#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 0.91 -0.06 3.17 4.20 -1.98 -0.82 115.11 120.52 2rnf h GLN 1 Ca 0.00 -0.25 -0.09 0.00 0.06 0.00 0.00 58.65 58.37 2rnf h GLN 1 Cb 0.00 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2rnf h GLN 1 CO 0.00 0.89 -0.30 -0.44 -0.67 0.00 0.00 178.83 178.31 2rnf h ASP 2 N 0.84 0.37 0.28 1.46 3.32 -1.99 -1.98 116.42 118.72 2rnf h ASP 2 Ca 0.16 -0.66 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 2rnf h ASP 2 Cb 0.48 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2rnf h ASP 2 CO 0.02 0.96 -0.10 1.23 -1.72 0.00 0.00 179.24 179.64 2rnf h GLY 3 N -0.20 0.00 1.35 2.75 0.00 -2.00 -1.87 103.07 103.10 2rnf h GLY 3 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.00 2rnf h GLY 3 CO 0.06 0.00 -1.35 -0.33 0.00 0.00 0.00 176.54 174.93 2rnf h MET 4 N 0.00 0.50 0.51 4.80 2.86 -1.10 -3.11 114.93 119.38 2rnf h MET 4 Ca -0.00 -0.78 -0.02 0.00 -2.06 0.00 0.00 59.70 56.84 2rnf h MET 4 Cb 0.26 0.28 -0.01 0.00 0.06 0.00 0.00 31.60 32.19 2rnf h MET 4 CO 0.01 1.36 -0.40 -0.92 1.06 0.00 0.00 176.91 178.03 2rnf h TYR 5 N 0.17 -1.09 0.00 -0.22 3.20 -0.55 0.33 116.97 118.81 2rnf h TYR 5 Ca -0.20 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 2rnf h TYR 5 Cb 2.04 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 40.71 2rnf h TYR 5 CO 0.11 -0.56 -0.00 1.96 -1.64 0.00 0.00 178.16 178.03 2rnf h GLN 6 N -0.88 0.00 -0.30 1.82 4.20 -1.64 0.81 115.11 119.13 2rnf h GLN 6 Ca -0.07 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2rnf h GLN 6 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2rnf h GLN 6 CO 0.01 0.00 -0.54 -0.09 -0.67 0.00 0.00 178.83 177.55 2rnf h ARG 7 N 0.00 0.89 -0.38 1.46 2.43 -1.38 -1.69 114.38 115.71 2rnf h ARG 7 Ca -0.00 -0.56 -0.11 0.00 -0.81 0.00 0.00 59.98 58.50 2rnf h ARG 7 Cb 0.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2rnf h ARG 7 CO 0.00 1.19 -0.21 0.35 -1.51 0.00 0.00 179.97 179.80 2rnf h PHE 8 N 0.68 0.94 -0.42 2.20 3.57 0.17 -2.58 116.94 121.50 2rnf h PHE 8 Ca 0.02 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 61.22 2rnf h PHE 8 Cb 1.15 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 2rnf h PHE 8 CO 0.07 1.00 0.05 -0.07 -2.23 0.00 0.00 178.31 177.13 2rnf h LEU 9 N 0.62 0.60 -0.00 0.59 4.07 -0.91 -1.53 115.31 118.75 2rnf h LEU 9 Ca 0.08 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2rnf h LEU 9 Cb 0.77 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2rnf h LEU 9 CO 0.06 0.64 0.00 -2.11 -1.08 0.00 0.00 178.44 175.95 2rnf n ARG 10 N -4.28 0.21 -0.10 1.13 1.85 -0.64 -2.85 116.66 111.99 2rnf n ARG 10 Ca 0.02 0.17 -0.18 0.00 -1.00 0.00 0.00 57.85 56.87 2rnf n ARG 10 Cb 0.24 -1.75 -0.07 0.00 -1.05 0.00 0.00 32.46 29.83 2rnf n ARG 10 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2rnf n GLN 11 N -2.12 0.42 -0.44 2.89 6.02 -0.99 -4.77 117.38 118.41 2rnf n GLN 11 Ca 0.06 0.16 0.09 0.00 -0.01 0.00 0.00 57.00 57.29 2rnf n GLN 11 Cb 0.41 -1.25 0.26 0.00 1.02 0.00 0.00 30.24 30.68 2rnf n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2rnf n HIS 12 N -3.60 0.92 -4.50 1.08 8.25 -0.60 -4.74 115.22 112.04 2rnf n HIS 12 Ca -0.36 -0.88 -0.24 0.00 -0.26 0.00 0.00 57.72 55.98 2rnf n HIS 12 Cb 0.79 -0.31 -0.17 0.00 1.12 0.00 0.00 29.99 31.43 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 -2.82 1.00 -0.38 1.59 1.01 -1.13 0.25 120.40 119.92 2rnf s VAL 13 Ca 0.42 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2rnf s VAL 13 Cb 0.34 -0.93 0.18 0.00 0.00 0.00 0.00 36.38 35.97 2rnf s VAL 13 CO 0.09 0.33 0.74 -2.28 0.00 0.00 0.00 175.10 173.97 2rnf s HIS 14 N 0.71 -1.39 1.06 5.22 5.04 -0.26 -4.81 115.29 120.87 2rnf s HIS 14 Ca -0.14 0.27 -0.14 0.00 -1.54 0.00 0.00 55.06 53.51 2rnf s HIS 14 Cb -0.16 0.25 0.22 0.00 0.04 0.00 0.00 32.58 32.94 2rnf s HIS 14 CO 0.03 -0.93 1.09 -2.14 -2.34 0.00 0.00 174.74 170.46 2rnf s PRO 15 N 1.97 -0.07 -1.11 2.88 0.02 -1.26 -4.03 135.00 133.42 2rnf s PRO 15 Ca 0.16 0.37 0.00 0.00 0.02 0.00 0.00 61.00 61.54 2rnf s PRO 15 Cb -0.03 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.80 2rnf s PRO 15 CO -0.11 -3.03 0.00 -0.85 -0.33 0.00 0.00 177.00 172.68 2rnf n GLU 16 N -4.36 -1.59 -3.91 5.54 0.00 -1.26 -4.94 120.64 110.12 2rnf n GLU 16 Ca 0.07 0.76 -0.23 0.00 0.00 0.00 0.00 57.16 57.76 2rnf n GLU 16 Cb 0.58 -4.98 -0.06 0.00 0.00 0.00 0.00 31.44 26.99 2rnf n GLU 16 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2rnf s GLU 17 N -2.73 2.36 0.00 3.44 0.41 -1.26 -5.03 118.70 115.89 2rnf s GLU 17 Ca 0.00 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 52.86 2rnf s GLU 17 Cb 0.00 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 2rnf s GLU 17 CO 0.00 -0.13 0.00 0.25 -0.49 0.00 0.00 175.26 174.89 2rnf n THR 18 N -1.35 0.00 0.00 3.63 -2.24 -1.26 -4.89 114.28 108.17 2rnf n THR 18 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2rnf n THR 18 Cb 0.63 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 2.91 3.20 4.05 3.38 0.00 -1.26 -4.82 105.19 112.65 2rnf n GLY 19 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.76 3.83 -0.02 0.00 -1.26 -4.98 105.19 104.51 2rnf n GLY 20 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2rnf n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rnf s SER 21 N -2.35 6.97 0.13 1.61 0.15 -1.26 -4.38 113.70 114.56 2rnf s SER 21 Ca 0.00 1.25 -0.14 0.00 0.70 0.00 0.00 55.95 57.76 2rnf s SER 21 Cb 0.00 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 2rnf s SER 21 CO 0.00 0.11 1.55 0.44 1.20 0.00 0.00 173.24 176.53 2rnf h ASP 22 N 3.67 0.76 -0.13 5.45 5.19 -1.88 -2.37 116.42 127.13 2rnf h ASP 22 Ca -0.48 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 55.57 2rnf h ASP 22 Cb 1.20 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.49 2rnf h ASP 22 CO 0.65 0.93 0.05 -0.09 -3.12 0.00 0.00 179.24 177.66 2rnf h ARG 23 N 0.59 0.26 -0.19 3.56 2.43 -1.94 -2.31 114.38 116.77 2rnf h ARG 23 Ca 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2rnf h ARG 23 Cb 0.57 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2rnf h ARG 23 CO 0.03 0.24 0.02 -0.92 -1.51 0.00 0.00 179.97 177.83 2rnf h TYR 24 N 0.26 0.35 -0.93 2.20 3.20 -1.84 -1.46 116.97 118.75 2rnf h TYR 24 Ca 0.07 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2rnf h TYR 24 Cb 0.10 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 2rnf h TYR 24 CO 0.00 0.50 0.60 0.00 -1.64 0.00 0.00 178.16 177.62 2rnf h ASN 26 N 1.27 0.53 -0.17 0.00 2.35 -1.34 -1.10 115.58 117.11 2rnf h ASN 26 Ca 0.34 -0.41 -0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2rnf h ASN 26 Cb -0.12 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 2rnf h ASN 26 CO -0.07 0.82 0.04 -0.07 -1.65 0.00 0.00 177.43 176.50 2rnf h LEU 27 N 0.24 0.26 -0.41 1.61 4.07 -0.90 -3.20 115.31 116.98 2rnf h LEU 27 Ca 0.06 -0.23 -0.16 0.00 0.08 0.00 0.00 57.88 57.62 2rnf h LEU 27 Cb 0.62 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 2rnf h LEU 27 CO 0.04 0.42 -0.45 0.24 -1.08 0.00 0.00 178.44 177.61 2rnf h MET 28 N 0.08 0.86 -0.10 1.13 2.86 -0.67 -2.48 114.93 116.61 2rnf h MET 28 Ca 0.05 -0.48 -0.11 0.00 -2.06 0.00 0.00 59.70 57.10 2rnf h MET 28 Cb 0.26 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2rnf h MET 28 CO 0.00 1.12 -0.45 0.52 1.06 0.00 0.00 176.91 179.17 2rnf h MET 29 N 0.68 0.25 0.10 1.72 2.86 -1.31 -1.14 114.93 118.10 2rnf h MET 29 Ca 0.04 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2rnf h MET 29 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 2rnf h MET 29 CO 0.10 0.65 -0.05 0.37 1.06 0.00 0.00 176.91 179.05 2rnf h GLN 30 N 0.20 -0.13 -0.05 1.72 4.15 -1.59 0.37 115.11 119.80 2rnf h GLN 30 Ca 0.01 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.46 2rnf h GLN 30 Cb 0.87 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.59 2rnf h GLN 30 CO 0.07 0.38 0.04 0.00 -1.93 0.00 0.00 178.83 177.39 2rnf h ARG 31 N -0.87 0.00 -1.02 1.69 3.08 -1.49 -1.42 114.38 114.36 2rnf h ARG 31 Ca -0.01 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.65 2rnf h ARG 31 Cb 0.57 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.40 2rnf h ARG 31 CO 0.02 0.00 0.49 0.54 -1.07 0.00 0.00 179.97 179.95 2rnf n ARG 32 N -4.43 1.93 -4.01 0.04 1.74 -0.43 -4.93 116.66 106.57 2rnf n ARG 32 Ca -0.02 -2.19 -0.44 0.00 -0.77 0.00 0.00 57.85 54.43 2rnf n ARG 32 Cb 0.14 -1.86 0.02 0.00 -1.02 0.00 0.00 32.46 29.74 2rnf n ARG 32 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2rnf n LYS 33 N -0.66 -0.43 -0.07 5.56 4.01 -0.53 -4.88 118.16 121.16 2rnf n LYS 33 Ca 0.43 0.15 0.01 0.00 -0.51 0.00 0.00 58.31 58.40 2rnf n LYS 33 Cb 1.29 -2.77 0.02 0.00 -0.51 0.00 0.00 35.03 33.06 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 -4.85 1.39 -0.89 1.97 2.81 0.13 -4.69 117.12 112.98 2rnf n MET 34 Ca -0.11 -1.24 0.01 0.00 -1.81 0.00 0.00 57.70 54.54 2rnf n MET 34 Cb 0.57 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 32.24 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 -0.40 0.00 0.21 2.03 -2.24 -1.23 -1.88 114.28 110.78 2rnf n THR 35 Ca 0.02 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 2rnf n THR 35 Cb 0.44 0.63 -0.08 0.00 -2.10 0.00 0.00 70.33 69.22 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 0.35 -0.47 0.00 3.22 6.46 -1.90 -3.41 115.31 119.57 2rnf h LEU 36 Ca -0.12 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.43 2rnf h LEU 36 Cb 1.54 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 41.57 2rnf h LEU 36 CO 0.01 -0.12 -1.37 -1.22 -0.62 0.00 0.00 178.44 175.13 2rnf n TYR 37 N -5.21 0.00 -4.26 1.25 4.01 -1.26 -4.80 117.16 106.89 2rnf n TYR 37 Ca -0.10 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.49 2rnf n TYR 37 Cb 0.29 -0.26 -0.10 0.00 -0.31 0.00 0.00 39.34 38.96 2rnf n TYR 37 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2rnf s HIS 38 N -2.13 1.29 -0.13 -0.72 -3.43 -1.26 -4.58 115.29 104.33 2rnf s HIS 38 Ca -0.05 -0.96 -0.16 0.00 -0.80 0.00 0.00 55.06 53.09 2rnf s HIS 38 Cb 0.02 -0.73 -0.04 0.00 -1.43 0.00 0.00 32.58 30.39 2rnf s HIS 38 CO 0.19 -0.13 0.39 0.00 -2.00 0.00 0.00 174.74 173.19 2rnf s LYS 40 N 0.45 4.48 0.01 0.00 2.20 -0.79 -4.93 119.74 121.17 2rnf s LYS 40 Ca 0.21 1.98 -0.25 0.00 -0.36 0.00 0.00 55.97 57.55 2rnf s LYS 40 Cb -0.14 -3.17 -0.19 0.00 -1.51 0.00 0.00 37.83 32.82 2rnf s LYS 40 CO 0.07 -0.05 1.40 -0.09 -0.36 0.00 0.00 175.35 176.32 2rnf h ARG 41 N 4.36 0.02 -3.76 4.03 9.65 -1.93 -3.37 114.38 123.37 2rnf h ARG 41 Ca -0.46 -0.01 -0.19 0.00 -1.10 0.00 0.00 59.98 58.22 2rnf h ARG 41 Cb 1.22 -0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.56 2rnf h ARG 41 CO 0.70 0.37 -0.66 0.12 2.80 0.00 0.00 179.97 183.30 2rnf s PHE 42 N -4.79 0.10 -0.18 2.20 5.36 -1.26 0.02 117.98 119.43 2rnf s PHE 42 Ca -0.15 -0.19 -0.23 0.00 -0.96 0.00 0.00 56.93 55.40 2rnf s PHE 42 Cb 0.03 -0.08 0.06 0.00 -0.34 0.00 0.00 43.02 42.69 2rnf s PHE 42 CO 0.67 -0.13 0.61 1.21 -1.46 0.00 0.00 175.22 176.12 2rnf s ASN 43 N -0.80 -0.61 -0.15 6.13 2.47 -0.81 -5.01 114.94 116.15 2rnf s ASN 43 Ca -0.09 1.04 0.01 0.00 0.42 0.00 0.00 52.86 54.24 2rnf s ASN 43 Cb -0.05 1.03 0.00 0.00 -1.45 0.00 0.00 41.25 40.78 2rnf s ASN 43 CO -0.00 -0.32 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.01 2rnf s THR 44 N -0.13 2.55 -0.25 -5.21 2.01 -1.26 -0.66 115.64 112.70 2rnf s THR 44 Ca -0.03 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 2rnf s THR 44 Cb -0.03 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 2rnf s THR 44 CO 0.03 0.52 0.06 -0.36 -0.69 0.00 0.00 174.62 174.18 2rnf s PHE 45 N 0.83 3.08 -0.07 4.92 0.08 -0.99 -4.24 117.98 121.58 2rnf s PHE 45 Ca -0.05 -0.45 -0.21 0.00 0.12 0.00 0.00 56.93 56.33 2rnf s PHE 45 Cb -0.15 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 2rnf s PHE 45 CO -0.01 -0.37 0.60 0.42 -0.10 0.00 0.00 175.22 175.76 2rnf s ILE 46 N 1.60 5.07 -0.77 0.64 1.01 0.14 -2.04 121.20 126.86 2rnf s ILE 46 Ca 0.06 1.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.92 2rnf s ILE 46 Cb -0.15 -3.94 0.39 0.00 0.01 0.00 0.00 42.46 38.77 2rnf s ILE 46 CO 0.03 0.31 1.99 1.41 0.00 0.00 0.00 174.94 178.68 2rnf n HIS 47 N 3.52 3.07 -4.62 3.97 8.25 0.25 -1.10 115.22 128.57 2rnf n HIS 47 Ca -0.04 -2.58 -0.28 0.00 -0.26 0.00 0.00 57.72 54.56 2rnf n HIS 47 Cb 0.51 -1.23 -0.09 0.00 1.12 0.00 0.00 29.99 30.30 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 -3.97 1.97 0.31 -0.41 0.41 -1.26 -4.49 118.70 111.26 2rnf s GLU 48 Ca 0.56 -2.17 -0.27 0.00 -0.41 0.00 0.00 54.97 52.67 2rnf s GLU 48 Cb 0.46 -1.30 -0.09 0.00 -1.78 0.00 0.00 34.13 31.41 2rnf s GLU 48 CO -0.27 -0.24 1.02 -0.51 -0.49 0.00 0.00 175.26 174.77 2rnf s ASP 49 N -3.70 7.23 0.23 -0.19 1.01 -1.26 -3.98 116.67 116.01 2rnf s ASP 49 Ca 0.25 2.05 -0.07 0.00 0.71 0.00 0.00 52.55 55.49 2rnf s ASP 49 Cb 0.06 -2.60 0.39 0.00 1.01 0.00 0.00 42.92 41.78 2rnf s ASP 49 CO 0.12 -0.15 1.70 0.40 0.21 0.00 0.00 175.17 177.45 2rnf h ILE 50 N 2.77 0.59 -0.34 0.77 5.03 -1.99 0.12 117.51 124.46 2rnf h ILE 50 Ca -0.47 -0.10 0.05 0.00 -0.12 0.00 0.00 64.86 64.22 2rnf h ILE 50 Cb 1.21 0.27 -0.05 0.00 -3.03 0.00 0.00 36.82 35.22 2rnf h ILE 50 CO 0.66 0.05 0.06 -0.25 -0.68 0.00 0.00 178.15 177.99 2rnf h TRP 51 N 0.30 0.09 -0.59 1.37 2.91 -1.99 -0.57 115.95 117.46 2rnf h TRP 51 Ca 0.37 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.39 2rnf h TRP 51 Cb 0.59 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 29.22 2rnf h TRP 51 CO -0.24 0.00 0.26 -0.91 -1.03 0.00 0.00 178.44 176.53 2rnf h ASN 52 N 0.17 0.79 -0.16 2.65 2.35 -1.55 -1.85 115.58 117.99 2rnf h ASN 52 Ca 0.16 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 2rnf h ASN 52 Cb 0.19 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2rnf h ASN 52 CO -0.23 0.72 -0.14 0.40 -1.65 0.00 0.00 177.43 176.53 2rnf h ILE 53 N 0.81 1.24 -0.02 2.81 2.04 -0.33 -3.00 117.51 121.05 2rnf h ILE 53 Ca 0.20 -1.08 -0.15 0.00 1.00 0.00 0.00 64.86 64.83 2rnf h ILE 53 Cb 0.15 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2rnf h ILE 53 CO -0.02 0.35 -0.69 -0.09 0.00 0.00 0.00 178.15 177.70 2rnf h ARG 54 N 0.49 0.13 0.00 2.37 2.43 -0.75 -2.91 114.38 116.14 2rnf h ARG 54 Ca 0.09 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2rnf h ARG 54 Cb 0.53 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2rnf h ARG 54 CO 0.03 0.77 -0.00 0.77 -1.51 0.00 0.00 179.97 180.03 2rnf h SER 55 N 0.09 0.00 -0.47 -3.80 0.02 -1.20 0.98 113.55 109.17 2rnf h SER 55 Ca -0.01 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2rnf h SER 55 Cb 1.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 2rnf h SER 55 CO 0.10 0.00 0.31 0.40 -1.14 0.00 0.00 176.83 176.50 2rnf h ILE 56 N 0.00 1.05 0.00 3.27 2.04 -1.56 0.15 117.51 122.46 2rnf h ILE 56 Ca -0.00 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2rnf h ILE 56 Cb 0.06 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2rnf h ILE 56 CO 0.00 0.09 -0.16 0.00 0.00 0.00 0.00 178.15 178.08 2rnf n SER 58 N -4.09 0.03 -4.93 0.00 3.41 0.53 -4.88 113.62 103.69 2rnf n SER 58 Ca -0.02 -0.99 -0.26 0.00 -0.26 0.00 0.00 58.87 57.35 2rnf n SER 58 Cb 0.24 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.22 2rnf n SER 58 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2rnf s THR 59 N -2.02 3.21 -0.28 6.66 -4.23 -0.67 -4.98 115.64 113.32 2rnf s THR 59 Ca 0.47 -0.17 -0.37 0.00 -1.18 0.00 0.00 61.69 60.44 2rnf s THR 59 Cb 0.22 -3.29 -0.13 0.00 1.34 0.00 0.00 72.50 70.64 2rnf s THR 59 CO 0.37 -0.28 1.96 0.41 -0.54 0.00 0.00 174.62 176.54 2rnf n THR 60 N -2.62 0.30 -1.55 3.99 -1.04 -1.26 -4.91 114.28 107.20 2rnf n THR 60 Ca 0.06 -0.14 -0.37 0.00 -2.04 0.00 0.00 64.05 61.55 2rnf n THR 60 Cb 0.59 -1.49 0.06 0.00 -1.82 0.00 0.00 70.33 67.66 2rnf n THR 60 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2rnf n ASN 61 N 7.49 0.32 -3.75 8.00 4.13 -1.26 -4.63 115.26 125.57 2rnf n ASN 61 Ca 0.33 0.76 -0.10 0.00 1.68 0.00 0.00 54.58 57.25 2rnf n ASN 61 Cb 0.19 -1.35 -0.04 0.00 -1.54 0.00 0.00 39.78 37.04 2rnf n ASN 61 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2rnf s ILE 62 N -1.60 0.03 1.26 2.41 -4.36 0.12 -4.99 121.20 114.06 2rnf s ILE 62 Ca 0.75 -0.81 -0.21 0.00 -0.26 0.00 0.00 60.65 60.12 2rnf s ILE 62 Cb -0.41 -1.56 0.33 0.00 1.25 0.00 0.00 42.46 42.07 2rnf s ILE 62 CO 0.48 -0.15 0.76 1.67 0.24 0.00 0.00 174.94 177.94 2rnf n GLN 63 N -0.32 -4.42 -3.82 0.37 7.27 -1.25 -1.48 117.38 113.73 2rnf n GLN 63 Ca -0.10 -1.27 -0.15 0.00 0.07 0.00 0.00 57.00 55.55 2rnf n GLN 63 Cb 0.63 -1.62 -0.05 0.00 2.41 0.00 0.00 30.24 31.61 2rnf n GLN 63 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2rnf h LYS 65 N 0.00 0.72 -0.65 0.00 1.57 -1.94 -2.99 116.57 113.28 2rnf h LYS 65 Ca -0.22 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 2rnf h LYS 65 Cb 1.05 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2rnf h LYS 65 CO 0.31 0.70 0.09 -2.95 -0.57 0.00 0.00 179.45 177.02 2rnf h ASN 66 N 0.61 1.04 0.00 0.86 -0.00 -2.02 -3.46 115.58 112.61 2rnf h ASN 66 Ca 0.15 -0.27 0.00 0.00 -0.00 0.00 0.00 56.30 56.18 2rnf h ASN 66 Cb 0.29 -0.28 0.00 0.00 -0.00 0.00 0.00 38.32 38.33 2rnf h ASN 66 CO -0.00 1.05 0.00 0.61 -0.00 0.00 0.00 177.43 179.09 2rnf n GLY 67 N -0.54 0.28 3.93 9.14 0.00 -1.13 -5.15 105.19 111.73 2rnf n GLY 67 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 3.02 0.00 1.61 3.01 -1.26 -4.73 119.74 121.39 2rnf s LYS 68 Ca 0.00 -0.15 0.21 0.00 -1.01 0.00 0.00 55.97 55.02 2rnf s LYS 68 Cb 0.00 -2.38 0.23 0.00 -1.01 0.00 0.00 37.83 34.67 2rnf s LYS 68 CO 0.00 -0.51 1.21 -0.12 0.51 0.00 0.00 175.35 176.44 2rnf n MET 69 N -2.39 2.03 -0.06 1.68 1.56 -1.26 -0.07 117.12 118.61 2rnf n MET 69 Ca 0.03 -1.87 -0.01 0.00 -0.27 0.00 0.00 57.70 55.59 2rnf n MET 69 Cb 0.57 -1.41 0.01 0.00 2.15 0.00 0.00 33.22 34.54 2rnf n MET 69 CO 0.00 0.00 0.00 0.27 -0.73 0.00 0.00 175.97 175.51 2rnf n ASN 70 N 1.21 2.54 -4.89 6.12 2.04 -1.26 -3.89 115.26 117.13 2rnf n ASN 70 Ca 0.14 -2.07 -0.24 0.00 -0.44 0.00 0.00 54.58 51.96 2rnf n ASN 70 Cb 0.53 -0.51 -0.04 0.00 -2.53 0.00 0.00 39.78 37.23 2rnf n ASN 70 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2rnf s HIS 72 N -1.86 -0.05 0.03 0.00 3.76 0.92 -0.71 115.29 117.38 2rnf s HIS 72 Ca 0.33 0.08 0.07 0.00 -0.15 0.00 0.00 55.06 55.38 2rnf s HIS 72 Cb -0.10 0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.56 2rnf s HIS 72 CO 0.27 -0.26 -0.17 -2.00 -0.85 0.00 0.00 174.74 171.72 2rnf s GLU 73 N -1.04 2.14 0.13 1.40 2.12 -1.26 -0.52 118.70 121.67 2rnf s GLU 73 Ca -0.11 -0.94 -0.06 0.00 0.36 0.00 0.00 54.97 54.21 2rnf s GLU 73 Cb -0.06 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.09 2rnf s GLU 73 CO 0.02 0.55 0.19 0.20 -0.54 0.00 0.00 175.26 175.67 2rnf s GLY 74 N -1.39 0.53 -0.31 -1.50 0.00 -0.15 -4.96 107.32 99.54 2rnf s GLY 74 Ca 0.15 -1.01 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 2rnf s GLY 74 CO 0.05 -1.00 0.01 0.14 0.00 0.00 0.00 173.10 172.30 2rnf s VAL 75 N -3.96 2.74 0.15 1.40 1.01 -1.26 0.15 120.40 120.62 2rnf s VAL 75 Ca 0.16 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.47 2rnf s VAL 75 Cb 0.05 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2rnf s VAL 75 CO -0.02 -0.24 0.04 0.68 0.00 0.00 0.00 175.10 175.56 2rnf s VAL 76 N 1.15 0.31 0.05 2.92 -7.23 -0.66 -4.95 120.40 112.01 2rnf s VAL 76 Ca -0.02 -1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 57.91 2rnf s VAL 76 Cb -0.20 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2rnf s VAL 76 CO -0.03 -0.47 1.11 -0.75 -0.31 0.00 0.00 175.10 174.65 2rnf s LYS 77 N -4.00 4.50 0.20 4.82 2.20 -1.26 -2.67 119.74 123.53 2rnf s LYS 77 Ca 0.24 1.64 -0.01 0.00 -0.36 0.00 0.00 55.97 57.48 2rnf s LYS 77 Cb 0.07 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 2rnf s LYS 77 CO 0.03 -0.14 0.12 0.14 -0.36 0.00 0.00 175.35 175.14 2rnf s VAL 78 N 0.88 0.09 -0.31 4.02 -7.23 -0.68 -0.58 120.40 116.59 2rnf s VAL 78 Ca 0.55 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 2rnf s VAL 78 Cb -0.26 -2.49 0.11 0.00 0.56 0.00 0.00 36.38 34.30 2rnf s VAL 78 CO 0.29 -0.03 0.15 -0.89 -0.31 0.00 0.00 175.10 174.31 2rnf s THR 79 N -4.09 0.03 0.16 5.32 2.01 -0.86 -2.51 115.64 115.69 2rnf s THR 79 Ca 0.38 -1.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 2rnf s THR 79 Cb 0.07 -1.05 -0.07 0.00 0.01 0.00 0.00 72.50 71.46 2rnf s THR 79 CO 0.12 -0.79 0.86 -1.81 -0.69 0.00 0.00 174.62 172.31 2rnf s ASP 80 N 1.83 7.46 -0.11 3.53 1.01 -0.66 -2.34 116.67 127.39 2rnf s ASP 80 Ca 0.11 1.73 0.03 0.00 0.71 0.00 0.00 52.55 55.13 2rnf s ASP 80 Cb -0.18 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.22 2rnf s ASP 80 CO -0.28 0.11 -0.19 0.00 0.21 0.00 0.00 175.17 175.02 2rnf s ARG 82 N 0.70 2.73 0.10 0.00 3.00 -0.86 -1.92 118.95 122.70 2rnf s ARG 82 Ca -0.11 -0.81 -0.31 0.00 0.00 0.00 0.00 55.73 54.50 2rnf s ARG 82 Cb -0.16 -2.12 -0.08 0.00 0.00 0.00 0.00 34.95 32.58 2rnf s ARG 82 CO 0.02 0.20 1.52 0.34 0.00 0.00 0.00 175.30 177.38 2rnf s ASP 83 N 0.28 6.69 0.29 0.23 2.15 0.10 -0.07 116.67 126.35 2rnf s ASP 83 Ca -0.15 2.44 0.26 0.00 0.43 0.00 0.00 52.55 55.52 2rnf s ASP 83 Cb -0.17 -2.58 0.81 0.00 -0.30 0.00 0.00 42.92 40.69 2rnf s ASP 83 CO 0.07 -0.78 1.75 0.71 -0.17 0.00 0.00 175.17 176.75 2rnf h THR 84 N 4.43 0.00 0.00 1.71 1.35 -1.36 -3.47 112.91 115.57 2rnf h THR 84 Ca -0.42 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2rnf h THR 84 Cb 1.20 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2rnf h THR 84 CO 0.90 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.78 2rnf n GLY 85 N 0.86 0.76 0.25 5.82 0.00 -1.26 -4.86 105.19 106.77 2rnf n GLY 85 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.23 2rnf n GLY 85 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2rnf h SER 86 N 0.00 0.00 -5.03 1.61 0.87 -1.90 -3.45 113.55 105.65 2rnf h SER 86 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2rnf h SER 86 Cb 0.02 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 61.85 2rnf h SER 86 CO 0.00 0.00 0.08 -0.55 -0.53 0.00 0.00 176.83 175.83 2rnf s SER 87 N -5.12 -0.42 0.27 6.23 0.15 -1.26 -5.01 113.70 108.53 2rnf s SER 87 Ca 0.00 -0.11 0.07 0.00 0.70 0.00 0.00 55.95 56.61 2rnf s SER 87 Cb 0.10 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.91 2rnf s SER 87 CO 0.45 -0.90 0.29 -0.13 1.20 0.00 0.00 173.24 174.15 2rnf s ARG 88 N -3.63 3.05 0.48 5.44 0.52 -1.26 -4.59 118.95 118.96 2rnf s ARG 88 Ca 0.01 -1.01 -0.23 0.00 -0.52 0.00 0.00 55.73 53.98 2rnf s ARG 88 Cb 0.00 -2.66 -0.09 0.00 0.52 0.00 0.00 34.95 32.72 2rnf s ARG 88 CO -0.11 0.32 1.05 0.00 0.02 0.00 0.00 175.30 176.58 2rnf n ALA 89 N -1.32 0.44 0.22 2.13 0.00 -1.26 -1.93 120.51 118.78 2rnf n ALA 89 Ca -0.06 0.17 0.10 0.00 0.00 0.00 0.00 53.44 53.65 2rnf n ALA 89 Cb 0.58 -2.13 0.36 0.00 0.00 0.00 0.00 19.45 18.26 2rnf n ALA 89 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2rnf h PRO 90 N 1.33 0.00 -3.21 0.00 0.13 -1.87 -3.48 132.00 124.90 2rnf h PRO 90 Ca -0.47 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.96 2rnf h PRO 90 Cb 1.34 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.43 2rnf h PRO 90 CO 0.56 0.18 3.18 0.09 -0.23 0.00 0.00 178.00 181.77 2rnf n ASN 91 N -3.24 7.04 -4.74 1.44 3.02 -0.81 -4.94 115.26 113.03 2rnf n ASN 91 Ca 0.01 -2.82 -0.41 0.00 -0.03 0.00 0.00 54.58 51.34 2rnf n ASN 91 Cb 0.48 -1.53 -0.04 0.00 -0.61 0.00 0.00 39.78 38.08 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 -0.34 3.01 0.19 0.00 1.81 -1.26 -4.93 118.95 117.44 2rnf s ARG 93 Ca 0.47 -0.83 0.06 0.00 -1.72 0.00 0.00 55.73 53.71 2rnf s ARG 93 Cb -0.26 -2.72 -0.04 0.00 -0.45 0.00 0.00 34.95 31.48 2rnf s ARG 93 CO 0.32 -0.25 0.16 0.71 -0.68 0.00 0.00 175.30 175.57 2rnf s TYR 94 N 1.32 3.15 -0.23 -0.53 1.51 -1.26 -0.91 117.35 120.40 2rnf s TYR 94 Ca 0.04 -0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 56.01 2rnf s TYR 94 Cb -0.14 -1.48 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2rnf s TYR 94 CO -0.10 0.52 -0.02 0.50 -1.11 0.00 0.00 175.55 175.35 2rnf s ARG 95 N -3.36 3.38 0.22 -0.62 6.06 0.90 -4.81 118.95 120.72 2rnf s ARG 95 Ca 0.32 -0.63 -0.19 0.00 -2.50 0.00 0.00 55.73 52.72 2rnf s ARG 95 Cb -0.09 -3.09 -0.08 0.00 0.06 0.00 0.00 34.95 31.75 2rnf s ARG 95 CO 0.24 -0.22 0.72 0.00 -2.50 0.00 0.00 175.30 173.54 2rnf s ALA 96 N 1.50 3.42 -0.32 6.12 0.00 -1.26 -2.02 121.76 129.19 2rnf s ALA 96 Ca 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.15 2rnf s ALA 96 Cb -0.15 -2.81 0.11 0.00 0.00 0.00 0.00 23.12 20.27 2rnf s ALA 96 CO -0.02 0.33 0.14 0.42 0.00 0.00 0.00 175.76 176.64 2rnf s ILE 97 N -1.52 0.40 0.14 0.00 1.01 -0.38 -4.83 121.20 116.03 2rnf s ILE 97 Ca 0.43 -1.28 -0.25 0.00 0.00 0.00 0.00 60.65 59.54 2rnf s ILE 97 Cb -0.17 -1.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.91 2rnf s ILE 97 CO 0.21 -0.77 0.78 0.00 0.00 0.00 0.00 174.94 175.16 2rnf s ALA 98 N 1.62 3.42 -0.09 9.38 0.00 -1.26 -1.66 121.76 133.17 2rnf s ALA 98 Ca 0.12 0.36 -0.33 0.00 0.00 0.00 0.00 51.96 52.11 2rnf s ALA 98 Cb -0.18 -2.98 0.13 0.00 0.00 0.00 0.00 23.12 20.09 2rnf s ALA 98 CO -0.23 0.23 1.30 -1.54 0.00 0.00 0.00 175.76 175.52 2rnf s SER 99 N -0.86 -0.06 -0.50 0.00 1.04 -1.05 -5.01 113.70 107.26 2rnf s SER 99 Ca 0.37 -0.07 -0.02 0.00 0.48 0.00 0.00 55.95 56.71 2rnf s SER 99 Cb -0.23 0.12 0.13 0.00 0.10 0.00 0.00 66.02 66.15 2rnf s SER 99 CO 0.26 -0.21 0.30 -0.89 0.98 0.00 0.00 173.24 173.67 2rnf s THR 100 N -2.32 3.36 0.43 2.02 2.01 -1.26 -1.69 115.64 118.19 2rnf s THR 100 Ca 0.13 -2.54 0.06 0.00 0.31 0.00 0.00 61.69 59.65 2rnf s THR 100 Cb 0.04 -3.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.22 2rnf s THR 100 CO -0.04 -0.77 0.01 0.00 -0.69 0.00 0.00 174.62 173.13 2rnf s ARG 101 N 0.52 2.02 -0.19 4.92 1.70 -1.09 -4.88 118.95 121.96 2rnf s ARG 101 Ca 0.13 -2.17 -0.23 0.00 -0.47 0.00 0.00 55.73 52.98 2rnf s ARG 101 Cb -0.22 -1.62 -0.02 0.00 -0.57 0.00 0.00 34.95 32.52 2rnf s ARG 101 CO -0.04 -0.13 0.73 0.50 -1.08 0.00 0.00 175.30 175.29 2rnf s ARG 102 N -3.76 4.24 0.29 3.89 3.52 -1.26 -1.65 118.95 124.22 2rnf s ARG 102 Ca 0.28 0.81 0.09 0.00 -0.13 0.00 0.00 55.73 56.78 2rnf s ARG 102 Cb 0.08 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.84 2rnf s ARG 102 CO 0.15 -0.31 0.04 0.08 -0.81 0.00 0.00 175.30 174.45 2rnf s VAL 103 N 2.12 3.38 -0.18 7.11 1.01 0.39 -4.93 120.40 129.30 2rnf s VAL 103 Ca 0.33 -1.84 0.01 0.00 0.00 0.00 0.00 61.98 60.48 2rnf s VAL 103 Cb -0.16 -2.91 0.03 0.00 0.00 0.00 0.00 36.38 33.35 2rnf s VAL 103 CO 0.11 -0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.08 2rnf s VAL 104 N -2.34 1.61 -0.02 2.92 1.01 -1.26 -0.98 120.40 121.33 2rnf s VAL 104 Ca 0.33 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.52 2rnf s VAL 104 Cb -0.05 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2rnf s VAL 104 CO 0.21 0.30 -0.16 -0.63 0.00 0.00 0.00 175.10 174.82 2rnf s ILE 105 N 1.44 2.92 -0.24 2.22 -1.09 0.32 -0.79 121.20 125.97 2rnf s ILE 105 Ca 0.02 -0.89 -0.10 0.00 -2.23 0.00 0.00 60.65 57.45 2rnf s ILE 105 Cb -0.15 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 2rnf s ILE 105 CO -0.09 0.51 0.14 0.00 -1.23 0.00 0.00 174.94 174.27 2rnf s ALA 106 N -0.78 3.48 0.08 9.38 0.00 -0.57 -0.06 121.76 133.29 2rnf s ALA 106 Ca 0.12 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.18 2rnf s ALA 106 Cb -0.11 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 2rnf s ALA 106 CO 0.02 -0.29 -0.09 0.00 0.00 0.00 0.00 175.76 175.40 2rnf s GLU 108 N -2.05 0.80 0.11 0.00 -1.05 0.44 -4.79 118.70 112.16 2rnf s GLU 108 Ca 0.21 -1.27 0.00 0.00 -0.15 0.00 0.00 54.97 53.75 2rnf s GLU 108 Cb -0.11 -0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.37 2rnf s GLU 108 CO 0.13 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.74 2rnf n GLY 109 N 0.12 -3.06 3.10 -3.83 0.00 -1.26 -0.43 105.19 99.82 2rnf n GLY 109 Ca -0.13 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.82 -1.11 0.48 1.61 2.47 -1.26 -3.53 114.94 111.78 2rnf s ASN 110 Ca 0.00 -0.12 -0.21 0.00 0.42 0.00 0.00 52.86 52.96 2rnf s ASN 110 Cb 0.00 1.79 -0.11 0.00 -1.45 0.00 0.00 41.25 41.48 2rnf s ASN 110 CO 0.00 -0.29 0.61 -0.81 -3.72 0.00 0.00 177.10 172.89 2rnf n PRO 111 N 5.24 0.67 -2.73 0.43 -0.04 -1.26 -5.14 135.00 132.17 2rnf n PRO 111 Ca 0.05 0.25 -0.37 0.00 -0.04 0.00 0.00 63.50 63.39 2rnf n PRO 111 Cb 0.53 -1.67 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 2rnf n PRO 111 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2rnf s GLN 112 N -1.85 4.52 -0.02 0.54 -0.21 -1.23 -4.92 119.66 116.48 2rnf s GLN 112 Ca 0.66 1.37 -0.01 0.00 0.02 0.00 0.00 55.36 57.40 2rnf s GLN 112 Cb -0.53 -2.76 0.02 0.00 1.00 0.00 0.00 33.01 30.73 2rnf s GLN 112 CO 0.56 0.21 0.05 0.08 -2.12 0.00 0.00 175.29 174.07 2rnf s VAL 113 N -1.62 -0.03 0.20 1.09 1.01 0.43 -4.88 120.40 116.61 2rnf s VAL 113 Ca 0.51 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.29 2rnf s VAL 113 Cb -0.19 -0.09 -0.11 0.00 0.00 0.00 0.00 36.38 35.98 2rnf s VAL 113 CO 0.25 0.04 1.60 -2.16 0.00 0.00 0.00 175.10 174.83 2rnf s PRO 114 N 0.59 4.18 0.00 2.72 0.04 -1.26 -0.42 135.00 140.85 2rnf s PRO 114 Ca -0.05 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2rnf s PRO 114 Cb -0.07 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2rnf s PRO 114 CO -0.02 -0.63 0.00 1.33 0.04 0.00 0.00 177.00 177.72 2rnf n VAL 115 N 3.57 0.00 -3.74 -0.36 0.24 -0.14 -4.29 118.33 113.61 2rnf n VAL 115 Ca 0.13 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.29 2rnf n VAL 115 Cb 0.38 -0.38 -0.15 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.45 -0.15 -0.37 6.34 5.65 -1.15 -4.55 115.29 119.60 2rnf s HIS 116 Ca 0.00 0.47 -0.29 0.00 0.25 0.00 0.00 55.06 55.50 2rnf s HIS 116 Cb 0.00 -0.11 0.00 0.00 -1.18 0.00 0.00 32.58 31.29 2rnf s HIS 116 CO 0.00 -0.17 1.42 0.12 -0.65 0.00 0.00 174.74 175.45 2rnf s PHE 117 N 1.29 2.41 -0.14 3.88 2.19 -1.26 -1.52 117.98 124.84 2rnf s PHE 117 Ca -0.08 0.70 -0.26 0.00 0.33 0.00 0.00 56.93 57.62 2rnf s PHE 117 Cb -0.12 -4.20 -0.24 0.00 -1.31 0.00 0.00 43.02 37.16 2rnf s PHE 117 CO -0.06 -2.02 0.67 0.22 1.83 0.00 0.00 175.22 175.86 2rnf h ASP 118 N 10.51 0.00 0.00 6.13 3.58 -1.31 -3.48 116.42 131.84 2rnf h ASP 118 Ca -0.28 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.28 2rnf h ASP 118 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2rnf h ASP 118 CO 1.07 1.01 0.00 0.61 -2.88 0.00 0.00 179.24 179.05