#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 -1.18 -4.07 1.61 2.88 -1.26 -4.97 113.62 106.63 2rmx n SER 2 Ca 0.00 1.10 -0.13 0.00 -1.33 0.00 0.00 58.87 58.50 2rmx n SER 2 Cb 0.00 -0.92 -0.11 0.00 -0.75 0.00 0.00 64.21 62.42 2rmx n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2rmx s SER 3 N -0.94 0.93 -0.92 -3.46 0.15 -1.26 -5.09 113.70 103.11 2rmx s SER 3 Ca 0.63 -0.56 -0.01 0.00 0.70 0.00 0.00 55.95 56.72 2rmx s SER 3 Cb -0.91 0.03 0.28 0.00 -1.71 0.00 0.00 66.02 63.71 2rmx s SER 3 CO 0.54 -0.19 1.18 0.61 1.20 0.00 0.00 173.24 176.58 2rmx n GLY 4 N 1.45 4.98 3.81 9.45 0.00 -1.26 -4.79 105.19 118.83 2rmx n GLY 4 Ca -0.23 -2.70 -0.24 0.00 0.00 0.00 0.00 46.02 42.85 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 1.23 -1.76 -4.67 1.61 7.64 -1.26 -4.96 113.62 111.46 2rmx n SER 5 Ca 0.27 -0.86 -0.35 0.00 1.01 0.00 0.00 58.87 58.95 2rmx n SER 5 Cb 0.36 -3.77 -0.09 0.00 -1.01 0.00 0.00 64.21 59.70 2rmx n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2rmx s SER 6 N -4.12 5.85 0.00 6.43 0.15 -1.26 -4.98 113.70 115.76 2rmx s SER 6 Ca 0.16 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2rmx s SER 6 Cb -0.08 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2rmx s SER 6 CO 0.84 0.18 0.00 0.61 1.20 0.00 0.00 173.24 176.07 2rmx n GLY 7 N 3.49 0.75 0.89 9.45 0.00 -1.26 -4.85 105.19 113.65 2rmx n GLY 7 Ca -0.16 -1.78 0.03 0.00 0.00 0.00 0.00 46.02 44.10 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 0.81 0.29 -3.84 1.61 -0.00 -1.26 -4.81 117.44 110.24 2rmx n TRP 8 Ca 0.00 -1.46 -0.36 0.00 -0.00 0.00 0.00 57.50 55.68 2rmx n TRP 8 Cb 0.00 -0.25 -0.12 0.00 -0.00 0.00 0.00 31.31 30.95 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 -2.89 3.13 -0.24 -2.67 5.04 -1.26 -0.56 117.35 117.90 2rmx s TYR 9 Ca 0.39 -0.27 -0.15 0.00 -2.44 0.00 0.00 57.07 54.60 2rmx s TYR 9 Cb 0.38 -2.20 -0.10 0.00 0.35 0.00 0.00 41.96 40.39 2rmx s TYR 9 CO -0.07 -0.22 -0.35 0.72 -1.34 0.00 0.00 175.55 174.29 2rmx n HIS 10 N 4.56 0.00 0.00 4.97 8.25 0.05 -5.01 115.22 128.05 2rmx n HIS 10 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2rmx n HIS 10 Cb 0.52 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 1.35 0.31 3.53 -1.41 0.00 -1.26 -4.94 105.19 102.77 2rmx n GLY 11 Ca -0.39 -1.67 -0.47 0.00 0.00 0.00 0.00 46.02 43.49 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 1.81 -3.63 1.61 1.44 -1.26 -1.12 115.22 114.06 2rmx n HIS 12 Ca 0.00 0.07 -0.04 0.00 -2.01 0.00 0.00 57.72 55.74 2rmx n HIS 12 Cb 0.00 -2.63 -0.06 0.00 0.12 0.00 0.00 29.99 27.42 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 6.18 0.61 0.91 -1.40 0.00 -1.26 -4.97 119.30 119.36 2rmx s MET 13 Ca 1.05 1.18 -0.14 0.00 0.00 0.00 0.00 55.69 57.77 2rmx s MET 13 Cb -0.60 0.33 0.21 0.00 0.00 0.00 0.00 34.83 34.77 2rmx s MET 13 CO 0.43 -0.15 1.23 -1.13 0.00 0.00 0.00 175.02 175.40 2rmx n SER 14 N 4.55 0.21 0.15 1.11 3.41 -1.26 -4.75 113.62 117.05 2rmx n SER 14 Ca -0.17 -1.52 -0.07 0.00 -0.26 0.00 0.00 58.87 56.85 2rmx n SER 14 Cb 0.56 -0.93 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 2rmx n SER 14 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2rmx h GLY 15 N -1.56 -0.48 -0.77 5.00 0.00 -2.00 -2.87 103.07 100.39 2rmx h GLY 15 Ca -0.40 0.18 0.40 0.00 0.00 0.00 0.00 47.33 47.51 2rmx h GLY 15 CO 0.29 -0.18 0.99 -1.33 0.00 0.00 0.00 176.54 176.31 2rmx h GLY 16 N -1.07 0.07 0.20 4.60 0.00 -2.01 -1.82 103.07 103.04 2rmx h GLY 16 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 2rmx h GLY 16 CO 0.08 -0.01 -0.10 -1.61 0.00 0.00 0.00 176.54 174.90 2rmx h GLN 17 N 0.01 -0.26 -0.97 4.80 4.15 -1.95 -3.21 115.11 117.69 2rmx h GLN 17 Ca 0.66 0.02 0.29 0.00 0.77 0.00 0.00 58.65 60.39 2rmx h GLN 17 Cb 2.62 0.06 -0.18 0.00 0.21 0.00 0.00 27.48 30.19 2rmx h GLN 17 CO -0.03 -0.17 0.09 0.00 -1.93 0.00 0.00 178.83 176.79 2rmx n ALA 18 N -2.40 0.56 -0.18 3.38 0.00 -0.73 0.98 120.51 122.11 2rmx n ALA 18 Ca -0.03 1.03 -0.01 0.00 0.00 0.00 0.00 53.44 54.43 2rmx n ALA 18 Cb 0.11 -0.79 0.09 0.00 0.00 0.00 0.00 19.45 18.86 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 0.29 0.76 0.00 5.08 -1.52 -0.02 114.58 119.16 2rmx h GLU 19 Ca 0.62 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.93 2rmx h GLU 19 Cb 1.34 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.54 2rmx h GLU 19 CO -0.89 0.19 -0.37 1.15 -1.00 0.00 0.00 179.01 178.10 2rmx h THR 20 N 0.30 0.00 -0.65 1.13 2.02 0.62 0.18 112.91 116.50 2rmx h THR 20 Ca 0.28 -0.06 0.13 0.00 0.77 0.00 0.00 66.41 67.54 2rmx h THR 20 Cb 0.38 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.67 2rmx h THR 20 CO -0.34 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.29 2rmx h LEU 21 N -1.08 -0.69 0.07 2.58 4.07 -1.23 0.23 115.31 119.26 2rmx h LEU 21 Ca -0.10 0.20 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 2rmx h LEU 21 Cb 0.78 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.96 2rmx h LEU 21 CO 0.17 -0.23 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.19 2rmx h LEU 22 N -0.03 -0.09 -0.97 1.67 3.38 -0.96 -2.46 115.31 115.85 2rmx h LEU 22 Ca 0.31 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.58 2rmx h LEU 22 Cb 0.50 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.10 2rmx h LEU 22 CO -0.69 -0.06 0.23 1.56 0.09 0.00 0.00 178.44 179.57 2rmx h GLN 23 N -0.10 0.06 -0.98 1.13 4.20 -0.69 0.97 115.11 119.71 2rmx h GLN 23 Ca -0.01 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.80 2rmx h GLN 23 Cb 0.08 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.76 2rmx h GLN 23 CO 0.02 0.04 0.61 0.00 -0.67 0.00 0.00 178.83 178.83 2rmx h ALA 24 N 1.94 1.44 -0.63 3.87 0.00 -0.42 -0.58 119.26 124.88 2rmx h ALA 24 Ca 0.66 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.60 2rmx h ALA 24 Cb 1.48 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2rmx h ALA 24 CO -0.81 0.25 0.41 -0.22 0.00 0.00 0.00 179.25 178.88 2rmx h LYS 25 N 1.00 0.78 -2.53 0.00 1.63 0.15 -3.46 116.57 114.13 2rmx h LYS 25 Ca 0.47 -0.05 -0.36 0.00 -0.85 0.00 0.00 60.65 59.87 2rmx h LYS 25 Cb 0.41 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2rmx h LYS 25 CO -0.25 0.51 -0.46 0.41 -3.45 0.00 0.00 179.45 176.22 2rmx n GLY 26 N -1.45 -0.36 3.21 5.01 0.00 -0.23 -4.99 105.19 106.39 2rmx n GLY 26 Ca 0.07 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.88 3.13 0.39 1.61 2.02 -1.26 -5.04 118.70 114.66 2rmx s GLU 27 Ca 0.00 -0.78 -0.26 0.00 0.02 0.00 0.00 54.97 53.95 2rmx s GLU 27 Cb 0.00 -2.60 -0.09 0.00 0.10 0.00 0.00 34.13 31.54 2rmx s GLU 27 CO 0.00 -0.06 1.20 -1.25 0.02 0.00 0.00 175.26 175.16 2rmx s PRO 28 N 0.98 4.11 -0.99 0.39 0.04 -1.26 -3.31 135.00 134.96 2rmx s PRO 28 Ca -0.02 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.90 2rmx s PRO 28 Cb -0.15 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.64 2rmx s PRO 28 CO -0.04 -0.30 0.35 0.91 0.04 0.00 0.00 177.00 177.97 2rmx n TRP 29 N 0.22 -1.18 -3.21 0.56 5.03 0.81 -4.82 117.44 114.84 2rmx n TRP 29 Ca 0.03 0.30 -0.46 0.00 3.03 0.00 0.00 57.50 60.41 2rmx n TRP 29 Cb 0.46 -3.17 -0.04 0.00 -1.03 0.00 0.00 31.31 27.52 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 -2.91 5.12 0.56 -0.99 2.01 -1.21 -2.25 115.64 115.97 2rmx s THR 30 Ca 0.17 -1.53 -0.04 0.00 0.31 0.00 0.00 61.69 60.61 2rmx s THR 30 Cb -0.08 -4.45 0.01 0.00 0.01 0.00 0.00 72.50 67.99 2rmx s THR 30 CO 0.22 -1.04 0.84 0.72 -0.69 0.00 0.00 174.62 174.66 2rmx s PHE 31 N 1.77 3.19 -0.29 4.92 -0.71 -1.09 -1.98 117.98 123.79 2rmx s PHE 31 Ca 0.11 0.48 -0.16 0.00 -1.04 0.00 0.00 56.93 56.32 2rmx s PHE 31 Cb -0.22 -2.66 0.13 0.00 -1.21 0.00 0.00 43.02 39.06 2rmx s PHE 31 CO 0.01 -0.75 0.90 -0.48 -1.34 0.00 0.00 175.22 173.56 2rmx s LEU 32 N -4.88 -0.63 -0.09 -1.99 0.05 -0.00 -1.95 118.68 109.19 2rmx s LEU 32 Ca 0.53 1.00 -0.18 0.00 0.05 0.00 0.00 54.13 55.53 2rmx s LEU 32 Cb -0.10 1.91 -0.05 0.00 -2.05 0.00 0.00 46.19 45.90 2rmx s LEU 32 CO 0.43 -0.16 0.47 -0.69 -0.55 0.00 0.00 176.35 175.85 2rmx s VAL 33 N 1.50 5.13 -0.12 1.48 1.01 0.28 -2.52 120.40 127.16 2rmx s VAL 33 Ca -0.09 0.94 -0.06 0.00 0.00 0.00 0.00 61.98 62.78 2rmx s VAL 33 Cb -0.04 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.59 2rmx s VAL 33 CO -0.16 0.38 0.27 0.00 0.00 0.00 0.00 175.10 175.59 2rmx s ARG 34 N 0.22 0.22 0.59 2.72 1.70 -1.17 -0.77 118.95 122.46 2rmx s ARG 34 Ca 0.26 0.60 -0.18 0.00 -0.47 0.00 0.00 55.73 55.94 2rmx s ARG 34 Cb -0.16 -0.09 -0.12 0.00 -0.57 0.00 0.00 34.95 34.01 2rmx s ARG 34 CO 0.11 -0.18 0.06 -1.91 -1.08 0.00 0.00 175.30 172.30 2rmx n GLU 35 N 4.41 0.17 -2.49 3.89 2.13 -0.28 -2.56 120.64 125.91 2rmx n GLU 35 Ca -0.22 0.07 -0.30 0.00 0.66 0.00 0.00 57.16 57.37 2rmx n GLU 35 Cb 0.53 -1.28 -0.01 0.00 0.27 0.00 0.00 31.44 30.95 2rmx n GLU 35 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2rmx s SER 36 N -1.10 6.36 -0.04 4.31 0.15 -0.92 -4.22 113.70 118.24 2rmx s SER 36 Ca 0.60 1.17 -0.05 0.00 0.70 0.00 0.00 55.95 58.36 2rmx s SER 36 Cb -0.44 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.51 2rmx s SER 36 CO 0.64 -0.60 -0.10 0.18 1.20 0.00 0.00 173.24 174.56 2rmx n LEU 37 N -2.04 0.61 0.00 3.45 7.99 -1.26 -4.78 117.00 120.96 2rmx n LEU 37 Ca 0.03 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.13 2rmx n LEU 37 Cb 0.54 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.36 2rmx n LEU 37 CO 0.52 -0.45 0.38 -0.24 -1.51 0.00 0.00 177.39 176.09 2rmx n SER 38 N -3.10 0.00 -4.72 -1.43 2.88 -1.26 -4.37 113.62 101.62 2rmx n SER 38 Ca -0.04 0.76 -0.41 0.00 -1.33 0.00 0.00 58.87 57.86 2rmx n SER 38 Cb 0.14 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.30 2rmx n SER 38 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2rmx s GLN 39 N -2.06 4.52 0.44 -1.46 2.00 -1.26 -5.03 119.66 116.80 2rmx s GLN 39 Ca 0.00 1.19 -0.24 0.00 -2.00 0.00 0.00 55.36 54.31 2rmx s GLN 39 Cb 0.00 -3.44 -0.08 0.00 0.80 0.00 0.00 33.01 30.30 2rmx s GLN 39 CO 0.00 0.06 1.17 -1.25 -0.50 0.00 0.00 175.29 174.77 2rmx s PRO 40 N 0.71 3.87 0.00 1.67 0.04 -1.26 -3.57 135.00 136.46 2rmx s PRO 40 Ca 0.45 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2rmx s PRO 40 Cb -0.20 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.82 2rmx s PRO 40 CO 0.24 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2rmx n GLY 41 N 0.52 1.04 3.09 0.56 0.00 -1.26 -4.94 105.19 104.20 2rmx n GLY 41 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 2.08 -3.53 -4.27 1.61 2.03 -1.23 -4.73 116.55 108.50 2rmx n ASP 42 Ca 0.00 0.05 -0.21 0.00 0.52 0.00 0.00 54.79 55.15 2rmx n ASP 42 Cb 0.00 -0.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.59 2rmx n ASP 42 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2rmx s PHE 43 N -2.08 1.77 0.04 -0.67 0.40 -1.02 -2.17 117.98 114.24 2rmx s PHE 43 Ca 0.43 -1.15 0.01 0.00 -0.60 0.00 0.00 56.93 55.61 2rmx s PHE 43 Cb -0.03 -1.10 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 2rmx s PHE 43 CO 0.70 -0.23 -0.05 0.08 0.70 0.00 0.00 175.22 176.42 2rmx s VAL 44 N -3.42 0.33 -0.30 -0.44 1.01 -1.06 0.33 120.40 116.85 2rmx s VAL 44 Ca 0.33 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2rmx s VAL 44 Cb 0.06 -0.55 0.09 0.00 0.00 0.00 0.00 36.38 35.98 2rmx s VAL 44 CO 0.15 -0.50 0.04 -0.22 0.00 0.00 0.00 175.10 174.58 2rmx s LEU 45 N -1.67 3.19 -0.14 3.92 2.96 0.74 -3.06 118.68 124.61 2rmx s LEU 45 Ca -0.11 -1.70 -0.09 0.00 -0.22 0.00 0.00 54.13 52.01 2rmx s LEU 45 Cb -0.08 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.36 2rmx s LEU 45 CO -0.01 -0.36 0.17 -0.44 -1.32 0.00 0.00 176.35 174.39 2rmx s SER 46 N 1.32 6.36 0.01 3.68 0.01 -1.05 -2.13 113.70 121.89 2rmx s SER 46 Ca 0.06 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.75 2rmx s SER 46 Cb -0.18 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 2rmx s SER 46 CO -0.14 0.29 -0.02 -0.69 0.41 0.00 0.00 173.24 173.08 2rmx s VAL 47 N -0.39 0.14 -0.64 3.43 1.01 -0.93 -0.82 120.40 122.20 2rmx s VAL 47 Ca 0.13 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 2rmx s VAL 47 Cb -0.12 -0.17 0.15 0.00 0.00 0.00 0.00 36.38 36.23 2rmx s VAL 47 CO 0.03 -0.13 0.63 -0.22 0.00 0.00 0.00 175.10 175.41 2rmx s LEU 48 N -0.48 6.13 0.84 3.92 2.96 -0.84 -0.82 118.68 130.38 2rmx s LEU 48 Ca -0.04 -1.96 -0.14 0.00 -0.22 0.00 0.00 54.13 51.77 2rmx s LEU 48 Cb -0.03 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.45 2rmx s LEU 48 CO -0.00 -0.85 0.70 -1.54 -1.32 0.00 0.00 176.35 173.34 2rmx n SER 49 N 5.20 -0.83 -0.05 3.68 3.41 0.00 -0.13 113.62 124.90 2rmx n SER 49 Ca -0.05 0.49 0.14 0.00 -0.26 0.00 0.00 58.87 59.19 2rmx n SER 49 Cb 0.43 -1.31 0.80 0.00 -0.26 0.00 0.00 64.21 63.87 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 -1.66 0.16 -4.56 4.04 -0.08 -1.26 -4.11 116.55 109.09 2rmx n ASP 50 Ca 0.10 -1.17 -0.41 0.00 -1.51 0.00 0.00 54.79 51.80 2rmx n ASP 50 Cb 0.51 -0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.89 2rmx n ASP 50 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2rmx s GLN 51 N -1.99 3.65 0.59 -0.67 -0.21 -1.26 -5.00 119.66 114.76 2rmx s GLN 51 Ca 0.41 -0.17 -0.18 0.00 0.02 0.00 0.00 55.36 55.45 2rmx s GLN 51 Cb 0.19 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 2rmx s GLN 51 CO 0.32 -0.60 1.12 -1.25 -2.12 0.00 0.00 175.29 172.76 2rmx s PRO 52 N 2.33 3.14 0.23 2.91 0.04 -1.26 -1.97 135.00 140.42 2rmx s PRO 52 Ca 0.18 1.52 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 2rmx s PRO 52 Cb -0.16 -1.98 0.28 0.00 0.04 0.00 0.00 34.50 32.68 2rmx s PRO 52 CO 0.13 -1.01 1.87 0.87 0.04 0.00 0.00 177.00 178.90 2rmx h LYS 53 N 0.73 0.99 0.00 4.56 1.57 -1.80 -3.41 116.57 119.22 2rmx h LYS 53 Ca -0.49 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2rmx h LYS 53 Cb 1.26 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2rmx h LYS 53 CO 0.56 0.66 -0.08 0.00 -0.57 0.00 0.00 179.45 180.01 2rmx n ALA 54 N -2.34 3.00 -2.93 3.86 0.00 -1.26 -5.09 120.51 115.74 2rmx n ALA 54 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2rmx n ALA 54 Cb 0.12 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 2.34 3.57 0.00 0.00 -1.26 -5.04 105.19 107.69 2rmx n GLY 55 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 2.35 2.53 0.00 1.61 0.04 -1.26 -2.51 135.00 137.76 2rmx s PRO 56 Ca 0.00 -0.61 0.00 0.00 0.04 0.00 0.00 61.00 60.43 2rmx s PRO 56 Cb 0.00 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.41 2rmx s PRO 56 CO 0.00 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 173.85 2rmx n GLY 57 N 6.47 0.83 3.83 0.56 0.00 -1.26 -5.14 105.19 110.48 2rmx n GLY 57 Ca 0.42 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.11 2rmx n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rmx s SER 58 N 0.00 6.60 -0.22 1.61 1.04 -1.04 -4.99 113.70 116.70 2rmx s SER 58 Ca 0.00 1.64 -0.29 0.00 0.48 0.00 0.00 55.95 57.78 2rmx s SER 58 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2rmx s SER 58 CO 0.00 -0.60 1.62 -2.16 0.98 0.00 0.00 173.24 173.08 2rmx s PRO 59 N -3.82 3.78 0.40 4.02 0.04 -1.26 -4.54 135.00 133.62 2rmx s PRO 59 Ca 0.60 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 63.14 2rmx s PRO 59 Cb -0.11 -4.04 -0.13 0.00 0.04 0.00 0.00 34.50 30.27 2rmx s PRO 59 CO 0.27 -1.31 -0.06 1.28 0.04 0.00 0.00 177.00 177.22 2rmx n LEU 60 N 8.48 -2.88 -4.78 -3.56 4.77 -1.26 -3.87 117.00 113.90 2rmx n LEU 60 Ca 0.19 0.57 -0.36 0.00 -0.03 0.00 0.00 56.01 56.38 2rmx n LEU 60 Cb 0.45 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 2rmx n LEU 60 CO 0.65 -3.85 0.75 -0.60 -1.33 0.00 0.00 177.39 173.01 2rmx s ARG 61 N -0.83 3.93 0.07 3.23 6.06 -0.83 -4.74 118.95 125.84 2rmx s ARG 61 Ca 0.48 1.54 0.05 0.00 -2.50 0.00 0.00 55.73 55.29 2rmx s ARG 61 Cb -0.44 -2.36 -0.04 0.00 0.06 0.00 0.00 34.95 32.17 2rmx s ARG 61 CO 0.54 -0.35 -0.03 0.08 -2.50 0.00 0.00 175.30 173.04 2rmx s VAL 62 N -1.72 3.85 -0.17 7.11 1.01 -1.26 -0.82 120.40 128.40 2rmx s VAL 62 Ca 0.62 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2rmx s VAL 62 Cb -0.22 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.40 2rmx s VAL 62 CO 0.27 0.19 -0.11 -0.89 0.00 0.00 0.00 175.10 174.56 2rmx s THR 63 N -1.22 1.49 -0.28 3.92 2.01 0.00 -4.94 115.64 116.62 2rmx s THR 63 Ca 0.23 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.38 2rmx s THR 63 Cb -0.11 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 2rmx s THR 63 CO 0.15 0.30 0.22 -1.00 -0.69 0.00 0.00 174.62 173.60 2rmx s HIS 64 N 1.49 3.23 -0.21 4.92 3.76 -1.26 -2.18 115.29 125.04 2rmx s HIS 64 Ca 0.02 0.17 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 2rmx s HIS 64 Cb -0.14 -2.40 0.05 0.00 1.11 0.00 0.00 32.58 31.20 2rmx s HIS 64 CO -0.09 -0.16 -0.05 0.42 -0.85 0.00 0.00 174.74 174.00 2rmx s ILE 65 N 1.78 1.35 -0.15 0.60 1.01 -0.91 -4.98 121.20 119.90 2rmx s ILE 65 Ca 0.08 -0.98 -0.29 0.00 0.00 0.00 0.00 60.65 59.46 2rmx s ILE 65 Cb -0.16 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 2rmx s ILE 65 CO 0.11 -0.01 1.59 -0.54 0.00 0.00 0.00 174.94 176.08 2rmx s LYS 66 N 1.50 3.99 -0.54 2.79 1.02 -1.26 -0.19 119.74 127.05 2rmx s LYS 66 Ca -0.03 1.86 -0.24 0.00 0.02 0.00 0.00 55.97 57.58 2rmx s LYS 66 Cb -0.17 -3.98 0.04 0.00 -0.52 0.00 0.00 37.83 33.19 2rmx s LYS 66 CO -0.07 -1.05 0.94 0.08 -0.92 0.00 0.00 175.35 174.33 2rmx s VAL 67 N 4.56 4.40 0.71 3.17 1.01 0.15 -4.76 120.40 129.65 2rmx s VAL 67 Ca 0.70 0.33 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 2rmx s VAL 67 Cb -0.28 -4.53 0.03 0.00 0.00 0.00 0.00 36.38 31.60 2rmx s VAL 67 CO 0.27 -1.08 1.11 -0.04 0.00 0.00 0.00 175.10 175.36 2rmx s MET 68 N 3.93 2.50 -0.07 2.72 -1.94 -0.62 -2.44 119.30 123.38 2rmx s MET 68 Ca 0.31 1.34 -0.00 0.00 -1.71 0.00 0.00 55.69 55.63 2rmx s MET 68 Cb -0.12 -1.92 0.02 0.00 2.01 0.00 0.00 34.83 34.83 2rmx s MET 68 CO 0.20 -1.48 -0.04 0.00 -0.01 0.00 0.00 175.02 173.70 2rmx s GLU 70 N 1.47 2.49 -1.23 0.00 0.41 0.42 -4.76 118.70 117.51 2rmx s GLU 70 Ca -0.02 -2.63 -0.00 0.00 -0.41 0.00 0.00 54.97 51.91 2rmx s GLU 70 Cb -0.13 -3.65 0.00 0.00 -1.78 0.00 0.00 34.13 28.56 2rmx s GLU 70 CO -0.03 -1.17 0.92 0.41 -0.49 0.00 0.00 175.26 174.90 2rmx n GLY 71 N 3.28 -0.34 0.00 -1.39 0.00 -1.26 -2.80 105.19 102.68 2rmx n GLY 71 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.26 2.97 3.73 -0.02 0.00 -1.26 -5.04 105.19 104.30 2rmx n GLY 72 Ca -0.29 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 1.90 0.15 1.61 0.52 -1.12 -4.81 118.95 117.20 2rmx s ARG 73 Ca 0.00 1.41 0.09 0.00 -0.52 0.00 0.00 55.73 56.72 2rmx s ARG 73 Cb 0.00 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 2rmx s ARG 73 CO 0.00 -1.95 -0.21 0.71 0.02 0.00 0.00 175.30 173.87 2rmx s TYR 74 N -2.61 1.95 0.33 -0.53 2.02 -0.84 -0.43 117.35 117.24 2rmx s TYR 74 Ca 0.66 -0.43 -0.17 0.00 -0.37 0.00 0.00 57.07 56.75 2rmx s TYR 74 Cb -0.21 -0.99 0.03 0.00 -0.40 0.00 0.00 41.96 40.39 2rmx s TYR 74 CO 0.53 0.34 0.73 -0.08 -1.57 0.00 0.00 175.55 175.50 2rmx s THR 75 N -1.71 0.00 -0.22 -0.71 -1.32 -0.58 -1.06 115.64 110.03 2rmx s THR 75 Ca 0.15 -1.04 -0.04 0.00 -1.21 0.00 0.00 61.69 59.54 2rmx s THR 75 Cb -0.07 -2.44 0.08 0.00 -1.51 0.00 0.00 72.50 68.56 2rmx s THR 75 CO 0.07 0.00 0.12 0.68 -2.21 0.00 0.00 174.62 173.27 2rmx s VAL 76 N -3.16 -0.10 0.00 5.08 -7.23 -1.26 -1.59 120.40 112.14 2rmx s VAL 76 Ca 0.14 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2rmx s VAL 76 Cb -0.05 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.13 2rmx s VAL 76 CO 0.10 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.03 2rmx n GLY 77 N 5.27 -0.31 2.98 2.32 0.00 -1.26 -4.83 105.19 109.37 2rmx n GLY 77 Ca -0.06 0.00 -0.10 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 -1.51 0.14 0.56 -0.02 0.00 -1.26 -5.02 107.32 100.19 2rmx s GLY 78 Ca 0.00 -0.33 0.23 0.00 0.00 0.00 0.00 44.72 44.62 2rmx s GLY 78 CO 0.00 -0.39 2.20 1.41 0.00 0.00 0.00 173.10 176.32 2rmx h LEU 79 N 4.99 0.00 -9.48 0.66 4.07 -2.02 -3.44 115.31 110.09 2rmx h LEU 79 Ca -0.30 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.31 2rmx h LEU 79 Cb 1.21 0.00 0.19 0.00 1.08 0.00 0.00 40.66 43.14 2rmx h LEU 79 CO 0.43 0.00 -0.64 -0.62 -1.08 0.00 0.00 178.44 176.53 2rmx n GLU 80 N -4.19 -2.32 -3.89 1.13 1.02 -1.26 -5.05 120.64 106.08 2rmx n GLU 80 Ca -0.03 -0.68 -0.08 0.00 -0.02 0.00 0.00 57.16 56.35 2rmx n GLU 80 Cb 0.10 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 29.83 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 -2.16 0.00 -0.13 2.62 -4.23 -1.26 -4.66 115.64 105.82 2rmx s THR 81 Ca 0.50 -1.12 -0.11 0.00 -1.18 0.00 0.00 61.69 59.78 2rmx s THR 81 Cb -0.10 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.76 2rmx s THR 81 CO 0.52 -0.01 0.34 -0.36 -0.54 0.00 0.00 174.62 174.57 2rmx s PHE 82 N -3.95 -0.39 0.25 3.99 0.40 -0.22 -4.94 117.98 113.12 2rmx s PHE 82 Ca 0.15 0.93 -0.13 0.00 -0.60 0.00 0.00 56.93 57.28 2rmx s PHE 82 Cb -0.03 0.13 0.33 0.00 0.51 0.00 0.00 43.02 43.96 2rmx s PHE 82 CO 0.06 -0.19 1.57 0.22 0.70 0.00 0.00 175.22 177.58 2rmx h ASP 83 N 5.80 -1.06 -5.05 1.36 3.58 -1.91 -2.22 116.42 116.92 2rmx h ASP 83 Ca -0.28 0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2rmx h ASP 83 Cb 1.18 0.63 -0.02 0.00 1.72 0.00 0.00 39.33 42.84 2rmx h ASP 83 CO 0.30 -0.30 0.22 -0.94 -2.88 0.00 0.00 179.24 175.64 2rmx s SER 84 N -5.27 0.00 0.51 2.28 1.04 -1.26 -4.51 113.70 106.49 2rmx s SER 84 Ca -0.14 -1.04 0.35 0.00 0.48 0.00 0.00 55.95 55.60 2rmx s SER 84 Cb 0.23 0.80 1.50 0.00 0.10 0.00 0.00 66.02 68.65 2rmx s SER 84 CO 0.75 -1.57 1.75 -0.07 0.98 0.00 0.00 173.24 175.08 2rmx h LEU 85 N 2.02 0.09 0.34 2.42 -0.00 -1.94 0.10 115.31 118.34 2rmx h LEU 85 Ca -0.29 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.60 2rmx h LEU 85 Cb 1.25 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 2rmx h LEU 85 CO 0.36 -0.00 -0.16 0.74 -0.00 0.00 0.00 178.44 179.38 2rmx h THR 86 N 0.07 0.68 -0.21 0.22 2.02 -1.96 0.22 112.91 113.93 2rmx h THR 86 Ca 0.65 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 67.34 2rmx h THR 86 Cb 2.41 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2rmx h THR 86 CO -0.09 0.08 -0.17 -0.78 0.37 0.00 0.00 175.52 174.93 2rmx h ASP 87 N -0.69 0.35 0.38 4.18 1.82 -1.28 -0.85 116.42 120.32 2rmx h ASP 87 Ca -0.05 -0.09 -0.02 0.00 -0.39 0.00 0.00 57.03 56.48 2rmx h ASP 87 Cb 0.48 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2rmx h ASP 87 CO 0.08 0.54 -0.18 0.25 -1.61 0.00 0.00 179.24 178.32 2rmx h LEU 88 N 0.33 -0.43 0.46 2.28 6.46 -0.87 -2.76 115.31 120.78 2rmx h LEU 88 Ca 0.06 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2rmx h LEU 88 Cb 0.50 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 2rmx h LEU 88 CO 0.03 -0.09 -0.47 0.58 -0.62 0.00 0.00 178.44 177.86 2rmx h VAL 89 N -0.94 0.07 -0.60 1.05 2.07 -0.61 -1.80 116.25 115.49 2rmx h VAL 89 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2rmx h VAL 89 Cb 0.39 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.14 2rmx h VAL 89 CO 0.09 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.86 2rmx h GLU 90 N -0.94 -0.16 -0.09 1.57 5.08 -1.30 1.40 114.58 120.13 2rmx h GLU 90 Ca -0.05 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2rmx h GLU 90 Cb 0.83 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2rmx h GLU 90 CO -0.07 -0.11 0.30 1.25 -1.00 0.00 0.00 179.01 179.38 2rmx h HIS 91 N -0.17 0.00 0.00 4.33 2.76 -1.38 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 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2rmx h HIS 91 CO -0.86 0.00 -1.29 1.19 -1.30 0.00 0.00 177.93 175.66 2rmx n PHE 92 N -3.14 0.55 0.31 5.26 3.72 0.40 -2.82 117.46 121.75 2rmx n PHE 92 Ca -0.00 0.16 0.15 0.00 -0.05 0.00 0.00 57.45 57.70 2rmx n PHE 92 Cb 0.38 -0.72 0.48 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.60 0.44 116.57 118.10 2rmx h LYS 93 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 2rmx h LYS 93 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 2rmx h LYS 93 CO 0.00 0.00 -1.95 0.36 -0.57 0.00 0.00 179.45 177.29 2rmx n LYS 94 N -2.90 1.02 0.03 3.15 2.85 -1.12 -4.61 118.16 116.58 2rmx n LYS 94 Ca 0.02 0.05 -0.22 0.00 -1.05 0.00 0.00 58.31 57.11 2rmx n LYS 94 Cb 0.38 -1.34 -0.14 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 0.00 0.79 0.00 0.58 1.35 -1.58 -3.51 112.91 110.54 2rmx h THR 95 Ca -0.37 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2rmx h THR 95 Cb 1.69 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.74 2rmx h THR 95 CO -0.03 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.72 2rmx n GLY 96 N 1.91 -0.40 3.38 5.82 0.00 0.16 -5.01 105.19 111.04 2rmx n GLY 96 Ca -0.28 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.41 2.41 -0.04 -0.61 1.01 -0.84 -4.90 121.20 115.82 2rmx s ILE 97 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 59.52 2rmx s ILE 97 Cb 0.00 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 2rmx s ILE 97 CO 0.00 0.47 -0.03 -0.70 0.00 0.00 0.00 174.94 174.68 2rmx s GLU 98 N -0.98 2.78 0.10 2.79 2.12 -1.26 -0.84 118.70 123.42 2rmx s GLU 98 Ca 0.12 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 54.90 2rmx s GLU 98 Cb -0.10 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 2rmx s GLU 98 CO 0.01 0.65 0.20 -1.21 -0.54 0.00 0.00 175.26 174.37 2rmx s GLU 99 N -1.17 3.28 0.10 4.30 0.41 0.11 -4.96 118.70 120.75 2rmx s GLU 99 Ca 0.16 -0.58 -0.34 0.00 -0.41 0.00 0.00 54.97 53.79 2rmx s GLU 99 Cb -0.11 -2.92 -0.15 0.00 -1.78 0.00 0.00 34.13 29.17 2rmx s GLU 99 CO 0.06 0.56 1.57 0.00 -0.49 0.00 0.00 175.26 176.96 2rmx h ALA 100 N 2.78 -1.00 -1.29 5.21 0.00 -2.00 -3.24 119.26 119.71 2rmx h ALA 100 Ca -0.47 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2rmx h ALA 100 Cb 1.17 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2rmx h ALA 100 CO 0.71 -1.11 0.00 0.43 0.00 0.00 0.00 179.25 179.27 2rmx n SER 101 N -5.52 0.00 0.00 0.00 7.64 -1.26 -4.82 113.62 109.66 2rmx n SER 101 Ca -0.10 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2rmx n SER 101 Cb 0.43 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.95 0.00 3.68 0.23 0.00 -1.22 -5.17 105.19 101.76 2rmx n GLY 102 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.23 -0.19 4.61 0.00 -1.26 -4.96 121.76 123.20 2rmx s ALA 103 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2rmx s ALA 103 Cb 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.18 2rmx s ALA 103 CO 0.00 0.43 -0.06 -0.06 0.00 0.00 0.00 175.76 176.06 2rmx s PHE 104 N -1.87 2.00 -0.00 0.00 0.08 -1.26 0.05 117.98 116.98 2rmx s PHE 104 Ca 0.29 -1.33 -0.25 0.00 0.12 0.00 0.00 56.93 55.75 2rmx s PHE 104 Cb -0.09 -1.44 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 2rmx s PHE 104 CO 0.19 -0.68 0.77 0.08 -0.10 0.00 0.00 175.22 175.49 2rmx s VAL 105 N 1.53 4.87 -0.08 -0.44 1.01 -0.02 -4.95 120.40 122.33 2rmx s VAL 105 Ca -0.01 1.62 0.05 0.00 0.00 0.00 0.00 61.98 63.65 2rmx s VAL 105 Cb -0.16 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2rmx s VAL 105 CO -0.08 0.29 -0.24 -0.31 0.00 0.00 0.00 175.10 174.76 2rmx s TYR 106 N 0.42 2.47 -0.53 5.22 2.02 -1.26 -1.99 117.35 123.71 2rmx s TYR 106 Ca 0.40 -0.86 -0.06 0.00 -0.37 0.00 0.00 57.07 56.18 2rmx s TYR 106 Cb -0.20 -1.64 0.14 0.00 -0.40 0.00 0.00 41.96 39.86 2rmx s TYR 106 CO 0.22 -0.31 0.37 -0.51 -1.57 0.00 0.00 175.55 173.75 2rmx s LEU 107 N 0.07 5.54 -0.20 -1.29 1.02 -1.26 -4.14 118.68 118.41 2rmx s LEU 107 Ca -0.10 -2.27 -0.12 0.00 0.02 0.00 0.00 54.13 51.65 2rmx s LEU 107 Cb -0.16 -1.94 -0.19 0.00 0.02 0.00 0.00 46.19 43.92 2rmx s LEU 107 CO 0.06 -0.56 0.07 0.54 0.02 0.00 0.00 176.35 176.49 2rmx n ARG 108 N 4.36 0.64 -3.84 1.70 1.74 -0.95 -4.59 116.66 115.71 2rmx n ARG 108 Ca -0.00 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.31 2rmx n ARG 108 Cb 0.41 -1.65 -0.12 0.00 -1.02 0.00 0.00 32.46 30.08 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 -2.47 0.25 0.00 5.56 0.00 -1.16 -5.09 119.66 116.75 2rmx s GLN 109 Ca -0.30 0.01 0.00 0.00 -0.00 0.00 0.00 55.36 55.07 2rmx s GLN 109 Cb 0.08 0.11 0.00 0.00 0.00 0.00 0.00 33.01 33.20 2rmx s GLN 109 CO 0.62 -0.04 0.00 -0.35 0.00 0.00 0.00 175.29 175.52 2rmx n PRO 110 N 2.56 -0.17 -3.65 9.60 -0.04 -1.26 -2.67 135.00 139.37 2rmx n PRO 110 Ca -0.15 0.00 -0.27 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 -0.57 0.56 0.27 0.54 5.04 -0.82 -4.57 117.35 117.80 2rmx s TYR 111 Ca 0.00 -0.65 -0.03 0.00 -2.44 0.00 0.00 57.07 53.95 2rmx s TYR 111 Cb 0.00 -0.89 -0.05 0.00 0.35 0.00 0.00 41.96 41.38 2rmx s TYR 111 CO 0.00 -0.61 0.51 0.71 -1.34 0.00 0.00 175.55 174.82 2rmx s TYR 112 N 2.01 3.48 0.10 4.97 2.02 -1.26 -4.90 117.35 123.77 2rmx s TYR 112 Ca 0.03 0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 57.22 2rmx s TYR 112 Cb -0.16 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.34 2rmx s TYR 112 CO -0.14 0.23 0.30 0.45 -1.57 0.00 0.00 175.55 174.82 2rmx s SER 113 N -3.25 6.44 0.00 2.29 0.15 -1.26 -4.98 113.70 113.08 2rmx s SER 113 Ca 0.42 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2rmx s SER 113 Cb -0.11 -2.04 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2rmx s SER 113 CO 0.30 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.47 2rmx n GLY 114 N 0.26 2.20 3.77 9.45 0.00 -1.26 -4.98 105.19 114.62 2rmx n GLY 114 Ca -0.04 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.28 3.77 -1.05 1.61 0.04 -1.26 -4.98 135.00 129.84 2rmx s PRO 115 Ca 0.00 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 2rmx s PRO 115 Cb 0.00 -2.42 0.27 0.00 0.04 0.00 0.00 34.50 32.39 2rmx s PRO 115 CO 0.00 -0.54 1.07 0.43 0.04 0.00 0.00 177.00 178.00 2rmx n SER 116 N -0.46 5.27 -4.43 6.66 7.64 -1.26 -4.99 113.62 122.05 2rmx n SER 116 Ca 0.07 -3.11 -0.44 0.00 1.01 0.00 0.00 58.87 56.40 2rmx n SER 116 Cb 0.48 -1.28 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 2rmx n SER 116 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2rmx s SER 117 N 0.54 6.48 0.00 6.43 0.15 -1.26 -5.36 113.70 120.68 2rmx s SER 117 Ca 0.30 -1.79 0.00 0.00 0.70 0.00 0.00 55.95 55.17 2rmx s SER 117 Cb -0.07 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 2rmx s SER 117 CO -0.07 -1.12 0.12 0.61 1.20 0.00 0.00 173.24 173.99