.64 0.29 1.61 0.04 -1.26 -5.08 135.00 131.56 2rmx s PRO 115 Ca 0.00 0.61 0.04 0.00 0.04 0.00 0.00 61.00 61.69 2rmx s PRO 115 Cb 0.00 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 2rmx s PRO 115 CO 0.00 -2.61 0.02 0.45 0.04 0.00 0.00 177.00 174.90 2rmx s SER 116 N -3.44 2.34 -0.18 6.66 0.15 -1.26 -5.14 113.70 112.84 2rmx s SER 116 Ca 0.65 -1.30 -0.22 0.00 0.70 0.00 0.00 55.95 55.77 2rmx s SER 116 Cb -0.18 -0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.10 2rmx s SER 116 CO 0.57 -0.53 0.59 -0.44 1.20 0.00 0.00 173.24 174.64 2rmx s SER 117 N -3.44 -0.60 0.00 5.45 0.01 -1.26 -5.18 113.70 108.68 2rmx s SER 117 Ca 0.33 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.62 2rmx s SER 117 Cb 0.07 1.03 0.00 0.00 0.21 0.00 0.00 66.02 67.33 2rmx s SER 117 CO 0.13 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.09