#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rnf h GLN 1 N 0.00 0.00 0.00 3.17 7.50 -1.97 0.05 115.11 123.86 2rnf h GLN 1 Ca 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.00 2rnf h GLN 1 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 2rnf h GLN 1 CO 0.00 0.02 -1.10 -0.44 -1.50 0.00 0.00 178.83 175.80 2rnf h ASP 2 N 0.00 0.00 0.63 1.46 5.19 -1.98 -2.34 116.42 119.38 2rnf h ASP 2 Ca -0.00 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 2rnf h ASP 2 Cb 0.37 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 2rnf h ASP 2 CO 0.00 0.55 -1.51 1.23 -3.12 0.00 0.00 179.24 176.40 2rnf h GLY 3 N 3.63 0.00 2.00 2.75 0.00 -1.87 -3.10 103.07 106.48 2rnf h GLY 3 Ca -0.10 -0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 2rnf h GLY 3 CO 0.05 0.01 -0.62 -0.33 0.00 0.00 0.00 176.54 175.65 2rnf h MET 4 N 0.00 0.00 0.00 4.80 2.86 -1.11 -2.75 114.93 118.74 2rnf h MET 4 Ca -0.21 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.19 2rnf h MET 4 Cb 1.95 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.63 2rnf h MET 4 CO 0.09 0.62 -0.97 -0.92 1.06 0.00 0.00 176.91 176.80 2rnf h TYR 5 N 0.00 0.97 -0.50 -0.22 3.20 -1.51 -2.00 116.97 116.90 2rnf h TYR 5 Ca -0.01 -0.53 -0.11 0.00 3.14 0.00 0.00 58.73 61.22 2rnf h TYR 5 Cb 1.40 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 2rnf h TYR 5 CO 0.00 1.36 -0.13 1.96 -1.64 0.00 0.00 178.16 179.71 2rnf h GLN 6 N 0.30 0.98 -0.66 1.82 1.08 -1.57 -1.59 115.11 115.47 2rnf h GLN 6 Ca -0.12 -0.38 -0.05 0.00 -1.45 0.00 0.00 58.65 56.65 2rnf h GLN 6 Cb 1.63 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.98 2rnf h GLN 6 CO 0.19 1.05 0.22 -0.09 -0.95 0.00 0.00 178.83 179.25 2rnf h ARG 7 N 0.84 1.01 -0.32 1.46 2.43 -1.54 0.12 114.38 118.38 2rnf h ARG 7 Ca 0.13 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2rnf h ARG 7 Cb 0.70 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2rnf h ARG 7 CO 0.05 0.87 0.08 0.35 -1.51 0.00 0.00 179.97 179.82 2rnf h PHE 8 N 0.95 0.47 0.38 2.20 3.04 -1.15 -0.90 116.94 121.93 2rnf h PHE 8 Ca 0.21 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 2rnf h PHE 8 Cb 0.27 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.64 2rnf h PHE 8 CO 0.02 0.41 -0.18 -0.07 -2.02 0.00 0.00 178.31 176.46 2rnf h LEU 9 N 0.46 -0.44 -0.91 0.59 3.38 -0.15 -0.86 115.31 117.38 2rnf h LEU 9 Ca 0.11 -0.13 0.14 0.00 0.09 0.00 0.00 57.88 58.09 2rnf h LEU 9 Cb 0.17 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 2rnf h LEU 9 CO -0.00 -0.06 0.51 -0.09 0.09 0.00 0.00 178.44 178.89 2rnf h ARG 10 N -0.86 0.72 0.00 1.13 2.43 -0.55 -2.73 114.38 114.52 2rnf h ARG 10 Ca -0.05 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 58.87 2rnf h ARG 10 Cb 0.54 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2rnf h ARG 10 CO 0.09 0.48 -1.17 1.96 -1.51 0.00 0.00 179.97 179.82 2rnf h GLN 11 N 0.74 0.00 0.00 0.20 4.20 -1.14 -3.43 115.11 115.69 2rnf h GLN 11 Ca 0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.20 2rnf h GLN 11 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2rnf h GLN 11 CO -0.33 0.63 0.00 0.72 -0.67 0.00 0.00 178.83 179.18 2rnf n HIS 12 N -3.16 0.00 -5.16 2.96 8.25 -0.33 -4.70 115.22 113.08 2rnf n HIS 12 Ca -0.06 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.08 2rnf n HIS 12 Cb 0.91 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.87 2rnf n HIS 12 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2rnf s VAL 13 N -0.17 2.36 -0.41 1.59 1.01 -1.04 0.21 120.40 123.96 2rnf s VAL 13 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2rnf s VAL 13 Cb 0.00 -1.87 0.18 0.00 0.00 0.00 0.00 36.38 34.69 2rnf s VAL 13 CO 0.00 0.58 0.75 -2.28 0.00 0.00 0.00 175.10 174.15 2rnf s HIS 14 N -0.40 -1.37 0.10 5.22 2.46 0.31 -4.87 115.29 116.73 2rnf s HIS 14 Ca 0.04 0.07 -0.08 0.00 0.47 0.00 0.00 55.06 55.57 2rnf s HIS 14 Cb -0.12 0.26 -0.19 0.00 -0.13 0.00 0.00 32.58 32.40 2rnf s HIS 14 CO 0.02 -0.96 1.22 -1.00 -2.47 0.00 0.00 174.74 171.54 2rnf h PRO 15 N 6.23 0.46 -0.20 2.88 0.14 -1.72 -3.33 132.00 136.47 2rnf h PRO 15 Ca 0.03 -0.56 -0.03 0.00 0.14 0.00 0.00 66.00 65.58 2rnf h PRO 15 Cb 1.18 0.18 -0.01 0.00 0.14 0.00 0.00 31.00 32.49 2rnf h PRO 15 CO 0.04 1.21 -0.00 1.05 0.14 0.00 0.00 178.00 180.44 2rnf h GLU 16 N 0.22 0.28 0.00 0.86 9.09 -1.93 -3.42 114.58 119.69 2rnf h GLU 16 Ca -0.12 -0.04 -0.33 0.00 0.05 0.00 0.00 59.36 58.92 2rnf h GLU 16 Cb 1.74 -0.05 0.02 0.00 -1.65 0.00 0.00 28.75 28.82 2rnf h GLU 16 CO 0.19 0.31 -0.03 -1.91 0.05 0.00 0.00 179.01 177.62 2rnf n GLU 17 N -4.37 0.67 -0.08 1.06 4.07 -1.26 -5.05 120.64 115.68 2rnf n GLU 17 Ca -0.00 -2.09 0.00 0.00 -0.06 0.00 0.00 57.16 55.01 2rnf n GLU 17 Cb 0.18 -0.19 0.00 0.00 -0.06 0.00 0.00 31.44 31.37 2rnf n GLU 17 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2rnf n THR 18 N -1.92 0.00 0.00 6.31 -2.24 -1.26 -4.85 114.28 110.32 2rnf n THR 18 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2rnf n THR 18 Cb 0.41 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2rnf n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rnf n GLY 19 N 0.00 0.58 1.59 3.38 0.00 -1.26 -4.88 105.19 104.60 2rnf n GLY 19 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2rnf n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rnf n GLY 20 N 0.00 0.54 3.14 -0.02 0.00 -1.26 -5.01 105.19 102.59 2rnf n GLY 20 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.38 2rnf n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rnf s SER 21 N -2.51 0.30 0.18 1.61 1.04 -1.26 -4.75 113.70 108.32 2rnf s SER 21 Ca 0.00 -0.81 -0.13 0.00 0.48 0.00 0.00 55.95 55.49 2rnf s SER 21 Cb 0.00 0.26 0.08 0.00 0.10 0.00 0.00 66.02 66.47 2rnf s SER 21 CO 0.00 -0.65 1.82 0.44 0.98 0.00 0.00 173.24 175.83 2rnf h ASP 22 N 3.00 0.70 -1.00 7.02 3.32 -1.87 -2.02 116.42 125.57 2rnf h ASP 22 Ca -0.34 -0.05 0.10 0.00 0.02 0.00 0.00 57.03 56.76 2rnf h ASP 22 Cb 1.17 -0.18 -0.08 0.00 0.22 0.00 0.00 39.33 40.47 2rnf h ASP 22 CO 0.61 0.54 0.64 -0.09 -1.72 0.00 0.00 179.24 179.21 2rnf h ARG 23 N 0.79 1.02 -0.42 3.56 9.65 -1.96 0.29 114.38 127.31 2rnf h ARG 23 Ca 0.21 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.93 2rnf h ARG 23 Cb -0.03 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.30 2rnf h ARG 23 CO -0.04 0.68 -0.11 -0.92 2.80 0.00 0.00 179.97 182.38 2rnf h TYR 24 N 1.05 0.91 -0.68 2.20 3.20 -1.83 -1.45 116.97 120.38 2rnf h TYR 24 Ca 0.47 -0.20 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2rnf h TYR 24 Cb 0.37 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2rnf h TYR 24 CO -0.00 0.93 0.16 0.00 -1.64 0.00 0.00 178.16 177.61 2rnf h ASN 26 N 1.02 0.95 0.29 0.00 2.35 -0.34 -1.60 115.58 118.26 2rnf h ASN 26 Ca 0.21 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 2rnf h ASN 26 Cb 0.37 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.49 2rnf h ASN 26 CO 0.00 1.04 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.61 2rnf h LEU 27 N 0.83 -0.33 -0.54 1.61 4.07 -1.03 -3.33 115.31 116.58 2rnf h LEU 27 Ca 0.15 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.21 2rnf h LEU 27 Cb 0.57 0.09 -0.08 0.00 1.08 0.00 0.00 40.66 42.32 2rnf h LEU 27 CO 0.03 -0.05 0.11 0.24 -1.08 0.00 0.00 178.44 177.69 2rnf h MET 28 N -0.77 0.24 -0.40 1.13 2.86 -0.79 -1.09 114.93 116.11 2rnf h MET 28 Ca -0.04 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.70 2rnf h MET 28 Cb 0.30 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2rnf h MET 28 CO 0.07 0.16 0.34 0.52 1.06 0.00 0.00 176.91 179.06 2rnf h MET 29 N 0.24 0.00 0.03 1.72 2.86 -1.45 -0.37 114.93 117.97 2rnf h MET 29 Ca 0.28 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.59 2rnf h MET 29 Cb 0.39 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 2rnf h MET 29 CO -0.36 0.00 -1.90 0.94 1.06 0.00 0.00 176.91 176.65 2rnf n GLN 30 N -4.08 0.67 0.05 1.72 7.27 -0.62 -1.13 117.38 121.26 2rnf n GLN 30 Ca 0.07 0.25 -0.07 0.00 0.07 0.00 0.00 57.00 57.31 2rnf n GLN 30 Cb 0.53 -1.73 0.09 0.00 2.41 0.00 0.00 30.24 31.54 2rnf n GLN 30 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2rnf h ARG 31 N 0.02 0.37 -0.63 3.69 2.43 -0.56 -3.03 114.38 116.67 2rnf h ARG 31 Ca -0.36 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 2rnf h ARG 31 Cb 2.04 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.63 2rnf h ARG 31 CO 0.07 0.86 0.00 0.54 -1.51 0.00 0.00 179.97 179.93 2rnf n ARG 32 N -3.90 2.21 -2.78 0.20 5.12 -0.21 -4.94 116.66 112.36 2rnf n ARG 32 Ca -0.03 -1.16 -0.21 0.00 -1.93 0.00 0.00 57.85 54.52 2rnf n ARG 32 Cb 0.63 -1.59 0.01 0.00 -1.16 0.00 0.00 32.46 30.35 2rnf n ARG 32 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2rnf n LYS 33 N 0.28 -3.32 -0.45 5.56 4.01 -1.14 -4.76 118.16 118.34 2rnf n LYS 33 Ca 0.10 0.85 0.11 0.00 -0.51 0.00 0.00 58.31 58.86 2rnf n LYS 33 Cb 0.48 -5.59 0.33 0.00 -0.51 0.00 0.00 35.03 29.74 2rnf n LYS 33 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2rnf n MET 34 N -3.50 3.00 -0.19 1.97 2.81 -0.29 -4.14 117.12 116.79 2rnf n MET 34 Ca -0.15 -2.66 0.03 0.00 -1.81 0.00 0.00 57.70 53.11 2rnf n MET 34 Cb 0.63 -1.67 0.05 0.00 -0.71 0.00 0.00 33.22 31.52 2rnf n MET 34 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2rnf n THR 35 N 1.45 0.79 -0.15 2.03 -2.24 -1.24 -2.72 114.28 112.19 2rnf n THR 35 Ca 0.24 -0.91 -0.03 0.00 -2.27 0.00 0.00 64.05 61.08 2rnf n THR 35 Cb 0.70 0.34 0.05 0.00 -2.10 0.00 0.00 70.33 69.31 2rnf n THR 35 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2rnf h LEU 36 N 0.00 -0.26 0.00 3.22 5.85 -1.91 -3.37 115.31 118.83 2rnf h LEU 36 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2rnf h LEU 36 Cb 1.05 0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2rnf h LEU 36 CO 0.00 -0.09 -0.68 -1.22 -0.34 0.00 0.00 178.44 176.11 2rnf n TYR 37 N -5.26 0.00 -3.81 1.25 4.02 -1.26 -4.83 117.16 107.28 2rnf n TYR 37 Ca 0.04 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.83 2rnf n TYR 37 Cb 0.25 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.50 2rnf n TYR 37 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 2rnf s HIS 38 N -1.48 0.00 -0.60 -0.72 5.04 -1.26 -4.73 115.29 111.54 2rnf s HIS 38 Ca 0.00 -0.22 -0.23 0.00 -1.54 0.00 0.00 55.06 53.07 2rnf s HIS 38 Cb 0.00 0.02 0.06 0.00 0.04 0.00 0.00 32.58 32.70 2rnf s HIS 38 CO 0.00 -0.48 0.93 0.00 -2.34 0.00 0.00 174.74 172.85 2rnf n LYS 40 N 7.48 1.42 0.45 0.00 4.81 -1.10 -4.88 118.16 126.34 2rnf n LYS 40 Ca -0.01 0.51 -0.19 0.00 -0.87 0.00 0.00 58.31 57.74 2rnf n LYS 40 Cb 0.46 -2.11 -0.09 0.00 0.02 0.00 0.00 35.03 33.30 2rnf n LYS 40 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2rnf h ARG 41 N 4.23 -1.10 -4.51 1.64 9.65 -1.93 -3.41 114.38 118.96 2rnf h ARG 41 Ca -0.45 0.08 -0.27 0.00 -1.10 0.00 0.00 59.98 58.23 2rnf h ARG 41 Cb 1.32 0.25 -0.22 0.00 -1.39 0.00 0.00 29.97 29.93 2rnf h ARG 41 CO 0.76 -0.74 -0.73 0.12 2.80 0.00 0.00 179.97 182.18 2rnf s PHE 42 N -6.02 0.63 -0.28 2.20 2.19 -1.26 -1.00 117.98 114.44 2rnf s PHE 42 Ca -0.19 -0.47 -0.21 0.00 0.33 0.00 0.00 56.93 56.40 2rnf s PHE 42 Cb 0.03 -0.38 0.09 0.00 -1.31 0.00 0.00 43.02 41.44 2rnf s PHE 42 CO 0.61 -0.08 0.76 1.21 1.83 0.00 0.00 175.22 179.55 2rnf s ASN 43 N -1.44 -0.78 -0.13 6.13 2.47 -0.95 -5.00 114.94 115.24 2rnf s ASN 43 Ca -0.09 1.37 -0.04 0.00 0.42 0.00 0.00 52.86 54.52 2rnf s ASN 43 Cb -0.09 1.36 -0.03 0.00 -1.45 0.00 0.00 41.25 41.03 2rnf s ASN 43 CO 0.00 -0.23 0.01 -0.89 -3.72 0.00 0.00 177.10 172.28 2rnf s THR 44 N 0.94 4.39 -0.16 -5.21 2.01 -1.26 -0.91 115.64 115.44 2rnf s THR 44 Ca -0.04 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 2rnf s THR 44 Cb -0.05 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 2rnf s THR 44 CO -0.09 0.54 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.95 2rnf s PHE 45 N -0.23 2.94 -0.16 4.92 0.08 -0.86 -4.29 117.98 120.38 2rnf s PHE 45 Ca 0.06 -0.52 -0.11 0.00 0.12 0.00 0.00 56.93 56.48 2rnf s PHE 45 Cb -0.12 -1.95 -0.05 0.00 -0.57 0.00 0.00 43.02 40.33 2rnf s PHE 45 CO 0.02 -0.19 0.20 0.42 -0.10 0.00 0.00 175.22 175.57 2rnf s ILE 46 N 0.57 5.37 -0.90 0.64 1.01 0.55 -1.91 121.20 126.54 2rnf s ILE 46 Ca -0.05 0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.95 2rnf s ILE 46 Cb -0.15 -3.53 0.28 0.00 0.01 0.00 0.00 42.46 39.07 2rnf s ILE 46 CO 0.03 0.46 1.12 1.41 0.00 0.00 0.00 174.94 177.96 2rnf n HIS 47 N 3.21 3.07 -3.84 3.97 8.25 -0.18 -0.53 115.22 129.18 2rnf n HIS 47 Ca -0.15 -3.38 -0.11 0.00 -0.26 0.00 0.00 57.72 53.83 2rnf n HIS 47 Cb 0.52 -0.99 -0.08 0.00 1.12 0.00 0.00 29.99 30.56 2rnf n HIS 47 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2rnf s GLU 48 N -2.49 0.68 0.37 -0.41 0.41 -1.26 -4.63 118.70 111.36 2rnf s GLU 48 Ca 0.34 -0.59 -0.28 0.00 -0.41 0.00 0.00 54.97 54.03 2rnf s GLU 48 Cb 0.07 0.28 -0.11 0.00 -1.78 0.00 0.00 34.13 32.59 2rnf s GLU 48 CO 0.03 -0.19 1.40 -0.25 -0.49 0.00 0.00 175.26 175.76 2rnf n ASP 49 N 0.78 3.35 -0.31 -0.19 8.00 -1.26 -4.12 116.55 122.79 2rnf n ASP 49 Ca -0.19 1.21 0.14 0.00 0.71 0.00 0.00 54.79 56.66 2rnf n ASP 49 Cb 0.58 -1.56 0.32 0.00 -0.02 0.00 0.00 41.12 40.44 2rnf n ASP 49 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2rnf h ILE 50 N 2.75 0.45 0.00 0.53 2.04 -2.00 0.50 117.51 121.79 2rnf h ILE 50 Ca -0.49 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2rnf h ILE 50 Cb 1.26 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2rnf h ILE 50 CO 0.63 0.07 -0.07 -0.50 0.00 0.00 0.00 178.15 178.29 2rnf h TRP 51 N 0.38 0.00 0.02 1.37 4.06 -1.99 -1.31 115.95 118.48 2rnf h TRP 51 Ca 0.57 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 61.31 2rnf h TRP 51 Cb 1.10 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.24 2rnf h TRP 51 CO -0.14 0.07 -1.01 -0.91 -3.56 0.00 0.00 178.44 172.89 2rnf h ASN 52 N 0.00 0.09 0.58 -3.49 2.35 -0.35 -1.96 115.58 112.81 2rnf h ASN 52 Ca -0.00 -0.09 -0.20 0.00 -0.55 0.00 0.00 56.30 55.46 2rnf h ASN 52 Cb 0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2rnf h ASN 52 CO 0.01 1.04 -0.87 0.40 -1.65 0.00 0.00 177.43 176.36 2rnf h ILE 53 N 0.02 1.49 -0.18 2.81 1.08 -0.88 -3.13 117.51 118.72 2rnf h ILE 53 Ca -0.03 -2.61 -0.17 0.00 -0.39 0.00 0.00 64.86 61.66 2rnf h ILE 53 Cb 1.74 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 37.94 2rnf h ILE 53 CO 0.14 0.76 -0.57 0.03 -0.69 0.00 0.00 178.15 177.82 2rnf h ARG 54 N 0.11 0.57 0.00 2.37 3.08 -1.30 -2.79 114.38 116.42 2rnf h ARG 54 Ca -0.04 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2rnf h ARG 54 Cb 1.49 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.59 2rnf h ARG 54 CO 0.13 0.98 0.00 1.03 -1.07 0.00 0.00 179.97 181.04 2rnf h SER 55 N 0.43 0.00 0.39 7.04 0.87 -1.30 -1.35 113.55 119.64 2rnf h SER 55 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 2rnf h SER 55 Cb 1.12 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2rnf h SER 55 CO 0.11 0.00 -0.75 0.40 -0.53 0.00 0.00 176.83 176.06 2rnf h ILE 56 N 0.00 1.42 -0.06 2.23 2.04 -1.48 -3.06 117.51 118.60 2rnf h ILE 56 Ca 0.00 -2.26 0.02 0.00 1.00 0.00 0.00 64.86 63.62 2rnf h ILE 56 Cb 0.06 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 2rnf h ILE 56 CO 0.00 0.67 0.18 0.00 0.00 0.00 0.00 178.15 179.00 2rnf n SER 58 N -3.24 0.53 -4.60 0.00 7.64 -1.16 -4.92 113.62 107.89 2rnf n SER 58 Ca -0.01 0.10 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 2rnf n SER 58 Cb 0.26 -0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.66 2rnf n SER 58 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2rnf s THR 59 N -3.08 2.18 1.09 0.44 -4.23 -0.71 -4.94 115.64 106.39 2rnf s THR 59 Ca 0.09 0.06 -0.16 0.00 -1.18 0.00 0.00 61.69 60.50 2rnf s THR 59 Cb 0.16 -2.26 0.13 0.00 1.34 0.00 0.00 72.50 71.87 2rnf s THR 59 CO 0.67 -0.07 0.30 1.07 -0.54 0.00 0.00 174.62 176.05 2rnf n THR 60 N -4.49 0.00 -3.59 3.99 5.66 -1.26 -4.96 114.28 109.63 2rnf n THR 60 Ca 0.06 -0.29 -0.35 0.00 -3.05 0.00 0.00 64.05 60.41 2rnf n THR 60 Cb 0.54 -0.69 -0.06 0.00 -1.55 0.00 0.00 70.33 68.58 2rnf n THR 60 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2rnf s ASN 61 N -2.00 6.65 0.05 1.09 -0.87 -1.26 -4.75 114.94 113.85 2rnf s ASN 61 Ca 0.59 0.79 -0.01 0.00 -1.57 0.00 0.00 52.86 52.66 2rnf s ASN 61 Cb -0.16 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.25 38.85 2rnf s ASN 61 CO 0.66 0.21 -0.02 0.27 -2.57 0.00 0.00 177.10 175.65 2rnf s ILE 62 N -1.33 0.20 0.33 0.60 -4.36 -0.48 -5.01 121.20 111.15 2rnf s ILE 62 Ca 0.30 -1.67 -0.29 0.00 -0.26 0.00 0.00 60.65 58.74 2rnf s ILE 62 Cb -0.14 -1.36 -0.10 0.00 1.25 0.00 0.00 42.46 42.11 2rnf s ILE 62 CO 0.17 -0.92 1.25 -1.58 0.24 0.00 0.00 174.94 174.10 2rnf s GLN 63 N -3.62 4.38 0.70 0.37 0.74 -1.26 -2.94 119.66 118.03 2rnf s GLN 63 Ca 0.04 2.11 -0.06 0.00 0.05 0.00 0.00 55.36 57.50 2rnf s GLN 63 Cb 0.06 -3.06 0.07 0.00 1.10 0.00 0.00 33.01 31.17 2rnf s GLN 63 CO -0.09 -0.12 1.00 0.00 -0.55 0.00 0.00 175.29 175.53 2rnf h LYS 65 N -0.56 0.00 0.00 0.00 1.57 -1.93 -2.14 116.57 113.51 2rnf h LYS 65 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2rnf h LYS 65 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2rnf h LYS 65 CO 0.58 0.09 -0.09 0.27 -0.57 0.00 0.00 179.45 179.72 2rnf n ASN 66 N -4.16 0.30 0.00 0.86 0.23 -1.26 -4.94 115.26 106.29 2rnf n ASN 66 Ca -0.03 0.41 0.00 0.00 -0.53 0.00 0.00 54.58 54.43 2rnf n ASN 66 Cb 0.17 -0.45 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 2rnf n ASN 66 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2rnf n GLY 67 N 1.44 2.64 3.66 4.83 0.00 -0.80 -5.07 105.19 111.88 2rnf n GLY 67 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2rnf n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rnf s LYS 68 N -0.40 0.71 -0.21 1.61 1.02 -1.26 -4.64 119.74 116.56 2rnf s LYS 68 Ca 0.00 0.95 0.13 0.00 0.02 0.00 0.00 55.97 57.07 2rnf s LYS 68 Cb 0.00 -1.73 0.43 0.00 -0.52 0.00 0.00 37.83 36.01 2rnf s LYS 68 CO 0.00 -2.66 1.30 -1.33 -0.92 0.00 0.00 175.35 171.75 2rnf n MET 69 N -4.19 1.76 -1.21 1.68 2.81 -1.26 -0.84 117.12 115.87 2rnf n MET 69 Ca 0.07 -3.06 -0.24 0.00 -1.81 0.00 0.00 57.70 52.66 2rnf n MET 69 Cb 0.54 -1.68 0.17 0.00 -0.71 0.00 0.00 33.22 31.55 2rnf n MET 69 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2rnf n ASN 70 N -1.12 3.88 -4.83 7.83 6.94 -1.26 -4.17 115.26 122.53 2rnf n ASN 70 Ca 0.23 -3.59 -0.31 0.00 -0.02 0.00 0.00 54.58 50.89 2rnf n ASN 70 Cb 0.81 -0.84 -0.06 0.00 -2.36 0.00 0.00 39.78 37.33 2rnf n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2rnf s HIS 72 N -1.42 0.75 0.07 0.00 3.76 0.46 -1.39 115.29 117.53 2rnf s HIS 72 Ca 0.31 -0.96 0.05 0.00 -0.15 0.00 0.00 55.06 54.31 2rnf s HIS 72 Cb -0.12 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.07 2rnf s HIS 72 CO 0.24 -0.23 -0.14 -1.83 -0.85 0.00 0.00 174.74 171.92 2rnf s GLU 73 N -3.81 0.83 -0.11 1.40 4.04 -1.26 -0.97 118.70 118.82 2rnf s GLU 73 Ca 0.10 -0.97 -0.28 0.00 0.04 0.00 0.00 54.97 53.85 2rnf s GLU 73 Cb 0.06 -0.84 0.07 0.00 0.02 0.00 0.00 34.13 33.44 2rnf s GLU 73 CO -0.07 0.18 0.66 0.20 -1.84 0.00 0.00 175.26 174.40 2rnf s GLY 74 N -1.78 -0.53 -0.46 -3.83 0.00 -0.66 -4.97 107.32 95.09 2rnf s GLY 74 Ca -0.01 1.44 -0.21 0.00 0.00 0.00 0.00 44.72 45.94 2rnf s GLY 74 CO 0.02 1.12 0.65 0.14 0.00 0.00 0.00 173.10 175.03 2rnf s VAL 75 N -0.75 4.82 0.23 1.40 1.01 -1.26 -0.49 120.40 125.36 2rnf s VAL 75 Ca -0.08 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2rnf s VAL 75 Cb -0.02 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2rnf s VAL 75 CO 0.07 -0.66 -0.02 0.68 0.00 0.00 0.00 175.10 175.17 2rnf s VAL 76 N 2.82 1.15 -0.05 2.92 -7.23 0.08 -4.87 120.40 115.22 2rnf s VAL 76 Ca 0.21 -2.05 -0.27 0.00 -1.81 0.00 0.00 61.98 58.06 2rnf s VAL 76 Cb -0.15 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.45 2rnf s VAL 76 CO 0.18 -0.36 0.85 -0.54 -0.31 0.00 0.00 175.10 174.92 2rnf s LYS 77 N -3.83 4.47 0.27 4.82 1.02 -1.26 -0.35 119.74 124.88 2rnf s LYS 77 Ca 0.27 1.15 0.01 0.00 0.02 0.00 0.00 55.97 57.42 2rnf s LYS 77 Cb 0.05 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2rnf s LYS 77 CO 0.08 -0.05 0.25 0.14 -0.92 0.00 0.00 175.35 174.86 2rnf s VAL 78 N 1.09 0.00 -0.13 3.17 -7.23 -0.93 -1.01 120.40 115.36 2rnf s VAL 78 Ca 0.44 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2rnf s VAL 78 Cb -0.19 -2.49 0.05 0.00 0.56 0.00 0.00 36.38 34.31 2rnf s VAL 78 CO 0.22 0.00 0.07 -0.89 -0.31 0.00 0.00 175.10 174.19 2rnf s THR 79 N -3.77 -0.04 -0.12 5.32 2.01 -0.80 -3.53 115.64 114.71 2rnf s THR 79 Ca 0.37 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.16 2rnf s THR 79 Cb 0.04 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 2rnf s THR 79 CO 0.18 -0.13 0.58 -1.81 -0.69 0.00 0.00 174.62 172.76 2rnf s ASP 80 N 2.12 6.77 -0.35 3.53 1.01 -0.55 -2.02 116.67 127.19 2rnf s ASP 80 Ca 0.03 0.93 -0.07 0.00 0.71 0.00 0.00 52.55 54.14 2rnf s ASP 80 Cb -0.15 -2.34 0.04 0.00 1.01 0.00 0.00 42.92 41.48 2rnf s ASP 80 CO -0.07 -0.11 0.13 0.00 0.21 0.00 0.00 175.17 175.32 2rnf s ARG 82 N 1.43 3.75 0.35 0.00 3.52 0.08 -2.24 118.95 125.85 2rnf s ARG 82 Ca -0.01 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 54.87 2rnf s ARG 82 Cb -0.19 -3.36 -0.11 0.00 -1.56 0.00 0.00 34.95 29.73 2rnf s ARG 82 CO 0.04 -0.11 1.49 0.34 -0.81 0.00 0.00 175.30 176.25 2rnf s ASP 83 N 1.43 6.40 0.08 -2.12 2.15 -0.17 -0.51 116.67 123.93 2rnf s ASP 83 Ca 0.06 2.98 0.13 0.00 0.43 0.00 0.00 52.55 56.15 2rnf s ASP 83 Cb -0.15 -2.66 -0.15 0.00 -0.30 0.00 0.00 42.92 39.66 2rnf s ASP 83 CO 0.05 -0.84 0.99 0.71 -0.17 0.00 0.00 175.17 175.90 2rnf h THR 84 N 3.09 0.97 0.00 1.71 1.35 -1.80 -3.46 112.91 114.76 2rnf h THR 84 Ca -0.50 -2.61 0.00 0.00 -0.55 0.00 0.00 66.41 62.75 2rnf h THR 84 Cb 1.23 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 2rnf h THR 84 CO 0.68 0.55 0.00 0.61 -0.25 0.00 0.00 175.52 177.11 2rnf n GLY 85 N 1.41 0.84 0.11 5.82 0.00 -1.26 -4.99 105.19 107.12 2rnf n GLY 85 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 2rnf n GLY 85 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2rnf h SER 86 N 0.00 -0.28 -1.76 1.61 0.02 -1.93 -3.46 113.55 107.75 2rnf h SER 86 Ca 0.00 0.02 -0.55 0.00 -0.84 0.00 0.00 61.79 60.42 2rnf h SER 86 Cb 0.00 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.55 2rnf h SER 86 CO 0.00 -0.16 -0.51 -0.94 -1.14 0.00 0.00 176.83 174.08 2rnf s SER 87 N -2.59 4.64 0.51 3.07 1.04 -1.26 -5.11 113.70 113.99 2rnf s SER 87 Ca -0.04 -0.86 0.08 0.00 0.48 0.00 0.00 55.95 55.61 2rnf s SER 87 Cb 0.01 -0.64 0.04 0.00 0.10 0.00 0.00 66.02 65.53 2rnf s SER 87 CO 0.13 -0.40 0.61 -0.13 0.98 0.00 0.00 173.24 174.42 2rnf s ARG 88 N -3.89 2.45 0.56 4.02 0.52 -1.25 -4.65 118.95 116.71 2rnf s ARG 88 Ca 0.40 -1.60 -0.19 0.00 -0.52 0.00 0.00 55.73 53.81 2rnf s ARG 88 Cb -0.01 -2.53 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 2rnf s ARG 88 CO 0.23 -0.58 1.14 0.00 0.02 0.00 0.00 175.30 176.11 2rnf s ALA 89 N -2.58 2.66 -2.07 2.13 0.00 -1.26 -1.19 121.76 119.45 2rnf s ALA 89 Ca 0.53 0.82 0.14 0.00 0.00 0.00 0.00 51.96 53.45 2rnf s ALA 89 Cb -0.06 -3.37 0.68 0.00 0.00 0.00 0.00 23.12 20.38 2rnf s ALA 89 CO 0.33 -0.86 1.46 -0.35 0.00 0.00 0.00 175.76 176.34 2rnf n PRO 90 N -1.43 1.28 -3.05 0.00 -0.04 -1.26 -4.96 135.00 125.54 2rnf n PRO 90 Ca 0.12 -0.43 -0.43 0.00 -0.04 0.00 0.00 63.50 62.71 2rnf n PRO 90 Cb 0.51 -1.25 0.01 0.00 -0.04 0.00 0.00 33.50 32.72 2rnf n PRO 90 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2rnf n ASN 91 N -0.28 6.12 -4.81 3.54 3.02 -0.33 -5.01 115.26 117.50 2rnf n ASN 91 Ca 0.11 -3.30 -0.38 0.00 -0.03 0.00 0.00 54.58 50.98 2rnf n ASN 91 Cb 0.15 -1.31 -0.06 0.00 -0.61 0.00 0.00 39.78 37.94 2rnf n ASN 91 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rnf s ARG 93 N -0.90 2.48 0.21 0.00 0.52 -1.26 -4.87 118.95 115.12 2rnf s ARG 93 Ca 0.27 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 54.78 2rnf s ARG 93 Cb -0.18 -2.29 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 2rnf s ARG 93 CO 0.16 0.55 -0.15 0.71 0.02 0.00 0.00 175.30 176.59 2rnf s TYR 94 N -0.55 1.72 -0.14 -0.53 1.51 -1.26 -2.27 117.35 115.82 2rnf s TYR 94 Ca 0.08 -0.57 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 2rnf s TYR 94 Cb -0.11 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 2rnf s TYR 94 CO 0.01 0.37 -0.13 0.50 -1.11 0.00 0.00 175.55 175.18 2rnf s ARG 95 N -3.63 3.34 0.08 -0.62 6.06 0.33 -4.70 118.95 119.82 2rnf s ARG 95 Ca 0.22 -0.70 0.02 0.00 -2.50 0.00 0.00 55.73 52.78 2rnf s ARG 95 Cb -0.01 -2.66 -0.04 0.00 0.06 0.00 0.00 34.95 32.30 2rnf s ARG 95 CO 0.07 0.13 0.14 0.00 -2.50 0.00 0.00 175.30 173.14 2rnf s ALA 96 N 0.55 3.74 -0.04 6.12 0.00 -1.26 -0.74 121.76 130.13 2rnf s ALA 96 Ca -0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 2rnf s ALA 96 Cb -0.16 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.41 2rnf s ALA 96 CO 0.04 0.75 0.06 0.42 0.00 0.00 0.00 175.76 177.03 2rnf s ILE 97 N -1.47 -0.11 0.05 0.00 1.01 -0.81 -4.80 121.20 115.08 2rnf s ILE 97 Ca 0.32 0.37 0.02 0.00 0.00 0.00 0.00 60.65 61.36 2rnf s ILE 97 Cb -0.12 -0.14 -0.04 0.00 0.01 0.00 0.00 42.46 42.16 2rnf s ILE 97 CO 0.25 0.16 0.10 0.00 0.00 0.00 0.00 174.94 175.45 2rnf s ALA 98 N 1.91 3.65 0.00 9.38 0.00 -1.26 -1.49 121.76 133.95 2rnf s ALA 98 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2rnf s ALA 98 Cb -0.12 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.45 2rnf s ALA 98 CO -0.03 0.75 0.00 -1.13 0.00 0.00 0.00 175.76 175.35 2rnf n SER 99 N 0.61 0.00 -4.28 0.00 3.41 -1.23 -5.05 113.62 107.09 2rnf n SER 99 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.09 2rnf n SER 99 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 2rnf n SER 99 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rnf s THR 100 N -2.00 4.70 0.33 6.66 2.01 -1.26 -2.20 115.64 123.88 2rnf s THR 100 Ca 0.00 -1.52 0.03 0.00 0.31 0.00 0.00 61.69 60.51 2rnf s THR 100 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 2rnf s THR 100 CO 0.00 -0.74 0.09 0.00 -0.69 0.00 0.00 174.62 173.28 2rnf s ARG 101 N 1.49 1.67 -0.29 4.92 1.70 0.53 -4.82 118.95 124.16 2rnf s ARG 101 Ca 0.04 -1.95 -0.29 0.00 -0.47 0.00 0.00 55.73 53.06 2rnf s ARG 101 Cb -0.27 -0.66 -0.01 0.00 -0.57 0.00 0.00 34.95 33.44 2rnf s ARG 101 CO 0.02 -0.29 1.53 0.50 -1.08 0.00 0.00 175.30 175.98 2rnf s ARG 102 N -3.88 3.72 0.22 3.89 3.52 -1.26 -0.74 118.95 124.43 2rnf s ARG 102 Ca 0.34 1.41 0.08 0.00 -0.13 0.00 0.00 55.73 57.42 2rnf s ARG 102 Cb 0.07 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 2rnf s ARG 102 CO 0.15 -1.38 0.06 0.14 -0.81 0.00 0.00 175.30 173.46 2rnf s VAL 103 N 5.27 3.86 -0.14 7.11 -7.23 0.35 -4.94 120.40 124.67 2rnf s VAL 103 Ca 0.67 -1.56 -0.01 0.00 -1.81 0.00 0.00 61.98 59.27 2rnf s VAL 103 Cb -0.21 -3.02 0.04 0.00 0.56 0.00 0.00 36.38 33.75 2rnf s VAL 103 CO 0.29 -0.26 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.08 2rnf s VAL 104 N -2.03 1.02 0.27 1.32 1.01 0.39 -1.65 120.40 120.72 2rnf s VAL 104 Ca 0.30 -0.47 0.11 0.00 0.00 0.00 0.00 61.98 61.92 2rnf s VAL 104 Cb -0.08 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 2rnf s VAL 104 CO 0.21 0.20 -0.12 0.27 0.00 0.00 0.00 175.10 175.66 2rnf s ILE 105 N 1.69 2.88 -0.15 2.22 -4.36 -0.14 0.41 121.20 123.75 2rnf s ILE 105 Ca 0.02 -2.19 -0.04 0.00 -0.26 0.00 0.00 60.65 58.18 2rnf s ILE 105 Cb -0.14 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.01 2rnf s ILE 105 CO -0.08 -0.38 0.01 0.00 0.24 0.00 0.00 174.94 174.73 2rnf s ALA 106 N -2.40 3.21 -0.00 2.27 0.00 0.34 -0.40 121.76 124.77 2rnf s ALA 106 Ca 0.30 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.53 2rnf s ALA 106 Cb -0.06 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.37 2rnf s ALA 106 CO 0.17 0.30 -0.16 0.00 0.00 0.00 0.00 175.76 176.07 2rnf s GLU 108 N -1.13 0.95 0.14 0.00 2.12 -0.25 -4.86 118.70 115.68 2rnf s GLU 108 Ca 0.14 -1.14 0.00 0.00 0.36 0.00 0.00 54.97 54.33 2rnf s GLU 108 Cb -0.11 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.61 2rnf s GLU 108 CO 0.03 -0.31 0.00 0.41 -0.54 0.00 0.00 175.26 174.85 2rnf n GLY 109 N -0.11 -2.90 2.90 -1.50 0.00 -1.26 -1.70 105.19 100.63 2rnf n GLY 109 Ca -0.11 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.04 2rnf n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2rnf s ASN 110 N -1.84 0.48 0.67 1.61 2.47 -1.26 -3.26 114.94 113.82 2rnf s ASN 110 Ca 0.00 -0.24 -0.17 0.00 0.42 0.00 0.00 52.86 52.87 2rnf s ASN 110 Cb 0.00 1.05 0.01 0.00 -1.45 0.00 0.00 41.25 40.86 2rnf s ASN 110 CO 0.00 -0.34 1.22 -2.16 -3.72 0.00 0.00 177.10 172.10 2rnf s PRO 111 N 2.53 2.47 0.29 0.43 0.04 -1.26 -5.12 135.00 134.37 2rnf s PRO 111 Ca 0.11 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 2rnf s PRO 111 Cb -0.13 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.44 2rnf s PRO 111 CO -0.26 -1.60 1.36 -0.65 0.04 0.00 0.00 177.00 175.89 2rnf s GLN 112 N -3.66 4.32 0.03 4.56 -1.52 -1.20 -4.95 119.66 117.24 2rnf s GLN 112 Ca 0.77 2.24 -0.04 0.00 -1.95 0.00 0.00 55.36 56.37 2rnf s GLN 112 Cb -0.31 -3.09 -0.01 0.00 -0.22 0.00 0.00 33.01 29.38 2rnf s GLN 112 CO 0.41 -0.29 0.07 0.14 -0.25 0.00 0.00 175.29 175.36 2rnf s VAL 113 N -0.60 0.12 0.01 1.09 -7.23 -0.69 -4.93 120.40 108.17 2rnf s VAL 113 Ca 0.54 -1.02 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 2rnf s VAL 113 Cb -0.40 -0.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2rnf s VAL 113 CO 0.48 -0.56 1.16 -2.84 -0.31 0.00 0.00 175.10 173.03 2rnf s PRO 114 N -2.19 4.43 0.00 4.82 0.02 -1.26 -1.09 135.00 139.72 2rnf s PRO 114 Ca -0.09 1.67 0.01 0.00 0.02 0.00 0.00 61.00 62.61 2rnf s PRO 114 Cb -0.04 -3.44 -0.00 0.00 0.02 0.00 0.00 34.50 31.04 2rnf s PRO 114 CO -0.03 -0.29 0.27 1.33 -0.33 0.00 0.00 177.00 177.95 2rnf n VAL 115 N 4.17 0.00 -3.59 3.83 0.24 0.16 -4.35 118.33 118.78 2rnf n VAL 115 Ca 0.09 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 2rnf n VAL 115 Cb 0.47 1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 2rnf n VAL 115 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2rnf s HIS 116 N -0.63 -0.52 -0.47 6.34 5.65 -1.03 -4.79 115.29 119.84 2rnf s HIS 116 Ca 0.01 1.09 -0.19 0.00 0.25 0.00 0.00 55.06 56.22 2rnf s HIS 116 Cb 0.01 0.39 0.04 0.00 -1.18 0.00 0.00 32.58 31.84 2rnf s HIS 116 CO 0.03 -0.36 0.58 0.12 -0.65 0.00 0.00 174.74 174.45 2rnf s PHE 117 N -0.47 3.09 -0.08 3.88 5.36 -1.26 0.12 117.98 128.62 2rnf s PHE 117 Ca -0.02 -0.38 -0.27 0.00 -0.96 0.00 0.00 56.93 55.30 2rnf s PHE 117 Cb -0.02 -3.33 -0.22 0.00 -0.34 0.00 0.00 43.02 39.11 2rnf s PHE 117 CO 0.01 -0.91 0.98 0.22 -1.46 0.00 0.00 175.22 174.06 2rnf h ASP 118 N 8.90 -0.02 0.00 6.13 3.58 -0.36 -3.48 116.42 131.17 2rnf h ASP 118 Ca -0.27 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 56.48 2rnf h ASP 118 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2rnf h ASP 118 CO 0.90 0.72 0.00 0.61 -2.88 0.00 0.00 179.24 178.59