#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 -4.56 -4.72 1.61 2.88 -1.26 -4.98 113.62 102.59 2rmx n SER 2 Ca 0.00 -0.74 -0.22 0.00 -1.33 0.00 0.00 58.87 56.57 2rmx n SER 2 Cb 0.00 -4.13 -0.06 0.00 -0.75 0.00 0.00 64.21 59.27 2rmx n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2rmx s SER 3 N -3.47 4.98 -1.02 -3.46 0.01 -1.26 -4.75 113.70 104.74 2rmx s SER 3 Ca 0.55 -0.47 -0.12 0.00 1.31 0.00 0.00 55.95 57.22 2rmx s SER 3 Cb -0.27 -1.09 -0.02 0.00 0.21 0.00 0.00 66.02 64.85 2rmx s SER 3 CO 0.81 -0.02 0.78 0.61 0.41 0.00 0.00 173.24 175.83 2rmx n GLY 4 N -1.02 -1.11 3.75 3.44 0.00 -1.26 -4.92 105.19 104.07 2rmx n GLY 4 Ca -0.07 0.50 -0.35 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.31 5.00 -0.03 1.61 0.15 -1.26 -5.05 113.70 110.81 2rmx s SER 5 Ca 0.34 2.26 -0.01 0.00 0.70 0.00 0.00 55.95 59.24 2rmx s SER 5 Cb -0.10 -2.58 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2rmx s SER 5 CO 0.83 -1.71 0.06 -0.44 1.20 0.00 0.00 173.24 173.17 2rmx s SER 6 N -1.95 0.02 0.00 5.45 0.01 -1.26 -5.13 113.70 110.85 2rmx s SER 6 Ca 0.74 0.11 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2rmx s SER 6 Cb -0.27 0.00 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2rmx s SER 6 CO 0.37 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2rmx n GLY 7 N 4.18 1.47 1.34 3.44 0.00 -1.26 -4.85 105.19 109.51 2rmx n GLY 7 Ca -0.27 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.80 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 1.48 -3.39 1.61 -0.00 -1.26 -4.81 117.44 111.07 2rmx n TRP 8 Ca 0.00 -0.95 -0.43 0.00 -0.00 0.00 0.00 57.50 56.12 2rmx n TRP 8 Cb 0.00 -0.44 -0.09 0.00 -0.00 0.00 0.00 31.31 30.78 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 -2.88 3.20 -0.10 -2.67 5.04 -1.26 -0.22 117.35 118.47 2rmx s TYR 9 Ca 0.48 -0.41 -0.04 0.00 -2.44 0.00 0.00 57.07 54.65 2rmx s TYR 9 Cb 0.38 -2.74 -0.01 0.00 0.35 0.00 0.00 41.96 39.94 2rmx s TYR 9 CO 0.11 -0.62 -0.09 0.45 -1.34 0.00 0.00 175.55 174.06 2rmx h HIS 10 N 8.65 0.00 0.00 4.97 3.86 -1.38 -3.49 115.15 127.76 2rmx h HIS 10 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2rmx h HIS 10 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2rmx h HIS 10 CO 0.60 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.80 2rmx n GLY 11 N 1.71 0.33 3.51 2.45 0.00 -1.26 -4.95 105.19 106.99 2rmx n GLY 11 Ca -0.03 -1.45 -0.45 0.00 0.00 0.00 0.00 46.02 44.09 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 1.62 -3.64 1.61 1.44 -1.26 -2.14 115.22 112.85 2rmx n HIS 12 Ca 0.00 0.13 -0.06 0.00 -2.01 0.00 0.00 57.72 55.79 2rmx n HIS 12 Cb 0.00 -2.60 -0.07 0.00 0.12 0.00 0.00 29.99 27.44 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 6.77 0.44 0.73 -1.40 0.00 -1.26 -5.01 119.30 119.58 2rmx s MET 13 Ca 1.07 0.64 -0.04 0.00 0.00 0.00 0.00 55.69 57.36 2rmx s MET 13 Cb -0.61 0.16 0.12 0.00 0.00 0.00 0.00 34.83 34.49 2rmx s MET 13 CO 0.41 -0.07 1.02 -1.12 0.00 0.00 0.00 175.02 175.26 2rmx s SER 14 N 0.81 4.35 0.00 1.11 0.01 -1.26 -4.79 113.70 113.92 2rmx s SER 14 Ca -0.03 -0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.07 2rmx s SER 14 Cb -0.04 -0.33 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 2rmx s SER 14 CO -0.11 -1.87 0.79 1.23 0.41 0.00 0.00 173.24 173.69 2rmx h GLY 15 N -0.63 -0.21 -1.62 3.44 0.00 -2.01 -2.78 103.07 99.26 2rmx h GLY 15 Ca -0.39 0.08 0.47 0.00 0.00 0.00 0.00 47.33 47.48 2rmx h GLY 15 CO 0.44 -0.08 1.35 0.61 0.00 0.00 0.00 176.54 178.87 2rmx n GLY 16 N -0.22 -0.90 0.15 4.60 0.00 -1.26 -0.75 105.19 106.80 2rmx n GLY 16 Ca -0.03 0.57 -0.05 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.32 -0.81 1.61 5.75 -1.94 -3.26 115.11 116.15 2rmx h GLN 17 Ca 0.77 0.02 0.23 0.00 -0.15 0.00 0.00 58.65 59.52 2rmx h GLN 17 Cb 3.47 0.07 -0.15 0.00 1.07 0.00 0.00 27.48 31.94 2rmx h GLN 17 CO -0.01 -0.21 0.03 0.00 -2.65 0.00 0.00 178.83 176.00 2rmx n ALA 18 N -2.45 0.43 -0.18 3.38 0.00 0.07 0.16 120.51 121.92 2rmx n ALA 18 Ca -0.04 0.86 -0.01 0.00 0.00 0.00 0.00 53.44 54.25 2rmx n ALA 18 Cb 0.13 -0.64 0.08 0.00 0.00 0.00 0.00 19.45 19.02 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 0.23 0.74 0.00 5.08 -1.60 0.15 114.58 119.18 2rmx h GLU 19 Ca 0.50 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.81 2rmx h GLU 19 Cb 1.05 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.25 2rmx h GLU 19 CO -0.75 0.15 -0.36 1.15 -1.00 0.00 0.00 179.01 178.20 2rmx h THR 20 N 0.24 0.16 -0.96 1.13 2.02 0.14 0.53 112.91 116.17 2rmx h THR 20 Ca 0.28 -0.18 0.20 0.00 0.77 0.00 0.00 66.41 67.47 2rmx h THR 20 Cb 0.40 0.19 -0.11 0.00 -1.74 0.00 0.00 68.15 66.89 2rmx h THR 20 CO -0.37 0.01 0.54 -0.07 0.37 0.00 0.00 175.52 176.00 2rmx h LEU 21 N -1.15 0.64 0.05 2.58 4.07 -1.13 0.27 115.31 120.64 2rmx h LEU 21 Ca -0.10 0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2rmx h LEU 21 Cb 0.78 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.54 2rmx h LEU 21 CO 0.17 0.18 -0.03 -0.07 -1.08 0.00 0.00 178.44 177.61 2rmx h LEU 22 N 0.64 -0.06 -0.97 1.67 3.38 -0.59 -3.14 115.31 116.23 2rmx h LEU 22 Ca 0.57 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.86 2rmx h LEU 22 Cb 0.95 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.54 2rmx h LEU 22 CO -0.42 0.03 0.32 1.56 0.09 0.00 0.00 178.44 180.02 2rmx h GLN 23 N -0.21 0.09 -0.69 1.13 4.20 0.20 0.71 115.11 120.54 2rmx h GLN 23 Ca -0.01 -0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.78 2rmx h GLN 23 Cb 0.05 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 2rmx h GLN 23 CO 0.01 0.06 0.35 0.00 -0.67 0.00 0.00 178.83 178.58 2rmx h ALA 24 N 1.93 0.93 -0.62 3.87 0.00 -0.57 -1.91 119.26 122.90 2rmx h ALA 24 Ca 0.70 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.73 2rmx h ALA 24 Cb 1.63 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 2rmx h ALA 24 CO -0.77 -0.02 0.29 -0.22 0.00 0.00 0.00 179.25 178.52 2rmx h LYS 25 N 0.62 0.50 -0.09 0.00 1.63 0.49 -3.46 116.57 116.26 2rmx h LYS 25 Ca 0.33 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.06 2rmx h LYS 25 Cb 0.30 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 2rmx h LYS 25 CO -0.24 0.33 -0.03 0.41 -3.45 0.00 0.00 179.45 176.47 2rmx n GLY 26 N -1.28 0.52 3.62 5.01 0.00 -0.72 -5.00 105.19 107.34 2rmx n GLY 26 Ca 0.08 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.20 4.02 0.35 1.61 8.01 -1.26 -5.04 118.70 125.19 2rmx s GLU 27 Ca 0.00 -0.22 -0.27 0.00 0.01 0.00 0.00 54.97 54.49 2rmx s GLU 27 Cb 0.00 -3.61 -0.09 0.00 -4.31 0.00 0.00 34.13 26.12 2rmx s GLU 27 CO 0.00 -0.10 1.21 -1.25 0.01 0.00 0.00 175.26 175.13 2rmx s PRO 28 N 1.54 4.29 -0.81 0.39 0.04 -1.26 -3.36 135.00 135.83 2rmx s PRO 28 Ca 0.09 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 2rmx s PRO 28 Cb -0.15 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.46 2rmx s PRO 28 CO 0.08 -0.16 0.44 0.91 0.04 0.00 0.00 177.00 178.31 2rmx n TRP 29 N 0.58 -1.24 -3.24 0.56 5.03 0.16 -4.81 117.44 114.48 2rmx n TRP 29 Ca 0.02 0.38 -0.45 0.00 3.03 0.00 0.00 57.50 60.48 2rmx n TRP 29 Cb 0.44 -3.00 -0.06 0.00 -1.03 0.00 0.00 31.31 27.66 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 -2.98 5.03 0.29 -0.99 2.01 -1.21 -2.42 115.64 115.36 2rmx s THR 30 Ca 0.22 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.24 2rmx s THR 30 Cb -0.10 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 2rmx s THR 30 CO 0.27 -0.82 0.51 0.72 -0.69 0.00 0.00 174.62 174.61 2rmx s PHE 31 N 2.16 3.49 -0.27 4.92 -0.71 -1.00 -1.71 117.98 124.85 2rmx s PHE 31 Ca 0.09 0.45 -0.25 0.00 -1.04 0.00 0.00 56.93 56.17 2rmx s PHE 31 Cb -0.24 -1.95 0.07 0.00 -1.21 0.00 0.00 43.02 39.69 2rmx s PHE 31 CO 0.07 0.20 0.72 -0.48 -1.34 0.00 0.00 175.22 174.40 2rmx s LEU 32 N -3.81 -0.75 -0.06 -1.99 0.05 -0.36 -1.90 118.68 109.86 2rmx s LEU 32 Ca 0.41 1.44 -0.04 0.00 0.05 0.00 0.00 54.13 55.99 2rmx s LEU 32 Cb -0.10 2.46 -0.04 0.00 -2.05 0.00 0.00 46.19 46.46 2rmx s LEU 32 CO 0.32 -0.25 0.14 -0.69 -0.55 0.00 0.00 176.35 175.32 2rmx s VAL 33 N 0.40 5.27 -0.12 1.48 1.01 0.70 -2.51 120.40 126.62 2rmx s VAL 33 Ca -0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.66 2rmx s VAL 33 Cb -0.05 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 33.02 2rmx s VAL 33 CO 0.01 0.46 0.61 0.00 0.00 0.00 0.00 175.10 176.18 2rmx s ARG 34 N -1.49 0.89 1.26 2.72 1.70 -1.16 -0.91 118.95 121.95 2rmx s ARG 34 Ca 0.21 0.44 -0.16 0.00 -0.47 0.00 0.00 55.73 55.75 2rmx s ARG 34 Cb -0.12 0.42 0.32 0.00 -0.57 0.00 0.00 34.95 35.00 2rmx s ARG 34 CO 0.11 -0.22 0.99 -1.21 -1.08 0.00 0.00 175.30 173.90 2rmx s GLU 35 N -0.63 -1.67 0.29 3.89 2.02 -0.91 -2.51 118.70 119.18 2rmx s GLU 35 Ca -0.07 0.57 0.04 0.00 0.02 0.00 0.00 54.97 55.53 2rmx s GLU 35 Cb -0.02 -1.49 0.04 0.00 0.10 0.00 0.00 34.13 32.76 2rmx s GLU 35 CO 0.06 -4.15 0.35 0.43 0.02 0.00 0.00 175.26 171.97 2rmx n SER 36 N -5.18 1.27 0.04 -0.19 7.64 -1.23 -4.61 113.62 111.36 2rmx n SER 36 Ca 0.06 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.12 2rmx n SER 36 Cb 0.56 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 2rmx n SER 36 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2rmx n LEU 37 N 0.00 0.68 0.00 -3.43 4.77 -1.26 -4.88 117.00 112.88 2rmx n LEU 37 Ca 0.06 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2rmx n LEU 37 Cb 0.30 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2rmx n LEU 37 CO 0.19 -0.69 0.12 -0.24 -1.33 0.00 0.00 177.39 175.44 2rmx n SER 38 N -3.21 0.00 -4.63 -1.43 2.88 -1.26 -4.73 113.62 101.24 2rmx n SER 38 Ca 0.00 0.60 -0.43 0.00 -1.33 0.00 0.00 58.87 57.71 2rmx n SER 38 Cb 0.00 -0.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.95 2rmx n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2rmx n GLN 39 N -1.93 2.42 -2.18 -1.46 6.02 -1.26 -4.92 117.38 114.06 2rmx n GLN 39 Ca 0.00 0.79 -0.42 0.00 -0.01 0.00 0.00 57.00 57.36 2rmx n GLN 39 Cb 0.00 -3.12 -0.03 0.00 1.02 0.00 0.00 30.24 28.11 2rmx n GLN 39 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2rmx s PRO 40 N 5.42 4.28 0.00 -1.09 0.04 -1.26 -3.56 135.00 138.82 2rmx s PRO 40 Ca 0.95 2.02 0.00 0.00 0.04 0.00 0.00 61.00 64.01 2rmx s PRO 40 Cb -0.39 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.61 2rmx s PRO 40 CO 0.39 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.26 2rmx n GLY 41 N 3.67 2.04 3.47 0.56 0.00 -1.26 -4.99 105.19 108.69 2rmx n GLY 41 Ca 0.13 -0.29 -0.47 0.00 0.00 0.00 0.00 46.02 45.39 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 2.76 -0.26 -4.88 1.61 8.00 -1.23 -4.83 116.55 117.73 2rmx n ASP 42 Ca 0.00 1.15 -0.22 0.00 0.71 0.00 0.00 54.79 56.43 2rmx n ASP 42 Cb 0.00 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 39.99 2rmx n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2rmx s PHE 43 N -1.00 2.44 -0.02 1.24 0.40 -0.54 -3.53 117.98 116.97 2rmx s PHE 43 Ca 0.62 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 56.40 2rmx s PHE 43 Cb -0.85 -2.11 0.01 0.00 0.51 0.00 0.00 43.02 40.58 2rmx s PHE 43 CO 0.57 -0.21 -0.07 0.08 0.70 0.00 0.00 175.22 176.30 2rmx s VAL 44 N -2.55 0.61 -0.31 -0.44 1.01 -1.04 0.19 120.40 117.87 2rmx s VAL 44 Ca 0.46 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2rmx s VAL 44 Cb -0.02 -0.56 0.06 0.00 0.00 0.00 0.00 36.38 35.85 2rmx s VAL 44 CO 0.27 0.21 0.00 -0.22 0.00 0.00 0.00 175.10 175.36 2rmx s LEU 45 N 0.31 3.98 -0.11 3.92 2.96 0.32 -2.99 118.68 127.07 2rmx s LEU 45 Ca -0.04 -1.38 -0.05 0.00 -0.22 0.00 0.00 54.13 52.45 2rmx s LEU 45 Cb -0.09 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 2rmx s LEU 45 CO 0.00 -0.28 0.07 -0.44 -1.32 0.00 0.00 176.35 174.38 2rmx s SER 46 N 1.27 5.78 -0.00 3.68 0.01 -1.05 -1.93 113.70 121.46 2rmx s SER 46 Ca -0.04 0.28 -0.02 0.00 1.31 0.00 0.00 55.95 57.49 2rmx s SER 46 Cb -0.20 -1.77 -0.00 0.00 0.21 0.00 0.00 66.02 64.25 2rmx s SER 46 CO -0.02 0.38 0.03 -0.69 0.41 0.00 0.00 173.24 173.35 2rmx s VAL 47 N -0.85 0.04 -0.62 3.43 1.01 -1.00 -1.23 120.40 121.19 2rmx s VAL 47 Ca 0.13 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 2rmx s VAL 47 Cb -0.12 -0.17 0.15 0.00 0.00 0.00 0.00 36.38 36.24 2rmx s VAL 47 CO 0.03 -0.19 0.60 -0.22 0.00 0.00 0.00 175.10 175.31 2rmx s LEU 48 N -0.58 6.19 0.65 3.92 2.96 -0.69 -0.80 118.68 130.33 2rmx s LEU 48 Ca -0.06 -1.95 -0.18 0.00 -0.22 0.00 0.00 54.13 51.72 2rmx s LEU 48 Cb -0.04 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2rmx s LEU 48 CO -0.00 -0.84 1.26 -0.94 -1.32 0.00 0.00 176.35 174.51 2rmx s SER 49 N 3.29 4.65 0.00 3.68 1.04 -0.23 0.40 113.70 126.52 2rmx s SER 49 Ca 0.08 2.52 0.18 0.00 0.48 0.00 0.00 55.95 59.21 2rmx s SER 49 Cb -0.24 -2.61 1.09 0.00 0.10 0.00 0.00 66.02 64.35 2rmx s SER 49 CO 0.01 -1.97 1.50 -0.67 0.98 0.00 0.00 173.24 173.08 2rmx n ASP 50 N -2.00 0.00 -4.56 7.02 2.03 -1.26 -3.91 116.55 113.87 2rmx n ASP 50 Ca 0.15 -0.70 -0.42 0.00 0.52 0.00 0.00 54.79 54.34 2rmx n ASP 50 Cb 0.49 0.00 -0.06 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 -2.00 3.58 0.54 -0.67 -0.21 -1.26 -4.98 119.66 114.66 2rmx s GLN 51 Ca 0.27 -0.02 -0.20 0.00 0.02 0.00 0.00 55.36 55.43 2rmx s GLN 51 Cb 0.13 -3.85 -0.06 0.00 1.00 0.00 0.00 33.01 30.23 2rmx s GLN 51 CO 0.21 -0.84 1.13 -1.25 -2.12 0.00 0.00 175.29 172.42 2rmx s PRO 52 N 2.83 3.37 0.15 2.91 0.04 -1.26 -1.60 135.00 141.44 2rmx s PRO 52 Ca 0.25 1.61 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 2rmx s PRO 52 Cb -0.14 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.42 2rmx s PRO 52 CO 0.17 -0.83 1.66 0.87 0.04 0.00 0.00 177.00 178.90 2rmx h LYS 53 N 1.23 -0.11 0.00 4.56 1.57 -1.78 -3.42 116.57 118.61 2rmx h LYS 53 Ca -0.50 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2rmx h LYS 53 Cb 1.26 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2rmx h LYS 53 CO 0.57 -0.08 0.00 0.00 -0.57 0.00 0.00 179.45 179.37 2rmx n ALA 54 N -2.66 3.00 -3.00 3.86 0.00 -1.26 -5.08 120.51 115.37 2rmx n ALA 54 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2rmx n ALA 54 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 3.41 4.31 3.57 0.00 0.00 -1.26 -5.03 105.19 110.20 2rmx n GLY 55 Ca 0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 44.87 2rmx n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rmx n PRO 56 N 0.00 1.61 0.00 1.61 -0.04 -1.26 -2.57 135.00 134.35 2rmx n PRO 56 Ca 0.00 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.99 2rmx n PRO 56 Cb 0.00 -3.72 0.00 0.00 -0.04 0.00 0.00 33.50 29.74 2rmx n PRO 56 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rmx n GLY 57 N 5.76 0.37 3.83 0.55 0.00 -1.26 -5.15 105.19 109.29 2rmx n GLY 57 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 6.45 -0.12 1.61 1.04 -1.06 -4.99 113.70 116.64 2rmx s SER 58 Ca 0.00 1.68 -0.29 0.00 0.48 0.00 0.00 55.95 57.82 2rmx s SER 58 Cb 0.00 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.56 2rmx s SER 58 CO 0.00 -0.70 1.54 -2.16 0.98 0.00 0.00 173.24 172.89 2rmx s PRO 59 N -3.86 4.12 0.42 4.02 0.04 -1.26 -4.48 135.00 134.01 2rmx s PRO 59 Ca 0.61 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 63.44 2rmx s PRO 59 Cb -0.12 -3.93 -0.13 0.00 0.04 0.00 0.00 34.50 30.36 2rmx s PRO 59 CO 0.29 -0.89 -0.09 1.28 0.04 0.00 0.00 177.00 177.63 2rmx n LEU 60 N 7.23 -3.06 -4.77 -3.56 4.77 -1.26 -3.72 117.00 112.63 2rmx n LEU 60 Ca 0.17 0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 56.34 2rmx n LEU 60 Cb 0.44 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.78 2rmx n LEU 60 CO 0.61 -4.03 0.80 -0.60 -1.33 0.00 0.00 177.39 172.84 2rmx s ARG 61 N -0.85 4.09 -0.17 3.23 6.06 -0.63 -4.78 118.95 125.90 2rmx s ARG 61 Ca 0.49 1.73 -0.01 0.00 -2.50 0.00 0.00 55.73 55.44 2rmx s ARG 61 Cb -0.44 -2.64 -0.00 0.00 0.06 0.00 0.00 34.95 31.93 2rmx s ARG 61 CO 0.56 -0.26 -0.12 0.08 -2.50 0.00 0.00 175.30 173.06 2rmx s VAL 62 N -1.48 2.89 -0.31 7.11 1.01 -1.26 -1.07 120.40 127.28 2rmx s VAL 62 Ca 0.57 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 2rmx s VAL 62 Cb -0.28 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2rmx s VAL 62 CO 0.35 0.50 0.36 -0.89 0.00 0.00 0.00 175.10 175.42 2rmx s THR 63 N 0.93 5.17 -0.48 3.92 2.01 0.02 -4.94 115.64 122.29 2rmx s THR 63 Ca -0.02 0.28 -0.16 0.00 0.31 0.00 0.00 61.69 62.09 2rmx s THR 63 Cb -0.15 -3.76 0.07 0.00 0.01 0.00 0.00 72.50 68.67 2rmx s THR 63 CO -0.01 0.02 0.42 -1.00 -0.69 0.00 0.00 174.62 173.36 2rmx s HIS 64 N 2.04 3.22 -0.09 4.92 3.76 -1.26 -2.37 115.29 125.51 2rmx s HIS 64 Ca 0.13 -0.89 -0.02 0.00 -0.15 0.00 0.00 55.06 54.13 2rmx s HIS 64 Cb -0.16 -3.22 -0.03 0.00 1.11 0.00 0.00 32.58 30.28 2rmx s HIS 64 CO 0.11 -0.82 -0.00 0.42 -0.85 0.00 0.00 174.74 173.59 2rmx s ILE 65 N 1.75 4.27 -0.49 0.60 1.01 -0.81 -4.99 121.20 122.53 2rmx s ILE 65 Ca 0.05 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2rmx s ILE 65 Cb -0.24 -2.79 0.08 0.00 0.01 0.00 0.00 42.46 39.51 2rmx s ILE 65 CO 0.07 0.60 0.48 -0.54 0.00 0.00 0.00 174.94 175.55 2rmx s LYS 66 N -0.82 3.02 -0.10 2.79 1.02 -1.26 -0.52 119.74 123.87 2rmx s LYS 66 Ca 0.12 -1.27 -0.30 0.00 0.02 0.00 0.00 55.97 54.54 2rmx s LYS 66 Cb -0.11 -4.15 -0.02 0.00 -0.52 0.00 0.00 37.83 33.03 2rmx s LYS 66 CO 0.02 -1.13 1.11 0.08 -0.92 0.00 0.00 175.35 174.51 2rmx s VAL 67 N 1.93 4.52 0.68 3.17 1.01 0.13 -4.83 120.40 127.01 2rmx s VAL 67 Ca 0.07 1.82 -0.06 0.00 0.00 0.00 0.00 61.98 63.80 2rmx s VAL 67 Cb -0.24 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.03 2rmx s VAL 67 CO 0.08 -0.02 0.99 -0.04 0.00 0.00 0.00 175.10 176.10 2rmx s MET 68 N 2.26 2.30 -0.03 2.72 -1.94 -0.77 -1.47 119.30 122.37 2rmx s MET 68 Ca 0.52 -0.26 -0.01 0.00 -1.71 0.00 0.00 55.69 54.23 2rmx s MET 68 Cb -0.21 -2.20 0.03 0.00 2.01 0.00 0.00 34.83 34.46 2rmx s MET 68 CO 0.19 -1.15 0.04 0.00 -0.01 0.00 0.00 175.02 174.09 2rmx s GLU 70 N 1.62 1.67 -1.26 0.00 2.02 0.84 -4.83 118.70 118.78 2rmx s GLU 70 Ca -0.02 -2.26 -0.04 0.00 0.02 0.00 0.00 54.97 52.68 2rmx s GLU 70 Cb -0.13 -3.06 -0.01 0.00 0.10 0.00 0.00 34.13 31.04 2rmx s GLU 70 CO -0.03 -1.07 0.73 0.41 0.02 0.00 0.00 175.26 175.32 2rmx n GLY 71 N 3.55 -0.49 1.18 -1.39 0.00 -1.26 -1.97 105.19 104.82 2rmx n GLY 71 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.57 2.52 3.77 -0.02 0.00 -1.26 -5.02 105.19 103.61 2rmx n GLY 72 Ca -0.25 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 2.34 0.03 1.61 0.52 -0.83 -4.70 118.95 117.92 2rmx s ARG 73 Ca 0.00 1.14 0.06 0.00 -0.52 0.00 0.00 55.73 56.41 2rmx s ARG 73 Cb 0.00 -1.91 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 2rmx s ARG 73 CO 0.00 -1.58 -0.16 0.71 0.02 0.00 0.00 175.30 174.29 2rmx s TYR 74 N -2.92 1.42 0.04 -0.53 2.02 -0.90 -0.11 117.35 116.37 2rmx s TYR 74 Ca 0.61 -0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 56.81 2rmx s TYR 74 Cb -0.17 -0.86 0.03 0.00 -0.40 0.00 0.00 41.96 40.56 2rmx s TYR 74 CO 0.56 0.04 0.34 -0.08 -1.57 0.00 0.00 175.55 174.84 2rmx s THR 75 N -0.75 0.07 -0.63 -0.71 -1.32 -1.17 -1.56 115.64 109.59 2rmx s THR 75 Ca 0.04 -0.59 0.03 0.00 -1.21 0.00 0.00 61.69 59.97 2rmx s THR 75 Cb -0.08 -0.91 0.15 0.00 -1.51 0.00 0.00 72.50 70.15 2rmx s THR 75 CO 0.01 -0.32 0.40 0.68 -2.21 0.00 0.00 174.62 173.18 2rmx s VAL 76 N -2.41 2.93 0.00 5.08 -7.23 -1.26 -1.84 120.40 115.67 2rmx s VAL 76 Ca -0.06 -3.72 0.00 0.00 -1.81 0.00 0.00 61.98 56.39 2rmx s VAL 76 Cb -0.01 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2rmx s VAL 76 CO -0.02 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.47 2rmx n GLY 77 N 2.63 1.83 3.29 2.32 0.00 -1.26 -4.92 105.19 109.07 2rmx n GLY 77 Ca 0.12 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.82 0.20 -0.02 0.00 -1.26 -4.91 105.19 96.38 2rmx n GLY 78 Ca 0.00 -1.23 0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.90 0.00 -9.16 0.99 3.38 -2.00 -3.47 115.31 102.15 2rmx h LEU 79 Ca -0.49 -0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.08 2rmx h LEU 79 Cb 1.27 0.00 0.21 0.00 0.09 0.00 0.00 40.66 42.23 2rmx h LEU 79 CO 0.35 0.00 -1.59 -0.62 0.09 0.00 0.00 178.44 176.68 2rmx n GLU 80 N -3.00 -0.90 -3.55 1.13 1.02 -1.26 -5.03 120.64 109.04 2rmx n GLU 80 Ca 0.03 -0.26 -0.11 0.00 -0.02 0.00 0.00 57.16 56.81 2rmx n GLU 80 Cb 0.53 -1.31 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 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 -2.09 0.03 -0.01 2.62 -4.23 -1.26 -4.56 115.64 106.14 2rmx s THR 81 Ca 0.40 -0.35 -0.06 0.00 -1.18 0.00 0.00 61.69 60.50 2rmx s THR 81 Cb -0.00 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.67 2rmx s THR 81 CO 0.56 -0.14 0.13 -0.36 -0.54 0.00 0.00 174.62 174.27 2rmx s PHE 82 N -3.79 0.00 0.22 3.99 0.40 -0.60 -4.92 117.98 113.28 2rmx s PHE 82 Ca 0.03 -0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.20 2rmx s PHE 82 Cb -0.00 -0.03 0.26 0.00 0.51 0.00 0.00 43.02 43.76 2rmx s PHE 82 CO -0.11 -0.22 1.60 0.22 0.70 0.00 0.00 175.22 177.41 2rmx h ASP 83 N 4.74 -0.80 -2.55 1.36 3.58 -1.91 -2.40 116.42 118.44 2rmx h ASP 83 Ca -0.29 0.22 0.05 0.00 0.42 0.00 0.00 57.03 57.43 2rmx h ASP 83 Cb 1.20 0.49 -0.01 0.00 1.72 0.00 0.00 39.33 42.73 2rmx h ASP 83 CO 0.41 -0.26 0.37 -1.20 -2.88 0.00 0.00 179.24 175.68 2rmx n SER 84 N -5.48 -1.81 -0.34 2.28 7.64 -1.26 -4.47 113.62 110.19 2rmx n SER 84 Ca 0.09 -2.14 0.26 0.00 1.01 0.00 0.00 58.87 58.09 2rmx n SER 84 Cb 0.37 2.98 0.54 0.00 -1.01 0.00 0.00 64.21 67.09 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 0.39 0.31 -3.43 -0.00 -1.93 0.23 115.31 110.88 2rmx h LEU 85 Ca -0.27 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.68 2rmx h LEU 85 Cb 1.07 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2rmx h LEU 85 CO 0.35 0.04 -0.15 0.74 -0.00 0.00 0.00 178.44 179.42 2rmx h THR 86 N 0.32 0.72 -0.59 0.22 2.02 -1.98 0.38 112.91 114.01 2rmx h THR 86 Ca 0.63 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 67.45 2rmx h THR 86 Cb 1.71 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 2rmx h THR 86 CO -0.31 0.06 0.08 -0.78 0.37 0.00 0.00 175.52 174.95 2rmx h ASP 87 N -0.57 0.91 0.42 4.18 3.58 -1.44 -1.10 116.42 122.39 2rmx h ASP 87 Ca -0.04 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.18 2rmx h ASP 87 Cb 0.42 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2rmx h ASP 87 CO 0.07 0.92 -0.20 0.25 -2.88 0.00 0.00 179.24 177.40 2rmx h LEU 88 N 0.90 -0.47 -0.12 2.28 6.46 -0.55 -2.69 115.31 121.12 2rmx h LEU 88 Ca 0.18 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.00 2rmx h LEU 88 Cb 0.41 0.12 -0.06 0.00 -0.73 0.00 0.00 40.66 40.40 2rmx h LEU 88 CO 0.01 -0.20 -0.40 0.58 -0.62 0.00 0.00 178.44 177.81 2rmx h VAL 89 N -0.84 0.17 -0.55 1.05 2.07 -0.29 -1.83 116.25 116.03 2rmx h VAL 89 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.52 2rmx h VAL 89 Cb 0.43 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.28 2rmx h VAL 89 CO 0.09 0.00 -0.54 -0.33 0.02 0.00 0.00 177.57 176.81 2rmx h GLU 90 N -0.48 -0.26 -0.05 1.57 5.08 -1.31 1.19 114.58 120.32 2rmx h GLU 90 Ca 0.08 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2rmx h GLU 90 Cb 0.61 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2rmx h GLU 90 CO -0.38 -0.18 0.31 1.25 -1.00 0.00 0.00 179.01 179.01 2rmx h HIS 91 N -0.27 0.00 0.00 4.33 2.76 -1.11 0.56 115.15 121.41 2rmx h HIS 91 Ca 0.09 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2rmx h HIS 91 Cb 0.52 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.48 2rmx h HIS 91 CO -0.81 0.00 -1.35 1.19 -1.30 0.00 0.00 177.93 175.66 2rmx n PHE 92 N -3.03 0.65 0.47 5.26 3.72 0.35 -3.04 117.46 121.84 2rmx n PHE 92 Ca -0.01 0.19 0.13 0.00 -0.05 0.00 0.00 57.45 57.71 2rmx n PHE 92 Cb 0.37 -0.81 0.46 0.00 -0.94 0.00 0.00 39.48 38.56 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 0.55 0.39 116.57 118.00 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 1.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 2rmx h LYS 93 CO 0.00 0.00 -1.97 0.36 -0.57 0.00 0.00 179.45 177.27 2rmx n LYS 94 N -2.33 0.84 -0.06 3.15 2.85 -1.13 -4.66 118.16 116.81 2rmx n LYS 94 Ca 0.03 0.07 -0.05 0.00 -1.05 0.00 0.00 58.31 57.32 2rmx n LYS 94 Cb 0.32 -1.35 -0.02 0.00 -0.65 0.00 0.00 35.03 33.34 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 -2.86 1.23 0.00 0.58 -2.24 -1.17 -5.12 114.28 104.70 2rmx n THR 95 Ca -0.28 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2rmx n THR 95 Cb 0.86 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.83 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 1.61 1.89 3.25 3.38 0.00 0.13 -5.05 105.19 110.40 2rmx n GLY 96 Ca -0.07 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.80 1.94 -0.08 -0.61 1.01 -0.88 -4.90 121.20 115.89 2rmx s ILE 97 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 2rmx s ILE 97 Cb 0.00 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 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 -0.20 3.07 0.11 2.79 2.12 -1.26 -0.43 118.70 124.89 2rmx s GLU 98 Ca -0.01 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 54.99 2rmx s GLU 98 Cb -0.13 -2.87 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 2rmx s GLU 98 CO 0.03 0.71 0.07 -1.21 -0.54 0.00 0.00 175.26 174.31 2rmx s GLU 99 N -1.02 2.77 0.11 4.30 2.02 0.12 -4.98 118.70 122.03 2rmx s GLU 99 Ca 0.15 -0.79 -0.33 0.00 0.02 0.00 0.00 54.97 54.01 2rmx s GLU 99 Cb -0.12 -2.64 -0.12 0.00 0.10 0.00 0.00 34.13 31.36 2rmx s GLU 99 CO 0.04 0.53 1.57 0.00 0.02 0.00 0.00 175.26 177.42 2rmx h ALA 100 N 3.08 -0.87 -0.90 5.21 0.00 -2.00 -2.03 119.26 121.76 2rmx h ALA 100 Ca -0.47 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 54.55 2rmx h ALA 100 Cb 1.17 0.86 -0.17 0.00 0.00 0.00 0.00 17.79 19.65 2rmx h ALA 100 CO 0.63 -1.06 -0.16 0.77 0.00 0.00 0.00 179.25 179.43 2rmx h SER 101 N -0.67 -0.73 0.00 0.00 0.02 -2.06 -3.44 113.55 106.67 2rmx h SER 101 Ca 0.02 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2rmx h SER 101 Cb 0.72 0.52 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2rmx h SER 101 CO -0.32 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 175.69 2rmx n GLY 102 N -1.55 0.22 3.75 -3.77 0.00 -0.76 -5.16 105.19 97.92 2rmx n GLY 102 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.22 3.46 -0.25 4.61 0.00 -1.24 -4.91 121.76 123.21 2rmx s ALA 103 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.80 2rmx s ALA 103 Cb 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 23.12 21.89 2rmx s ALA 103 CO 0.00 0.60 -0.05 -0.06 0.00 0.00 0.00 175.76 176.25 2rmx s PHE 104 N -1.58 2.55 0.05 0.00 0.08 -1.26 0.13 117.98 117.95 2rmx s PHE 104 Ca 0.29 -1.90 -0.28 0.00 0.12 0.00 0.00 56.93 55.16 2rmx s PHE 104 Cb -0.11 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.58 2rmx s PHE 104 CO 0.21 -0.80 0.90 0.08 -0.10 0.00 0.00 175.22 175.51 2rmx s VAL 105 N 1.34 4.69 -0.11 -0.44 1.01 0.42 -4.92 120.40 122.40 2rmx s VAL 105 Ca -0.04 1.92 0.03 0.00 0.00 0.00 0.00 61.98 63.89 2rmx s VAL 105 Cb -0.19 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 31.94 2rmx s VAL 105 CO -0.07 0.28 -0.22 -0.31 0.00 0.00 0.00 175.10 174.78 2rmx s TYR 106 N 0.31 2.61 -0.94 5.22 2.02 -1.26 -2.07 117.35 123.23 2rmx s TYR 106 Ca 0.46 -1.02 -0.03 0.00 -0.37 0.00 0.00 57.07 56.11 2rmx s TYR 106 Cb -0.22 -1.74 0.23 0.00 -0.40 0.00 0.00 41.96 39.84 2rmx s TYR 106 CO 0.27 -0.41 0.86 -0.51 -1.57 0.00 0.00 175.55 174.19 2rmx s LEU 107 N 0.39 5.72 -0.14 -1.29 1.02 -1.26 -4.20 118.68 118.92 2rmx s LEU 107 Ca -0.17 -3.71 -0.25 0.00 0.02 0.00 0.00 54.13 50.02 2rmx s LEU 107 Cb -0.17 -1.97 -0.25 0.00 0.02 0.00 0.00 46.19 43.81 2rmx s LEU 107 CO 0.07 -0.20 0.64 0.03 0.02 0.00 0.00 176.35 176.92 2rmx h ARG 108 N 6.13 0.07 -4.83 1.70 3.08 -1.76 -3.41 114.38 115.37 2rmx h ARG 108 Ca 0.17 -0.12 -0.42 0.00 0.07 0.00 0.00 59.98 59.68 2rmx h ARG 108 Cb 0.82 0.05 -0.29 0.00 0.08 0.00 0.00 29.97 30.63 2rmx h ARG 108 CO 0.89 1.06 -0.79 1.14 -1.07 0.00 0.00 179.97 181.20 2rmx s GLN 109 N -2.31 0.84 0.00 0.04 0.00 -1.14 -5.07 119.66 112.01 2rmx s GLN 109 Ca -0.20 -0.36 0.00 0.00 -0.00 0.00 0.00 55.36 54.80 2rmx s GLN 109 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 33.01 32.21 2rmx s GLN 109 CO 0.70 0.21 0.00 -0.35 0.00 0.00 0.00 175.29 175.84 2rmx n PRO 110 N 2.88 0.21 -3.59 9.60 -0.04 -1.26 -2.39 135.00 140.42 2rmx n PRO 110 Ca -0.14 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 2rmx n PRO 110 Cb 0.56 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.86 2rmx n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2rmx s TYR 111 N -0.39 0.15 -0.21 0.54 5.04 -0.80 -4.48 117.35 117.20 2rmx s TYR 111 Ca 0.00 -0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 54.25 2rmx s TYR 111 Cb 0.00 -0.67 -0.04 0.00 0.35 0.00 0.00 41.96 41.60 2rmx s TYR 111 CO 0.00 -0.55 0.10 0.71 -1.34 0.00 0.00 175.55 174.48 2rmx s TYR 112 N 2.16 3.26 0.09 4.97 1.51 -1.26 -4.82 117.35 123.26 2rmx s TYR 112 Ca 0.03 0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 55.88 2rmx s TYR 112 Cb -0.16 -2.17 -0.14 0.00 -0.11 0.00 0.00 41.96 39.37 2rmx s TYR 112 CO -0.12 0.07 1.64 0.66 -1.11 0.00 0.00 175.55 176.69 2rmx h SER 113 N 7.19 -0.71 -6.49 2.29 4.64 -1.99 -3.47 113.55 115.01 2rmx h SER 113 Ca -0.38 0.05 -0.43 0.00 -0.47 0.00 0.00 61.79 60.57 2rmx h SER 113 Cb 1.17 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2rmx h SER 113 CO 0.67 -0.42 -0.99 0.61 -0.87 0.00 0.00 176.83 175.84 2rmx n GLY 114 N -1.40 -1.00 0.08 -0.77 0.00 -1.26 -4.79 105.19 96.04 2rmx n GLY 114 Ca -0.10 0.59 0.10 0.00 0.00 0.00 0.00 46.02 46.60 2rmx n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rmx n PRO 115 N -2.13 0.11 -4.60 1.61 -0.04 -1.26 -4.69 135.00 124.01 2rmx n PRO 115 Ca -0.26 0.36 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 2rmx n PRO 115 Cb 0.61 -1.71 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 2rmx n PRO 115 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2rmx s SER 116 N -3.71 4.33 -0.04 3.54 1.04 -1.26 -5.12 113.70 112.48 2rmx s SER 116 Ca 0.05 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.29 2rmx s SER 116 Cb 0.09 -0.94 0.01 0.00 0.10 0.00 0.00 66.02 65.29 2rmx s SER 116 CO 0.33 0.29 -0.06 -0.55 0.98 0.00 0.00 173.24 174.23 2rmx s SER 117 N -1.25 1.05 0.00 7.02 0.15 -1.26 -5.19 113.70 114.22 2rmx s SER 117 Ca 0.15 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.65 2rmx s SER 117 Cb -0.11 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 2rmx s SER 117 CO 0.05 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.10