#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmx n SER 2 N 0.00 0.57 -4.57 1.61 7.64 -1.26 -4.97 113.62 112.65 2rmx n SER 2 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 2rmx n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2rmx n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2rmx s SER 3 N -4.11 5.55 -0.55 6.43 0.15 -1.26 -4.80 113.70 115.11 2rmx s SER 3 Ca 0.00 -1.33 -0.02 0.00 0.70 0.00 0.00 55.95 55.30 2rmx s SER 3 Cb 0.00 -2.57 0.23 0.00 -1.71 0.00 0.00 66.02 61.97 2rmx s SER 3 CO 0.00 -2.44 2.29 0.61 1.20 0.00 0.00 173.24 174.90 2rmx n GLY 4 N 6.36 4.84 3.77 9.45 0.00 -1.26 -4.95 105.19 123.41 2rmx n GLY 4 Ca 0.41 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.42 6.68 0.25 1.61 0.01 -1.26 -5.05 113.70 115.51 2rmx s SER 5 Ca 0.52 0.80 -0.20 0.00 1.31 0.00 0.00 55.95 58.38 2rmx s SER 5 Cb 0.39 -2.25 0.06 0.00 0.21 0.00 0.00 66.02 64.44 2rmx s SER 5 CO -0.18 0.16 0.93 -0.94 0.41 0.00 0.00 173.24 173.62 2rmx s SER 6 N -0.11 -0.03 0.00 2.44 1.04 -1.26 -5.18 113.70 110.59 2rmx s SER 6 Ca 0.23 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2rmx s SER 6 Cb -0.15 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2rmx s SER 6 CO 0.10 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2rmx n GLY 7 N -0.60 3.02 1.02 7.32 0.00 -1.26 -4.92 105.19 109.77 2rmx n GLY 7 Ca -0.05 -1.88 -0.01 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.62 0.86 -3.94 1.61 -0.00 -1.26 -4.83 117.44 108.26 2rmx n TRP 8 Ca 0.00 -1.53 -0.35 0.00 -0.00 0.00 0.00 57.50 55.62 2rmx n TRP 8 Cb 0.00 -0.43 -0.09 0.00 -0.00 0.00 0.00 31.31 30.79 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 -3.21 3.33 -0.02 -2.67 5.04 -1.26 -0.39 117.35 118.17 2rmx s TYR 9 Ca 0.43 0.21 -0.07 0.00 -2.44 0.00 0.00 57.07 55.21 2rmx s TYR 9 Cb 0.39 -2.06 -0.03 0.00 0.35 0.00 0.00 41.96 40.62 2rmx s TYR 9 CO -0.01 0.30 -0.13 0.72 -1.34 0.00 0.00 175.55 175.09 2rmx n HIS 10 N 3.20 0.00 0.00 4.97 8.25 0.10 -4.99 115.22 126.75 2rmx n HIS 10 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2rmx n HIS 10 Cb 0.53 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 2.66 0.44 3.55 -1.41 0.00 -1.26 -4.91 105.19 104.27 2rmx n GLY 11 Ca -0.08 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 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 1.54 -3.47 1.61 8.25 -1.26 -0.26 115.22 121.63 2rmx n HIS 12 Ca 0.00 0.08 -0.08 0.00 -0.26 0.00 0.00 57.72 57.47 2rmx n HIS 12 Cb 0.00 -2.63 -0.08 0.00 1.12 0.00 0.00 29.99 28.40 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 7.56 0.36 0.48 -0.41 0.00 -1.26 -4.97 119.30 121.06 2rmx s MET 13 Ca 1.03 0.80 -0.21 0.00 0.00 0.00 0.00 55.69 57.31 2rmx s MET 13 Cb -0.38 -0.03 -0.08 0.00 0.00 0.00 0.00 34.83 34.35 2rmx s MET 13 CO 0.33 -0.47 1.09 0.45 0.00 0.00 0.00 175.02 176.42 2rmx s SER 14 N 2.61 6.19 0.14 1.11 0.15 -1.26 -4.82 113.70 117.82 2rmx s SER 14 Ca 0.07 2.10 -0.30 0.00 0.70 0.00 0.00 55.95 58.52 2rmx s SER 14 Cb -0.14 -2.58 -0.06 0.00 -1.71 0.00 0.00 66.02 61.53 2rmx s SER 14 CO -0.15 -0.89 1.56 1.23 1.20 0.00 0.00 173.24 176.18 2rmx h GLY 15 N 1.71 -0.82 0.53 9.45 0.00 -2.01 0.16 103.07 112.10 2rmx h GLY 15 Ca -0.49 0.65 0.18 0.00 0.00 0.00 0.00 47.33 47.67 2rmx h GLY 15 CO 0.59 -0.14 0.54 -1.33 0.00 0.00 0.00 176.54 176.20 2rmx h GLY 16 N -0.36 0.55 0.36 4.60 0.00 -2.01 -2.79 103.07 103.41 2rmx h GLY 16 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2rmx h GLY 16 CO -0.60 0.02 -0.17 -1.61 0.00 0.00 0.00 176.54 174.18 2rmx h GLN 17 N 0.29 -0.46 -0.75 4.80 4.15 -1.08 -3.13 115.11 118.92 2rmx h GLN 17 Ca 0.39 0.03 0.18 0.00 0.77 0.00 0.00 58.65 60.02 2rmx h GLN 17 Cb 1.10 0.11 -0.14 0.00 0.21 0.00 0.00 27.48 28.75 2rmx h GLN 17 CO -0.10 -0.31 -0.09 0.00 -1.93 0.00 0.00 178.83 176.39 2rmx n ALA 18 N -2.33 0.28 -0.16 3.38 0.00 -0.70 0.16 120.51 121.15 2rmx n ALA 18 Ca -0.06 0.82 -0.02 0.00 0.00 0.00 0.00 53.44 54.18 2rmx n ALA 18 Cb 0.19 -0.54 0.06 0.00 0.00 0.00 0.00 19.45 19.15 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 0.11 0.34 0.00 5.08 -1.53 0.20 114.58 118.79 2rmx h GLU 19 Ca 0.41 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2rmx h GLU 19 Cb 0.73 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2rmx h GLU 19 CO -0.75 0.08 -0.21 1.15 -1.00 0.00 0.00 179.01 178.28 2rmx h THR 20 N 0.12 0.57 -0.42 1.13 2.02 0.16 0.58 112.91 117.07 2rmx h THR 20 Ca 0.25 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.48 2rmx h THR 20 Cb 0.37 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 2rmx h THR 20 CO -0.41 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 175.54 2rmx h LEU 21 N -0.52 0.12 0.20 2.58 4.07 -0.89 0.97 115.31 121.83 2rmx h LEU 21 Ca -0.04 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 2rmx h LEU 21 Cb 0.43 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.22 2rmx h LEU 21 CO 0.04 0.10 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.34 2rmx h LEU 22 N 0.29 -0.22 -0.97 1.67 3.38 -0.43 -2.58 115.31 116.45 2rmx h LEU 22 Ca 0.20 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.49 2rmx h LEU 22 Cb 0.20 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.85 2rmx h LEU 22 CO -0.22 -0.11 0.36 1.56 0.09 0.00 0.00 178.44 180.13 2rmx h GLN 23 N -0.37 0.14 -0.61 1.13 4.20 0.16 1.16 115.11 120.92 2rmx h GLN 23 Ca -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2rmx h GLN 23 Cb 0.20 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2rmx h GLN 23 CO 0.04 0.09 0.33 0.00 -0.67 0.00 0.00 178.83 178.63 2rmx h ALA 24 N 1.90 1.45 -0.44 3.87 0.00 -0.82 -2.01 119.26 123.21 2rmx h ALA 24 Ca 0.69 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.49 2rmx h ALA 24 Cb 1.59 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2rmx h ALA 24 CO -0.73 0.46 0.20 -0.22 0.00 0.00 0.00 179.25 178.96 2rmx h LYS 25 N 0.84 0.62 -4.32 0.00 1.63 0.18 -3.46 116.57 112.06 2rmx h LYS 25 Ca 0.22 -0.07 -0.38 0.00 -0.85 0.00 0.00 60.65 59.56 2rmx h LYS 25 Cb 0.02 -0.12 0.07 0.00 -0.60 0.00 0.00 32.23 31.59 2rmx h LYS 25 CO -0.04 0.50 -0.57 0.41 -3.45 0.00 0.00 179.45 176.30 2rmx n GLY 26 N -1.21 -0.44 3.10 5.01 0.00 -0.75 -4.99 105.19 105.90 2rmx n GLY 26 Ca 0.03 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.68 2.78 0.37 1.61 0.41 -1.26 -5.06 118.70 111.87 2rmx s GLU 27 Ca 0.31 -0.75 -0.26 0.00 -0.41 0.00 0.00 54.97 53.85 2rmx s GLU 27 Cb -0.14 -2.38 -0.09 0.00 -1.78 0.00 0.00 34.13 29.74 2rmx s GLU 27 CO 0.38 -0.16 1.20 -1.25 -0.49 0.00 0.00 175.26 174.94 2rmx s PRO 28 N 1.20 4.17 -1.04 0.39 0.04 -1.26 -3.22 135.00 135.28 2rmx s PRO 28 Ca 0.01 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 62.98 2rmx s PRO 28 Cb -0.14 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.58 2rmx s PRO 28 CO -0.09 -0.25 0.13 0.91 0.04 0.00 0.00 177.00 177.74 2rmx n TRP 29 N 0.35 -0.81 -3.12 0.56 5.03 0.15 -4.80 117.44 114.80 2rmx n TRP 29 Ca 0.03 0.11 -0.45 0.00 3.03 0.00 0.00 57.50 60.22 2rmx n TRP 29 Cb 0.45 -2.93 -0.04 0.00 -1.03 0.00 0.00 31.31 27.76 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 -2.74 4.87 0.53 -0.99 2.01 -1.20 -2.14 115.64 115.99 2rmx s THR 30 Ca 0.06 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 60.92 2rmx s THR 30 Cb -0.03 -4.50 0.01 0.00 0.01 0.00 0.00 72.50 67.99 2rmx s THR 30 CO 0.08 -1.14 0.78 0.72 -0.69 0.00 0.00 174.62 174.37 2rmx s PHE 31 N 2.51 3.12 -0.29 4.92 -0.71 -1.15 -1.76 117.98 124.63 2rmx s PHE 31 Ca 0.13 0.29 -0.18 0.00 -1.04 0.00 0.00 56.93 56.13 2rmx s PHE 31 Cb -0.23 -2.59 0.13 0.00 -1.21 0.00 0.00 43.02 39.13 2rmx s PHE 31 CO 0.04 -0.67 0.94 -0.48 -1.34 0.00 0.00 175.22 173.71 2rmx s LEU 32 N -4.76 -0.56 -0.12 -1.99 0.05 -0.02 -2.02 118.68 109.26 2rmx s LEU 32 Ca 0.53 0.93 -0.17 0.00 0.05 0.00 0.00 54.13 55.47 2rmx s LEU 32 Cb -0.10 1.87 -0.04 0.00 -2.05 0.00 0.00 46.19 45.86 2rmx s LEU 32 CO 0.40 -0.15 0.42 -0.69 -0.55 0.00 0.00 176.35 175.79 2rmx s VAL 33 N 1.13 5.21 -0.00 1.48 1.01 0.48 -2.57 120.40 127.13 2rmx s VAL 33 Ca -0.06 0.84 -0.05 0.00 0.00 0.00 0.00 61.98 62.71 2rmx s VAL 33 Cb -0.04 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 2rmx s VAL 33 CO -0.14 0.36 0.09 0.00 0.00 0.00 0.00 175.10 175.42 2rmx s ARG 34 N 0.44 0.36 0.61 2.72 1.70 -1.15 -0.73 118.95 122.91 2rmx s ARG 34 Ca 0.23 -0.32 -0.16 0.00 -0.47 0.00 0.00 55.73 55.01 2rmx s ARG 34 Cb -0.15 0.15 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 2rmx s ARG 34 CO 0.09 -0.08 1.10 -1.21 -1.08 0.00 0.00 175.30 174.12 2rmx s GLU 35 N -1.06 3.07 0.63 3.89 2.02 0.64 -2.60 118.70 125.29 2rmx s GLU 35 Ca -0.12 1.39 -0.09 0.00 0.02 0.00 0.00 54.97 56.18 2rmx s GLU 35 Cb -0.07 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.18 2rmx s GLU 35 CO 0.01 -1.04 0.98 -1.12 0.02 0.00 0.00 175.26 174.12 2rmx s SER 36 N -2.45 5.62 -0.09 -0.19 0.01 -1.23 -4.14 113.70 111.24 2rmx s SER 36 Ca 0.67 0.95 0.11 0.00 1.31 0.00 0.00 55.95 59.00 2rmx s SER 36 Cb -0.20 -1.89 -0.16 0.00 0.21 0.00 0.00 66.02 63.98 2rmx s SER 36 CO 0.37 -1.13 0.10 0.18 0.41 0.00 0.00 173.24 173.17 2rmx n LEU 37 N -2.75 0.00 -0.01 2.44 4.32 -1.26 -4.84 117.00 114.90 2rmx n LEU 37 Ca 0.05 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 56.04 2rmx n LEU 37 Cb 0.57 0.20 -0.00 0.00 -1.62 0.00 0.00 43.42 42.57 2rmx n LEU 37 CO 0.55 0.20 -0.05 -1.20 -1.22 0.00 0.00 177.39 175.68 2rmx n SER 38 N -2.29 0.13 -4.64 -1.43 7.64 -1.26 -4.92 113.62 106.86 2rmx n SER 38 Ca -0.14 0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.35 2rmx n SER 38 Cb 0.72 -0.52 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 2rmx n SER 38 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2rmx s GLN 39 N -1.13 3.81 -0.01 1.43 -0.21 -1.26 -4.94 119.66 117.35 2rmx s GLN 39 Ca -0.02 2.09 -0.30 0.00 0.02 0.00 0.00 55.36 57.15 2rmx s GLN 39 Cb 0.00 -4.14 -0.06 0.00 1.00 0.00 0.00 33.01 29.82 2rmx s GLN 39 CO 0.03 -1.31 1.46 -1.25 -2.12 0.00 0.00 175.29 172.10 2rmx s PRO 40 N 4.88 4.25 0.00 2.91 0.04 -1.26 -3.40 135.00 142.42 2rmx s PRO 40 Ca 0.83 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.89 2rmx s PRO 40 Cb -0.33 -3.65 0.00 0.00 0.04 0.00 0.00 34.50 30.56 2rmx s PRO 40 CO 0.34 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 177.14 2rmx n GLY 41 N 3.76 1.80 3.54 0.56 0.00 -1.26 -4.99 105.19 108.61 2rmx n GLY 41 Ca 0.14 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 2rmx n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rmx n ASP 42 N 2.21 0.39 -4.90 1.61 9.92 -1.22 -4.91 116.55 119.66 2rmx n ASP 42 Ca 0.00 1.00 -0.21 0.00 -0.53 0.00 0.00 54.79 55.05 2rmx n ASP 42 Cb 0.00 -1.25 -0.02 0.00 -0.64 0.00 0.00 41.12 39.21 2rmx n ASP 42 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2rmx s PHE 43 N -1.32 2.51 0.01 1.24 0.40 -0.69 -3.53 117.98 116.59 2rmx s PHE 43 Ca 0.63 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 2rmx s PHE 43 Cb -0.60 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 40.76 2rmx s PHE 43 CO 0.57 -0.25 -0.04 0.08 0.70 0.00 0.00 175.22 176.28 2rmx s VAL 44 N -2.51 0.25 -0.21 -0.44 1.01 -1.07 0.31 120.40 117.74 2rmx s VAL 44 Ca 0.48 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2rmx s VAL 44 Cb -0.04 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.12 2rmx s VAL 44 CO 0.28 -0.08 -0.16 -0.22 0.00 0.00 0.00 175.10 174.92 2rmx s LEU 45 N -0.48 2.67 -0.06 3.92 2.96 0.13 -2.96 118.68 124.86 2rmx s LEU 45 Ca -0.03 -0.94 0.02 0.00 -0.22 0.00 0.00 54.13 52.97 2rmx s LEU 45 Cb -0.04 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.11 2rmx s LEU 45 CO -0.00 -0.08 -0.10 -0.44 -1.32 0.00 0.00 176.35 174.41 2rmx s SER 46 N 1.22 4.36 0.01 3.68 0.01 -1.06 -1.08 113.70 120.84 2rmx s SER 46 Ca -0.00 -0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.14 2rmx s SER 46 Cb -0.16 -1.03 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 2rmx s SER 46 CO -0.10 0.35 0.00 -0.69 0.41 0.00 0.00 173.24 173.22 2rmx s VAL 47 N -0.75 0.09 -0.59 3.43 1.01 -1.04 -0.84 120.40 121.72 2rmx s VAL 47 Ca 0.12 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 2rmx s VAL 47 Cb -0.11 -0.27 0.15 0.00 0.00 0.00 0.00 36.38 36.15 2rmx s VAL 47 CO 0.01 -0.43 0.49 -0.22 0.00 0.00 0.00 175.10 174.95 2rmx s LEU 48 N -1.31 6.02 0.91 3.92 2.96 -0.72 -0.44 118.68 130.02 2rmx s LEU 48 Ca -0.14 -2.16 -0.12 0.00 -0.22 0.00 0.00 54.13 51.48 2rmx s LEU 48 Cb -0.09 -2.09 0.07 0.00 0.50 0.00 0.00 46.19 44.58 2rmx s LEU 48 CO -0.00 -0.67 0.71 -1.54 -1.32 0.00 0.00 176.35 173.52 2rmx n SER 49 N 4.62 -1.02 -0.23 3.68 3.41 0.27 0.33 113.62 124.68 2rmx n SER 49 Ca -0.03 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 2rmx n SER 49 Cb 0.42 -1.32 0.60 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.33 0.70 -4.52 4.04 2.03 -1.26 -4.14 116.55 111.07 2rmx n ASP 50 Ca 0.09 -1.40 -0.43 0.00 0.52 0.00 0.00 54.79 53.57 2rmx n ASP 50 Cb 0.53 -0.03 -0.07 0.00 -0.72 0.00 0.00 41.12 40.83 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 -1.95 3.28 0.50 -0.67 -0.21 -1.26 -5.00 119.66 114.36 2rmx s GLN 51 Ca 0.36 -0.40 -0.21 0.00 0.02 0.00 0.00 55.36 55.13 2rmx s GLN 51 Cb 0.18 -3.94 -0.07 0.00 1.00 0.00 0.00 33.01 30.18 2rmx s GLN 51 CO 0.29 -0.97 1.15 -1.25 -2.12 0.00 0.00 175.29 172.38 2rmx s PRO 52 N 2.72 3.55 0.19 2.91 0.04 -1.26 -2.29 135.00 140.85 2rmx s PRO 52 Ca 0.21 1.69 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 2rmx s PRO 52 Cb -0.15 -2.19 0.19 0.00 0.04 0.00 0.00 34.50 32.39 2rmx s PRO 52 CO 0.18 -0.71 1.71 0.87 0.04 0.00 0.00 177.00 179.09 2rmx h LYS 53 N 1.60 0.21 0.00 4.56 1.57 -1.80 -3.38 116.57 119.33 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 0.58 0.14 -1.02 0.00 -0.57 0.00 0.00 179.45 178.59 2rmx n ALA 54 N -2.55 2.67 0.00 3.86 0.00 -1.26 -5.10 120.51 118.13 2rmx n ALA 54 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2rmx n ALA 54 Cb 0.25 0.50 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 3.14 -0.85 3.56 0.00 0.00 -1.26 -5.03 105.19 104.76 2rmx n GLY 55 Ca -0.01 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.57 2.55 0.00 1.61 0.04 -1.26 -2.54 135.00 134.83 2rmx s PRO 56 Ca 0.00 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.59 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 6.67 1.18 3.82 0.56 0.00 -1.26 -5.14 105.19 111.01 2rmx n GLY 57 Ca 0.41 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 6.14 -0.19 1.61 1.04 -1.05 -4.98 113.70 116.27 2rmx s SER 58 Ca 0.00 1.73 -0.29 0.00 0.48 0.00 0.00 55.95 57.87 2rmx s SER 58 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2rmx s SER 58 CO 0.00 -0.92 1.58 -2.16 0.98 0.00 0.00 173.24 172.72 2rmx s PRO 59 N -4.03 3.91 0.35 4.02 0.04 -1.26 -4.55 135.00 133.48 2rmx s PRO 59 Ca 0.62 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 63.17 2rmx s PRO 59 Cb -0.14 -4.00 -0.15 0.00 0.04 0.00 0.00 34.50 30.25 2rmx s PRO 59 CO 0.34 -1.16 0.34 1.28 0.04 0.00 0.00 177.00 177.84 2rmx n LEU 60 N 8.03 -1.65 -4.77 -3.56 4.77 -1.26 -3.80 117.00 114.75 2rmx n LEU 60 Ca 0.18 0.93 -0.38 0.00 -0.03 0.00 0.00 56.01 56.71 2rmx n LEU 60 Cb 0.45 -0.97 -0.02 0.00 -2.33 0.00 0.00 43.42 40.55 2rmx n LEU 60 CO 0.63 -3.49 0.82 -0.60 -1.33 0.00 0.00 177.39 173.42 2rmx s ARG 61 N -1.15 4.07 0.15 3.23 6.06 -0.97 -4.73 118.95 125.61 2rmx s ARG 61 Ca 0.61 1.78 0.06 0.00 -2.50 0.00 0.00 55.73 55.68 2rmx s ARG 61 Cb -0.71 -2.65 -0.04 0.00 0.06 0.00 0.00 34.95 31.61 2rmx s ARG 61 CO 0.60 -0.29 0.06 0.08 -2.50 0.00 0.00 175.30 173.25 2rmx s VAL 62 N -1.46 4.12 -0.28 7.11 1.01 -1.26 -0.57 120.40 129.08 2rmx s VAL 62 Ca 0.57 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.39 2rmx s VAL 62 Cb -0.29 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.11 2rmx s VAL 62 CO 0.36 -0.06 0.03 -0.89 0.00 0.00 0.00 175.10 174.54 2rmx s THR 63 N -1.65 1.47 -0.40 3.92 2.01 0.42 -4.92 115.64 116.49 2rmx s THR 63 Ca 0.29 -1.54 -0.21 0.00 0.31 0.00 0.00 61.69 60.53 2rmx s THR 63 Cb -0.10 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.47 2rmx s THR 63 CO 0.21 -0.42 0.67 -1.00 -0.69 0.00 0.00 174.62 173.38 2rmx s HIS 64 N 1.36 3.10 -0.09 4.92 3.76 -1.26 -2.50 115.29 124.57 2rmx s HIS 64 Ca 0.04 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 2rmx s HIS 64 Cb -0.18 -3.30 -0.02 0.00 1.11 0.00 0.00 32.58 30.19 2rmx s HIS 64 CO -0.13 -0.77 -0.12 0.42 -0.85 0.00 0.00 174.74 173.30 2rmx s ILE 65 N 2.85 3.25 -0.39 0.60 1.01 -0.24 -4.99 121.20 123.29 2rmx s ILE 65 Ca 0.25 -0.63 -0.23 0.00 0.00 0.00 0.00 60.65 60.05 2rmx s ILE 65 Cb -0.14 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.02 2rmx s ILE 65 CO 0.17 0.56 0.76 -0.54 0.00 0.00 0.00 174.94 175.89 2rmx s LYS 66 N -0.29 3.64 -0.56 2.79 1.02 -1.26 -0.70 119.74 124.38 2rmx s LYS 66 Ca 0.03 0.15 -0.23 0.00 0.02 0.00 0.00 55.97 55.93 2rmx s LYS 66 Cb -0.13 -3.84 0.05 0.00 -0.52 0.00 0.00 37.83 33.39 2rmx s LYS 66 CO 0.03 -0.90 0.92 0.08 -0.92 0.00 0.00 175.35 174.55 2rmx s VAL 67 N 3.08 4.42 0.54 3.17 1.01 0.15 -4.72 120.40 128.04 2rmx s VAL 67 Ca 0.30 0.12 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 2rmx s VAL 67 Cb -0.13 -4.54 -0.06 0.00 0.00 0.00 0.00 36.38 31.65 2rmx s VAL 67 CO 0.18 -1.14 1.07 -0.04 0.00 0.00 0.00 175.10 175.17 2rmx s MET 68 N 3.86 3.52 -0.16 2.72 -1.94 -0.94 -1.71 119.30 124.65 2rmx s MET 68 Ca 0.28 1.38 -0.06 0.00 -1.71 0.00 0.00 55.69 55.58 2rmx s MET 68 Cb -0.14 -2.05 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 2rmx s MET 68 CO 0.17 -0.67 0.03 0.00 -0.01 0.00 0.00 175.02 174.55 2rmx n GLU 70 N 3.30 2.42 -3.85 0.00 -0.58 0.14 -4.84 120.64 117.24 2rmx n GLU 70 Ca -0.17 -4.54 -0.28 0.00 -0.42 0.00 0.00 57.16 51.75 2rmx n GLU 70 Cb 0.53 -2.33 0.01 0.00 -0.57 0.00 0.00 31.44 29.07 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 1.75 -0.52 0.00 0.62 0.00 -1.26 -1.99 105.19 103.78 2rmx n GLY 71 Ca 0.23 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.86 3.10 3.75 -0.02 0.00 -1.26 -5.05 105.19 103.84 2rmx n GLY 72 Ca -0.23 -0.96 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.99 -3.89 1.61 1.74 -0.84 -4.78 116.66 109.50 2rmx n ARG 73 Ca 0.00 -2.15 -0.14 0.00 -0.77 0.00 0.00 57.85 54.80 2rmx n ARG 73 Cb 0.00 -1.17 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 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 -3.63 0.10 0.23 -1.55 2.02 -0.76 -0.68 117.35 113.09 2rmx s TYR 74 Ca 0.71 0.02 0.02 0.00 -0.37 0.00 0.00 57.07 57.45 2rmx s TYR 74 Cb -0.02 -0.13 -0.05 0.00 -0.40 0.00 0.00 41.96 41.35 2rmx s TYR 74 CO 0.49 -0.03 0.03 -0.08 -1.57 0.00 0.00 175.55 174.39 2rmx s THR 75 N 0.32 0.79 -0.49 -0.71 -1.32 -0.68 -1.29 115.64 112.26 2rmx s THR 75 Ca -0.03 -2.01 0.03 0.00 -1.21 0.00 0.00 61.69 58.48 2rmx s THR 75 Cb -0.05 -2.40 0.15 0.00 -1.51 0.00 0.00 72.50 68.69 2rmx s THR 75 CO -0.01 -0.24 0.30 0.68 -2.21 0.00 0.00 174.62 173.14 2rmx s VAL 76 N -3.59 1.57 0.00 5.08 -7.23 -1.26 -2.22 120.40 112.76 2rmx s VAL 76 Ca 0.31 -2.94 0.00 0.00 -1.81 0.00 0.00 61.98 57.54 2rmx s VAL 76 Cb 0.07 -2.08 0.00 0.00 0.56 0.00 0.00 36.38 34.93 2rmx s VAL 76 CO 0.09 -0.97 0.00 0.61 -0.31 0.00 0.00 175.10 174.53 2rmx n GLY 77 N 3.11 1.15 3.49 2.32 0.00 -1.26 -4.90 105.19 109.09 2rmx n GLY 77 Ca 0.14 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 1.53 0.11 -0.02 0.00 -1.26 -4.97 107.32 102.71 2rmx s GLY 78 Ca 0.00 -1.00 0.14 0.00 0.00 0.00 0.00 44.72 43.86 2rmx s GLY 78 CO 0.00 -0.03 1.04 1.41 0.00 0.00 0.00 173.10 175.51 2rmx h LEU 79 N -2.96 0.00 -9.16 0.66 3.38 -2.00 -3.48 115.31 101.75 2rmx h LEU 79 Ca -0.42 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.17 2rmx h LEU 79 Cb 1.30 0.00 0.20 0.00 0.09 0.00 0.00 40.66 42.25 2rmx h LEU 79 CO 0.28 0.69 -1.40 -0.62 0.09 0.00 0.00 178.44 177.48 2rmx n GLU 80 N -3.08 -1.06 -3.90 1.13 -0.58 -1.26 -5.01 120.64 106.89 2rmx n GLU 80 Ca -0.06 -0.30 -0.09 0.00 -0.42 0.00 0.00 57.16 56.28 2rmx n GLU 80 Cb 0.86 -1.35 -0.06 0.00 -0.57 0.00 0.00 31.44 30.33 2rmx n GLU 80 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2rmx s THR 81 N -2.10 0.04 -0.05 2.62 -4.23 -1.26 -4.50 115.64 106.15 2rmx s THR 81 Ca 0.40 -1.22 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 2rmx s THR 81 Cb -0.02 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 72.01 2rmx s THR 81 CO 0.53 -0.19 0.13 -0.36 -0.54 0.00 0.00 174.62 174.19 2rmx s PHE 82 N -3.95 -0.14 0.21 3.99 0.40 -0.41 -4.91 117.98 113.17 2rmx s PHE 82 Ca 0.16 0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.76 2rmx s PHE 82 Cb 0.01 -0.00 0.28 0.00 0.51 0.00 0.00 43.02 43.83 2rmx s PHE 82 CO 0.01 -0.10 1.28 -3.47 0.70 0.00 0.00 175.22 173.64 2rmx n ASP 83 N 3.43 -0.42 -3.01 1.36 -0.08 -1.26 -1.82 116.55 114.75 2rmx n ASP 83 Ca -0.17 1.42 -0.06 0.00 -1.51 0.00 0.00 54.79 54.47 2rmx n ASP 83 Cb 0.56 -0.38 0.03 0.00 2.34 0.00 0.00 41.12 43.67 2rmx n ASP 83 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2rmx n SER 84 N -5.27 -2.04 -0.33 1.67 2.88 -1.26 -4.46 113.62 104.81 2rmx n SER 84 Ca 0.11 -2.28 0.36 0.00 -1.33 0.00 0.00 58.87 55.73 2rmx n SER 84 Cb 0.37 3.36 0.75 0.00 -0.75 0.00 0.00 64.21 67.94 2rmx n SER 84 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2rmx h LEU 85 N 0.00 0.00 0.56 2.46 -0.00 -1.96 0.29 115.31 116.65 2rmx h LEU 85 Ca -0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.55 2rmx h LEU 85 Cb 1.21 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.88 2rmx h LEU 85 CO 0.40 0.00 -0.27 0.74 -0.00 0.00 0.00 178.44 179.31 2rmx h THR 86 N 0.00 0.27 -0.74 0.22 2.02 -1.96 0.18 112.91 112.91 2rmx h THR 86 Ca 0.58 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 2rmx h THR 86 Cb 2.34 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 2rmx h THR 86 CO -0.01 0.04 0.38 -0.78 0.37 0.00 0.00 175.52 175.52 2rmx h ASP 87 N -1.05 0.93 0.40 4.18 3.58 -1.50 0.08 116.42 123.04 2rmx h ASP 87 Ca -0.08 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2rmx h ASP 87 Cb 0.64 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2rmx h ASP 87 CO 0.13 0.77 -0.19 0.25 -2.88 0.00 0.00 179.24 177.31 2rmx h LEU 88 N 1.04 -0.45 0.12 2.28 6.46 -1.02 -2.02 115.31 121.73 2rmx h LEU 88 Ca 0.26 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 58.05 2rmx h LEU 88 Cb 0.07 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.07 2rmx h LEU 88 CO -0.04 -0.21 -0.45 0.58 -0.62 0.00 0.00 178.44 177.70 2rmx h VAL 89 N -0.76 0.11 -0.54 1.05 2.07 -0.64 -1.80 116.25 115.75 2rmx h VAL 89 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2rmx h VAL 89 Cb 0.41 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.18 2rmx h VAL 89 CO 0.09 0.00 -0.31 -0.33 0.02 0.00 0.00 177.57 177.04 2rmx h GLU 90 N -0.68 -0.16 -0.05 1.57 5.08 -1.10 1.03 114.58 120.27 2rmx h GLU 90 Ca 0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2rmx h GLU 90 Cb 0.71 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2rmx h GLU 90 CO -0.25 -0.11 0.18 1.25 -1.00 0.00 0.00 179.01 179.08 2rmx h HIS 91 N -0.17 0.00 0.00 4.33 2.76 -0.93 -0.06 115.15 121.08 2rmx h HIS 91 Ca 0.22 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 58.07 2rmx h HIS 91 Cb 0.54 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.44 2rmx h HIS 91 CO -0.59 0.00 -1.97 1.19 -1.30 0.00 0.00 177.93 175.26 2rmx n PHE 92 N -3.20 0.65 0.28 5.26 3.72 0.29 -2.82 117.46 121.64 2rmx n PHE 92 Ca -0.01 0.23 0.15 0.00 -0.05 0.00 0.00 57.45 57.77 2rmx n PHE 92 Cb 0.25 -1.12 0.76 0.00 -0.94 0.00 0.00 39.48 38.44 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 0.22 0.62 116.57 117.90 2rmx h LYS 93 Ca -0.39 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.13 2rmx h LYS 93 Cb 2.09 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.36 2rmx h LYS 93 CO 0.06 0.00 -1.99 0.36 -0.57 0.00 0.00 179.45 177.31 2rmx n LYS 94 N -2.61 0.43 -0.07 3.15 2.85 -1.09 -4.66 118.16 116.16 2rmx n LYS 94 Ca -0.01 0.11 -0.08 0.00 -1.05 0.00 0.00 58.31 57.28 2rmx n LYS 94 Cb 0.13 -1.33 -0.05 0.00 -0.65 0.00 0.00 35.03 33.13 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 -0.07 0.54 0.00 0.58 1.35 -1.37 -3.52 112.91 110.42 2rmx h THR 95 Ca -0.40 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 63.98 2rmx h THR 95 Cb 1.58 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 2rmx h THR 95 CO -0.08 0.18 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 2rmx n GLY 96 N 1.65 2.73 3.56 5.82 0.00 0.21 -5.04 105.19 114.12 2rmx n GLY 96 Ca -0.09 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 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 -2.95 3.30 -0.08 -0.61 1.01 -0.75 -4.91 121.20 116.22 2rmx s ILE 97 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 60.65 59.48 2rmx s ILE 97 Cb 0.00 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.97 2rmx s ILE 97 CO 0.00 0.18 -0.17 -0.70 0.00 0.00 0.00 174.94 174.25 2rmx s GLU 98 N -1.98 2.23 0.19 2.79 2.12 -1.26 -0.49 118.70 122.29 2rmx s GLU 98 Ca 0.20 -0.61 -0.15 0.00 0.36 0.00 0.00 54.97 54.77 2rmx s GLU 98 Cb -0.11 -1.77 -0.07 0.00 0.26 0.00 0.00 34.13 32.44 2rmx s GLU 98 CO 0.11 0.10 0.59 -1.21 -0.54 0.00 0.00 175.26 174.32 2rmx s GLU 99 N 0.49 4.00 0.25 4.30 2.02 0.81 -4.94 118.70 125.64 2rmx s GLU 99 Ca -0.15 0.54 -0.04 0.00 0.02 0.00 0.00 54.97 55.33 2rmx s GLU 99 Cb -0.16 -2.84 0.50 0.00 0.10 0.00 0.00 34.13 31.73 2rmx s GLU 99 CO 0.06 0.41 1.68 0.00 0.02 0.00 0.00 175.26 177.43 2rmx h ALA 100 N 3.27 1.00 -0.56 5.21 0.00 -2.01 -0.09 119.26 126.08 2rmx h ALA 100 Ca -0.48 0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.70 2rmx h ALA 100 Cb 1.19 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.14 2rmx h ALA 100 CO 0.66 -0.35 0.13 0.77 0.00 0.00 0.00 179.25 180.47 2rmx h SER 101 N 0.27 0.04 0.00 0.00 0.02 -2.06 -3.45 113.55 108.37 2rmx h SER 101 Ca 0.44 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2rmx h SER 101 Cb 0.76 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.43 2rmx h SER 101 CO -0.53 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 175.81 2rmx n GLY 102 N -1.30 0.23 3.82 -3.77 0.00 -0.05 -5.16 105.19 98.95 2rmx n GLY 102 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 3.62 -0.26 4.61 0.00 -1.22 -4.90 121.76 123.37 2rmx s ALA 103 Ca 0.00 -1.49 -0.00 0.00 0.00 0.00 0.00 51.96 50.47 2rmx s ALA 103 Cb 0.00 -1.24 0.08 0.00 0.00 0.00 0.00 23.12 21.96 2rmx s ALA 103 CO 0.00 0.20 0.02 -0.06 0.00 0.00 0.00 175.76 175.92 2rmx s PHE 104 N -2.18 2.09 0.04 0.00 0.08 -1.26 -0.13 117.98 116.61 2rmx s PHE 104 Ca 0.35 -1.73 -0.26 0.00 0.12 0.00 0.00 56.93 55.40 2rmx s PHE 104 Cb -0.07 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.64 2rmx s PHE 104 CO 0.25 -0.80 0.80 0.08 -0.10 0.00 0.00 175.22 175.45 2rmx s VAL 105 N 1.49 4.73 0.03 -0.44 1.01 0.36 -4.92 120.40 122.65 2rmx s VAL 105 Ca 0.02 1.70 0.09 0.00 0.00 0.00 0.00 61.98 63.79 2rmx s VAL 105 Cb -0.18 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 2rmx s VAL 105 CO -0.13 0.34 -0.26 -0.31 0.00 0.00 0.00 175.10 174.74 2rmx s TYR 106 N 0.06 2.31 -0.46 5.22 2.02 -1.26 -1.81 117.35 123.43 2rmx s TYR 106 Ca 0.40 -0.42 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 2rmx s TYR 106 Cb -0.21 -1.41 0.12 0.00 -0.40 0.00 0.00 41.96 40.06 2rmx s TYR 106 CO 0.24 0.09 0.19 -0.51 -1.57 0.00 0.00 175.55 173.99 2rmx s LEU 107 N -1.09 4.60 -0.15 -1.29 1.02 -1.26 -4.19 118.68 116.32 2rmx s LEU 107 Ca 0.11 -2.64 -0.15 0.00 0.02 0.00 0.00 54.13 51.48 2rmx s LEU 107 Cb -0.10 -1.66 -0.23 0.00 0.02 0.00 0.00 46.19 44.21 2rmx s LEU 107 CO 0.01 -0.31 0.34 0.03 0.02 0.00 0.00 176.35 176.44 2rmx h ARG 108 N 7.03 0.15 -3.36 1.70 3.08 -1.74 -3.42 114.38 117.82 2rmx h ARG 108 Ca -0.06 -0.26 -0.17 0.00 0.07 0.00 0.00 59.98 59.56 2rmx h ARG 108 Cb 0.95 0.10 -0.24 0.00 0.08 0.00 0.00 29.97 30.85 2rmx h ARG 108 CO 0.63 1.12 -0.49 1.14 -1.07 0.00 0.00 179.97 181.30 2rmx s GLN 109 N -2.46 0.31 0.00 0.04 0.00 -1.21 -5.09 119.66 111.25 2rmx s GLN 109 Ca -0.25 0.03 0.00 0.00 -0.00 0.00 0.00 55.36 55.14 2rmx s GLN 109 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 33.01 33.21 2rmx s GLN 109 CO 0.69 -0.06 0.00 -0.35 0.00 0.00 0.00 175.29 175.58 2rmx n PRO 110 N 2.44 -0.32 -3.62 9.60 -0.04 -1.26 -2.91 135.00 138.89 2rmx n PRO 110 Ca -0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 2rmx n PRO 110 Cb 0.58 0.00 -0.16 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 -0.65 -0.08 -0.09 0.54 5.04 -0.86 -4.61 117.35 116.64 2rmx s TYR 111 Ca 0.00 0.28 -0.03 0.00 -2.44 0.00 0.00 57.07 54.88 2rmx s TYR 111 Cb 0.00 -0.41 -0.04 0.00 0.35 0.00 0.00 41.96 41.87 2rmx s TYR 111 CO 0.00 -0.37 0.04 0.71 -1.34 0.00 0.00 175.55 174.59 2rmx s TYR 112 N 2.25 3.29 0.51 4.97 2.02 -1.26 -4.86 117.35 124.26 2rmx s TYR 112 Ca 0.04 0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.99 2rmx s TYR 112 Cb -0.14 -1.83 -0.01 0.00 -0.40 0.00 0.00 41.96 39.58 2rmx s TYR 112 CO -0.07 0.55 0.79 0.45 -1.57 0.00 0.00 175.55 175.70 2rmx s SER 113 N -0.94 5.88 0.00 2.29 0.15 -1.26 -4.87 113.70 114.95 2rmx s SER 113 Ca 0.14 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2rmx s SER 113 Cb -0.12 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 2rmx s SER 113 CO 0.03 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.29 2rmx n GLY 114 N -2.32 -2.85 0.26 9.45 0.00 -1.26 -4.97 105.19 103.50 2rmx n GLY 114 Ca 0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2rmx n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rmx h PRO 115 N 0.00 0.85 -6.37 1.61 0.13 -2.07 -3.47 132.00 122.67 2rmx h PRO 115 Ca 0.00 -0.44 -0.48 0.00 -0.87 0.00 0.00 66.00 64.21 2rmx h PRO 115 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2rmx h PRO 115 CO 0.00 1.08 -0.85 0.43 -0.23 0.00 0.00 178.00 178.43 2rmx n SER 116 N -4.05 -1.20 -4.34 1.44 7.64 -1.26 -4.96 113.62 106.89 2rmx n SER 116 Ca -0.02 -0.93 -0.30 0.00 1.01 0.00 0.00 58.87 58.63 2rmx n SER 116 Cb 0.54 -3.41 0.16 0.00 -1.01 0.00 0.00 64.21 60.49 2rmx n SER 116 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2rmx s SER 117 N -4.19 3.40 0.00 6.43 1.04 -1.26 -5.33 113.70 113.78 2rmx s SER 117 Ca 0.12 0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2rmx s SER 117 Cb -0.06 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.43 2rmx s SER 117 CO 0.86 -2.57 0.00 0.61 0.98 0.00 0.00 173.24 173.12