#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 2.97 -0.67 1.61 0.15 -1.26 -5.05 113.70 111.45 2rmx s SER 2 Ca 0.00 -0.59 -0.26 0.00 0.70 0.00 0.00 55.95 55.81 2rmx s SER 2 Cb 0.00 -1.37 -0.13 0.00 -1.71 0.00 0.00 66.02 62.81 2rmx s SER 2 CO 0.00 -0.00 2.44 -1.20 1.20 0.00 0.00 173.24 175.68 2rmx n SER 3 N 4.56 1.65 0.00 5.45 7.64 -1.26 -4.47 113.62 127.19 2rmx n SER 3 Ca -0.20 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.04 2rmx n SER 3 Cb 0.50 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 2rmx n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rmx n GLY 4 N 6.24 0.35 3.67 0.23 0.00 -1.26 -5.01 105.19 109.40 2rmx n GLY 4 Ca 0.46 -1.81 -0.46 0.00 0.00 0.00 0.00 46.02 44.20 2rmx n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rmx n SER 5 N 0.00 3.03 -4.85 1.61 2.88 -1.26 -4.96 113.62 110.07 2rmx n SER 5 Ca 0.00 1.08 -0.32 0.00 -1.33 0.00 0.00 58.87 58.31 2rmx n SER 5 Cb 0.00 -1.41 -0.01 0.00 -0.75 0.00 0.00 64.21 62.04 2rmx n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rmx s SER 6 N 0.97 6.28 0.00 -3.46 0.15 -1.26 -4.87 113.70 111.51 2rmx s SER 6 Ca 0.79 1.54 0.00 0.00 0.70 0.00 0.00 55.95 58.98 2rmx s SER 6 Cb -0.69 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.12 2rmx s SER 6 CO 0.39 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.61 2rmx n GLY 7 N -2.03 5.49 1.58 9.45 0.00 -1.26 -5.03 105.19 113.39 2rmx n GLY 7 Ca 0.07 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 1.87 -3.58 1.61 -0.00 -1.26 -4.85 117.44 111.23 2rmx n TRP 8 Ca 0.00 -1.61 -0.40 0.00 -0.00 0.00 0.00 57.50 55.49 2rmx n TRP 8 Cb 0.00 -0.65 -0.11 0.00 -0.00 0.00 0.00 31.31 30.55 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 -3.22 3.22 -0.16 -2.67 5.04 -1.26 -1.00 117.35 117.30 2rmx s TYR 9 Ca 0.50 -0.58 -0.13 0.00 -2.44 0.00 0.00 57.07 54.41 2rmx s TYR 9 Cb 0.43 -2.45 -0.09 0.00 0.35 0.00 0.00 41.96 40.21 2rmx s TYR 9 CO 0.05 -0.50 -0.01 0.45 -1.34 0.00 0.00 175.55 174.20 2rmx h HIS 10 N 8.45 0.00 0.00 4.97 3.86 -1.65 -3.48 115.15 127.31 2rmx h HIS 10 Ca -0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2rmx h HIS 10 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 2rmx h HIS 10 CO 0.61 0.52 0.00 0.41 0.86 0.00 0.00 177.93 180.34 2rmx n GLY 11 N 1.57 0.97 3.69 2.45 0.00 -1.26 -4.97 105.19 107.64 2rmx n GLY 11 Ca -0.15 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 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 3.36 -0.29 1.61 3.76 -1.26 -2.91 115.29 119.56 2rmx s HIS 12 Ca 0.00 1.39 -0.24 0.00 -0.15 0.00 0.00 55.06 56.06 2rmx s HIS 12 Cb 0.00 -3.32 0.17 0.00 1.11 0.00 0.00 32.58 30.54 2rmx s HIS 12 CO 0.00 -0.83 1.26 1.41 -0.85 0.00 0.00 174.74 175.73 2rmx s MET 13 N 1.95 0.24 0.26 1.40 0.00 -1.26 -5.07 119.30 116.81 2rmx s MET 13 Ca 0.53 0.30 -0.30 0.00 0.00 0.00 0.00 55.69 56.22 2rmx s MET 13 Cb -0.23 0.11 -0.09 0.00 0.00 0.00 0.00 34.83 34.62 2rmx s MET 13 CO 0.22 -0.03 1.06 0.45 0.00 0.00 0.00 175.02 176.71 2rmx s SER 14 N 0.26 7.37 0.16 1.11 0.15 -1.26 -4.87 113.70 116.62 2rmx s SER 14 Ca 0.04 2.16 -0.28 0.00 0.70 0.00 0.00 55.95 58.57 2rmx s SER 14 Cb -0.05 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 2rmx s SER 14 CO -0.12 -0.07 1.56 1.23 1.20 0.00 0.00 173.24 177.04 2rmx h GLY 15 N 4.07 -0.66 1.12 9.45 0.00 -2.00 0.46 103.07 115.51 2rmx h GLY 15 Ca -0.46 0.65 0.12 0.00 0.00 0.00 0.00 47.33 47.64 2rmx h GLY 15 CO 0.68 -0.11 0.33 -1.33 0.00 0.00 0.00 176.54 176.11 2rmx h GLY 16 N -0.22 0.00 0.53 4.60 0.00 -2.02 -2.81 103.07 103.15 2rmx h GLY 16 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2rmx h GLY 16 CO -0.73 0.00 -0.25 -1.61 0.00 0.00 0.00 176.54 173.95 2rmx h GLN 17 N 0.00 -0.69 -0.80 4.80 4.15 -0.45 -3.15 115.11 118.98 2rmx h GLN 17 Ca 0.19 0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.80 2rmx h GLN 17 Cb 0.84 0.16 -0.14 0.00 0.21 0.00 0.00 27.48 28.55 2rmx h GLN 17 CO -0.00 -0.46 -0.25 0.00 -1.93 0.00 0.00 178.83 176.19 2rmx n ALA 18 N -2.39 0.07 -0.26 3.38 0.00 -1.03 0.11 120.51 120.39 2rmx n ALA 18 Ca -0.09 0.84 0.04 0.00 0.00 0.00 0.00 53.44 54.23 2rmx n ALA 18 Cb 0.28 -0.46 0.13 0.00 0.00 0.00 0.00 19.45 19.41 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 0.05 0.36 0.00 5.08 -1.57 0.59 114.58 119.10 2rmx h GLU 19 Ca 0.34 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2rmx h GLU 19 Cb 0.54 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2rmx h GLU 19 CO -0.81 0.03 -0.17 1.15 -1.00 0.00 0.00 179.01 178.21 2rmx h THR 20 N 0.05 0.00 -0.96 1.13 2.02 0.85 0.20 112.91 116.21 2rmx h THR 20 Ca 0.39 -0.02 0.30 0.00 0.77 0.00 0.00 66.41 67.85 2rmx h THR 20 Cb 0.66 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.90 2rmx h THR 20 CO -0.72 0.00 0.23 -0.07 0.37 0.00 0.00 175.52 175.33 2rmx h LEU 21 N -0.51 -0.12 0.64 2.58 4.07 -1.06 0.40 115.31 121.32 2rmx h LEU 21 Ca -0.05 0.25 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 2rmx h LEU 21 Cb 0.37 0.36 0.01 0.00 1.08 0.00 0.00 40.66 42.48 2rmx h LEU 21 CO 0.08 -0.31 -0.31 -0.07 -1.08 0.00 0.00 178.44 176.75 2rmx h LEU 22 N 0.08 -0.73 -0.01 1.67 3.38 -0.79 -3.04 115.31 115.86 2rmx h LEU 22 Ca 0.65 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.67 2rmx h LEU 22 Cb 1.45 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 42.33 2rmx h LEU 22 CO -0.80 -0.34 -0.50 1.56 0.09 0.00 0.00 178.44 178.45 2rmx h GLN 23 N -1.23 -0.62 -1.07 1.13 4.20 0.88 -0.60 115.11 117.80 2rmx h GLN 23 Ca -0.09 0.04 0.42 0.00 0.06 0.00 0.00 58.65 59.08 2rmx h GLN 23 Cb 0.66 0.14 -0.17 0.00 0.30 0.00 0.00 27.48 28.41 2rmx h GLN 23 CO 0.15 -0.41 0.61 0.00 -0.67 0.00 0.00 178.83 178.50 2rmx h ALA 24 N -0.28 2.28 -0.56 3.87 0.00 -0.37 1.01 119.26 125.21 2rmx h ALA 24 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2rmx h ALA 24 Cb 0.70 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2rmx h ALA 24 CO -0.35 -1.03 0.32 -0.22 0.00 0.00 0.00 179.25 177.97 2rmx h LYS 25 N 0.03 0.77 0.00 0.00 1.63 -0.98 -3.46 116.57 114.56 2rmx h LYS 25 Ca 0.84 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 60.56 2rmx h LYS 25 Cb 2.30 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.78 2rmx h LYS 25 CO -0.69 0.57 0.00 0.41 -3.45 0.00 0.00 179.45 176.29 2rmx n GLY 26 N -1.09 0.47 3.63 5.01 0.00 0.35 -4.98 105.19 108.58 2rmx n GLY 26 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2rmx n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rmx s GLU 27 N -0.50 4.12 0.40 1.61 2.02 -1.26 -4.99 118.70 120.09 2rmx s GLU 27 Ca 0.00 0.53 -0.25 0.00 0.02 0.00 0.00 54.97 55.27 2rmx s GLU 27 Cb 0.00 -3.64 -0.08 0.00 0.10 0.00 0.00 34.13 30.50 2rmx s GLU 27 CO 0.00 -0.39 1.19 -1.25 0.02 0.00 0.00 175.26 174.83 2rmx s PRO 28 N 2.42 4.05 -1.00 0.39 0.04 -1.26 -3.25 135.00 136.38 2rmx s PRO 28 Ca 0.26 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2rmx s PRO 28 Cb -0.16 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.69 2rmx s PRO 28 CO 0.09 -0.33 0.09 0.91 0.04 0.00 0.00 177.00 177.79 2rmx n TRP 29 N 0.10 -0.71 -3.01 0.56 5.03 0.93 -4.82 117.44 115.52 2rmx n TRP 29 Ca 0.04 0.08 -0.44 0.00 3.03 0.00 0.00 57.50 60.20 2rmx n TRP 29 Cb 0.46 -2.80 -0.04 0.00 -1.03 0.00 0.00 31.31 27.90 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 -2.68 4.72 0.41 -0.99 2.01 -1.20 -2.26 115.64 115.65 2rmx s THR 30 Ca 0.04 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 2rmx s THR 30 Cb -0.02 -4.61 -0.04 0.00 0.01 0.00 0.00 72.50 67.84 2rmx s THR 30 CO 0.05 -1.30 0.68 0.72 -0.69 0.00 0.00 174.62 174.08 2rmx s PHE 31 N 2.88 3.53 -0.28 4.92 -0.71 -1.12 -1.79 117.98 125.41 2rmx s PHE 31 Ca 0.20 0.66 -0.15 0.00 -1.04 0.00 0.00 56.93 56.59 2rmx s PHE 31 Cb -0.16 -2.15 0.10 0.00 -1.21 0.00 0.00 43.02 39.59 2rmx s PHE 31 CO 0.02 -0.08 0.74 -0.48 -1.34 0.00 0.00 175.22 174.08 2rmx s LEU 32 N -4.41 -0.89 0.18 -1.99 0.05 0.79 -2.25 118.68 110.16 2rmx s LEU 32 Ca 0.45 1.38 -0.14 0.00 0.05 0.00 0.00 54.13 55.87 2rmx s LEU 32 Cb -0.10 2.24 -0.07 0.00 -2.05 0.00 0.00 46.19 46.21 2rmx s LEU 32 CO 0.39 -0.21 0.58 -0.69 -0.55 0.00 0.00 176.35 175.87 2rmx s VAL 33 N 1.77 4.83 -0.30 1.48 1.01 -0.17 -1.98 120.40 127.04 2rmx s VAL 33 Ca -0.09 0.82 -0.12 0.00 0.00 0.00 0.00 61.98 62.60 2rmx s VAL 33 Cb -0.06 -3.72 0.14 0.00 0.00 0.00 0.00 36.38 32.74 2rmx s VAL 33 CO -0.19 0.17 0.74 0.00 0.00 0.00 0.00 175.10 175.82 2rmx s ARG 34 N -2.15 0.52 0.71 2.72 1.70 -1.14 -1.56 118.95 119.75 2rmx s ARG 34 Ca 0.41 1.25 -0.17 0.00 -0.47 0.00 0.00 55.73 56.75 2rmx s ARG 34 Cb -0.14 0.70 -0.08 0.00 -0.57 0.00 0.00 34.95 34.86 2rmx s ARG 34 CO 0.20 -0.17 0.15 -1.91 -1.08 0.00 0.00 175.30 172.49 2rmx n GLU 35 N 5.22 0.17 -0.15 3.89 0.00 -1.14 -3.42 120.64 125.20 2rmx n GLU 35 Ca -0.12 0.08 -0.21 0.00 0.00 0.00 0.00 57.16 56.91 2rmx n GLU 35 Cb 0.51 -1.49 0.20 0.00 0.00 0.00 0.00 31.44 30.66 2rmx n GLU 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2rmx n SER 36 N 1.01 -3.49 -0.05 4.31 2.88 -1.20 -4.76 113.62 112.32 2rmx n SER 36 Ca 0.08 -0.59 -0.08 0.00 -1.33 0.00 0.00 58.87 56.95 2rmx n SER 36 Cb 0.50 -0.68 -0.04 0.00 -0.75 0.00 0.00 64.21 63.25 2rmx n SER 36 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2rmx n LEU 37 N 0.00 2.13 -0.00 2.46 4.77 -1.26 -4.81 117.00 120.29 2rmx n LEU 37 Ca 0.09 0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2rmx n LEU 37 Cb 0.41 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2rmx n LEU 37 CO 0.27 0.48 -0.51 -1.54 -1.33 0.00 0.00 177.39 174.76 2rmx n SER 38 N -3.00 3.47 -4.52 -1.43 3.41 -1.26 -4.94 113.62 105.34 2rmx n SER 38 Ca -0.17 -0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 57.95 2rmx n SER 38 Cb 0.65 1.22 -0.06 0.00 -0.26 0.00 0.00 64.21 65.77 2rmx n SER 38 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2rmx s GLN 39 N -2.28 3.32 -0.33 4.33 2.00 -1.26 -5.01 119.66 120.43 2rmx s GLN 39 Ca -0.02 -0.31 -0.29 0.00 -2.00 0.00 0.00 55.36 52.75 2rmx s GLN 39 Cb 0.03 -3.99 -0.01 0.00 0.80 0.00 0.00 33.01 29.84 2rmx s GLN 39 CO 0.22 -1.19 1.69 -1.25 -0.50 0.00 0.00 175.29 174.25 2rmx s PRO 40 N 3.25 3.46 0.00 1.67 0.04 -1.26 -3.50 135.00 138.65 2rmx s PRO 40 Ca 0.26 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.66 2rmx s PRO 40 Cb -0.14 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2rmx s PRO 40 CO 0.20 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.94 2rmx n GLY 41 N 5.25 2.90 3.10 0.56 0.00 -1.26 -5.05 105.19 110.67 2rmx n GLY 41 Ca 0.21 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 2rmx n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2rmx n ASP 42 N 1.85 -3.92 -3.28 1.61 -0.08 -1.23 -4.85 116.55 106.66 2rmx n ASP 42 Ca 0.00 0.09 -0.20 0.00 -1.51 0.00 0.00 54.79 53.18 2rmx n ASP 42 Cb 0.00 -0.76 -0.06 0.00 2.34 0.00 0.00 41.12 42.64 2rmx n ASP 42 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2rmx n PHE 43 N -3.28 -0.25 -3.67 -0.67 3.01 -0.75 -3.26 117.46 108.59 2rmx n PHE 43 Ca -0.00 -2.36 -0.15 0.00 1.01 0.00 0.00 57.45 55.95 2rmx n PHE 43 Cb 0.64 0.11 -0.08 0.00 -0.01 0.00 0.00 39.48 40.14 2rmx n PHE 43 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2rmx s VAL 44 N -3.02 0.03 -0.32 -4.37 1.01 -1.22 -1.45 120.40 111.05 2rmx s VAL 44 Ca 0.26 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2rmx s VAL 44 Cb 0.01 -0.76 0.10 0.00 0.00 0.00 0.00 36.38 35.73 2rmx s VAL 44 CO 0.18 -0.13 0.09 -0.22 0.00 0.00 0.00 175.10 175.02 2rmx s LEU 45 N -1.04 3.12 -0.04 3.92 2.96 -0.54 -2.86 118.68 124.20 2rmx s LEU 45 Ca -0.11 -1.85 -0.19 0.00 -0.22 0.00 0.00 54.13 51.77 2rmx s LEU 45 Cb -0.03 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 2rmx s LEU 45 CO 0.06 -0.40 0.54 -0.44 -1.32 0.00 0.00 176.35 174.79 2rmx s SER 46 N 1.34 6.86 0.01 3.68 0.01 -0.84 -2.80 113.70 121.96 2rmx s SER 46 Ca 0.10 1.03 0.02 0.00 1.31 0.00 0.00 55.95 58.42 2rmx s SER 46 Cb -0.18 -2.33 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 2rmx s SER 46 CO -0.19 0.08 -0.07 -0.69 0.41 0.00 0.00 173.24 172.78 2rmx s VAL 47 N 0.02 0.57 -0.67 3.43 1.01 -0.67 -0.15 120.40 123.94 2rmx s VAL 47 Ca 0.29 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 2rmx s VAL 47 Cb -0.17 -0.51 0.14 0.00 0.00 0.00 0.00 36.38 35.84 2rmx s VAL 47 CO 0.15 0.04 0.70 -0.22 0.00 0.00 0.00 175.10 175.76 2rmx s LEU 48 N -0.49 5.96 0.82 3.92 2.96 -0.74 -0.17 118.68 130.93 2rmx s LEU 48 Ca 0.00 -1.92 -0.14 0.00 -0.22 0.00 0.00 54.13 51.84 2rmx s LEU 48 Cb -0.04 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.40 2rmx s LEU 48 CO -0.00 -0.89 0.64 -1.54 -1.32 0.00 0.00 176.35 173.24 2rmx n SER 49 N 5.41 -0.97 0.00 3.68 3.41 -0.18 -0.05 113.62 124.93 2rmx n SER 49 Ca -0.02 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 2rmx n SER 49 Cb 0.43 -1.28 0.75 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.31 0.00 -4.68 4.04 2.03 -1.26 -4.16 116.55 111.21 2rmx n ASP 50 Ca 0.10 -1.08 -0.37 0.00 0.52 0.00 0.00 54.79 53.95 2rmx n ASP 50 Cb 0.51 0.00 -0.08 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 -2.00 4.13 0.74 -0.67 1.11 -1.26 -5.00 119.66 116.71 2rmx s GLN 51 Ca 0.38 -0.08 -0.12 0.00 0.01 0.00 0.00 55.36 55.55 2rmx s GLN 51 Cb 0.17 -3.52 0.04 0.00 -1.01 0.00 0.00 33.01 28.70 2rmx s GLN 51 CO 0.29 0.07 1.10 -1.25 0.01 0.00 0.00 175.29 175.51 2rmx s PRO 52 N 1.02 2.40 0.10 2.91 0.04 -1.26 -1.26 135.00 138.95 2rmx s PRO 52 Ca 0.12 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 2rmx s PRO 52 Cb -0.14 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2rmx s PRO 52 CO 0.05 -1.54 1.70 0.87 0.04 0.00 0.00 177.00 178.12 2rmx h LYS 53 N -0.81 0.22 0.00 4.56 1.57 -1.77 -3.42 116.57 116.93 2rmx h LYS 53 Ca -0.44 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2rmx h LYS 53 Cb 1.24 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2rmx h LYS 53 CO 0.52 0.22 -0.73 0.00 -0.57 0.00 0.00 179.45 178.89 2rmx n ALA 54 N -2.18 3.00 -3.00 3.86 0.00 -1.26 -5.04 120.51 115.89 2rmx n ALA 54 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2rmx n ALA 54 Cb 0.07 0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 2.89 2.00 3.56 0.00 0.00 -1.26 -5.04 105.19 107.34 2rmx n GLY 55 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 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 2.03 2.56 0.00 1.61 0.04 -1.26 -2.61 135.00 137.37 2rmx s PRO 56 Ca 0.00 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2rmx s PRO 56 Cb 0.00 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.53 2rmx s PRO 56 CO 0.00 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.13 2rmx n GLY 57 N 6.76 1.19 3.82 0.56 0.00 -1.26 -5.14 105.19 111.12 2rmx n GLY 57 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 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 6.51 -0.08 1.61 1.04 -1.07 -4.99 113.70 116.72 2rmx s SER 58 Ca 0.00 1.68 -0.30 0.00 0.48 0.00 0.00 55.95 57.82 2rmx s SER 58 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2rmx s SER 58 CO 0.00 -0.66 1.51 -2.16 0.98 0.00 0.00 173.24 172.91 2rmx s PRO 59 N -3.77 4.20 0.33 4.02 0.04 -1.26 -4.42 135.00 134.15 2rmx s PRO 59 Ca 0.61 2.01 -0.16 0.00 0.04 0.00 0.00 61.00 63.50 2rmx s PRO 59 Cb -0.12 -3.88 -0.12 0.00 0.04 0.00 0.00 34.50 30.42 2rmx s PRO 59 CO 0.27 -0.78 0.03 1.28 0.04 0.00 0.00 177.00 177.84 2rmx n LEU 60 N 6.82 -2.35 -4.78 -3.56 4.77 -1.26 -3.54 117.00 113.10 2rmx n LEU 60 Ca 0.16 0.60 -0.36 0.00 -0.03 0.00 0.00 56.01 56.39 2rmx n LEU 60 Cb 0.43 -0.68 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 2rmx n LEU 60 CO 0.60 -3.35 0.78 -0.60 -1.33 0.00 0.00 177.39 173.49 2rmx s ARG 61 N -0.77 3.65 -0.09 3.23 6.06 -0.39 -4.73 118.95 125.91 2rmx s ARG 61 Ca 0.46 1.60 0.01 0.00 -2.50 0.00 0.00 55.73 55.29 2rmx s ARG 61 Cb -0.47 -2.20 -0.02 0.00 0.06 0.00 0.00 34.95 32.31 2rmx s ARG 61 CO 0.49 -0.60 -0.11 0.08 -2.50 0.00 0.00 175.30 172.67 2rmx s VAL 62 N -1.73 3.35 -0.26 7.11 1.01 -1.26 -1.01 120.40 127.60 2rmx s VAL 62 Ca 0.67 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2rmx s VAL 62 Cb -0.24 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2rmx s VAL 62 CO 0.28 0.56 -0.02 -0.89 0.00 0.00 0.00 175.10 175.03 2rmx s THR 63 N -0.32 3.28 -0.46 3.92 2.01 0.76 -4.95 115.64 119.87 2rmx s THR 63 Ca 0.04 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 2rmx s THR 63 Cb -0.13 -2.64 0.07 0.00 0.01 0.00 0.00 72.50 69.82 2rmx s THR 63 CO 0.02 0.21 0.37 -1.00 -0.69 0.00 0.00 174.62 173.53 2rmx s HIS 64 N 1.40 3.26 -0.17 4.92 3.76 -1.26 -1.67 115.29 125.53 2rmx s HIS 64 Ca 0.02 -1.03 -0.07 0.00 -0.15 0.00 0.00 55.06 53.83 2rmx s HIS 64 Cb -0.16 -3.13 -0.04 0.00 1.11 0.00 0.00 32.58 30.36 2rmx s HIS 64 CO -0.02 -0.80 0.07 0.42 -0.85 0.00 0.00 174.74 173.55 2rmx s ILE 65 N 1.60 4.86 -0.11 0.60 1.01 -1.12 -4.98 121.20 123.06 2rmx s ILE 65 Ca 0.04 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 2rmx s ILE 65 Cb -0.24 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.04 2rmx s ILE 65 CO 0.06 0.48 1.04 -0.75 0.00 0.00 0.00 174.94 175.77 2rmx s LYS 66 N 0.19 4.39 -0.68 2.79 2.20 -1.26 -1.47 119.74 125.91 2rmx s LYS 66 Ca 0.05 1.44 -0.10 0.00 -0.36 0.00 0.00 55.97 57.00 2rmx s LYS 66 Cb -0.12 -3.56 0.18 0.00 -1.51 0.00 0.00 37.83 32.82 2rmx s LYS 66 CO 0.00 -0.37 0.57 0.08 -0.36 0.00 0.00 175.35 175.27 2rmx s VAL 67 N 2.18 4.74 1.13 4.02 1.01 -0.53 -4.47 120.40 128.49 2rmx s VAL 67 Ca 0.49 -2.42 -0.13 0.00 0.00 0.00 0.00 61.98 59.92 2rmx s VAL 67 Cb -0.19 -4.01 0.27 0.00 0.00 0.00 0.00 36.38 32.45 2rmx s VAL 67 CO 0.17 -0.92 1.04 -0.04 0.00 0.00 0.00 175.10 175.35 2rmx s MET 68 N 0.42 -0.67 -0.04 2.72 -1.94 0.61 -1.81 119.30 118.59 2rmx s MET 68 Ca 0.14 0.78 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 2rmx s MET 68 Cb -0.18 -1.59 0.03 0.00 2.01 0.00 0.00 34.83 35.10 2rmx s MET 68 CO -0.05 -3.54 -0.01 0.00 -0.01 0.00 0.00 175.02 171.41 2rmx s GLU 70 N 1.08 2.14 -0.79 0.00 2.02 -1.01 -4.83 118.70 117.30 2rmx s GLU 70 Ca -0.09 -2.99 -0.02 0.00 0.02 0.00 0.00 54.97 51.89 2rmx s GLU 70 Cb -0.14 -3.15 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 2rmx s GLU 70 CO -0.01 -1.25 0.67 0.41 0.02 0.00 0.00 175.26 175.10 2rmx n GLY 71 N 2.40 -0.33 1.90 -1.39 0.00 -1.26 -3.09 105.19 103.42 2rmx n GLY 71 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.20 2.82 3.78 -0.02 0.00 -1.26 -5.02 105.19 104.30 2rmx n GLY 72 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.06 0.20 -0.03 1.61 0.52 -1.18 -4.56 118.95 115.45 2rmx s ARG 73 Ca 0.00 -0.11 -0.05 0.00 -0.52 0.00 0.00 55.73 55.05 2rmx s ARG 73 Cb 0.00 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.71 2rmx s ARG 73 CO 0.00 -2.76 0.13 0.71 0.02 0.00 0.00 175.30 173.40 2rmx s TYR 74 N -3.44 -0.07 0.15 -0.53 2.02 -1.01 -2.40 117.35 112.07 2rmx s TYR 74 Ca 0.70 0.17 -0.14 0.00 -0.37 0.00 0.00 57.07 57.42 2rmx s TYR 74 Cb -0.09 0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.50 2rmx s TYR 74 CO 0.54 -0.15 0.40 -0.08 -1.57 0.00 0.00 175.55 174.69 2rmx s THR 75 N -0.46 0.06 -0.50 -0.71 -1.32 -0.80 -2.02 115.64 109.88 2rmx s THR 75 Ca -0.05 -0.85 0.03 0.00 -1.21 0.00 0.00 61.69 59.61 2rmx s THR 75 Cb -0.04 -1.45 0.15 0.00 -1.51 0.00 0.00 72.50 69.65 2rmx s THR 75 CO 0.01 -0.28 0.31 0.68 -2.21 0.00 0.00 174.62 173.13 2rmx s VAL 76 N -3.86 1.75 0.00 5.08 -7.23 -1.26 -0.28 120.40 114.60 2rmx s VAL 76 Ca 0.08 -3.05 0.00 0.00 -1.81 0.00 0.00 61.98 57.20 2rmx s VAL 76 Cb 0.01 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.75 2rmx s VAL 76 CO -0.07 -0.95 0.00 0.61 -0.31 0.00 0.00 175.10 174.38 2rmx n GLY 77 N 3.05 1.14 3.73 2.32 0.00 -1.26 -4.92 105.19 109.24 2rmx n GLY 77 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 1.62 0.35 -0.02 0.00 -1.26 -4.95 107.32 103.06 2rmx s GLY 78 Ca 0.00 -0.04 0.18 0.00 0.00 0.00 0.00 44.72 44.86 2rmx s GLY 78 CO 0.00 0.43 1.63 1.41 0.00 0.00 0.00 173.10 176.56 2rmx h LEU 79 N -1.46 0.00 -9.29 0.66 -0.00 -2.00 -3.46 115.31 99.75 2rmx h LEU 79 Ca -0.49 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 56.95 2rmx h LEU 79 Cb 1.28 0.00 0.24 0.00 -0.00 0.00 0.00 40.66 42.17 2rmx h LEU 79 CO 0.55 0.39 -1.78 -0.62 -0.00 0.00 0.00 178.44 176.97 2rmx n GLU 80 N -3.36 -0.89 -3.50 1.13 1.02 -1.26 -5.03 120.64 108.74 2rmx n GLU 80 Ca 0.01 -0.25 -0.12 0.00 -0.02 0.00 0.00 57.16 56.78 2rmx n GLU 80 Cb 0.59 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.63 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 -2.11 0.03 0.01 2.62 -4.23 -1.26 -4.58 115.64 106.11 2rmx s THR 81 Ca 0.44 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.76 2rmx s THR 81 Cb -0.01 -1.06 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 2rmx s THR 81 CO 0.63 -0.12 -0.04 -0.36 -0.54 0.00 0.00 174.62 174.19 2rmx s PHE 82 N -3.68 0.37 0.44 3.99 0.40 -0.86 -4.91 117.98 113.73 2rmx s PHE 82 Ca 0.01 -0.23 0.26 0.00 -0.60 0.00 0.00 56.93 56.37 2rmx s PHE 82 Cb 0.00 -0.23 1.29 0.00 0.51 0.00 0.00 43.02 44.59 2rmx s PHE 82 CO -0.12 -0.05 1.72 0.22 0.70 0.00 0.00 175.22 177.69 2rmx h ASP 83 N 5.49 0.30 -5.68 1.36 1.82 -1.91 -2.67 116.42 115.14 2rmx h ASP 83 Ca -0.29 0.08 0.29 0.00 -0.39 0.00 0.00 57.03 56.72 2rmx h ASP 83 Cb 1.20 0.05 -0.09 0.00 0.68 0.00 0.00 39.33 41.17 2rmx h ASP 83 CO 0.47 -0.01 0.77 -0.44 -1.61 0.00 0.00 179.24 178.41 2rmx s SER 84 N -4.97 -0.05 0.11 2.28 0.01 -1.26 -4.48 113.70 105.34 2rmx s SER 84 Ca -0.08 -0.26 -0.23 0.00 1.31 0.00 0.00 55.95 56.70 2rmx s SER 84 Cb 0.26 0.25 -0.06 0.00 0.21 0.00 0.00 66.02 66.68 2rmx s SER 84 CO 0.81 -0.47 1.39 -0.07 0.41 0.00 0.00 173.24 175.30 2rmx h LEU 85 N 2.00 -1.48 -0.97 2.44 -0.00 -1.90 0.25 115.31 115.65 2rmx h LEU 85 Ca -0.27 0.22 0.25 0.00 -0.00 0.00 0.00 57.88 58.07 2rmx h LEU 85 Cb 1.20 0.64 -0.18 0.00 -0.00 0.00 0.00 40.66 42.32 2rmx h LEU 85 CO 0.30 -0.20 -0.03 0.74 -0.00 0.00 0.00 178.44 179.24 2rmx h THR 86 N -0.09 0.04 -0.52 0.22 2.02 -1.98 0.99 112.91 113.59 2rmx h THR 86 Ca 0.09 -0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.15 2rmx h THR 86 Cb 0.34 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2rmx h THR 86 CO -0.59 0.00 -0.14 -0.78 0.37 0.00 0.00 175.52 174.39 2rmx h ASP 87 N 0.01 1.01 0.22 4.18 3.58 -1.12 -1.95 116.42 122.35 2rmx h ASP 87 Ca 0.56 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 2rmx h ASP 87 Cb 1.08 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2rmx h ASP 87 CO -0.92 1.13 -0.11 0.25 -2.88 0.00 0.00 179.24 176.71 2rmx h LEU 88 N 0.88 -0.25 -0.46 2.28 6.46 0.37 -2.84 115.31 121.75 2rmx h LEU 88 Ca 0.13 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.97 2rmx h LEU 88 Cb 0.70 0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 40.61 2rmx h LEU 88 CO 0.05 -0.08 -0.49 0.58 -0.62 0.00 0.00 178.44 177.88 2rmx h VAL 89 N -0.49 0.06 -0.55 1.05 2.07 0.07 -1.49 116.25 116.97 2rmx h VAL 89 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 2rmx h VAL 89 Cb 0.23 0.06 -0.08 0.00 -1.52 0.00 0.00 31.29 29.97 2rmx h VAL 89 CO 0.05 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.82 2rmx h GLU 90 N -0.33 -0.20 -0.27 1.57 5.08 -1.48 1.19 114.58 120.14 2rmx h GLU 90 Ca 0.12 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 2rmx h GLU 90 Cb 0.58 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2rmx h GLU 90 CO -0.62 -0.14 0.44 1.25 -1.00 0.00 0.00 179.01 178.94 2rmx h HIS 91 N -0.21 0.00 0.00 4.33 2.76 -1.13 0.76 115.15 121.66 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 0.45 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2rmx h HIS 91 CO -0.83 0.00 -1.27 1.19 -1.30 0.00 0.00 177.93 175.72 2rmx n PHE 92 N -3.37 0.52 0.26 5.26 3.72 0.33 -2.79 117.46 121.39 2rmx n PHE 92 Ca 0.04 0.15 0.15 0.00 -0.05 0.00 0.00 57.45 57.74 2rmx n PHE 92 Cb 0.57 -0.69 0.56 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.75 0.28 116.57 118.09 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 0.92 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 2rmx h LYS 93 CO 0.00 0.05 -2.02 0.36 -0.57 0.00 0.00 179.45 177.27 2rmx n LYS 94 N -3.16 0.44 -0.03 3.15 2.85 -1.11 -4.51 118.16 115.80 2rmx n LYS 94 Ca 0.01 0.11 -0.18 0.00 -1.05 0.00 0.00 58.31 57.20 2rmx n LYS 94 Cb 0.37 -1.34 -0.13 0.00 -0.65 0.00 0.00 35.03 33.27 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 -0.06 1.43 0.00 0.58 1.35 -1.59 -3.51 112.91 111.11 2rmx h THR 95 Ca -0.41 -2.37 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 2rmx h THR 95 Cb 1.60 3.02 0.00 0.00 -1.73 0.00 0.00 68.15 71.04 2rmx h THR 95 CO -0.08 0.60 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 2rmx n GLY 96 N 1.62 0.73 3.61 5.82 0.00 0.10 -5.02 105.19 112.05 2rmx n GLY 96 Ca -0.18 -1.83 -0.33 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 -2.47 3.81 -0.56 -0.61 1.01 -0.72 -4.89 121.20 116.77 2rmx s ILE 97 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.04 2rmx s ILE 97 Cb 0.00 -2.63 0.14 0.00 0.01 0.00 0.00 42.46 39.98 2rmx s ILE 97 CO 0.00 0.47 0.33 -0.70 0.00 0.00 0.00 174.94 175.04 2rmx s GLU 98 N -1.22 2.22 0.84 2.79 2.12 -1.26 -0.61 118.70 123.58 2rmx s GLU 98 Ca 0.16 -2.56 -0.13 0.00 0.36 0.00 0.00 54.97 52.80 2rmx s GLU 98 Cb -0.11 -3.50 0.05 0.00 0.26 0.00 0.00 34.13 30.83 2rmx s GLU 98 CO 0.06 -1.13 0.83 0.39 -0.54 0.00 0.00 175.26 174.87 2rmx n GLU 99 N 3.32 0.02 0.35 4.30 1.02 0.74 -4.87 120.64 125.52 2rmx n GLU 99 Ca 0.06 0.07 -0.19 0.00 -0.02 0.00 0.00 57.16 57.08 2rmx n GLU 99 Cb 0.35 -2.14 -0.10 0.00 -0.02 0.00 0.00 31.44 29.53 2rmx n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rmx h ALA 100 N -1.06 -1.21 -0.99 0.62 0.00 -1.99 -2.24 119.26 112.40 2rmx h ALA 100 Ca -0.45 -0.22 0.37 0.00 0.00 0.00 0.00 54.91 54.61 2rmx h ALA 100 Cb 1.30 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 19.65 2rmx h ALA 100 CO 0.41 -1.21 0.60 0.43 0.00 0.00 0.00 179.25 179.49 2rmx n SER 101 N -5.55 0.22 0.00 0.00 7.64 -1.26 -4.65 113.62 110.03 2rmx n SER 101 Ca -0.13 1.23 0.00 0.00 1.01 0.00 0.00 58.87 60.98 2rmx n SER 101 Cb 0.48 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2rmx n SER 101 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2rmx n GLY 102 N -1.33 1.68 3.81 0.23 0.00 -0.84 -5.14 105.19 103.60 2rmx n GLY 102 Ca 0.32 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.68 3.68 -0.34 4.61 0.00 -1.23 -4.93 121.76 121.87 2rmx s ALA 103 Ca 0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 2rmx s ALA 103 Cb 0.00 -1.56 0.08 0.00 0.00 0.00 0.00 23.12 21.64 2rmx s ALA 103 CO 0.00 0.76 0.08 -0.06 0.00 0.00 0.00 175.76 176.54 2rmx s PHE 104 N -1.40 3.46 0.01 0.00 0.08 -1.26 -0.18 117.98 118.69 2rmx s PHE 104 Ca 0.30 -2.26 -0.27 0.00 0.12 0.00 0.00 56.93 54.83 2rmx s PHE 104 Cb -0.12 -2.62 -0.04 0.00 -0.57 0.00 0.00 43.02 39.66 2rmx s PHE 104 CO 0.23 -0.89 0.84 0.08 -0.10 0.00 0.00 175.22 175.38 2rmx s VAL 105 N 1.15 4.82 -0.05 -0.44 1.01 0.22 -4.91 120.40 122.21 2rmx s VAL 105 Ca 0.02 1.77 0.05 0.00 0.00 0.00 0.00 61.98 63.82 2rmx s VAL 105 Cb -0.21 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2rmx s VAL 105 CO -0.03 0.27 -0.19 -0.31 0.00 0.00 0.00 175.10 174.83 2rmx s TYR 106 N 0.49 2.55 -0.45 5.22 2.02 -1.26 -1.75 117.35 124.17 2rmx s TYR 106 Ca 0.43 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.78 2rmx s TYR 106 Cb -0.20 -1.59 0.12 0.00 -0.40 0.00 0.00 41.96 39.88 2rmx s TYR 106 CO 0.24 0.04 0.23 -0.51 -1.57 0.00 0.00 175.55 173.98 2rmx s LEU 107 N -0.56 5.04 -0.21 -1.29 1.02 -1.26 -4.27 118.68 117.15 2rmx s LEU 107 Ca 0.08 -2.35 -0.18 0.00 0.02 0.00 0.00 54.13 51.69 2rmx s LEU 107 Cb -0.11 -1.77 -0.19 0.00 0.02 0.00 0.00 46.19 44.14 2rmx s LEU 107 CO 0.01 -0.43 0.14 0.54 0.02 0.00 0.00 176.35 176.62 2rmx n ARG 108 N 4.11 0.60 -3.87 1.70 1.74 -0.96 -4.60 116.66 115.37 2rmx n ARG 108 Ca 0.02 0.48 -0.12 0.00 -0.77 0.00 0.00 57.85 57.47 2rmx n ARG 108 Cb 0.40 -1.70 -0.12 0.00 -1.02 0.00 0.00 32.46 30.01 2rmx n ARG 108 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2rmx s GLN 109 N -2.41 0.22 0.00 5.56 0.00 -1.22 -5.08 119.66 116.72 2rmx s GLN 109 Ca -0.30 -0.10 0.00 0.00 -0.00 0.00 0.00 55.36 54.97 2rmx s GLN 109 Cb 0.07 0.09 0.00 0.00 0.00 0.00 0.00 33.01 33.18 2rmx s GLN 109 CO 0.60 -0.04 0.00 -0.35 0.00 0.00 0.00 175.29 175.50 2rmx n PRO 110 N 2.48 -0.04 -3.67 9.60 -0.04 -1.26 -2.78 135.00 139.30 2rmx n PRO 110 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 2rmx n PRO 110 Cb 0.58 0.00 -0.18 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 -0.51 0.02 0.02 0.54 5.04 -0.95 -4.60 117.35 116.90 2rmx s TYR 111 Ca 0.00 0.32 -0.00 0.00 -2.44 0.00 0.00 57.07 54.95 2rmx s TYR 111 Cb 0.00 -0.44 -0.04 0.00 0.35 0.00 0.00 41.96 41.83 2rmx s TYR 111 CO 0.00 -0.20 0.11 0.71 -1.34 0.00 0.00 175.55 174.82 2rmx s TYR 112 N 2.18 3.33 0.42 4.97 2.02 -1.26 -4.84 117.35 124.16 2rmx s TYR 112 Ca 0.05 0.21 0.06 0.00 -0.37 0.00 0.00 57.07 57.01 2rmx s TYR 112 Cb -0.12 -1.73 -0.07 0.00 -0.40 0.00 0.00 41.96 39.64 2rmx s TYR 112 CO -0.03 0.56 0.01 0.45 -1.57 0.00 0.00 175.55 174.97 2rmx s SER 113 N -1.97 3.86 0.00 2.29 0.15 -1.26 -4.84 113.70 111.93 2rmx s SER 113 Ca 0.26 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2rmx s SER 113 Cb -0.12 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2rmx s SER 113 CO 0.17 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2rmx n GLY 114 N -1.00 1.80 0.20 9.45 0.00 -1.26 -4.74 105.19 109.63 2rmx n GLY 114 Ca -0.07 -0.74 0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -6.12 1.61 0.13 -1.93 -3.38 132.00 122.30 2rmx h PRO 115 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2rmx h PRO 115 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2rmx h PRO 115 CO 0.00 0.00 1.38 -1.54 -0.23 0.00 0.00 178.00 177.61 2rmx s SER 116 N -4.89 5.64 -1.32 1.44 1.04 -1.26 -2.94 113.70 111.41 2rmx s SER 116 Ca 0.03 1.49 -0.04 0.00 0.48 0.00 0.00 55.95 57.91 2rmx s SER 116 Cb 0.09 -2.52 -0.00 0.00 0.10 0.00 0.00 66.02 63.69 2rmx s SER 116 CO 0.46 -1.88 0.58 -0.24 0.98 0.00 0.00 173.24 173.14 2rmx n SER 117 N 11.16 -1.57 0.00 7.02 2.88 -1.26 -5.07 113.62 126.78 2rmx n SER 117 Ca 0.26 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 2rmx n SER 117 Cb 0.47 -3.47 0.00 0.00 -0.75 0.00 0.00 64.21 60.45 2rmx n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42