#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnf n GLN 1 N 0.00 0.18 -0.00 3.17 3.00 -1.26 -1.54 117.38 120.93 1rnf n GLN 1 Ca 0.00 0.51 -0.10 0.00 -0.01 0.00 0.00 57.00 57.39 1rnf n GLN 1 Cb 0.00 -1.91 -0.14 0.00 0.00 0.00 0.00 30.24 28.19 1rnf n GLN 1 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1rnf h ASP 2 N 0.00 0.08 0.23 1.08 3.32 -1.98 -1.24 116.42 117.91 1rnf h ASP 2 Ca 0.00 -0.15 -0.19 0.00 0.02 0.00 0.00 57.03 56.70 1rnf h ASP 2 Cb 0.23 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1rnf h ASP 2 CO 0.00 1.13 -0.77 1.23 -1.72 0.00 0.00 179.24 179.12 1rnf h GLY 3 N 3.02 0.49 1.33 2.75 0.00 -1.87 -2.22 103.07 106.56 1rnf h GLY 3 Ca -0.26 -0.73 -0.18 0.00 0.00 0.00 0.00 47.33 46.16 1rnf h GLY 3 CO 0.09 0.64 -0.60 -0.33 0.00 0.00 0.00 176.54 176.35 1rnf h MET 4 N 0.30 0.69 -0.51 4.80 2.86 -1.36 -2.24 114.93 119.48 1rnf h MET 4 Ca -0.04 -0.47 -0.10 0.00 -2.06 0.00 0.00 59.70 57.03 1rnf h MET 4 Cb 1.36 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.07 1rnf h MET 4 CO 0.14 1.09 -0.10 -0.92 1.06 0.00 0.00 176.91 178.18 1rnf h TYR 5 N 0.52 1.04 -0.43 -0.22 3.20 -1.21 -1.85 116.97 118.02 1rnf h TYR 5 Ca -0.00 -0.20 -0.13 0.00 3.14 0.00 0.00 58.73 61.53 1rnf h TYR 5 Cb 1.18 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1rnf h TYR 5 CO 0.06 0.97 -0.25 1.96 -1.64 0.00 0.00 178.16 179.27 1rnf h GLN 6 N 0.84 0.93 -0.13 1.82 1.08 -1.34 -2.18 115.11 116.13 1rnf h GLN 6 Ca 0.14 -0.42 -0.07 0.00 -1.45 0.00 0.00 58.65 56.84 1rnf h GLN 6 Cb 0.63 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.03 1rnf h GLN 6 CO 0.04 1.08 -0.24 -0.09 -0.95 0.00 0.00 178.83 178.68 1rnf h ARG 7 N 0.76 0.24 -0.44 1.46 2.43 -1.33 -2.10 114.38 115.39 1rnf h ARG 7 Ca 0.09 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1rnf h ARG 7 Cb 0.83 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 1rnf h ARG 7 CO 0.07 0.47 0.04 0.35 -1.51 0.00 0.00 179.97 179.38 1rnf h PHE 8 N 0.22 0.81 -0.07 2.20 3.57 -1.10 -1.17 116.94 121.40 1rnf h PHE 8 Ca 0.04 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 1rnf h PHE 8 Cb 0.54 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1rnf h PHE 8 CO 0.01 0.78 0.00 -0.07 -2.23 0.00 0.00 178.31 176.81 1rnf h LEU 9 N 0.60 0.11 -1.09 0.59 3.38 -1.15 0.11 115.31 117.87 1rnf h LEU 9 Ca 0.13 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1rnf h LEU 9 Cb 0.44 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1rnf h LEU 9 CO 0.02 0.38 0.62 -0.09 0.09 0.00 0.00 178.44 179.45 1rnf h ARG 10 N -0.16 1.17 0.12 1.13 2.43 -1.34 -1.57 114.38 116.16 1rnf h ARG 10 Ca 0.02 -0.07 -0.30 0.00 -0.81 0.00 0.00 59.98 58.82 1rnf h ARG 10 Cb 0.32 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1rnf h ARG 10 CO 0.00 0.77 -1.50 1.96 -1.51 0.00 0.00 179.97 179.69 1rnf h GLN 11 N 1.20 0.25 0.00 0.20 4.20 -1.04 -3.43 115.11 116.50 1rnf h GLN 11 Ca 0.37 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1rnf h GLN 11 Cb -0.03 0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1rnf h GLN 11 CO -0.10 1.12 0.00 0.72 -0.67 0.00 0.00 178.83 179.89 1rnf n HIS 12 N -3.46 0.00 -4.50 2.96 8.25 0.38 -4.75 115.22 114.11 1rnf n HIS 12 Ca -0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.97 1rnf n HIS 12 Cb 1.04 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 32.02 1rnf n HIS 12 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1rnf s VAL 13 N -0.55 3.47 -0.48 1.59 1.01 -0.59 0.19 120.40 125.04 1rnf s VAL 13 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1rnf s VAL 13 Cb 0.00 -2.50 0.18 0.00 0.00 0.00 0.00 36.38 34.06 1rnf s VAL 13 CO 0.00 0.50 0.61 -2.28 0.00 0.00 0.00 175.10 173.92 1rnf s HIS 14 N 0.50 -0.90 0.24 5.22 2.46 -0.23 -4.82 115.29 117.76 1rnf s HIS 14 Ca -0.06 -0.94 -0.01 0.00 0.47 0.00 0.00 55.06 54.52 1rnf s HIS 14 Cb -0.15 -0.02 0.28 0.00 -0.13 0.00 0.00 32.58 32.56 1rnf s HIS 14 CO 0.03 -1.14 1.66 -1.35 -2.47 0.00 0.00 174.74 171.47 1rnf h PRO 15 N 5.45 0.63 -0.29 2.88 0.11 -1.70 -3.32 132.00 135.75 1rnf h PRO 15 Ca 0.11 -0.25 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 1rnf h PRO 15 Cb 1.06 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1rnf h PRO 15 CO 0.12 0.82 0.10 1.05 -0.21 0.00 0.00 178.00 179.88 1rnf h GLU 16 N 0.55 0.41 -6.26 1.05 9.09 -1.94 -3.42 114.58 114.06 1rnf h GLU 16 Ca 0.08 -0.05 -0.47 0.00 0.05 0.00 0.00 59.36 58.96 1rnf h GLU 16 Cb 0.72 -0.08 -0.02 0.00 -1.65 0.00 0.00 28.75 27.73 1rnf h GLU 16 CO 0.06 0.35 -0.33 -2.00 0.05 0.00 0.00 179.01 177.14 1rnf s GLU 17 N -5.18 2.60 0.00 1.06 2.56 -1.25 -5.04 118.70 113.45 1rnf s GLU 17 Ca -0.07 -1.47 0.04 0.00 0.00 0.00 0.00 54.97 53.47 1rnf s GLU 17 Cb 0.17 -2.49 -0.04 0.00 2.00 0.00 0.00 34.13 33.77 1rnf s GLU 17 CO 0.73 -0.25 0.21 0.25 -0.56 0.00 0.00 175.26 175.64 1rnf n THR 18 N -1.66 0.00 -0.07 -1.70 -2.24 -1.26 -4.80 114.28 102.54 1rnf n THR 18 Ca 0.05 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1rnf n THR 18 Cb 0.61 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1rnf n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rnf n GLY 19 N 1.03 2.80 1.37 3.38 0.00 -1.26 -4.89 105.19 107.62 1rnf n GLY 19 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1rnf n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rnf n GLY 20 N 0.00 0.62 3.14 -0.02 0.00 -1.26 -5.02 105.19 102.64 1rnf n GLY 20 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 1rnf n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rnf s SER 21 N -2.33 0.71 0.20 1.61 1.04 -1.26 -4.67 113.70 109.00 1rnf s SER 21 Ca 0.00 -1.06 -0.11 0.00 0.48 0.00 0.00 55.95 55.26 1rnf s SER 21 Cb 0.00 0.18 0.14 0.00 0.10 0.00 0.00 66.02 66.44 1rnf s SER 21 CO 0.00 -0.58 1.87 0.44 0.98 0.00 0.00 173.24 175.95 1rnf h ASP 22 N 3.00 0.83 -0.71 7.02 3.32 -1.86 -2.43 116.42 125.59 1rnf h ASP 22 Ca -0.35 -0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.70 1rnf h ASP 22 Cb 1.16 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 1rnf h ASP 22 CO 0.64 0.61 0.47 -0.09 -1.72 0.00 0.00 179.24 179.15 1rnf h ARG 23 N 0.97 0.87 -0.57 3.56 9.65 -1.96 -0.32 114.38 126.57 1rnf h ARG 23 Ca 0.26 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 59.01 1rnf h ARG 23 Cb -0.10 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.26 1rnf h ARG 23 CO -0.05 0.58 0.04 -0.92 2.80 0.00 0.00 179.97 182.41 1rnf h TYR 24 N 0.90 1.02 -0.11 2.20 3.20 -1.84 -2.03 116.97 120.31 1rnf h TYR 24 Ca 0.28 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1rnf h TYR 24 Cb -0.00 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 37.99 1rnf h TYR 24 CO -0.00 0.90 -0.07 0.00 -1.64 0.00 0.00 178.16 177.34 1rnf h ASN 26 N -0.14 0.66 0.00 0.00 2.35 -1.00 -0.08 115.58 117.37 1rnf h ASN 26 Ca 0.02 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1rnf h ASN 26 Cb 0.55 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1rnf h ASN 26 CO 0.02 0.42 -0.00 -0.07 -1.65 0.00 0.00 177.43 176.15 1rnf h LEU 27 N 0.74 -0.00 -0.81 1.61 4.07 -1.29 -3.30 115.31 116.33 1rnf h LEU 27 Ca 0.32 -0.60 -0.08 0.00 0.08 0.00 0.00 57.88 57.61 1rnf h LEU 27 Cb 0.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1rnf h LEU 27 CO -0.11 0.80 0.06 0.24 -1.08 0.00 0.00 178.44 178.35 1rnf h MET 28 N -1.00 0.95 -0.27 1.13 2.86 -1.02 -0.42 114.93 117.16 1rnf h MET 28 Ca -0.00 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1rnf h MET 28 Cb 0.60 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1rnf h MET 28 CO 0.00 0.90 0.09 0.52 1.06 0.00 0.00 176.91 179.49 1rnf h MET 29 N 0.89 0.38 0.02 1.72 2.86 -1.18 -0.03 114.93 119.60 1rnf h MET 29 Ca 0.18 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1rnf h MET 29 Cb 0.44 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.03 1rnf h MET 29 CO 0.02 0.34 -0.22 0.37 1.06 0.00 0.00 176.91 178.48 1rnf h GLN 30 N 0.38 0.11 -0.53 1.72 4.15 -1.55 -0.38 115.11 119.00 1rnf h GLN 30 Ca 0.10 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1rnf h GLN 30 Cb 0.11 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1rnf h GLN 30 CO -0.01 0.98 0.31 -0.09 -1.93 0.00 0.00 178.83 178.09 1rnf h ARG 31 N -0.70 0.72 -0.32 1.69 2.43 -0.89 -1.89 114.38 115.42 1rnf h ARG 31 Ca -0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1rnf h ARG 31 Cb 1.08 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1rnf h ARG 31 CO 0.04 0.52 0.00 0.54 -1.51 0.00 0.00 179.97 179.56 1rnf n ARG 32 N -4.41 1.72 -2.40 0.20 5.12 -0.04 -4.92 116.66 111.92 1rnf n ARG 32 Ca 0.05 -1.09 -0.13 0.00 -1.93 0.00 0.00 57.85 54.75 1rnf n ARG 32 Cb 0.09 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1rnf n ARG 32 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1rnf n LYS 33 N 0.38 -1.68 -0.39 5.56 4.01 -0.71 -4.76 118.16 120.57 1rnf n LYS 33 Ca 0.10 0.60 0.11 0.00 -0.51 0.00 0.00 58.31 58.61 1rnf n LYS 33 Cb 0.26 -4.79 0.31 0.00 -0.51 0.00 0.00 35.03 30.31 1rnf n LYS 33 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 1rnf n MET 34 N -2.40 2.90 -0.39 1.97 2.81 -0.16 -4.11 117.12 117.74 1rnf n MET 34 Ca -0.13 -2.64 0.05 0.00 -1.81 0.00 0.00 57.70 53.17 1rnf n MET 34 Cb 0.60 -1.59 0.07 0.00 -0.71 0.00 0.00 33.22 31.59 1rnf n MET 34 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1rnf n THR 35 N 1.45 0.88 0.14 2.03 -2.24 -1.24 -2.79 114.28 112.50 1rnf n THR 35 Ca 0.23 -1.14 -0.14 0.00 -2.27 0.00 0.00 64.05 60.74 1rnf n THR 35 Cb 0.65 0.19 -0.08 0.00 -2.10 0.00 0.00 70.33 68.99 1rnf n THR 35 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1rnf h LEU 36 N 0.10 -1.26 0.00 3.22 5.85 -1.90 -3.38 115.31 117.95 1rnf h LEU 36 Ca -0.01 0.12 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1rnf h LEU 36 Cb 1.25 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1rnf h LEU 36 CO 0.01 -0.49 -1.50 -1.22 -0.34 0.00 0.00 178.44 174.90 1rnf n TYR 37 N -4.94 0.00 -3.79 1.25 4.01 -1.26 -4.78 117.16 107.65 1rnf n TYR 37 Ca -0.08 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.55 1rnf n TYR 37 Cb 0.35 -0.30 -0.08 0.00 -0.31 0.00 0.00 39.34 39.00 1rnf n TYR 37 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1rnf s HIS 38 N -2.47 -0.04 -0.46 -0.72 2.46 -1.26 -4.74 115.29 108.05 1rnf s HIS 38 Ca -0.04 -0.12 -0.27 0.00 0.47 0.00 0.00 55.06 55.10 1rnf s HIS 38 Cb 0.05 0.04 0.03 0.00 -0.13 0.00 0.00 32.58 32.57 1rnf s HIS 38 CO 0.38 -0.46 1.04 0.00 -2.47 0.00 0.00 174.74 173.22 1rnf n LYS 40 N 7.48 2.35 -0.18 0.00 4.81 -1.12 -4.86 118.16 126.64 1rnf n LYS 40 Ca 0.09 0.85 -0.09 0.00 -0.87 0.00 0.00 58.31 58.30 1rnf n LYS 40 Cb 0.49 -2.65 0.01 0.00 0.02 0.00 0.00 35.03 32.90 1rnf n LYS 40 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1rnf h ARG 41 N 6.45 0.82 -3.22 1.64 2.43 -1.93 -3.40 114.38 117.17 1rnf h ARG 41 Ca -0.45 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 58.36 1rnf h ARG 41 Cb 1.24 -0.11 -0.25 0.00 -0.42 0.00 0.00 29.97 30.43 1rnf h ARG 41 CO 0.91 0.79 -0.46 0.12 -1.51 0.00 0.00 179.97 179.82 1rnf s PHE 42 N -5.30 -0.22 -0.05 2.20 5.36 -1.26 -0.57 117.98 118.13 1rnf s PHE 42 Ca -0.13 0.54 -0.19 0.00 -0.96 0.00 0.00 56.93 56.19 1rnf s PHE 42 Cb 0.12 0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.91 1rnf s PHE 42 CO 0.80 -0.13 0.43 1.21 -1.46 0.00 0.00 175.22 176.07 1rnf s ASN 43 N 0.01 -0.36 -0.01 6.13 2.47 -0.43 -5.00 114.94 117.74 1rnf s ASN 43 Ca -0.01 0.41 0.07 0.00 0.42 0.00 0.00 52.86 53.75 1rnf s ASN 43 Cb -0.02 0.49 -0.02 0.00 -1.45 0.00 0.00 41.25 40.25 1rnf s ASN 43 CO 0.00 -0.43 -0.22 -0.89 -3.72 0.00 0.00 177.10 171.84 1rnf s THR 44 N -0.98 2.40 -0.10 -5.21 2.01 -1.26 0.18 115.64 112.68 1rnf s THR 44 Ca -0.10 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.84 1rnf s THR 44 Cb -0.04 -1.90 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1rnf s THR 44 CO 0.05 0.52 -0.12 -0.36 -0.69 0.00 0.00 174.62 174.02 1rnf s PHE 45 N -0.71 2.82 -0.20 4.92 0.08 0.41 -4.39 117.98 120.91 1rnf s PHE 45 Ca 0.11 -0.37 -0.09 0.00 0.12 0.00 0.00 56.93 56.70 1rnf s PHE 45 Cb -0.10 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1rnf s PHE 45 CO 0.01 0.00 0.10 0.42 -0.10 0.00 0.00 175.22 175.65 1rnf s ILE 46 N -0.13 5.07 -1.01 0.64 1.01 0.50 -2.03 121.20 125.25 1rnf s ILE 46 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1rnf s ILE 46 Cb -0.13 -3.31 0.30 0.00 0.01 0.00 0.00 42.46 39.32 1rnf s ILE 46 CO 0.03 0.43 1.36 1.41 0.00 0.00 0.00 174.94 178.18 1rnf n HIS 47 N 3.70 2.46 -4.02 3.97 8.25 -0.12 -1.07 115.22 128.39 1rnf n HIS 47 Ca -0.16 -2.83 -0.09 0.00 -0.26 0.00 0.00 57.72 54.38 1rnf n HIS 47 Cb 0.52 -1.14 -0.09 0.00 1.12 0.00 0.00 29.99 30.41 1rnf n HIS 47 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1rnf s GLU 48 N -2.76 0.87 0.38 -0.41 0.41 -1.26 -4.62 118.70 111.31 1rnf s GLU 48 Ca 0.33 -1.20 -0.27 0.00 -0.41 0.00 0.00 54.97 53.42 1rnf s GLU 48 Cb 0.07 0.29 -0.09 0.00 -1.78 0.00 0.00 34.13 32.61 1rnf s GLU 48 CO 0.09 -0.26 1.26 -0.51 -0.49 0.00 0.00 175.26 175.35 1rnf s ASP 49 N -2.95 6.52 0.45 -0.19 1.01 -1.26 -3.90 116.67 116.35 1rnf s ASP 49 Ca 0.13 2.57 0.22 0.00 0.71 0.00 0.00 52.55 56.18 1rnf s ASP 49 Cb 0.06 -2.63 1.20 0.00 1.01 0.00 0.00 42.92 42.56 1rnf s ASP 49 CO -0.05 -0.70 1.85 0.40 0.21 0.00 0.00 175.17 176.88 1rnf h ILE 50 N 2.60 0.61 0.00 0.77 2.04 -1.99 0.20 117.51 121.74 1rnf h ILE 50 Ca -0.49 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 1rnf h ILE 50 Cb 1.24 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1rnf h ILE 50 CO 0.63 0.05 -0.35 -0.50 0.00 0.00 0.00 178.15 177.98 1rnf h TRP 51 N 0.29 0.00 -0.15 1.37 4.06 -1.98 -1.69 115.95 117.85 1rnf h TRP 51 Ca 0.48 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 61.28 1rnf h TRP 51 Cb 1.40 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.55 1rnf h TRP 51 CO -0.00 0.29 -0.55 -0.91 -3.56 0.00 0.00 178.44 173.71 1rnf h ASN 52 N 0.00 0.51 0.36 -3.49 2.35 -0.99 -2.29 115.58 112.03 1rnf h ASN 52 Ca -0.01 -0.28 -0.29 0.00 -0.55 0.00 0.00 56.30 55.18 1rnf h ASN 52 Cb 1.23 -0.15 0.02 0.00 0.05 0.00 0.00 38.32 39.47 1rnf h ASN 52 CO 0.04 0.96 -1.25 0.40 -1.65 0.00 0.00 177.43 175.93 1rnf h ILE 53 N 0.35 1.37 0.00 2.81 2.04 -1.33 -3.20 117.51 119.55 1rnf h ILE 53 Ca 0.01 -2.71 -0.04 0.00 1.00 0.00 0.00 64.86 63.12 1rnf h ILE 53 Cb 1.08 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.96 1rnf h ILE 53 CO 0.10 0.81 -0.18 0.03 0.00 0.00 0.00 178.15 178.91 1rnf h ARG 54 N 0.18 0.00 0.00 2.37 3.08 -1.32 -2.07 114.38 116.62 1rnf h ARG 54 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1rnf h ARG 54 Cb 1.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.98 1rnf h ARG 54 CO 0.22 0.18 0.00 1.03 -1.07 0.00 0.00 179.97 180.33 1rnf h SER 55 N 0.00 0.00 0.76 7.04 0.87 -1.41 -2.75 113.55 118.06 1rnf h SER 55 Ca -0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1rnf h SER 55 Cb 0.59 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1rnf h SER 55 CO 0.02 0.00 -0.42 0.40 -0.53 0.00 0.00 176.83 176.30 1rnf h ILE 56 N 0.00 1.01 0.00 2.23 2.04 -1.39 -2.81 117.51 118.59 1rnf h ILE 56 Ca 0.00 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 1rnf h ILE 56 Cb 0.56 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1rnf h ILE 56 CO 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 178.15 178.55 1rnf n SER 58 N -3.54 1.33 -4.88 0.00 7.64 -1.06 -4.91 113.62 108.20 1rnf n SER 58 Ca -0.03 -1.42 -0.30 0.00 1.01 0.00 0.00 58.87 58.13 1rnf n SER 58 Cb 0.09 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.37 1rnf n SER 58 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1rnf s THR 59 N -2.02 2.78 0.55 0.44 -4.23 -0.85 -4.98 115.64 107.33 1rnf s THR 59 Ca 0.38 0.25 -0.19 0.00 -1.18 0.00 0.00 61.69 60.96 1rnf s THR 59 Cb 0.21 -3.22 -0.08 0.00 1.34 0.00 0.00 72.50 70.75 1rnf s THR 59 CO 0.35 -0.33 0.72 0.41 -0.54 0.00 0.00 174.62 175.22 1rnf n THR 60 N -3.20 2.70 -2.63 3.99 -1.04 -1.26 -4.93 114.28 107.90 1rnf n THR 60 Ca 0.07 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.19 1rnf n THR 60 Cb 0.59 -0.87 -0.05 0.00 -1.82 0.00 0.00 70.33 68.17 1rnf n THR 60 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1rnf s ASN 61 N -1.13 7.35 0.19 8.00 0.02 -1.26 -4.68 114.94 123.43 1rnf s ASN 61 Ca 0.70 2.05 0.01 0.00 -1.02 0.00 0.00 52.86 54.61 1rnf s ASN 61 Cb -0.46 -2.61 -0.05 0.00 0.02 0.00 0.00 41.25 38.15 1rnf s ASN 61 CO 0.53 -0.07 0.04 0.27 0.02 0.00 0.00 177.10 177.88 1rnf s ILE 62 N -1.31 0.57 0.20 0.60 -4.36 -0.45 -5.00 121.20 111.46 1rnf s ILE 62 Ca 0.46 -1.98 -0.30 0.00 -0.26 0.00 0.00 60.65 58.57 1rnf s ILE 62 Cb -0.26 -2.26 -0.08 0.00 1.25 0.00 0.00 42.46 41.10 1rnf s ILE 62 CO 0.33 -0.33 1.13 -1.58 0.24 0.00 0.00 174.94 174.72 1rnf s GLN 63 N -3.97 4.58 0.70 0.37 0.74 -1.26 -2.99 119.66 117.83 1rnf s GLN 63 Ca 0.28 1.78 -0.07 0.00 0.05 0.00 0.00 55.36 57.40 1rnf s GLN 63 Cb 0.07 -3.25 0.06 0.00 1.10 0.00 0.00 33.01 30.99 1rnf s GLN 63 CO 0.07 0.06 1.01 0.00 -0.55 0.00 0.00 175.29 175.88 1rnf h LYS 65 N -0.59 0.00 -0.31 0.00 1.57 -1.95 -2.65 116.57 112.64 1rnf h LYS 65 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1rnf h LYS 65 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1rnf h LYS 65 CO 0.60 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.75 1rnf n ASN 66 N -3.05 2.66 0.00 0.86 0.23 -1.26 -4.97 115.26 109.73 1rnf n ASN 66 Ca -0.01 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 52.16 1rnf n ASN 66 Cb 0.21 -0.20 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1rnf n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rnf n GLY 67 N 1.33 3.01 3.70 4.83 0.00 -1.00 -5.06 105.19 112.00 1rnf n GLY 67 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1rnf n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rnf s LYS 68 N -0.05 1.31 -0.30 1.61 1.02 -1.26 -4.68 119.74 117.38 1rnf s LYS 68 Ca 0.00 1.28 0.08 0.00 0.02 0.00 0.00 55.97 57.35 1rnf s LYS 68 Cb 0.00 -1.78 0.48 0.00 -0.52 0.00 0.00 37.83 36.00 1rnf s LYS 68 CO 0.00 -2.34 1.40 -1.33 -0.92 0.00 0.00 175.35 172.16 1rnf n MET 69 N -4.01 2.24 -1.34 1.68 2.81 -1.26 -1.03 117.12 116.21 1rnf n MET 69 Ca 0.10 -3.44 -0.22 0.00 -1.81 0.00 0.00 57.70 52.32 1rnf n MET 69 Cb 0.53 -1.91 0.11 0.00 -0.71 0.00 0.00 33.22 31.24 1rnf n MET 69 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1rnf n ASN 70 N -1.02 5.00 -4.70 7.83 6.94 -1.26 -4.37 115.26 123.68 1rnf n ASN 70 Ca 0.35 -3.76 -0.23 0.00 -0.02 0.00 0.00 54.58 50.93 1rnf n ASN 70 Cb 0.93 -0.72 -0.06 0.00 -2.36 0.00 0.00 39.78 37.57 1rnf n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rnf s HIS 72 N -2.27 0.09 0.17 0.00 3.76 -0.10 -1.34 115.29 115.60 1rnf s HIS 72 Ca 0.32 -0.46 0.08 0.00 -0.15 0.00 0.00 55.06 54.84 1rnf s HIS 72 Cb -0.07 -0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.56 1rnf s HIS 72 CO 0.22 -0.54 -0.16 -1.83 -0.85 0.00 0.00 174.74 171.58 1rnf s GLU 73 N -3.60 1.25 -0.06 1.40 -1.05 -1.26 -1.29 118.70 114.09 1rnf s GLU 73 Ca 0.03 -1.46 -0.30 0.00 -0.15 0.00 0.00 54.97 53.09 1rnf s GLU 73 Cb 0.03 -1.16 0.09 0.00 -0.44 0.00 0.00 34.13 32.65 1rnf s GLU 73 CO -0.10 0.21 0.76 0.20 0.95 0.00 0.00 175.26 177.29 1rnf s GLY 74 N -2.92 -0.50 -0.33 -3.83 0.00 -0.81 -4.96 107.32 93.96 1rnf s GLY 74 Ca 0.18 1.42 -0.14 0.00 0.00 0.00 0.00 44.72 46.18 1rnf s GLY 74 CO 0.06 0.89 0.32 0.14 0.00 0.00 0.00 173.10 174.52 1rnf s VAL 75 N -1.43 5.20 0.10 1.40 1.01 -1.26 -0.39 120.40 125.03 1rnf s VAL 75 Ca -0.07 0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1rnf s VAL 75 Cb -0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1rnf s VAL 75 CO 0.05 -0.03 -0.06 0.68 0.00 0.00 0.00 175.10 175.74 1rnf s VAL 76 N 1.94 0.66 0.04 2.92 -7.23 -0.20 -4.87 120.40 113.66 1rnf s VAL 76 Ca 0.10 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 1rnf s VAL 76 Cb -0.17 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 35.05 1rnf s VAL 76 CO 0.11 -0.88 1.20 -0.54 -0.31 0.00 0.00 175.10 174.68 1rnf s LYS 77 N -3.84 4.42 0.22 4.82 1.02 -1.26 -1.34 119.74 123.76 1rnf s LYS 77 Ca 0.12 1.76 -0.02 0.00 0.02 0.00 0.00 55.97 57.84 1rnf s LYS 77 Cb 0.05 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 1rnf s LYS 77 CO -0.05 -0.29 0.19 0.14 -0.92 0.00 0.00 175.35 174.42 1rnf s VAL 78 N 1.28 0.00 -0.07 3.17 -7.23 0.44 -0.94 120.40 117.05 1rnf s VAL 78 Ca 0.58 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1rnf s VAL 78 Cb -0.29 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.22 1rnf s VAL 78 CO 0.28 0.00 0.00 -0.89 -0.31 0.00 0.00 175.10 174.18 1rnf s THR 79 N -4.09 0.39 -0.20 5.32 2.01 -0.86 -2.64 115.64 115.57 1rnf s THR 79 Ca 0.37 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.36 1rnf s THR 79 Cb 0.06 -0.55 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 1rnf s THR 79 CO 0.13 0.26 0.21 -1.81 -0.69 0.00 0.00 174.62 172.71 1rnf s ASP 80 N 1.97 6.26 -0.17 3.53 1.01 -0.34 -0.44 116.67 128.49 1rnf s ASP 80 Ca 0.05 0.29 -0.02 0.00 0.71 0.00 0.00 52.55 53.59 1rnf s ASP 80 Cb -0.12 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 1rnf s ASP 80 CO -0.05 0.09 -0.10 0.00 0.21 0.00 0.00 175.17 175.32 1rnf s ARG 82 N 0.82 3.02 0.33 0.00 3.52 -0.74 -1.31 118.95 124.60 1rnf s ARG 82 Ca -0.03 -0.85 -0.29 0.00 -0.13 0.00 0.00 55.73 54.42 1rnf s ARG 82 Cb -0.15 -2.44 -0.12 0.00 -1.56 0.00 0.00 34.95 30.69 1rnf s ARG 82 CO 0.01 -0.02 1.50 -3.47 -0.81 0.00 0.00 175.30 172.52 1rnf n ASP 83 N 4.07 3.65 0.13 -2.12 2.03 0.26 -1.76 116.55 122.82 1rnf n ASP 83 Ca -0.20 1.19 0.09 0.00 0.52 0.00 0.00 54.79 56.39 1rnf n ASP 83 Cb 0.51 -1.58 0.04 0.00 -0.72 0.00 0.00 41.12 39.37 1rnf n ASP 83 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1rnf h THR 84 N 3.07 0.17 0.00 5.18 1.35 -1.26 -3.47 112.91 117.95 1rnf h THR 84 Ca -0.48 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.09 1rnf h THR 84 Cb 1.24 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.50 1rnf h THR 84 CO 0.71 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 1rnf n GLY 85 N 1.19 1.42 0.14 5.82 0.00 -1.26 -4.90 105.19 107.60 1rnf n GLY 85 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1rnf n GLY 85 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rnf h SER 86 N 0.00 0.36 -4.42 1.61 4.64 -1.92 -3.46 113.55 110.34 1rnf h SER 86 Ca 0.00 -0.19 -0.41 0.00 -0.47 0.00 0.00 61.79 60.72 1rnf h SER 86 Cb 0.00 -0.09 -0.14 0.00 -0.31 0.00 0.00 62.40 61.86 1rnf h SER 86 CO 0.00 0.45 -0.58 -0.94 -0.87 0.00 0.00 176.83 174.89 1rnf s SER 87 N -5.71 1.58 0.25 4.97 1.04 -1.26 -5.11 113.70 109.46 1rnf s SER 87 Ca -0.14 -1.50 0.08 0.00 0.48 0.00 0.00 55.95 54.88 1rnf s SER 87 Cb 0.08 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1rnf s SER 87 CO 0.72 -0.82 0.08 -0.13 0.98 0.00 0.00 173.24 174.07 1rnf s ARG 88 N -3.88 2.58 0.45 4.02 0.52 -1.26 -4.66 118.95 116.72 1rnf s ARG 88 Ca 0.35 -1.22 -0.22 0.00 -0.52 0.00 0.00 55.73 54.13 1rnf s ARG 88 Cb 0.06 -2.36 -0.12 0.00 0.52 0.00 0.00 34.95 33.05 1rnf s ARG 88 CO 0.16 0.39 0.59 0.00 0.02 0.00 0.00 175.30 176.46 1rnf n ALA 89 N -0.91 -1.25 1.47 2.13 0.00 -1.26 -2.00 120.51 118.68 1rnf n ALA 89 Ca -0.07 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.60 1rnf n ALA 89 Cb 0.58 -1.82 0.43 0.00 0.00 0.00 0.00 19.45 18.64 1rnf n ALA 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rnf n PRO 90 N 0.43 1.50 -2.34 0.00 -0.04 -1.26 -4.92 135.00 128.36 1rnf n PRO 90 Ca 0.11 -0.75 -0.40 0.00 -0.04 0.00 0.00 63.50 62.42 1rnf n PRO 90 Cb 0.41 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1rnf n PRO 90 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rnf n ASN 91 N -0.03 7.43 -4.73 3.54 3.02 -0.85 -5.01 115.26 118.63 1rnf n ASN 91 Ca 0.15 -3.72 -0.41 0.00 -0.03 0.00 0.00 54.58 50.57 1rnf n ASN 91 Cb 0.25 -1.14 -0.04 0.00 -0.61 0.00 0.00 39.78 38.24 1rnf n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rnf s ARG 93 N -0.05 3.04 0.27 0.00 0.52 -1.26 -4.84 118.95 116.62 1rnf s ARG 93 Ca 0.50 -0.76 0.10 0.00 -0.52 0.00 0.00 55.73 55.05 1rnf s ARG 93 Cb -0.27 -2.45 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 1rnf s ARG 93 CO 0.33 0.30 -0.16 0.71 0.02 0.00 0.00 175.30 176.50 1rnf s TYR 94 N 0.08 2.16 0.00 -0.53 1.51 -1.26 -0.70 117.35 118.61 1rnf s TYR 94 Ca -0.08 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.62 1rnf s TYR 94 Cb -0.15 -1.01 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1rnf s TYR 94 CO 0.05 0.60 -0.19 0.50 -1.11 0.00 0.00 175.55 175.40 1rnf s ARG 95 N -3.57 2.18 0.15 -0.62 6.06 -0.72 -4.73 118.95 117.71 1rnf s ARG 95 Ca 0.29 -0.90 0.10 0.00 -2.50 0.00 0.00 55.73 52.72 1rnf s ARG 95 Cb -0.03 -2.19 -0.04 0.00 0.06 0.00 0.00 34.95 32.75 1rnf s ARG 95 CO 0.13 0.57 -0.19 0.00 -2.50 0.00 0.00 175.30 173.31 1rnf s ALA 96 N -0.79 2.67 -0.04 6.12 0.00 -1.26 -1.79 121.76 126.67 1rnf s ALA 96 Ca 0.12 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1rnf s ALA 96 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.49 1rnf s ALA 96 CO 0.02 0.51 -0.02 0.42 0.00 0.00 0.00 175.76 176.70 1rnf s ILE 97 N -1.40 0.35 0.02 0.00 1.01 -0.81 -4.78 121.20 115.58 1rnf s ILE 97 Ca 0.20 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.86 1rnf s ILE 97 Cb -0.09 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1rnf s ILE 97 CO 0.11 0.19 0.00 0.00 0.00 0.00 0.00 174.94 175.23 1rnf s ALA 98 N 1.01 3.28 0.02 9.38 0.00 -1.26 -1.20 121.76 133.00 1rnf s ALA 98 Ca -0.10 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.58 1rnf s ALA 98 Cb -0.14 -1.30 0.11 0.00 0.00 0.00 0.00 23.12 21.79 1rnf s ALA 98 CO -0.01 0.66 1.22 -1.54 0.00 0.00 0.00 175.76 176.09 1rnf s SER 99 N -1.74 -0.08 -0.26 0.00 1.04 -1.08 -5.04 113.70 106.54 1rnf s SER 99 Ca 0.21 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.45 1rnf s SER 99 Cb -0.12 0.23 0.05 0.00 0.10 0.00 0.00 66.02 66.29 1rnf s SER 99 CO 0.12 -0.43 -0.08 -0.89 0.98 0.00 0.00 173.24 172.94 1rnf s THR 100 N -2.58 2.47 0.20 2.02 2.01 -1.26 -0.42 115.64 118.08 1rnf s THR 100 Ca 0.14 -1.46 -0.03 0.00 0.31 0.00 0.00 61.69 60.65 1rnf s THR 100 Cb 0.03 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.11 1rnf s THR 100 CO -0.02 0.01 0.18 0.00 -0.69 0.00 0.00 174.62 174.10 1rnf s ARG 101 N 1.18 1.22 0.06 4.92 1.70 -0.45 -4.85 118.95 122.72 1rnf s ARG 101 Ca -0.06 -1.52 -0.31 0.00 -0.47 0.00 0.00 55.73 53.37 1rnf s ARG 101 Cb -0.19 0.30 -0.06 0.00 -0.57 0.00 0.00 34.95 34.43 1rnf s ARG 101 CO -0.04 -0.41 1.24 0.50 -1.08 0.00 0.00 175.30 175.50 1rnf s ARG 102 N -4.11 4.40 0.22 3.89 3.52 -1.26 -1.03 118.95 124.58 1rnf s ARG 102 Ca 0.33 1.83 0.07 0.00 -0.13 0.00 0.00 55.73 57.82 1rnf s ARG 102 Cb 0.06 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 1rnf s ARG 102 CO 0.09 -0.31 -0.10 0.14 -0.81 0.00 0.00 175.30 174.32 1rnf s VAL 103 N 1.16 1.60 -0.08 7.11 -7.23 0.48 -4.96 120.40 118.48 1rnf s VAL 103 Ca 0.60 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.62 1rnf s VAL 103 Cb -0.31 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.48 1rnf s VAL 103 CO 0.29 -0.50 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.79 1rnf s VAL 104 N -3.06 1.05 0.10 1.32 1.01 0.40 -1.92 120.40 119.31 1rnf s VAL 104 Ca 0.25 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1rnf s VAL 104 Cb 0.01 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1rnf s VAL 104 CO 0.08 0.35 -0.12 0.27 0.00 0.00 0.00 175.10 175.67 1rnf s ILE 105 N 1.00 1.13 -0.19 2.22 -4.36 -0.41 0.47 121.20 121.06 1rnf s ILE 105 Ca -0.08 -1.60 -0.09 0.00 -0.26 0.00 0.00 60.65 58.62 1rnf s ILE 105 Cb -0.15 -1.36 -0.05 0.00 1.25 0.00 0.00 42.46 42.16 1rnf s ILE 105 CO -0.00 -0.43 0.10 0.00 0.24 0.00 0.00 174.94 174.84 1rnf s ALA 106 N -2.07 3.56 -0.02 2.27 0.00 0.16 -0.92 121.76 124.73 1rnf s ALA 106 Ca 0.05 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.35 1rnf s ALA 106 Cb -0.05 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.00 1rnf s ALA 106 CO 0.02 0.19 -0.16 0.00 0.00 0.00 0.00 175.76 175.80 1rnf s GLU 108 N -0.92 0.81 0.00 0.00 2.02 -0.21 -4.87 118.70 115.52 1rnf s GLU 108 Ca 0.12 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1rnf s GLU 108 Cb -0.11 0.24 0.00 0.00 0.10 0.00 0.00 34.13 34.37 1rnf s GLU 108 CO 0.02 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.50 1rnf n GLY 109 N -0.02 -0.64 2.63 -1.39 0.00 -1.26 -1.58 105.19 102.93 1rnf n GLY 109 Ca -0.10 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 43.94 1rnf n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1rnf s ASN 110 N -2.03 2.37 0.82 1.61 3.84 -1.26 -3.06 114.94 117.22 1rnf s ASN 110 Ca 0.00 -0.68 -0.11 0.00 0.21 0.00 0.00 52.86 52.29 1rnf s ASN 110 Cb 0.00 -0.12 0.08 0.00 -0.55 0.00 0.00 41.25 40.67 1rnf s ASN 110 CO 0.00 -0.36 1.10 -2.16 -2.79 0.00 0.00 177.10 172.88 1rnf s PRO 111 N 2.18 1.87 0.26 0.43 0.04 -1.26 -5.11 135.00 133.41 1rnf s PRO 111 Ca 0.05 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.92 1rnf s PRO 111 Cb -0.16 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 1rnf s PRO 111 CO -0.16 -1.90 1.04 -0.65 0.04 0.00 0.00 177.00 175.37 1rnf s GLN 112 N -4.88 4.72 0.05 4.56 -0.21 -1.17 -4.96 119.66 117.78 1rnf s GLN 112 Ca 0.62 1.68 0.02 0.00 0.02 0.00 0.00 55.36 57.70 1rnf s GLN 112 Cb -0.18 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 1rnf s GLN 112 CO 0.57 0.33 -0.07 0.14 -2.12 0.00 0.00 175.29 174.13 1rnf s VAL 113 N -1.15 0.56 0.08 1.09 -7.23 -0.61 -4.93 120.40 108.21 1rnf s VAL 113 Ca 0.43 -1.27 -0.31 0.00 -1.81 0.00 0.00 61.98 59.02 1rnf s VAL 113 Cb -0.30 -0.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.73 1rnf s VAL 113 CO 0.37 -0.50 1.43 -2.84 -0.31 0.00 0.00 175.10 173.26 1rnf s PRO 114 N -2.09 4.29 0.00 4.82 0.02 -1.26 -1.05 135.00 139.73 1rnf s PRO 114 Ca -0.05 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.05 1rnf s PRO 114 Cb -0.07 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1rnf s PRO 114 CO -0.01 -0.52 0.06 1.33 -0.33 0.00 0.00 177.00 177.53 1rnf n VAL 115 N 4.27 0.00 -3.62 3.83 0.24 0.17 -4.14 118.33 119.08 1rnf n VAL 115 Ca 0.13 -0.46 -0.15 0.00 -2.04 0.00 0.00 64.34 61.82 1rnf n VAL 115 Cb 0.42 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 1rnf n VAL 115 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1rnf s HIS 116 N -0.79 -0.73 -0.43 6.34 5.65 -1.10 -4.75 115.29 119.48 1rnf s HIS 116 Ca 0.00 1.69 -0.17 0.00 0.25 0.00 0.00 55.06 56.84 1rnf s HIS 116 Cb 0.00 0.29 0.03 0.00 -1.18 0.00 0.00 32.58 31.72 1rnf s HIS 116 CO 0.00 -0.42 0.41 0.12 -0.65 0.00 0.00 174.74 174.20 1rnf s PHE 117 N 0.03 3.19 -0.11 3.88 5.36 -1.26 0.36 117.98 129.44 1rnf s PHE 117 Ca -0.02 -0.51 -0.12 0.00 -0.96 0.00 0.00 56.93 55.33 1rnf s PHE 117 Cb -0.04 -2.89 -0.10 0.00 -0.34 0.00 0.00 43.02 39.66 1rnf s PHE 117 CO 0.03 -0.71 0.34 0.22 -1.46 0.00 0.00 175.22 173.64 1rnf h ASP 118 N 8.72 -0.03 0.00 6.13 3.58 -0.32 -3.48 116.42 131.02 1rnf h ASP 118 Ca -0.27 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 56.83 1rnf h ASP 118 Cb 1.11 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1rnf h ASP 118 CO 0.80 0.63 0.00 0.61 -2.88 0.00 0.00 179.24 178.40