#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 -3.19 -4.73 1.61 7.64 -1.26 -4.97 113.62 108.72 2rmx n SER 2 Ca 0.00 0.45 -0.33 0.00 1.01 0.00 0.00 58.87 60.00 2rmx n SER 2 Cb 0.00 -1.01 -0.08 0.00 -1.01 0.00 0.00 64.21 62.11 2rmx n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2rmx s SER 3 N -1.33 5.43 0.00 6.43 0.01 -1.26 -5.09 113.70 117.89 2rmx s SER 3 Ca 0.55 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.91 2rmx s SER 3 Cb -0.31 -1.51 0.00 0.00 0.21 0.00 0.00 66.02 64.41 2rmx s SER 3 CO 0.68 0.29 0.00 0.61 0.41 0.00 0.00 173.24 175.23 2rmx n GLY 4 N 1.42 3.76 3.71 3.44 0.00 -1.26 -4.99 105.19 111.28 2rmx n GLY 4 Ca -0.15 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 2rmx n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rmx n SER 5 N 0.00 -2.18 -4.83 1.61 7.64 -1.26 -4.99 113.62 109.61 2rmx n SER 5 Ca 0.00 -0.78 -0.27 0.00 1.01 0.00 0.00 58.87 58.83 2rmx n SER 5 Cb 0.00 -4.17 -0.04 0.00 -1.01 0.00 0.00 64.21 58.99 2rmx n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2rmx s SER 6 N -4.11 4.51 0.00 6.43 1.04 -1.26 -5.13 113.70 115.18 2rmx s SER 6 Ca 0.16 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2rmx s SER 6 Cb -0.08 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2rmx s SER 6 CO 0.80 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2rmx n GLY 7 N -1.51 -0.93 1.67 7.32 0.00 -1.26 -4.99 105.19 105.49 2rmx n GLY 7 Ca -0.04 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 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 2.87 2.03 -3.69 1.61 -0.00 -1.26 -4.83 117.44 114.17 2rmx n TRP 8 Ca 0.00 -1.71 -0.37 0.00 -0.00 0.00 0.00 57.50 55.42 2rmx n TRP 8 Cb 0.00 -0.71 -0.12 0.00 -0.00 0.00 0.00 31.31 30.48 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 -3.27 3.14 -0.11 -2.67 5.04 -1.26 0.06 117.35 118.28 2rmx s TYR 9 Ca 0.51 -0.28 -0.11 0.00 -2.44 0.00 0.00 57.07 54.75 2rmx s TYR 9 Cb 0.44 -2.30 -0.04 0.00 0.35 0.00 0.00 41.96 40.42 2rmx s TYR 9 CO 0.05 -0.31 -0.21 0.72 -1.34 0.00 0.00 175.55 174.46 2rmx n HIS 10 N 4.97 0.15 0.00 4.97 8.25 -0.37 -5.01 115.22 128.18 2rmx n HIS 10 Ca -0.15 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2rmx n HIS 10 Cb 0.51 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.22 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 1.52 0.24 3.63 -1.41 0.00 -1.26 -4.94 105.19 102.97 2rmx n GLY 11 Ca -0.08 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 2rmx n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rmx s HIS 12 N 0.00 1.32 -0.00 1.61 3.76 -1.26 -2.99 115.29 117.73 2rmx s HIS 12 Ca 0.00 0.07 -0.29 0.00 -0.15 0.00 0.00 55.06 54.70 2rmx s HIS 12 Cb 0.00 -4.08 0.07 0.00 1.11 0.00 0.00 32.58 29.68 2rmx s HIS 12 CO 0.00 -4.65 0.65 1.41 -0.85 0.00 0.00 174.74 171.30 2rmx s MET 13 N 5.28 1.10 0.02 1.40 0.00 -1.26 -5.05 119.30 120.78 2rmx s MET 13 Ca 0.92 0.07 0.02 0.00 0.00 0.00 0.00 55.69 56.69 2rmx s MET 13 Cb -0.37 0.51 -0.04 0.00 0.00 0.00 0.00 34.83 34.94 2rmx s MET 13 CO 0.37 -0.38 0.02 -1.12 0.00 0.00 0.00 175.02 173.91 2rmx s SER 14 N -1.56 5.20 0.00 1.11 0.01 -1.26 -4.81 113.70 112.39 2rmx s SER 14 Ca -0.08 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.17 2rmx s SER 14 Cb -0.00 -1.36 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2rmx s SER 14 CO 0.04 0.26 0.85 0.61 0.41 0.00 0.00 173.24 175.41 2rmx n GLY 15 N 1.20 -3.22 0.51 3.44 0.00 -1.26 0.16 105.19 106.03 2rmx n GLY 15 Ca -0.13 0.57 0.29 0.00 0.00 0.00 0.00 46.02 46.75 2rmx n GLY 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rmx h GLY 16 N 0.00 0.00 0.37 -0.02 0.00 -2.01 -1.17 103.07 100.23 2rmx h GLY 16 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2rmx h GLY 16 CO 0.00 0.00 -0.18 -1.61 0.00 0.00 0.00 176.54 174.75 2rmx h GLN 17 N 0.00 -0.48 -0.87 4.80 5.75 -0.69 -3.20 115.11 120.43 2rmx h GLN 17 Ca 0.46 0.03 0.17 0.00 -0.15 0.00 0.00 58.65 59.17 2rmx h GLN 17 Cb 2.44 0.11 -0.16 0.00 1.07 0.00 0.00 27.48 30.93 2rmx h GLN 17 CO -0.00 -0.32 -0.22 0.00 -2.65 0.00 0.00 178.83 175.64 2rmx n ALA 18 N -2.38 0.20 -0.22 3.38 0.00 -0.45 0.85 120.51 121.89 2rmx n ALA 18 Ca -0.06 0.95 0.01 0.00 0.00 0.00 0.00 53.44 54.34 2rmx n ALA 18 Cb 0.19 -0.57 0.08 0.00 0.00 0.00 0.00 19.45 19.16 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 0.03 0.74 0.00 5.08 -1.58 0.19 114.58 119.04 2rmx h GLU 19 Ca 0.41 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.74 2rmx h GLU 19 Cb 0.63 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2rmx h GLU 19 CO -0.89 0.02 -0.35 1.15 -1.00 0.00 0.00 179.01 177.93 2rmx h THR 20 N 0.03 0.00 -0.60 1.13 2.02 0.47 0.13 112.91 116.08 2rmx h THR 20 Ca 0.33 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.59 2rmx h THR 20 Cb 0.51 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.81 2rmx h THR 20 CO -0.65 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 174.90 2rmx h LEU 21 N -1.02 -0.94 0.22 2.58 4.07 -0.98 0.27 115.31 119.50 2rmx h LEU 21 Ca -0.10 0.21 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 2rmx h LEU 21 Cb 0.76 0.51 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2rmx h LEU 21 CO 0.17 -0.27 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.07 2rmx h LEU 22 N -0.11 -0.27 -0.97 1.67 3.38 -0.61 -2.62 115.31 115.79 2rmx h LEU 22 Ca 0.26 0.01 0.32 0.00 0.09 0.00 0.00 57.88 58.56 2rmx h LEU 22 Cb 0.53 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.18 2rmx h LEU 22 CO -0.67 -0.18 0.30 1.56 0.09 0.00 0.00 178.44 179.54 2rmx h GLN 23 N -0.30 0.08 -0.89 1.13 4.20 -0.46 0.90 115.11 119.77 2rmx h GLN 23 Ca -0.03 -0.01 0.10 0.00 0.06 0.00 0.00 58.65 58.77 2rmx h GLN 23 Cb 0.23 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.92 2rmx h GLN 23 CO 0.05 0.06 0.53 0.00 -0.67 0.00 0.00 178.83 178.79 2rmx h ALA 24 N 1.93 1.28 -0.73 3.87 0.00 -0.32 -0.80 119.26 124.49 2rmx h ALA 24 Ca 0.69 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.65 2rmx h ALA 24 Cb 1.59 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 2rmx h ALA 24 CO -0.78 0.16 0.48 -0.22 0.00 0.00 0.00 179.25 178.90 2rmx h LYS 25 N 0.88 0.88 -1.93 0.00 1.63 0.12 -3.46 116.57 114.68 2rmx h LYS 25 Ca 0.43 -0.05 -0.34 0.00 -0.85 0.00 0.00 60.65 59.83 2rmx h LYS 25 Cb 0.38 -0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 31.76 2rmx h LYS 25 CO -0.24 0.58 -0.40 0.41 -3.45 0.00 0.00 179.45 176.35 2rmx n GLY 26 N -1.43 0.26 3.27 5.01 0.00 -0.31 -4.99 105.19 107.01 2rmx n GLY 26 Ca 0.09 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.43 3.27 0.38 1.61 2.02 -1.26 -5.05 118.70 115.24 2rmx s GLU 27 Ca 0.00 -0.69 -0.26 0.00 0.02 0.00 0.00 54.97 54.03 2rmx s GLU 27 Cb 0.00 -2.81 -0.09 0.00 0.10 0.00 0.00 34.13 31.33 2rmx s GLU 27 CO 0.00 -0.12 1.20 -1.25 0.02 0.00 0.00 175.26 175.11 2rmx s PRO 28 N 1.20 4.16 -0.84 0.39 0.04 -1.26 -3.14 135.00 135.54 2rmx s PRO 28 Ca 0.02 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2rmx s PRO 28 Cb -0.14 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.59 2rmx s PRO 28 CO -0.04 -0.26 0.00 0.91 0.04 0.00 0.00 177.00 177.65 2rmx n TRP 29 N 0.32 -0.29 -2.94 0.56 5.03 0.88 -4.81 117.44 116.20 2rmx n TRP 29 Ca 0.03 0.00 -0.44 0.00 3.03 0.00 0.00 57.50 60.12 2rmx n TRP 29 Cb 0.45 -2.13 -0.04 0.00 -1.03 0.00 0.00 31.31 28.57 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 -2.41 4.58 0.51 -0.99 2.01 -1.19 -2.27 115.64 115.88 2rmx s THR 30 Ca 0.00 -0.92 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 2rmx s THR 30 Cb 0.00 -4.67 0.01 0.00 0.01 0.00 0.00 72.50 67.85 2rmx s THR 30 CO 0.00 -1.40 0.76 0.72 -0.69 0.00 0.00 174.62 174.01 2rmx s PHE 31 N 3.26 3.18 -0.28 4.92 -0.71 -1.11 -2.05 117.98 125.19 2rmx s PHE 31 Ca 0.23 0.33 -0.24 0.00 -1.04 0.00 0.00 56.93 56.21 2rmx s PHE 31 Cb -0.15 -2.51 0.12 0.00 -1.21 0.00 0.00 43.02 39.27 2rmx s PHE 31 CO 0.03 -0.58 1.01 -0.48 -1.34 0.00 0.00 175.22 173.85 2rmx s LEU 32 N -4.73 -0.47 0.01 -1.99 0.05 -0.58 -1.85 118.68 109.12 2rmx s LEU 32 Ca 0.51 0.88 -0.06 0.00 0.05 0.00 0.00 54.13 55.52 2rmx s LEU 32 Cb -0.10 1.88 -0.05 0.00 -2.05 0.00 0.00 46.19 45.87 2rmx s LEU 32 CO 0.40 -0.15 0.25 -0.69 -0.55 0.00 0.00 176.35 175.61 2rmx s VAL 33 N 0.42 5.33 -0.28 1.48 1.01 0.11 -2.79 120.40 125.67 2rmx s VAL 33 Ca 0.01 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2rmx s VAL 33 Cb -0.05 -3.56 0.14 0.00 0.00 0.00 0.00 36.38 32.91 2rmx s VAL 33 CO -0.08 0.34 0.57 0.00 0.00 0.00 0.00 175.10 175.93 2rmx s ARG 34 N -1.84 0.51 0.64 2.72 1.70 -1.18 -1.24 118.95 120.25 2rmx s ARG 34 Ca 0.28 1.16 -0.15 0.00 -0.47 0.00 0.00 55.73 56.55 2rmx s ARG 34 Cb -0.13 0.56 -0.13 0.00 -0.57 0.00 0.00 34.95 34.68 2rmx s ARG 34 CO 0.17 -0.38 -0.40 -1.91 -1.08 0.00 0.00 175.30 171.70 2rmx n GLU 35 N 5.43 0.00 -0.34 3.89 2.13 -1.16 -3.25 120.64 127.33 2rmx n GLU 35 Ca -0.07 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.58 2rmx n GLU 35 Cb 0.50 -0.85 0.15 0.00 0.27 0.00 0.00 31.44 31.51 2rmx n GLU 35 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2rmx n SER 36 N 2.55 -2.46 0.01 4.31 3.41 -1.16 -4.66 113.62 115.62 2rmx n SER 36 Ca 0.02 -0.67 -0.01 0.00 -0.26 0.00 0.00 58.87 57.95 2rmx n SER 36 Cb 0.44 -0.56 -0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2rmx n SER 36 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2rmx n LEU 37 N 0.00 0.71 -2.27 1.04 4.77 -1.26 -4.82 117.00 115.17 2rmx n LEU 37 Ca 0.08 0.10 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 2rmx n LEU 37 Cb 0.33 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2rmx n LEU 37 CO 0.22 -0.57 0.12 -1.20 -1.33 0.00 0.00 177.39 174.63 2rmx n SER 38 N -3.16 3.67 -4.27 -1.43 7.64 -1.26 -5.05 113.62 109.75 2rmx n SER 38 Ca -0.02 -3.14 -0.28 0.00 1.01 0.00 0.00 58.87 56.44 2rmx n SER 38 Cb 0.07 -0.39 -0.15 0.00 -1.01 0.00 0.00 64.21 62.73 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 -3.63 1.74 -0.04 1.43 1.11 -1.26 -5.11 119.66 113.90 2rmx s GLN 39 Ca 0.42 -0.90 -0.30 0.00 0.01 0.00 0.00 55.36 54.59 2rmx s GLN 39 Cb 0.38 -1.76 -0.05 0.00 -1.01 0.00 0.00 33.01 30.57 2rmx s GLN 39 CO 0.01 0.47 1.48 -1.25 0.01 0.00 0.00 175.29 176.01 2rmx s PRO 40 N -0.82 4.23 -0.86 2.91 0.04 -1.26 -3.85 135.00 135.39 2rmx s PRO 40 Ca 0.09 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 62.89 2rmx s PRO 40 Cb -0.09 -3.75 0.04 0.00 0.04 0.00 0.00 34.50 30.73 2rmx s PRO 40 CO 0.00 -0.70 0.48 0.41 0.04 0.00 0.00 177.00 177.23 2rmx n GLY 41 N 3.83 -0.59 3.38 0.56 0.00 -1.26 -4.92 105.19 106.18 2rmx n GLY 41 Ca 0.15 0.24 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.95 1.72 0.26 1.61 -1.08 -1.25 -4.39 116.67 109.58 2rmx s ASP 42 Ca 0.35 -1.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 2rmx s ASP 42 Cb -0.20 0.05 -0.03 0.00 -1.46 0.00 0.00 42.92 41.29 2rmx s ASP 42 CO 0.69 -0.67 0.24 -0.36 0.52 0.00 0.00 175.17 175.59 2rmx s PHE 43 N -3.55 1.24 -0.02 -5.34 0.40 -0.62 -2.98 117.98 107.12 2rmx s PHE 43 Ca 0.37 -1.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.33 2rmx s PHE 43 Cb 0.08 -0.48 0.01 0.00 0.51 0.00 0.00 43.02 43.14 2rmx s PHE 43 CO 0.14 -0.79 -0.04 0.08 0.70 0.00 0.00 175.22 175.32 2rmx s VAL 44 N -3.83 0.35 -0.32 -0.44 1.01 -1.20 0.18 120.40 116.15 2rmx s VAL 44 Ca 0.37 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.25 2rmx s VAL 44 Cb 0.04 -0.34 0.08 0.00 0.00 0.00 0.00 36.38 36.16 2rmx s VAL 44 CO 0.17 0.13 0.01 -0.22 0.00 0.00 0.00 175.10 175.19 2rmx s LEU 45 N 0.30 4.30 -0.10 3.92 2.96 0.59 -3.13 118.68 127.51 2rmx s LEU 45 Ca -0.03 -1.78 -0.07 0.00 -0.22 0.00 0.00 54.13 52.04 2rmx s LEU 45 Cb -0.06 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2rmx s LEU 45 CO -0.00 -0.33 0.16 -0.44 -1.32 0.00 0.00 176.35 174.42 2rmx s SER 46 N 1.14 6.40 -0.05 3.68 0.01 -1.12 -2.06 113.70 121.71 2rmx s SER 46 Ca 0.02 0.47 -0.03 0.00 1.31 0.00 0.00 55.95 57.72 2rmx s SER 46 Cb -0.20 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 63.99 2rmx s SER 46 CO -0.06 0.38 0.12 -0.69 0.41 0.00 0.00 173.24 173.40 2rmx s VAL 47 N -1.08 -0.02 -0.71 3.43 1.01 -0.92 -1.53 120.40 120.57 2rmx s VAL 47 Ca 0.17 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 2rmx s VAL 47 Cb -0.12 -0.18 0.09 0.00 0.00 0.00 0.00 36.38 36.16 2rmx s VAL 47 CO 0.07 0.04 0.98 -0.22 0.00 0.00 0.00 175.10 175.96 2rmx s LEU 48 N 0.58 4.63 0.88 3.92 2.96 -0.87 -0.37 118.68 130.41 2rmx s LEU 48 Ca -0.04 -1.27 -0.12 0.00 -0.22 0.00 0.00 54.13 52.47 2rmx s LEU 48 Cb -0.06 -2.40 0.08 0.00 0.50 0.00 0.00 46.19 44.30 2rmx s LEU 48 CO -0.03 -1.33 0.86 -1.54 -1.32 0.00 0.00 176.35 173.00 2rmx n SER 49 N 7.33 -0.41 -0.18 3.68 3.41 0.03 -0.08 113.62 127.39 2rmx n SER 49 Ca 0.02 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 2rmx n SER 49 Cb 0.46 -1.37 0.65 0.00 -0.26 0.00 0.00 64.21 63.69 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 -2.65 0.54 -4.50 4.04 2.03 -1.26 -4.17 116.55 110.58 2rmx n ASP 50 Ca 0.11 -1.34 -0.43 0.00 0.52 0.00 0.00 54.79 53.64 2rmx n ASP 50 Cb 0.52 -0.02 -0.08 0.00 -0.72 0.00 0.00 41.12 40.82 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 -1.96 3.22 0.63 -0.67 -0.21 -1.26 -5.01 119.66 114.40 2rmx s GLN 51 Ca 0.37 -0.54 -0.16 0.00 0.02 0.00 0.00 55.36 55.05 2rmx s GLN 51 Cb 0.18 -3.95 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 2rmx s GLN 51 CO 0.30 -0.91 1.11 -1.25 -2.12 0.00 0.00 175.29 172.42 2rmx s PRO 52 N 2.46 2.92 0.07 2.91 0.04 -1.26 -2.50 135.00 139.65 2rmx s PRO 52 Ca 0.17 1.43 -0.31 0.00 0.04 0.00 0.00 61.00 62.34 2rmx s PRO 52 Cb -0.16 -1.96 -0.18 0.00 0.04 0.00 0.00 34.50 32.24 2rmx s PRO 52 CO 0.16 -1.16 1.65 0.87 0.04 0.00 0.00 177.00 178.56 2rmx h LYS 53 N 0.28 -0.66 0.00 4.56 1.57 -1.76 -3.42 116.57 117.13 2rmx h LYS 53 Ca -0.47 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2rmx h LYS 53 Cb 1.25 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2rmx h LYS 53 CO 0.55 -0.44 -0.17 0.00 -0.57 0.00 0.00 179.45 178.81 2rmx n ALA 54 N -2.39 2.61 -3.00 3.86 0.00 -1.26 -5.10 120.51 115.23 2rmx n ALA 54 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2rmx n ALA 54 Cb 0.29 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 3.13 4.48 0.26 0.00 0.00 -1.26 -4.99 105.19 106.81 2rmx n GLY 55 Ca -0.02 -0.99 0.17 0.00 0.00 0.00 0.00 46.02 45.17 2rmx n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rmx h PRO 56 N 0.00 0.00 0.00 1.61 0.13 -2.01 -2.76 132.00 128.98 2rmx h PRO 56 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2rmx h PRO 56 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2rmx h PRO 56 CO 0.00 0.00 -0.96 0.41 -0.23 0.00 0.00 178.00 177.22 2rmx n GLY 57 N -0.02 -1.36 3.86 1.56 0.00 -1.26 -4.92 105.19 103.05 2rmx n GLY 57 Ca 0.01 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -4.64 6.66 0.36 1.61 1.04 -1.04 -5.04 113.70 112.64 2rmx s SER 58 Ca 0.02 1.30 -0.27 0.00 0.48 0.00 0.00 55.95 57.47 2rmx s SER 58 Cb 0.12 -2.39 -0.09 0.00 0.10 0.00 0.00 66.02 63.76 2rmx s SER 58 CO 0.78 -0.36 1.21 -2.16 0.98 0.00 0.00 173.24 173.69 2rmx s PRO 59 N -3.54 4.25 0.40 4.02 0.04 -1.26 -4.56 135.00 134.35 2rmx s PRO 59 Ca 0.54 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 63.29 2rmx s PRO 59 Cb -0.10 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.45 2rmx s PRO 59 CO 0.25 -0.19 1.33 -0.51 0.04 0.00 0.00 177.00 177.92 2rmx s LEU 60 N -2.08 4.24 0.59 -3.56 1.43 -1.26 -2.74 118.68 115.29 2rmx s LEU 60 Ca 0.52 2.72 -0.19 0.00 -1.03 0.00 0.00 54.13 56.16 2rmx s LEU 60 Cb -0.34 -3.86 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 2rmx s LEU 60 CO 0.44 -0.85 1.19 -0.60 0.23 0.00 0.00 176.35 176.76 2rmx s ARG 61 N -2.19 3.01 -0.14 1.70 6.06 -1.04 -4.72 118.95 121.63 2rmx s ARG 61 Ca 0.56 1.76 0.00 0.00 -2.50 0.00 0.00 55.73 55.55 2rmx s ARG 61 Cb -0.40 -1.94 -0.01 0.00 0.06 0.00 0.00 34.95 32.66 2rmx s ARG 61 CO 0.51 -1.16 -0.14 0.08 -2.50 0.00 0.00 175.30 172.09 2rmx s VAL 62 N -1.68 2.86 -0.40 7.11 1.01 -1.26 -0.79 120.40 127.25 2rmx s VAL 62 Ca 0.76 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2rmx s VAL 62 Cb -0.29 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 33.91 2rmx s VAL 62 CO 0.33 0.52 0.28 -0.89 0.00 0.00 0.00 175.10 175.34 2rmx s THR 63 N 0.59 5.14 -0.23 3.92 2.01 0.50 -4.93 115.64 122.65 2rmx s THR 63 Ca -0.08 -0.69 -0.16 0.00 0.31 0.00 0.00 61.69 61.07 2rmx s THR 63 Cb -0.16 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 2rmx s THR 63 CO 0.03 -0.29 0.42 -1.00 -0.69 0.00 0.00 174.62 173.09 2rmx s HIS 64 N 1.66 3.33 -0.17 4.92 3.76 -1.26 -2.16 115.29 125.36 2rmx s HIS 64 Ca 0.05 0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 55.52 2rmx s HIS 64 Cb -0.19 -2.58 0.05 0.00 1.11 0.00 0.00 32.58 30.97 2rmx s HIS 64 CO 0.09 -0.11 -0.01 0.42 -0.85 0.00 0.00 174.74 174.29 2rmx s ILE 65 N 1.66 0.81 -0.28 0.60 1.01 -0.87 -5.00 121.20 119.13 2rmx s ILE 65 Ca 0.19 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 2rmx s ILE 65 Cb -0.15 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2rmx s ILE 65 CO 0.09 -0.03 1.56 -0.54 0.00 0.00 0.00 174.94 176.02 2rmx s LYS 66 N 1.74 3.71 -0.33 2.79 1.02 -1.26 -0.30 119.74 127.11 2rmx s LYS 66 Ca -0.00 1.44 -0.27 0.00 0.02 0.00 0.00 55.97 57.16 2rmx s LYS 66 Cb -0.16 -4.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.13 2rmx s LYS 66 CO -0.07 -1.39 0.99 0.08 -0.92 0.00 0.00 175.35 174.04 2rmx s VAL 67 N 5.36 4.57 0.95 3.17 1.01 0.13 -4.88 120.40 130.71 2rmx s VAL 67 Ca 0.69 1.51 -0.15 0.00 0.00 0.00 0.00 61.98 64.02 2rmx s VAL 67 Cb -0.21 -4.36 0.17 0.00 0.00 0.00 0.00 36.38 31.98 2rmx s VAL 67 CO 0.29 -0.47 1.22 -0.04 0.00 0.00 0.00 175.10 176.11 2rmx s MET 68 N 3.51 0.75 -0.12 2.72 -1.94 -0.17 -1.59 119.30 122.46 2rmx s MET 68 Ca 0.42 -0.10 -0.04 0.00 -1.71 0.00 0.00 55.69 54.26 2rmx s MET 68 Cb -0.12 -1.83 0.05 0.00 2.01 0.00 0.00 34.83 34.94 2rmx s MET 68 CO 0.16 -2.39 0.12 0.00 -0.01 0.00 0.00 175.02 172.90 2rmx s GLU 70 N 2.22 4.01 0.00 0.00 -6.30 0.18 -4.80 118.70 114.01 2rmx s GLU 70 Ca 0.04 -2.51 0.00 0.00 -2.50 0.00 0.00 54.97 50.00 2rmx s GLU 70 Cb -0.14 -4.97 0.00 0.00 0.00 0.00 0.00 34.13 29.02 2rmx s GLU 70 CO -0.07 -1.70 0.00 0.41 0.02 0.00 0.00 175.26 173.92 2rmx n GLY 71 N 4.19 1.71 0.00 -1.50 0.00 -1.26 -2.69 105.19 105.65 2rmx n GLY 71 Ca 0.33 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.54 3.51 -0.02 0.00 -1.26 -5.08 105.19 102.88 2rmx n GLY 72 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.70 0.68 -4.27 1.61 1.74 -1.09 -4.80 116.66 109.82 2rmx n ARG 73 Ca 0.00 -2.93 -0.23 0.00 -0.77 0.00 0.00 57.85 53.92 2rmx n ARG 73 Cb 0.00 -0.03 -0.12 0.00 -1.02 0.00 0.00 32.46 31.29 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 -2.34 1.70 0.04 -1.55 2.02 -0.88 -0.64 117.35 115.70 2rmx s TYR 74 Ca 0.46 -0.43 -0.22 0.00 -0.37 0.00 0.00 57.07 56.51 2rmx s TYR 74 Cb -0.04 -0.93 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 2rmx s TYR 74 CO 0.29 0.19 0.51 -0.08 -1.57 0.00 0.00 175.55 174.90 2rmx s THR 75 N -1.27 0.03 -0.55 -0.71 -1.32 -0.92 -1.53 115.64 109.36 2rmx s THR 75 Ca 0.06 -0.25 0.04 0.00 -1.21 0.00 0.00 61.69 60.33 2rmx s THR 75 Cb -0.10 -0.97 0.15 0.00 -1.51 0.00 0.00 72.50 70.07 2rmx s THR 75 CO 0.04 -0.14 0.34 0.68 -2.21 0.00 0.00 174.62 173.33 2rmx s VAL 76 N -2.40 2.25 0.00 5.08 -7.23 -1.26 -1.00 120.40 115.84 2rmx s VAL 76 Ca -0.06 -3.41 0.00 0.00 -1.81 0.00 0.00 61.98 56.70 2rmx s VAL 76 Cb -0.01 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2rmx s VAL 76 CO -0.01 -0.92 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 2rmx n GLY 77 N 2.81 1.28 3.72 2.32 0.00 -1.26 -4.93 105.19 109.14 2rmx n GLY 77 Ca 0.12 -0.00 -0.30 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 1.64 0.45 -0.02 0.00 -1.26 -4.94 107.32 103.19 2rmx s GLY 78 Ca 0.00 0.11 0.25 0.00 0.00 0.00 0.00 44.72 45.08 2rmx s GLY 78 CO 0.00 0.55 1.73 1.41 0.00 0.00 0.00 173.10 176.79 2rmx h LEU 79 N -1.48 0.00 -9.54 0.66 3.38 -2.00 -3.46 115.31 102.87 2rmx h LEU 79 Ca -0.47 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 2rmx h LEU 79 Cb 1.27 0.00 0.20 0.00 0.09 0.00 0.00 40.66 42.22 2rmx h LEU 79 CO 0.52 0.09 -0.74 -0.62 0.09 0.00 0.00 178.44 177.79 2rmx n GLU 80 N -3.15 -2.18 -3.81 1.13 4.71 -1.26 -5.05 120.64 111.03 2rmx n GLU 80 Ca 0.02 -0.63 -0.10 0.00 -0.01 0.00 0.00 57.16 56.45 2rmx n GLU 80 Cb 0.48 -1.68 -0.05 0.00 -1.01 0.00 0.00 31.44 29.18 2rmx n GLU 80 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 2rmx s THR 81 N -2.18 0.04 -0.05 2.62 -4.23 -1.26 -4.58 115.64 106.00 2rmx s THR 81 Ca 0.52 -0.97 -0.03 0.00 -1.18 0.00 0.00 61.69 60.03 2rmx s THR 81 Cb -0.11 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.10 2rmx s THR 81 CO 0.56 -0.18 0.12 -0.36 -0.54 0.00 0.00 174.62 174.22 2rmx s PHE 82 N -3.90 -0.13 0.33 3.99 0.40 -0.58 -4.91 117.98 113.18 2rmx s PHE 82 Ca 0.12 0.37 0.19 0.00 -0.60 0.00 0.00 56.93 57.00 2rmx s PHE 82 Cb 0.00 -0.02 1.20 0.00 0.51 0.00 0.00 43.02 44.72 2rmx s PHE 82 CO -0.02 -0.10 1.41 -0.25 0.70 0.00 0.00 175.22 176.95 2rmx n ASP 83 N 3.54 0.31 -3.37 1.36 8.00 -1.26 -2.07 116.55 123.06 2rmx n ASP 83 Ca -0.19 1.47 0.01 0.00 0.71 0.00 0.00 54.79 56.80 2rmx n ASP 83 Cb 0.56 -0.72 0.01 0.00 -0.02 0.00 0.00 41.12 40.95 2rmx n ASP 83 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2rmx n SER 84 N -5.00 -1.19 -0.44 -2.24 2.88 -1.26 -4.65 113.62 101.72 2rmx n SER 84 Ca 0.34 -1.38 0.38 0.00 -1.33 0.00 0.00 58.87 56.88 2rmx n SER 84 Cb 1.15 1.87 0.70 0.00 -0.75 0.00 0.00 64.21 67.18 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 0.14 0.77 2.46 -0.00 -1.98 0.20 115.31 116.90 2rmx h LEU 85 Ca -0.20 0.05 -0.04 0.00 -0.00 0.00 0.00 57.88 57.69 2rmx h LEU 85 Cb 1.04 0.03 0.01 0.00 -0.00 0.00 0.00 40.66 41.74 2rmx h LEU 85 CO 0.29 -0.03 -0.37 0.74 -0.00 0.00 0.00 178.44 179.06 2rmx h THR 86 N 0.09 0.04 -0.81 0.22 2.02 -1.95 0.35 112.91 112.87 2rmx h THR 86 Ca 0.72 -0.23 0.05 0.00 0.77 0.00 0.00 66.41 67.72 2rmx h THR 86 Cb 2.55 0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 68.96 2rmx h THR 86 CO -0.16 0.00 0.53 0.44 0.37 0.00 0.00 175.52 176.70 2rmx h ASP 87 N -1.25 0.82 0.31 4.18 5.19 -1.40 0.17 116.42 124.44 2rmx h ASP 87 Ca -0.11 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 2rmx h ASP 87 Cb 0.80 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2rmx h ASP 87 CO 0.17 0.54 -0.15 0.25 -3.12 0.00 0.00 179.24 176.94 2rmx h LEU 88 N 0.94 -0.36 0.31 1.55 6.46 -1.01 -2.44 115.31 120.77 2rmx h LEU 88 Ca 0.34 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 58.11 2rmx h LEU 88 Cb 0.14 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.13 2rmx h LEU 88 CO -0.11 -0.11 -0.51 0.58 -0.62 0.00 0.00 178.44 177.66 2rmx h VAL 89 N -0.70 0.02 -0.54 1.05 2.07 -0.25 -1.20 116.25 116.70 2rmx h VAL 89 Ca -0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.54 2rmx h VAL 89 Cb 0.32 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.02 2rmx h VAL 89 CO 0.07 0.00 -0.56 -0.33 0.02 0.00 0.00 177.57 176.77 2rmx h GLU 90 N -0.88 -0.30 -0.05 1.57 5.08 -0.81 1.11 114.58 120.30 2rmx h GLU 90 Ca -0.03 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2rmx h GLU 90 Cb 0.82 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2rmx h GLU 90 CO -0.17 -0.20 0.25 1.25 -1.00 0.00 0.00 179.01 179.14 2rmx h HIS 91 N -0.31 0.00 0.00 4.33 2.76 -1.24 0.54 115.15 121.23 2rmx h HIS 91 Ca 0.10 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 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 -0.79 0.00 -1.09 1.19 -1.30 0.00 0.00 177.93 175.94 2rmx n PHE 92 N -3.09 0.37 0.47 5.26 3.72 0.33 -3.11 117.46 121.40 2rmx n PHE 92 Ca -0.01 0.11 0.13 0.00 -0.05 0.00 0.00 57.45 57.62 2rmx n PHE 92 Cb 0.32 -0.53 0.40 0.00 -0.94 0.00 0.00 39.48 38.73 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 0.52 0.10 116.57 117.68 2rmx h LYS 93 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 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 -2.01 0.36 -0.57 0.00 0.00 179.45 177.23 2rmx n LYS 94 N -2.49 0.99 -0.10 3.15 2.85 -1.15 -4.62 118.16 116.79 2rmx n LYS 94 Ca 0.04 0.06 -0.16 0.00 -1.05 0.00 0.00 58.31 57.20 2rmx n LYS 94 Cb 0.40 -1.36 -0.07 0.00 -0.65 0.00 0.00 35.03 33.35 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 -2.81 1.49 0.00 0.58 -2.24 -1.18 -5.12 114.28 105.00 2rmx n THR 95 Ca -0.28 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2rmx n THR 95 Cb 0.90 -2.17 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 1.46 2.01 3.32 3.38 0.00 0.35 -5.02 105.19 110.69 2rmx n GLY 96 Ca -0.26 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.39 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 -2.23 3.08 -0.26 -0.61 1.01 -0.94 -4.89 121.20 116.36 2rmx s ILE 97 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 60.65 59.87 2rmx s ILE 97 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2rmx s ILE 97 CO 0.00 0.49 0.39 -0.70 0.00 0.00 0.00 174.94 175.12 2rmx s GLU 98 N 0.88 4.04 0.40 2.79 2.56 -1.26 -0.67 118.70 127.43 2rmx s GLU 98 Ca -0.03 0.09 -0.07 0.00 0.00 0.00 0.00 54.97 54.96 2rmx s GLU 98 Cb -0.15 -3.64 -0.05 0.00 2.00 0.00 0.00 34.13 32.28 2rmx s GLU 98 CO 0.00 -0.27 0.71 -1.21 -0.56 0.00 0.00 175.26 173.94 2rmx s GLU 99 N 2.04 3.66 0.08 4.30 0.41 0.45 -4.99 118.70 124.66 2rmx s GLU 99 Ca 0.16 0.25 -0.29 0.00 -0.41 0.00 0.00 54.97 54.67 2rmx s GLU 99 Cb -0.16 -2.46 -0.16 0.00 -1.78 0.00 0.00 34.13 29.58 2rmx s GLU 99 CO 0.10 -0.02 1.65 0.00 -0.49 0.00 0.00 175.26 176.50 2rmx h ALA 100 N 1.04 -0.61 -1.00 5.21 0.00 -1.98 -2.63 119.26 119.30 2rmx h ALA 100 Ca -0.47 -0.12 0.37 0.00 0.00 0.00 0.00 54.91 54.69 2rmx h ALA 100 Cb 1.19 0.29 -0.18 0.00 0.00 0.00 0.00 17.79 19.10 2rmx h ALA 100 CO 0.64 -0.85 0.36 0.45 0.00 0.00 0.00 179.25 179.84 2rmx n SER 101 N -5.37 0.19 0.00 0.00 2.88 -1.26 -4.71 113.62 105.34 2rmx n SER 101 Ca -0.11 1.67 0.00 0.00 -1.33 0.00 0.00 58.87 59.10 2rmx n SER 101 Cb 0.28 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.00 2rmx n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2rmx n GLY 102 N -1.34 1.13 3.74 0.46 0.00 -0.99 -5.15 105.19 103.03 2rmx n GLY 102 Ca 0.33 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.13 3.39 -0.30 4.61 0.00 -1.25 -4.94 121.76 122.15 2rmx s ALA 103 Ca 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 50.49 2rmx s ALA 103 Cb 0.00 -1.08 0.09 0.00 0.00 0.00 0.00 23.12 22.13 2rmx s ALA 103 CO 0.00 0.29 0.02 -0.06 0.00 0.00 0.00 175.76 176.02 2rmx s PHE 104 N -2.14 2.85 0.27 0.00 0.08 -1.26 -0.41 117.98 117.37 2rmx s PHE 104 Ca 0.32 -2.30 -0.29 0.00 0.12 0.00 0.00 56.93 54.77 2rmx s PHE 104 Cb -0.08 -2.19 -0.09 0.00 -0.57 0.00 0.00 43.02 40.09 2rmx s PHE 104 CO 0.22 -0.88 1.13 0.08 -0.10 0.00 0.00 175.22 175.67 2rmx s VAL 105 N 1.23 3.43 -0.01 -0.44 1.01 0.15 -4.90 120.40 120.88 2rmx s VAL 105 Ca 0.05 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.51 2rmx s VAL 105 Cb -0.19 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2rmx s VAL 105 CO -0.12 0.33 -0.23 -0.31 0.00 0.00 0.00 175.10 174.77 2rmx s TYR 106 N -1.06 2.03 -0.53 5.22 2.02 -1.26 -2.22 117.35 121.56 2rmx s TYR 106 Ca 0.46 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 2rmx s TYR 106 Cb -0.33 -1.29 0.13 0.00 -0.40 0.00 0.00 41.96 40.08 2rmx s TYR 106 CO 0.42 -0.01 0.28 -0.51 -1.57 0.00 0.00 175.55 174.15 2rmx s LEU 107 N -0.65 4.46 -0.13 -1.29 1.02 -1.26 -4.18 118.68 116.65 2rmx s LEU 107 Ca 0.09 -2.96 -0.18 0.00 0.02 0.00 0.00 54.13 51.10 2rmx s LEU 107 Cb -0.09 -1.67 -0.25 0.00 0.02 0.00 0.00 46.19 44.20 2rmx s LEU 107 CO -0.00 -0.25 0.50 0.03 0.02 0.00 0.00 176.35 176.64 2rmx h ARG 108 N 6.61 0.17 -3.25 1.70 3.08 -1.76 -3.42 114.38 117.51 2rmx h ARG 108 Ca -0.07 -0.30 -0.17 0.00 0.07 0.00 0.00 59.98 59.52 2rmx h ARG 108 Cb 0.90 0.11 -0.25 0.00 0.08 0.00 0.00 29.97 30.82 2rmx h ARG 108 CO 0.69 1.14 -0.46 1.14 -1.07 0.00 0.00 179.97 181.41 2rmx s GLN 109 N -2.44 0.31 0.00 0.04 0.00 -1.22 -5.09 119.66 111.28 2rmx s GLN 109 Ca -0.22 0.15 0.00 0.00 -0.00 0.00 0.00 55.36 55.30 2rmx s GLN 109 Cb 0.04 0.15 0.00 0.00 0.00 0.00 0.00 33.01 33.20 2rmx s GLN 109 CO 0.72 -0.05 0.00 -0.35 0.00 0.00 0.00 175.29 175.61 2rmx n PRO 110 N 2.61 0.18 -3.74 9.60 -0.04 -1.26 -2.75 135.00 139.60 2rmx n PRO 110 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 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 -0.41 1.26 -0.61 0.54 5.04 -0.77 -4.57 117.35 117.84 2rmx s TYR 111 Ca 0.00 -1.13 -0.02 0.00 -2.44 0.00 0.00 57.07 53.47 2rmx s TYR 111 Cb 0.00 -1.22 0.31 0.00 0.35 0.00 0.00 41.96 41.40 2rmx s TYR 111 CO 0.00 -0.70 2.16 0.66 -1.34 0.00 0.00 175.55 176.33 2rmx n TYR 112 N 4.98 2.55 -4.00 4.97 4.01 -1.26 -4.85 117.16 123.56 2rmx n TYR 112 Ca -0.07 -2.45 -0.33 0.00 -0.16 0.00 0.00 57.90 54.89 2rmx n TYR 112 Cb 0.45 -1.28 -0.07 0.00 -0.31 0.00 0.00 39.34 38.14 2rmx n TYR 112 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2rmx n SER 113 N -0.26 -0.89 -0.06 7.72 3.41 -1.26 -4.38 113.62 117.90 2rmx n SER 113 Ca 0.52 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 2rmx n SER 113 Cb 0.51 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2rmx n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rmx n GLY 114 N -1.32 -1.05 3.69 5.00 0.00 -1.26 -4.78 105.19 105.47 2rmx n GLY 114 Ca -0.00 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 4.28 -0.24 1.61 0.04 -1.26 -5.01 135.00 134.42 2rmx s PRO 115 Ca 0.00 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2rmx s PRO 115 Cb 0.00 -3.54 0.06 0.00 0.04 0.00 0.00 34.50 31.05 2rmx s PRO 115 CO 0.00 -0.58 -0.08 -1.12 0.04 0.00 0.00 177.00 175.26 2rmx s SER 116 N 1.87 3.97 0.29 6.66 0.01 -1.26 -5.00 113.70 120.23 2rmx s SER 116 Ca 0.65 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.72 2rmx s SER 116 Cb -0.33 -1.32 0.67 0.00 0.21 0.00 0.00 66.02 65.25 2rmx s SER 116 CO 0.28 -0.20 1.62 -1.28 0.41 0.00 0.00 173.24 174.06 2rmx h SER 117 N 7.89 -0.24 0.00 2.44 0.87 -2.00 -3.55 113.55 118.96 2rmx h SER 117 Ca -0.21 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2rmx h SER 117 Cb 1.07 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 63.39 2rmx h SER 117 CO 0.44 -0.24 0.00 0.61 -0.53 0.00 0.00 176.83 177.12