#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw5 s PRO 2 N 0.00 3.57 0.48 1.96 0.04 -1.26 -4.91 135.00 134.88 1rw5 s PRO 2 Ca 0.00 2.16 0.15 0.00 0.04 0.00 0.00 61.00 63.34 1rw5 s PRO 2 Cb 0.00 -2.49 1.11 0.00 0.04 0.00 0.00 34.50 33.16 1rw5 s PRO 2 CO 0.00 -0.82 2.07 0.82 0.04 0.00 0.00 177.00 179.11 1rw5 h ILE 3 N 1.94 1.07 -3.55 0.56 2.04 -2.02 -3.32 117.51 114.23 1rw5 h ILE 3 Ca -0.50 -0.32 -0.70 0.00 1.00 0.00 0.00 64.86 64.34 1rw5 h ILE 3 Cb 1.27 1.13 -0.35 0.00 -0.74 0.00 0.00 36.82 38.13 1rw5 h ILE 3 CO 0.60 0.09 -0.35 0.00 0.00 0.00 0.00 178.15 178.49 1rw5 s PRO 5 N -0.13 4.16 6.06 0.00 0.04 -1.25 -4.65 135.00 139.23 1rw5 s PRO 5 Ca 0.17 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1rw5 s PRO 5 Cb -0.20 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1rw5 s PRO 5 CO -0.03 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1rw5 n GLY 6 N 4.14 3.80 3.05 0.56 0.00 -1.26 -4.54 105.19 110.94 1rw5 n GLY 6 Ca 0.17 0.17 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 1rw5 n GLY 6 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rw5 s GLY 7 N 0.00 0.51 -0.02 -0.02 0.00 -1.26 -5.15 107.32 101.38 1rw5 s GLY 7 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.08 1rw5 s GLY 7 CO 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 173.10 172.53 1rw5 s ALA 8 N -0.85 -0.09 0.37 3.20 0.00 -1.26 -5.00 121.76 118.13 1rw5 s ALA 8 Ca -0.03 0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.20 1rw5 s ALA 8 Cb -0.07 -0.15 0.73 0.00 0.00 0.00 0.00 23.12 23.63 1rw5 s ALA 8 CO 0.00 -0.05 1.97 0.00 0.00 0.00 0.00 175.76 177.68 1rw5 h ALA 9 N 6.42 1.54 -0.77 0.00 0.00 -2.00 -0.96 119.26 123.49 1rw5 h ALA 9 Ca -0.30 -0.11 -0.42 0.00 0.00 0.00 0.00 54.91 54.08 1rw5 h ALA 9 Cb 1.18 -0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.57 1rw5 h ALA 9 CO 0.47 0.36 0.37 2.89 0.00 0.00 0.00 179.25 183.34 1rw5 n ARG 10 N -4.38 2.19 -0.18 0.00 1.85 -1.26 -4.66 116.66 110.22 1rw5 n ARG 10 Ca 0.03 -3.14 0.23 0.00 -1.00 0.00 0.00 57.85 53.96 1rw5 n ARG 10 Cb 0.14 -2.07 0.63 0.00 -1.05 0.00 0.00 32.46 30.11 1rw5 n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1rw5 s GLN 12 N -5.18 1.49 0.15 0.00 -0.21 -1.26 -4.93 119.66 109.72 1rw5 s GLN 12 Ca -0.06 -1.54 0.07 0.00 0.02 0.00 0.00 55.36 53.85 1rw5 s GLN 12 Cb 0.22 -1.70 -0.04 0.00 1.00 0.00 0.00 33.01 32.48 1rw5 s GLN 12 CO 0.77 0.36 -0.16 0.14 -2.12 0.00 0.00 175.29 174.27 1rw5 s VAL 13 N -1.91 1.62 0.16 1.09 -7.23 -1.26 -5.11 120.40 107.75 1rw5 s VAL 13 Ca 0.21 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 1rw5 s VAL 13 Cb -0.07 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 35.05 1rw5 s VAL 13 CO 0.10 -0.38 1.24 -0.89 -0.31 0.00 0.00 175.10 174.86 1rw5 s THR 14 N -2.18 3.56 0.22 5.32 2.01 -1.26 -4.91 115.64 118.40 1rw5 s THR 14 Ca 0.14 1.24 -0.08 0.00 0.31 0.00 0.00 61.69 63.29 1rw5 s THR 14 Cb -0.05 -3.79 0.16 0.00 0.01 0.00 0.00 72.50 68.83 1rw5 s THR 14 CO 0.05 0.16 1.81 0.25 -0.69 0.00 0.00 174.62 176.21 1rw5 h LEU 15 N 5.75 0.59 -0.30 4.42 5.85 -1.99 -0.54 115.31 129.10 1rw5 h LEU 15 Ca -0.44 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1rw5 h LEU 15 Cb 1.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1rw5 h LEU 15 CO 0.78 0.38 0.13 -0.09 -0.34 0.00 0.00 178.44 179.29 1rw5 h ARG 16 N 0.72 0.43 0.49 1.25 2.43 -1.93 -0.08 114.38 117.70 1rw5 h ARG 16 Ca 0.31 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1rw5 h ARG 16 Cb 0.20 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1rw5 h ARG 16 CO -0.19 0.43 -0.24 0.22 -1.51 0.00 0.00 179.97 178.69 1rw5 h ASP 17 N 0.33 -0.56 -0.73 -3.80 3.58 -1.79 0.61 116.42 114.07 1rw5 h ASP 17 Ca 0.10 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1rw5 h ASP 17 Cb 0.15 0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1rw5 h ASP 17 CO -0.01 -0.26 0.41 0.25 -2.88 0.00 0.00 179.24 176.75 1rw5 h LEU 18 N -0.86 0.90 -0.42 2.28 7.12 -1.16 -1.10 115.31 122.07 1rw5 h LEU 18 Ca -0.07 -0.09 -0.05 0.00 0.13 0.00 0.00 57.88 57.80 1rw5 h LEU 18 Cb 0.59 -0.23 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 1rw5 h LEU 18 CO 0.11 0.72 0.06 0.15 -0.13 0.00 0.00 178.44 179.35 1rw5 h PHE 19 N 1.00 0.75 -0.82 1.25 3.57 -0.96 -0.71 116.94 121.02 1rw5 h PHE 19 Ca 0.26 -0.11 0.10 0.00 3.53 0.00 0.00 57.97 61.75 1rw5 h PHE 19 Cb 0.02 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 1rw5 h PHE 19 CO -0.00 0.73 0.53 0.22 -2.23 0.00 0.00 178.31 177.56 1rw5 h ASP 20 N 0.55 0.69 -0.37 0.41 3.58 0.75 0.30 116.42 122.33 1rw5 h ASP 20 Ca 0.13 0.02 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 1rw5 h ASP 20 Cb 0.39 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1rw5 h ASP 20 CO 0.01 0.41 -0.29 0.03 -2.88 0.00 0.00 179.24 176.52 1rw5 h ARG 21 N 0.76 0.89 -0.34 0.28 3.08 -0.61 -2.29 114.38 116.15 1rw5 h ARG 21 Ca 0.38 -0.41 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1rw5 h ARG 21 Cb 0.45 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1rw5 h ARG 21 CO -0.15 1.06 -0.15 0.00 -1.07 0.00 0.00 179.97 179.66 1rw5 h ALA 22 N 0.91 1.10 -0.39 0.04 0.00 0.84 0.83 119.26 122.59 1rw5 h ALA 22 Ca 0.09 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1rw5 h ALA 22 Cb 0.85 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1rw5 h ALA 22 CO 0.07 0.56 -0.13 0.28 0.00 0.00 0.00 179.25 180.03 1rw5 h VAL 23 N 0.55 1.28 0.10 0.00 2.07 -0.35 -2.11 116.25 117.79 1rw5 h VAL 23 Ca 0.09 -1.24 -0.27 0.00 0.82 0.00 0.00 66.70 66.10 1rw5 h VAL 23 Cb 0.58 1.26 0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1rw5 h VAL 23 CO 0.04 0.41 -1.18 0.58 0.02 0.00 0.00 177.57 177.44 1rw5 h VAL 24 N 0.58 1.38 -0.57 2.57 2.07 -1.20 -3.25 116.25 117.84 1rw5 h VAL 24 Ca 0.09 -2.65 0.02 0.00 0.82 0.00 0.00 66.70 64.98 1rw5 h VAL 24 Cb 0.67 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 33.12 1rw5 h VAL 24 CO 0.05 0.79 0.38 0.25 0.02 0.00 0.00 177.57 179.05 1rw5 h LEU 25 N 0.19 0.60 -1.42 2.57 5.85 0.73 -1.42 115.31 122.42 1rw5 h LEU 25 Ca -0.15 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1rw5 h LEU 25 Cb 1.86 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1rw5 h LEU 25 CO 0.21 0.42 -0.09 0.77 -0.34 0.00 0.00 178.44 179.41 1rw5 h SER 26 N 0.70 0.25 0.18 1.25 4.64 -1.41 -2.21 113.55 116.95 1rw5 h SER 26 Ca 0.22 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 1rw5 h SER 26 Cb 0.03 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1rw5 h SER 26 CO -0.06 0.38 -0.48 -0.74 -0.87 0.00 0.00 176.83 175.07 1rw5 h HIS 27 N 0.26 0.43 -0.25 4.77 -0.00 -1.36 -3.04 115.15 115.96 1rw5 h HIS 27 Ca 0.06 -0.13 0.02 0.00 -0.00 0.00 0.00 60.37 60.31 1rw5 h HIS 27 Cb 0.33 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 1rw5 h HIS 27 CO 0.01 0.76 0.11 -0.92 -0.00 0.00 0.00 177.93 177.89 1rw5 h TYR 28 N 0.28 0.19 -0.27 5.26 3.20 -1.25 -0.85 116.97 123.54 1rw5 h TYR 28 Ca 0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1rw5 h TYR 28 Cb 0.94 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1rw5 h TYR 28 CO 0.02 0.10 0.18 0.82 -1.64 0.00 0.00 178.16 177.65 1rw5 h ILE 29 N 0.23 1.03 -0.26 1.81 2.04 -1.50 -1.01 117.51 119.86 1rw5 h ILE 29 Ca 0.11 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1rw5 h ILE 29 Cb 0.05 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1rw5 h ILE 29 CO -0.09 0.06 0.14 -0.74 0.00 0.00 0.00 178.15 177.52 1rw5 h HIS 30 N 0.31 0.27 -0.52 1.37 2.76 -1.06 0.25 115.15 118.53 1rw5 h HIS 30 Ca 0.10 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 1rw5 h HIS 30 Cb 0.05 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 1rw5 h HIS 30 CO -0.00 0.16 0.24 -0.97 -1.30 0.00 0.00 177.93 176.06 1rw5 h ASN 31 N 0.30 0.69 0.75 3.26 -1.24 -0.79 0.63 115.58 119.18 1rw5 h ASN 31 Ca 0.10 -0.14 -0.04 0.00 0.71 0.00 0.00 56.30 56.94 1rw5 h ASN 31 Cb 0.01 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 38.89 1rw5 h ASN 31 CO -0.06 0.64 -0.36 -0.07 -1.29 0.00 0.00 177.43 176.29 1rw5 h LEU 32 N 0.70 -0.85 -1.05 0.34 3.38 -0.60 0.52 115.31 117.75 1rw5 h LEU 32 Ca 0.18 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1rw5 h LEU 32 Cb 0.14 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1rw5 h LEU 32 CO -0.02 -0.60 0.05 0.77 0.09 0.00 0.00 178.44 178.72 1rw5 h SER 33 N -1.01 0.69 0.12 -0.43 4.64 -0.44 0.44 113.55 117.56 1rw5 h SER 33 Ca -0.10 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1rw5 h SER 33 Cb 0.77 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1rw5 h SER 33 CO 0.17 0.73 -0.06 0.28 -0.87 0.00 0.00 176.83 177.08 1rw5 h SER 34 N 0.69 -0.14 -0.05 4.97 0.02 0.50 -2.61 113.55 116.94 1rw5 h SER 34 Ca 0.15 -0.36 -0.15 0.00 -0.84 0.00 0.00 61.79 60.58 1rw5 h SER 34 Cb 0.36 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.95 1rw5 h SER 34 CO 0.01 0.32 -0.57 -0.33 -1.14 0.00 0.00 176.83 175.13 1rw5 h GLU 35 N -0.64 0.47 -0.96 3.45 5.08 0.08 -2.67 114.58 119.38 1rw5 h GLU 35 Ca -0.02 -0.44 0.11 0.00 -1.00 0.00 0.00 59.36 58.01 1rw5 h GLU 35 Cb 0.49 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.77 1rw5 h GLU 35 CO 0.03 1.08 0.60 1.98 -1.00 0.00 0.00 179.01 181.70 1rw5 h MET 36 N 0.02 0.95 -0.26 2.33 4.05 -0.23 0.31 114.93 122.10 1rw5 h MET 36 Ca -0.06 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.24 1rw5 h MET 36 Cb 1.24 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1rw5 h MET 36 CO 0.11 0.63 -0.10 0.35 0.23 0.00 0.00 176.91 178.13 1rw5 h PHE 37 N 0.98 0.61 -0.69 1.39 3.57 -1.49 -2.51 116.94 118.80 1rw5 h PHE 37 Ca 0.46 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.85 1rw5 h PHE 37 Cb 0.41 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1rw5 h PHE 37 CO -0.02 0.77 0.43 1.03 -2.23 0.00 0.00 178.31 178.30 1rw5 h SER 38 N 0.27 0.71 -0.63 0.41 0.87 -0.90 0.53 113.55 114.82 1rw5 h SER 38 Ca 0.06 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1rw5 h SER 38 Cb 0.60 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1rw5 h SER 38 CO 0.03 0.49 0.41 -0.33 -0.53 0.00 0.00 176.83 176.90 1rw5 h GLU 39 N 0.84 0.81 -0.13 2.24 5.08 -0.88 0.75 114.58 123.28 1rw5 h GLU 39 Ca 0.28 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1rw5 h GLU 39 Cb 0.02 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1rw5 h GLU 39 CO -0.11 0.53 0.01 0.35 -1.00 0.00 0.00 179.01 178.79 1rw5 h PHE 40 N 0.83 0.25 -0.60 4.33 3.57 -0.87 -2.44 116.94 122.02 1rw5 h PHE 40 Ca 0.23 -0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.84 1rw5 h PHE 40 Cb -0.07 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 1rw5 h PHE 40 CO -0.03 0.45 0.42 0.22 -2.23 0.00 0.00 178.31 177.14 1rw5 h ASP 41 N -0.02 0.14 0.21 0.41 3.58 0.60 0.48 116.42 121.83 1rw5 h ASP 41 Ca 0.04 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1rw5 h ASP 41 Cb 0.35 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1rw5 h ASP 41 CO 0.01 0.07 -0.20 0.29 -2.88 0.00 0.00 179.24 176.53 1rw5 n LYS 42 N -4.41 0.94 -0.03 0.28 4.01 0.21 0.13 118.16 119.28 1rw5 n LYS 42 Ca 0.11 -0.53 -0.03 0.00 -0.51 0.00 0.00 58.31 57.35 1rw5 n LYS 42 Cb 0.57 -1.49 -0.01 0.00 -0.51 0.00 0.00 35.03 33.59 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1rw5 n ARG 43 N -0.56 0.18 0.08 1.97 1.74 0.13 -4.26 116.66 115.94 1rw5 n ARG 43 Ca 0.13 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.40 1rw5 n ARG 43 Cb 0.34 -0.78 -0.01 0.00 -1.02 0.00 0.00 32.46 30.99 1rw5 n ARG 43 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rw5 n TYR 44 N -3.23 0.78 -1.41 -1.55 4.02 -1.04 -4.23 117.16 110.50 1rw5 n TYR 44 Ca -0.05 0.23 0.07 0.00 -0.01 0.00 0.00 57.90 58.14 1rw5 n TYR 44 Cb 0.18 -0.85 0.16 0.00 -0.02 0.00 0.00 39.34 38.80 1rw5 n TYR 44 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1rw5 n THR 45 N -2.55 1.84 -0.28 -0.72 -2.24 -1.20 -4.71 114.28 104.42 1rw5 n THR 45 Ca -0.00 -2.51 0.04 0.00 -2.27 0.00 0.00 64.05 59.31 1rw5 n THR 45 Cb 0.54 -0.14 0.19 0.00 -2.10 0.00 0.00 70.33 68.81 1rw5 n THR 45 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1rw5 h HIS 46 N 0.48 0.73 -0.06 4.78 6.17 -0.49 -3.36 115.15 123.40 1rw5 h HIS 46 Ca -0.01 0.03 -0.19 0.00 0.71 0.00 0.00 60.37 60.91 1rw5 h HIS 46 Cb 1.06 -0.21 -0.18 0.00 2.52 0.00 0.00 27.41 30.61 1rw5 h HIS 46 CO 0.34 0.23 -0.38 0.41 0.71 0.00 0.00 177.93 179.24 1rw5 n GLY 47 N -1.32 1.89 0.30 5.26 0.00 -1.26 -4.94 105.19 105.12 1rw5 n GLY 47 Ca 0.14 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.94 1rw5 n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1rw5 h ARG 48 N 1.36 0.50 0.00 1.61 3.08 -1.85 -3.46 114.38 115.63 1rw5 h ARG 48 Ca -0.39 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1rw5 h ARG 48 Cb 1.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1rw5 h ARG 48 CO -0.12 0.36 0.00 0.41 -1.07 0.00 0.00 179.97 179.55 1rw5 n GLY 49 N -1.39 0.70 0.52 0.04 0.00 -1.26 -4.92 105.19 98.87 1rw5 n GLY 49 Ca 0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.36 1rw5 n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rw5 n PHE 50 N -2.76 0.00 -0.09 1.61 -1.74 -1.26 -4.87 117.46 108.35 1rw5 n PHE 50 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 1rw5 n PHE 50 Cb 0.10 0.06 0.00 0.00 1.52 0.00 0.00 39.48 41.17 1rw5 n PHE 50 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64 1rw5 n ILE 51 N 0.01 0.00 0.39 1.97 -5.35 -1.26 -4.66 119.36 110.45 1rw5 n ILE 51 Ca -0.00 -0.45 0.07 0.00 -0.27 0.00 0.00 62.75 62.10 1rw5 n ILE 51 Cb 0.63 1.09 0.29 0.00 -1.74 0.00 0.00 39.64 39.91 1rw5 n ILE 51 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1rw5 n THR 52 N -0.15 1.16 -1.68 7.28 -2.24 -1.26 -4.76 114.28 112.63 1rw5 n THR 52 Ca 0.00 0.31 -0.49 0.00 -2.27 0.00 0.00 64.05 61.60 1rw5 n THR 52 Cb 0.02 -1.14 -0.05 0.00 -2.10 0.00 0.00 70.33 67.07 1rw5 n THR 52 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1rw5 n LYS 53 N -1.62 2.01 -2.00 -0.78 5.02 -1.26 -4.79 118.16 114.74 1rw5 n LYS 53 Ca 0.03 0.73 -0.25 0.00 -2.02 0.00 0.00 58.31 56.79 1rw5 n LYS 53 Cb 0.14 -2.53 -0.06 0.00 -0.02 0.00 0.00 35.03 32.56 1rw5 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rw5 s ALA 54 N 3.08 1.57 -0.20 7.82 0.00 -1.26 -4.90 121.76 127.86 1rw5 s ALA 54 Ca 0.90 -1.59 -0.05 0.00 0.00 0.00 0.00 51.96 51.22 1rw5 s ALA 54 Cb -0.74 -4.59 -0.02 0.00 0.00 0.00 0.00 23.12 17.77 1rw5 s ALA 54 CO 0.50 -5.08 -0.01 0.42 0.00 0.00 0.00 175.76 171.59 1rw5 s ILE 55 N 10.94 3.83 -0.27 0.00 -1.09 -1.26 -4.95 121.20 128.40 1rw5 s ILE 55 Ca 0.72 -0.35 0.22 0.00 -2.23 0.00 0.00 60.65 59.01 1rw5 s ILE 55 Cb -0.06 -2.73 0.50 0.00 -1.58 0.00 0.00 42.46 38.58 1rw5 s ILE 55 CO 0.04 0.43 1.16 -0.46 -1.23 0.00 0.00 174.94 174.88 1rw5 n ASN 56 N 4.36 1.18 0.00 3.58 6.94 -1.26 -4.86 115.26 125.20 1rw5 n ASN 56 Ca -0.17 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 52.33 1rw5 n ASN 56 Cb 0.52 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1rw5 n ASN 56 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1rw5 n SER 57 N -0.72 0.00 -1.29 0.53 7.64 -1.26 -4.99 113.62 113.54 1rw5 n SER 57 Ca 0.04 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.78 1rw5 n SER 57 Cb 0.81 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rw5 n HIS 59 N -1.37 0.73 0.36 0.00 8.25 -1.26 -3.99 115.22 117.93 1rw5 n HIS 59 Ca 0.00 0.23 0.14 0.00 -0.26 0.00 0.00 57.72 57.83 1rw5 n HIS 59 Cb 0.12 -0.95 0.56 0.00 1.12 0.00 0.00 29.99 30.84 1rw5 n HIS 59 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1rw5 h THR 60 N 0.00 0.00 -0.51 1.59 1.35 -1.96 -2.92 112.91 110.45 1rw5 h THR 60 Ca -0.13 -0.32 0.13 0.00 -0.55 0.00 0.00 66.41 65.54 1rw5 h THR 60 Cb 1.39 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1rw5 h THR 60 CO 0.02 0.00 0.36 0.28 -0.25 0.00 0.00 175.52 175.93 1rw5 h SER 61 N 0.00 0.10 -0.00 5.36 0.02 -1.82 0.22 113.55 117.43 1rw5 h SER 61 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rw5 h SER 61 Cb 0.41 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1rw5 h SER 61 CO 0.00 0.06 0.00 0.77 -1.14 0.00 0.00 176.83 176.52 1rw5 h SER 62 N 0.11 0.00 -4.14 3.07 4.64 -1.80 -3.43 113.55 112.00 1rw5 h SER 62 Ca 0.24 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.01 1rw5 h SER 62 Cb 0.81 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.07 1rw5 h SER 62 CO -0.03 0.00 0.46 -0.76 -0.87 0.00 0.00 176.83 175.64 1rw5 s LEU 63 N -7.28 3.44 -1.24 5.97 2.01 0.77 -4.80 118.68 117.54 1rw5 s LEU 63 Ca -0.05 2.55 -0.11 0.00 0.01 0.00 0.00 54.13 56.53 1rw5 s LEU 63 Cb 0.15 -4.61 -0.06 0.00 0.01 0.00 0.00 46.19 41.67 1rw5 s LEU 63 CO 0.51 -2.23 2.39 0.00 1.01 0.00 0.00 176.35 178.04 1rw5 n ALA 64 N -2.35 5.62 -1.97 4.21 0.00 -1.26 -4.91 120.51 119.85 1rw5 n ALA 64 Ca 0.15 -3.11 -0.30 0.00 0.00 0.00 0.00 53.44 50.18 1rw5 n ALA 64 Cb 0.49 -3.34 0.02 0.00 0.00 0.00 0.00 19.45 16.62 1rw5 n ALA 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rw5 s THR 65 N 3.21 4.35 0.20 0.00 -4.23 -1.26 -4.97 115.64 112.93 1rw5 s THR 65 Ca 0.54 0.56 -0.32 0.00 -1.18 0.00 0.00 61.69 61.28 1rw5 s THR 65 Cb 0.14 -3.73 -0.14 0.00 1.34 0.00 0.00 72.50 70.11 1rw5 s THR 65 CO -0.03 -0.90 1.34 -0.81 -0.54 0.00 0.00 174.62 173.69 1rw5 n PRO 66 N -2.70 1.70 -0.06 3.99 -0.04 -1.26 -4.86 135.00 131.77 1rw5 n PRO 66 Ca 0.05 0.61 0.01 0.00 -0.04 0.00 0.00 63.50 64.13 1rw5 n PRO 66 Cb 0.55 -2.22 0.33 0.00 -0.04 0.00 0.00 33.50 32.12 1rw5 n PRO 66 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rw5 h GLU 67 N 4.17 0.66 -3.14 0.54 4.39 -1.93 -3.46 114.58 115.81 1rw5 h GLU 67 Ca -0.45 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.19 1rw5 h GLU 67 Cb 1.30 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.77 1rw5 h GLU 67 CO 0.76 0.52 0.17 0.16 -1.16 0.00 0.00 179.01 179.45 1rw5 s ASP 68 N -6.62 -0.11 0.40 1.42 1.47 -1.26 -5.01 116.67 106.95 1rw5 s ASP 68 Ca -0.09 -0.83 0.06 0.00 1.18 0.00 0.00 52.55 52.87 1rw5 s ASP 68 Cb 0.17 0.74 0.81 0.00 -0.34 0.00 0.00 42.92 44.29 1rw5 s ASP 68 CO 0.76 -1.41 2.03 0.07 0.68 0.00 0.00 175.17 177.30 1rw5 h LYS 69 N 2.04 0.57 -0.24 2.11 2.10 -1.99 -0.00 116.57 121.15 1rw5 h LYS 69 Ca -0.24 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.31 1rw5 h LYS 69 Cb 1.25 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1rw5 h LYS 69 CO 0.30 0.40 -0.07 0.93 -2.00 0.00 0.00 179.45 179.01 1rw5 h GLU 70 N 0.58 0.47 -0.36 0.07 5.08 -1.99 -2.67 114.58 115.76 1rw5 h GLU 70 Ca 0.15 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1rw5 h GLU 70 Cb -0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1rw5 h GLU 70 CO -0.03 0.70 -0.19 0.37 -1.00 0.00 0.00 179.01 178.86 1rw5 h GLN 71 N 0.20 0.68 -0.57 2.33 5.75 -1.85 -2.50 115.11 119.16 1rw5 h GLN 71 Ca 0.06 -0.25 0.05 0.00 -0.15 0.00 0.00 58.65 58.36 1rw5 h GLN 71 Cb 0.54 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.99 1rw5 h GLN 71 CO 0.03 0.83 0.29 0.00 -2.65 0.00 0.00 178.83 177.33 1rw5 h ALA 72 N 1.18 0.74 -0.90 3.38 0.00 -0.87 0.62 119.26 123.41 1rw5 h ALA 72 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rw5 h ALA 72 Cb 0.67 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1rw5 h ALA 72 CO 0.05 -0.05 0.56 0.37 0.00 0.00 0.00 179.25 180.18 1rw5 h GLN 73 N 0.55 1.21 -0.13 0.00 4.15 -1.22 -0.13 115.11 119.54 1rw5 h GLN 73 Ca 0.25 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 1rw5 h GLN 73 Cb 0.17 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1rw5 h GLN 73 CO -0.18 0.83 -0.19 1.96 -1.93 0.00 0.00 178.83 179.32 1rw5 h GLN 74 N 1.24 0.21 -6.40 1.69 4.20 -0.28 -3.41 115.11 112.35 1rw5 h GLN 74 Ca 0.33 -0.06 -0.54 0.00 0.06 0.00 0.00 58.65 58.44 1rw5 h GLN 74 Cb -0.09 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1rw5 h GLN 74 CO -0.06 0.40 0.47 -1.64 -0.67 0.00 0.00 178.83 177.33 1rw5 s MET 75 N -4.60 4.50 -0.08 1.46 -1.94 0.19 -4.89 119.30 113.93 1rw5 s MET 75 Ca -0.05 1.52 0.25 0.00 -1.71 0.00 0.00 55.69 55.70 1rw5 s MET 75 Cb 0.15 -3.45 0.45 0.00 2.01 0.00 0.00 34.83 33.99 1rw5 s MET 75 CO 0.74 -0.16 1.15 0.27 -0.01 0.00 0.00 175.02 177.00 1rw5 n ASN 76 N 4.15 1.15 -2.75 3.03 6.94 -1.26 -4.91 115.26 121.61 1rw5 n ASN 76 Ca 0.07 -2.01 -0.06 0.00 -0.02 0.00 0.00 54.58 52.57 1rw5 n ASN 76 Cb 0.49 -0.35 0.01 0.00 -2.36 0.00 0.00 39.78 37.57 1rw5 n ASN 76 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rw5 n GLN 77 N 0.18 1.11 0.27 -3.83 6.02 -1.26 -4.97 117.38 114.90 1rw5 n GLN 77 Ca 0.06 -0.86 0.17 0.00 -0.01 0.00 0.00 57.00 56.36 1rw5 n GLN 77 Cb 1.05 0.02 0.90 0.00 1.02 0.00 0.00 30.24 33.23 1rw5 n GLN 77 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1rw5 h LYS 78 N 0.00 0.00 -0.90 -1.09 1.57 -2.00 -2.76 116.57 111.39 1rw5 h LYS 78 Ca -0.08 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.84 1rw5 h LYS 78 Cb 0.33 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.55 1rw5 h LYS 78 CO 0.12 0.00 0.51 -0.44 -0.57 0.00 0.00 179.45 179.07 1rw5 h ASP 79 N 0.00 0.67 0.43 0.86 3.32 -1.94 0.97 116.42 120.73 1rw5 h ASP 79 Ca 0.00 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1rw5 h ASP 79 Cb 0.13 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1rw5 h ASP 79 CO 0.00 0.31 -0.00 -0.26 -1.72 0.00 0.00 179.24 177.57 1rw5 h PHE 80 N 0.75 0.00 0.00 4.55 -1.00 -1.85 -0.03 116.94 119.35 1rw5 h PHE 80 Ca 0.48 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.88 1rw5 h PHE 80 Cb 0.61 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.11 1rw5 h PHE 80 CO -0.06 0.00 -2.22 1.28 -1.61 0.00 0.00 178.31 175.70 1rw5 n LEU 81 N -3.11 1.88 -0.13 1.54 4.32 0.16 -4.30 117.00 117.35 1rw5 n LEU 81 Ca -0.01 0.32 -0.00 0.00 -0.02 0.00 0.00 56.01 56.30 1rw5 n LEU 81 Cb 0.17 -0.77 0.26 0.00 -1.62 0.00 0.00 43.42 41.46 1rw5 n LEU 81 CO 0.23 0.41 1.10 0.28 -1.22 0.00 0.00 177.39 178.19 1rw5 h SER 82 N -0.95 0.74 -1.00 -1.43 0.02 0.66 -2.59 113.55 108.99 1rw5 h SER 82 Ca -0.56 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.35 1rw5 h SER 82 Cb 1.48 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.78 1rw5 h SER 82 CO -0.34 0.63 0.66 -0.07 -1.14 0.00 0.00 176.83 176.57 1rw5 h LEU 83 N 0.82 1.12 -0.11 5.07 3.38 -1.16 -2.07 115.31 122.35 1rw5 h LEU 83 Ca 0.20 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1rw5 h LEU 83 Cb 0.09 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1rw5 h LEU 83 CO -0.03 0.78 -0.08 0.40 0.09 0.00 0.00 178.44 179.60 1rw5 h ILE 84 N 1.30 0.75 -0.34 1.22 2.04 -1.65 0.22 117.51 121.07 1rw5 h ILE 84 Ca 0.39 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.23 1rw5 h ILE 84 Cb -0.06 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1rw5 h ILE 84 CO -0.11 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.78 1rw5 h VAL 85 N -0.09 1.16 -0.38 1.67 2.07 -1.53 -0.24 116.25 118.92 1rw5 h VAL 85 Ca 0.07 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1rw5 h VAL 85 Cb 0.20 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1rw5 h VAL 85 CO -0.17 0.17 0.14 0.28 0.02 0.00 0.00 177.57 178.02 1rw5 h SER 86 N 0.41 0.53 0.55 0.57 0.02 -1.06 0.69 113.55 115.26 1rw5 h SER 86 Ca 0.12 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1rw5 h SER 86 Cb 0.13 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.54 1rw5 h SER 86 CO -0.01 0.56 -0.27 0.40 -1.14 0.00 0.00 176.83 176.37 1rw5 h ILE 87 N 0.46 0.19 -0.63 3.27 2.04 -0.42 -2.14 117.51 120.28 1rw5 h ILE 87 Ca 0.12 -0.43 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1rw5 h ILE 87 Cb 0.21 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1rw5 h ILE 87 CO -0.01 0.03 0.11 0.25 0.00 0.00 0.00 178.15 178.53 1rw5 h LEU 88 N -1.11 1.00 -0.97 1.44 5.85 -1.10 -2.89 115.31 117.53 1rw5 h LEU 88 Ca -0.08 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.32 1rw5 h LEU 88 Cb 0.62 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1rw5 h LEU 88 CO 0.13 1.00 -0.00 -0.09 -0.34 0.00 0.00 178.44 179.13 1rw5 h ARG 89 N 0.95 0.74 -0.38 1.25 2.43 -0.95 -2.61 114.38 115.82 1rw5 h ARG 89 Ca 0.19 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1rw5 h ARG 89 Cb 0.42 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1rw5 h ARG 89 CO 0.01 0.76 0.26 1.03 -1.51 0.00 0.00 179.97 180.52 1rw5 h SER 90 N 0.70 0.30 0.84 -3.80 0.87 -1.17 -1.33 113.55 109.96 1rw5 h SER 90 Ca 0.14 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1rw5 h SER 90 Cb 0.44 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1rw5 h SER 90 CO 0.02 0.21 -0.22 0.79 -0.53 0.00 0.00 176.83 177.09 1rw5 n TRP 91 N -4.48 0.10 -0.32 2.24 7.02 -0.99 -3.96 117.44 117.05 1rw5 n TRP 91 Ca 0.04 0.03 -0.01 0.00 -1.02 0.00 0.00 57.50 56.54 1rw5 n TRP 91 Cb 0.19 -0.45 0.12 0.00 -2.42 0.00 0.00 31.31 28.75 1rw5 n TRP 91 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1rw5 h ASN 92 N 0.00 0.94 0.33 -0.99 -0.73 -1.17 -2.23 115.58 111.73 1rw5 h ASN 92 Ca 0.00 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1rw5 h ASN 92 Cb 0.53 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1rw5 h ASN 92 CO 0.00 0.64 -0.16 -0.08 -0.37 0.00 0.00 177.43 177.47 1rw5 h GLU 93 N 1.10 -0.43 -1.00 6.67 4.57 -1.73 -3.13 114.58 120.64 1rw5 h GLU 93 Ca 0.35 0.03 0.28 0.00 -1.18 0.00 0.00 59.36 58.84 1rw5 h GLU 93 Cb 0.02 0.10 -0.14 0.00 -0.16 0.00 0.00 28.75 28.57 1rw5 h GLU 93 CO -0.12 -0.15 0.57 -1.35 -1.18 0.00 0.00 179.01 176.77 1rw5 h PRO 94 N -1.03 0.44 -0.20 0.92 0.11 -1.73 0.37 132.00 130.89 1rw5 h PRO 94 Ca -0.05 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 1rw5 h PRO 94 Cb 0.47 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1rw5 h PRO 94 CO 0.07 0.29 -0.21 -0.07 -0.21 0.00 0.00 178.00 177.87 1rw5 h LEU 95 N 0.46 0.36 -0.39 2.35 3.38 -1.47 -2.48 115.31 117.51 1rw5 h LEU 95 Ca 0.68 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.61 1rw5 h LEU 95 Cb 1.41 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 1rw5 h LEU 95 CO -0.54 0.58 0.03 0.22 0.09 0.00 0.00 178.44 178.83 1rw5 h TYR 96 N 0.33 0.04 -0.15 1.13 3.20 -0.19 -1.25 116.97 120.08 1rw5 h TYR 96 Ca 0.05 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.78 1rw5 h TYR 96 Cb 0.57 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1rw5 h TYR 96 CO 0.01 -0.04 -0.61 0.45 -1.64 0.00 0.00 178.16 176.33 1rw5 h HIS 97 N 0.14 0.64 -0.80 -3.82 3.86 -1.50 -2.36 115.15 111.31 1rw5 h HIS 97 Ca 0.19 -0.25 0.11 0.00 -1.16 0.00 0.00 60.37 59.27 1rw5 h HIS 97 Cb 0.26 -0.11 -0.08 0.00 1.06 0.00 0.00 27.41 28.53 1rw5 h HIS 97 CO -0.24 0.98 0.43 -0.07 0.86 0.00 0.00 177.93 179.89 1rw5 h LEU 98 N 0.37 0.56 -0.34 2.43 4.07 -0.85 0.28 115.31 121.83 1rw5 h LEU 98 Ca -0.01 0.07 -0.14 0.00 0.08 0.00 0.00 57.88 57.88 1rw5 h LEU 98 Cb 1.16 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.86 1rw5 h LEU 98 CO 0.11 0.30 -0.33 0.58 -1.08 0.00 0.00 178.44 178.02 1rw5 h VAL 99 N 0.68 1.29 -0.47 1.22 2.07 -1.14 -2.08 116.25 117.81 1rw5 h VAL 99 Ca 0.41 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1rw5 h VAL 99 Cb 0.46 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1rw5 h VAL 99 CO -0.29 0.49 0.23 0.71 0.02 0.00 0.00 177.57 178.73 1rw5 h THR 100 N 0.61 1.18 -0.51 2.57 1.35 -0.53 -0.87 112.91 116.71 1rw5 h THR 100 Ca 0.06 -0.52 -0.12 0.00 -0.55 0.00 0.00 66.41 65.27 1rw5 h THR 100 Cb 0.91 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1rw5 h THR 100 CO 0.08 0.20 -0.17 -0.33 -0.25 0.00 0.00 175.52 175.06 1rw5 h GLU 101 N 0.62 1.01 -0.65 4.72 4.39 -0.52 -2.98 114.58 121.17 1rw5 h GLU 101 Ca 0.16 -0.41 -0.06 0.00 0.34 0.00 0.00 59.36 59.39 1rw5 h GLU 101 Cb 0.11 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1rw5 h GLU 101 CO -0.02 1.09 0.16 0.28 -1.16 0.00 0.00 179.01 179.36 1rw5 h VAL 102 N 0.88 1.25 -0.76 3.13 2.07 -1.13 -2.29 116.25 119.40 1rw5 h VAL 102 Ca 0.12 -0.92 0.13 0.00 0.82 0.00 0.00 66.70 66.85 1rw5 h VAL 102 Cb 0.75 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1rw5 h VAL 102 CO 0.06 0.35 0.50 0.03 0.02 0.00 0.00 177.57 178.53 1rw5 h ARG 103 N 0.98 0.51 -0.23 1.57 3.08 -1.01 0.21 114.38 119.50 1rw5 h ARG 103 Ca 0.21 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1rw5 h ARG 103 Cb 0.35 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1rw5 h ARG 103 CO 0.00 0.34 0.00 0.41 -1.07 0.00 0.00 179.97 179.65 1rw5 n GLY 104 N -1.49 0.55 3.53 0.04 0.00 -0.89 -4.81 105.19 102.12 1rw5 n GLY 104 Ca 0.14 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1rw5 n GLY 104 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rw5 s MET 105 N -1.71 3.37 0.16 1.61 0.00 0.74 -4.92 119.30 118.54 1rw5 s MET 105 Ca 0.32 -0.27 -0.13 0.00 0.00 0.00 0.00 55.69 55.61 1rw5 s MET 105 Cb 0.18 -3.92 0.05 0.00 0.00 0.00 0.00 34.83 31.13 1rw5 s MET 105 CO 0.26 -0.96 1.68 1.96 0.00 0.00 0.00 175.02 177.96 1rw5 h GLN 106 N 8.80 0.85 0.00 4.11 4.20 -1.87 -1.16 115.11 130.03 1rw5 h GLN 106 Ca -0.26 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.20 1rw5 h GLN 106 Cb 1.10 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1rw5 h GLN 106 CO 0.88 0.79 -0.31 1.49 -0.67 0.00 0.00 178.83 181.01 1rw5 h GLU 107 N 0.75 0.00 -2.14 1.46 4.81 -1.95 -3.31 114.58 114.19 1rw5 h GLU 107 Ca 0.17 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.82 1rw5 h GLU 107 Cb 0.30 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 29.28 1rw5 h GLU 107 CO -0.00 0.31 -0.85 0.00 -0.73 0.00 0.00 179.01 177.74 1rw5 n ALA 108 N -2.38 3.24 -0.07 2.92 0.00 -0.88 -4.91 120.51 118.43 1rw5 n ALA 108 Ca -0.01 -4.06 -0.07 0.00 0.00 0.00 0.00 53.44 49.29 1rw5 n ALA 108 Cb 0.39 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1rw5 n ALA 108 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rw5 h PRO 109 N 4.19 0.00 0.00 0.00 0.13 -1.33 -3.39 132.00 131.59 1rw5 h PRO 109 Ca 0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.19 1rw5 h PRO 109 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 1rw5 h PRO 109 CO 0.64 0.29 -1.45 -1.91 -0.23 0.00 0.00 178.00 175.34 1rw5 n GLU 110 N -4.65 1.62 0.00 0.86 2.13 -1.26 -4.16 120.64 115.19 1rw5 n GLU 110 Ca -0.09 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.70 1rw5 n GLU 110 Cb 0.26 -1.19 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rw5 n ALA 111 N -2.05 -0.31 0.12 4.31 0.00 -1.26 -0.23 120.51 121.08 1rw5 n ALA 111 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1rw5 n ALA 111 Cb 0.50 0.15 0.11 0.00 0.00 0.00 0.00 19.45 20.21 1rw5 n ALA 111 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1rw5 h ILE 112 N 0.00 1.49 -0.43 0.00 2.04 -1.86 -3.15 117.51 115.60 1rw5 h ILE 112 Ca 0.00 -2.37 -0.03 0.00 1.00 0.00 0.00 64.86 63.46 1rw5 h ILE 112 Cb 0.00 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 1rw5 h ILE 112 CO 0.00 0.68 0.14 0.25 0.00 0.00 0.00 178.15 179.21 1rw5 h LEU 113 N 0.02 0.58 -0.80 1.44 6.46 -1.70 -1.52 115.31 119.78 1rw5 h LEU 113 Ca -0.01 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.75 1rw5 h LEU 113 Cb 1.24 -0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 40.95 1rw5 h LEU 113 CO 0.09 0.55 0.47 0.28 -0.62 0.00 0.00 178.44 179.22 1rw5 h SER 114 N 0.62 0.71 0.78 1.25 0.02 -0.56 -0.09 113.55 116.27 1rw5 h SER 114 Ca 0.15 0.03 -0.25 0.00 -0.84 0.00 0.00 61.79 60.88 1rw5 h SER 114 Cb 0.19 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1rw5 h SER 114 CO -0.01 0.43 -1.15 0.11 -1.14 0.00 0.00 176.83 175.08 1rw5 h LYS 115 N 0.83 0.16 -0.56 3.45 1.57 -1.62 -3.15 116.57 117.25 1rw5 h LYS 115 Ca 0.37 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1rw5 h LYS 115 Cb 0.26 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1rw5 h LYS 115 CO -0.21 1.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.80 1rw5 h ALA 116 N 0.75 0.93 -0.25 3.86 0.00 -0.55 0.59 119.26 124.59 1rw5 h ALA 116 Ca -0.08 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1rw5 h ALA 116 Cb 1.89 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1rw5 h ALA 116 CO 0.17 0.64 -0.57 -0.24 0.00 0.00 0.00 179.25 179.25 1rw5 h VAL 117 N 0.90 1.29 0.00 0.00 3.04 -1.13 -2.85 116.25 117.49 1rw5 h VAL 117 Ca 0.16 -1.78 -0.14 0.00 -1.01 0.00 0.00 66.70 63.93 1rw5 h VAL 117 Cb 0.52 1.70 -0.02 0.00 -2.01 0.00 0.00 31.29 31.48 1rw5 h VAL 117 CO 0.03 0.57 -0.83 1.05 -1.01 0.00 0.00 177.57 177.37 1rw5 h GLU 118 N 0.60 0.00 -0.21 4.17 4.11 -1.48 -3.04 114.58 118.72 1rw5 h GLU 118 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 1rw5 h GLU 118 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1rw5 h GLU 118 CO 0.12 0.54 -0.51 0.97 0.07 0.00 0.00 179.01 180.20 1rw5 h ILE 119 N 0.00 1.31 -0.15 -1.06 2.10 0.17 0.11 117.51 119.98 1rw5 h ILE 119 Ca -0.05 -1.72 -0.10 0.00 1.08 0.00 0.00 64.86 64.07 1rw5 h ILE 119 Cb 1.52 1.83 -0.01 0.00 -1.09 0.00 0.00 36.82 39.07 1rw5 h ILE 119 CO 0.07 0.55 -0.34 -0.08 -1.08 0.00 0.00 178.15 177.27 1rw5 h GLU 120 N 0.44 0.31 -0.01 2.19 4.81 -1.61 -1.98 114.58 118.73 1rw5 h GLU 120 Ca -0.00 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 1rw5 h GLU 120 Cb 1.12 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.50 1rw5 h GLU 120 CO 0.11 0.61 -0.61 1.49 -0.73 0.00 0.00 179.01 179.89 1rw5 h GLU 121 N 0.27 0.43 -0.44 1.92 4.81 -1.40 -3.15 114.58 117.02 1rw5 h GLU 121 Ca 0.03 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1rw5 h GLU 121 Cb 0.73 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1rw5 h GLU 121 CO 0.06 1.11 0.15 0.37 -0.73 0.00 0.00 179.01 179.96 1rw5 h GLN 122 N -0.07 0.63 -0.43 1.92 5.75 -0.71 -2.08 115.11 120.12 1rw5 h GLN 122 Ca -0.07 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.29 1rw5 h GLN 122 Cb 1.31 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.73 1rw5 h GLN 122 CO 0.12 0.54 0.10 1.79 -2.65 0.00 0.00 178.83 178.73 1rw5 h THR 123 N 0.62 1.19 -0.09 2.39 1.35 -1.38 -2.10 112.91 114.90 1rw5 h THR 123 Ca 0.15 -0.69 -0.17 0.00 -0.55 0.00 0.00 66.41 65.15 1rw5 h THR 123 Cb 0.17 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.34 1rw5 h THR 123 CO -0.01 0.25 -0.67 0.11 -0.25 0.00 0.00 175.52 174.95 1rw5 h LYS 124 N 0.62 0.39 -0.37 4.72 1.57 -1.34 -3.01 116.57 119.14 1rw5 h LYS 124 Ca 0.14 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1rw5 h LYS 124 Cb 0.24 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1rw5 h LYS 124 CO -0.00 0.92 0.03 0.00 -0.57 0.00 0.00 179.45 179.82 1rw5 h ARG 125 N 0.27 0.64 -0.72 3.15 3.08 -1.13 -2.51 114.38 117.17 1rw5 h ARG 125 Ca -0.02 -0.19 0.08 0.00 0.07 0.00 0.00 59.98 59.92 1rw5 h ARG 125 Cb 1.22 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.16 1rw5 h ARG 125 CO 0.11 0.73 0.47 1.25 -1.07 0.00 0.00 179.97 181.47 1rw5 h LEU 126 N 0.47 0.62 -0.40 3.04 6.46 -1.37 -1.56 115.31 122.57 1rw5 h LEU 126 Ca 0.11 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1rw5 h LEU 126 Cb 0.42 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.21 1rw5 h LEU 126 CO 0.01 0.39 0.24 -0.07 -0.62 0.00 0.00 178.44 178.39 1rw5 h LEU 127 N 0.70 0.48 -0.45 2.25 3.38 -1.32 0.59 115.31 120.94 1rw5 h LEU 127 Ca 0.32 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 1rw5 h LEU 127 Cb 0.34 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1rw5 h LEU 127 CO -0.11 0.40 -0.08 -0.08 0.09 0.00 0.00 178.44 178.66 1rw5 h GLU 128 N 0.52 0.85 -0.28 1.13 4.57 -1.19 0.91 114.58 121.09 1rw5 h GLU 128 Ca 0.14 -0.31 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 1rw5 h GLU 128 Cb 0.01 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1rw5 h GLU 128 CO -0.03 0.94 0.04 0.78 -1.18 0.00 0.00 179.01 179.56 1rw5 h GLY 129 N 0.69 0.51 1.75 1.92 0.00 -1.00 -3.13 103.07 103.81 1rw5 h GLY 129 Ca 0.12 -0.35 -0.22 0.00 0.00 0.00 0.00 47.33 46.88 1rw5 h GLY 129 CO 0.04 0.32 -0.98 1.98 0.00 0.00 0.00 176.54 177.91 1rw5 h MET 130 N 0.29 0.21 -0.11 4.80 1.85 0.28 -3.22 114.93 119.03 1rw5 h MET 130 Ca 0.09 -0.26 0.03 0.00 -0.61 0.00 0.00 59.70 58.94 1rw5 h MET 130 Cb 0.35 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 1rw5 h MET 130 CO 0.01 1.03 0.11 0.93 -0.40 0.00 0.00 176.91 178.59 1rw5 h GLU 131 N 0.10 0.00 0.00 0.39 5.08 0.90 0.74 114.58 121.79 1rw5 h GLU 131 Ca -0.06 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1rw5 h GLU 131 Cb 1.64 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 1rw5 h GLU 131 CO 0.15 0.00 -0.89 1.37 -1.00 0.00 0.00 179.01 178.64 1rw5 h LEU 132 N 0.00 0.00 0.66 1.33 8.10 -1.55 -2.94 115.31 120.90 1rw5 h LEU 132 Ca 0.05 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.01 1rw5 h LEU 132 Cb 0.27 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1rw5 h LEU 132 CO -0.00 0.87 -0.38 0.40 -4.11 0.00 0.00 178.44 175.22 1rw5 h ILE 133 N 0.00 0.22 -0.79 0.15 5.03 -0.94 0.85 117.51 122.04 1rw5 h ILE 133 Ca -0.01 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.81 1rw5 h ILE 133 Cb 1.68 0.22 -0.05 0.00 -3.03 0.00 0.00 36.82 35.64 1rw5 h ILE 133 CO 0.11 0.00 0.52 1.62 -0.68 0.00 0.00 178.15 179.72 1rw5 h VAL 134 N -0.97 0.99 0.00 1.67 3.04 -1.63 0.89 116.25 120.25 1rw5 h VAL 134 Ca -0.08 -0.27 -0.04 0.00 -1.01 0.00 0.00 66.70 65.30 1rw5 h VAL 134 Cb 0.78 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 1rw5 h VAL 134 CO 0.10 0.14 -0.18 0.28 -1.01 0.00 0.00 177.57 176.90 1rw5 h SER 135 N 0.79 0.00 0.09 3.17 0.02 -1.13 -0.74 113.55 115.75 1rw5 h SER 135 Ca 0.35 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.93 1rw5 h SER 135 Cb 0.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1rw5 h SER 135 CO -0.13 0.18 -2.12 0.00 -1.14 0.00 0.00 176.83 173.62 1rw5 n GLN 136 N -3.39 0.72 -0.25 3.45 1.13 0.29 -3.59 117.38 115.74 1rw5 n GLN 136 Ca -0.00 0.24 -0.07 0.00 -1.94 0.00 0.00 57.00 55.22 1rw5 n GLN 136 Cb 0.38 -1.65 0.05 0.00 0.11 0.00 0.00 30.24 29.13 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1rw5 h VAL 137 N 0.02 1.26 -2.67 5.09 2.07 0.64 -3.41 116.25 119.25 1rw5 h VAL 137 Ca -0.47 -0.94 -0.26 0.00 0.82 0.00 0.00 66.70 65.85 1rw5 h VAL 137 Cb 1.98 0.53 -0.34 0.00 -1.52 0.00 0.00 31.29 31.93 1rw5 h VAL 137 CO 0.03 0.36 -0.58 -1.00 0.02 0.00 0.00 177.57 176.40 1rw5 s HIS 138 N -5.35 -0.36 0.39 1.57 3.76 -0.29 -5.03 115.29 109.99 1rw5 s HIS 138 Ca -0.12 0.59 0.17 0.00 -0.15 0.00 0.00 55.06 55.55 1rw5 s HIS 138 Cb 0.15 -0.20 1.06 0.00 1.11 0.00 0.00 32.58 34.69 1rw5 s HIS 138 CO 0.84 -0.48 1.79 -1.35 -0.85 0.00 0.00 174.74 174.69 1rw5 h PRO 139 N 8.30 0.43 -6.71 8.40 0.11 -1.76 -3.37 132.00 137.41 1rw5 h PRO 139 Ca -0.16 -0.03 -0.66 0.00 0.11 0.00 0.00 66.00 65.27 1rw5 h PRO 139 Cb 1.13 -0.10 -0.22 0.00 0.11 0.00 0.00 31.00 31.93 1rw5 h PRO 139 CO 0.21 0.28 -0.86 -1.21 -0.21 0.00 0.00 178.00 176.21 1rw5 s GLU 140 N -5.52 1.34 -0.12 1.05 2.02 -1.26 -4.89 118.70 111.32 1rw5 s GLU 140 Ca -0.09 -1.29 0.01 0.00 0.02 0.00 0.00 54.97 53.62 1rw5 s GLU 140 Cb 0.25 -1.77 -0.01 0.00 0.10 0.00 0.00 34.13 32.70 1rw5 s GLU 140 CO 0.79 0.42 -0.17 0.99 0.02 0.00 0.00 175.26 177.31 1rw5 s THR 141 N -1.08 2.62 0.32 3.63 2.01 -1.26 -4.99 115.64 116.89 1rw5 s THR 141 Ca 0.12 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1rw5 s THR 141 Cb -0.10 -2.07 0.27 0.00 0.01 0.00 0.00 72.50 70.61 1rw5 s THR 141 CO 0.05 0.54 1.97 0.50 -0.69 0.00 0.00 174.62 176.99 1rw5 h LYS 142 N 6.81 0.97 -6.03 4.92 3.64 -2.00 -3.41 116.57 121.47 1rw5 h LYS 142 Ca -0.25 -0.06 -0.65 0.00 -1.27 0.00 0.00 60.65 58.43 1rw5 h LYS 142 Cb 1.22 -0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.73 1rw5 h LYS 142 CO 0.53 0.64 -0.57 -2.00 -2.27 0.00 0.00 179.45 175.78 1rw5 s GLU 143 N -5.85 3.06 0.51 1.90 2.12 -1.26 -5.11 118.70 114.08 1rw5 s GLU 143 Ca -0.11 -0.52 -0.01 0.00 0.36 0.00 0.00 54.97 54.69 1rw5 s GLU 143 Cb 0.18 -2.85 0.01 0.00 0.26 0.00 0.00 34.13 31.73 1rw5 s GLU 143 CO 0.78 0.63 0.76 -0.80 -0.54 0.00 0.00 175.26 176.09 1rw5 s ASN 144 N -1.95 5.63 -1.04 -1.70 0.02 -1.26 -4.94 114.94 109.69 1rw5 s ASN 144 Ca 0.25 0.33 -0.25 0.00 -1.02 0.00 0.00 52.86 52.17 1rw5 s ASN 144 Cb -0.12 -1.42 -0.14 0.00 0.02 0.00 0.00 41.25 39.59 1rw5 s ASN 144 CO 0.17 -0.91 2.08 -1.83 0.02 0.00 0.00 177.10 176.63 1rw5 s GLU 145 N -4.72 1.87 -0.08 -0.60 1.03 -1.26 -4.90 118.70 110.04 1rw5 s GLU 145 Ca 0.52 -0.50 -0.00 0.00 0.03 0.00 0.00 54.97 55.02 1rw5 s GLU 145 Cb -0.10 -5.05 -0.03 0.00 -0.80 0.00 0.00 34.13 28.15 1rw5 s GLU 145 CO 0.40 -4.54 -0.05 0.42 -1.33 0.00 0.00 175.26 170.16 1rw5 s ILE 146 N 13.73 3.86 0.27 1.83 1.01 -1.26 -4.95 121.20 135.69 1rw5 s ILE 146 Ca 0.77 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1rw5 s ILE 146 Cb -0.05 -2.60 -0.06 0.00 0.01 0.00 0.00 42.46 39.76 1rw5 s ILE 146 CO 0.12 0.59 0.05 -0.72 0.00 0.00 0.00 174.94 174.99 1rw5 s TYR 147 N -0.72 1.70 0.90 3.97 -0.85 -1.26 -4.42 117.35 116.67 1rw5 s TYR 147 Ca 0.11 -1.03 -0.11 0.00 -0.52 0.00 0.00 57.07 55.53 1rw5 s TYR 147 Cb -0.11 -1.04 0.13 0.00 0.38 0.00 0.00 41.96 41.32 1rw5 s TYR 147 CO 0.02 -0.13 1.10 -2.14 -1.52 0.00 0.00 175.55 172.88 1rw5 s PRO 148 N -3.93 1.21 -0.27 -3.49 0.02 -1.26 -4.98 135.00 122.29 1rw5 s PRO 148 Ca 0.35 1.20 -0.16 0.00 0.02 0.00 0.00 61.00 62.40 1rw5 s PRO 148 Cb 0.08 -1.77 -0.03 0.00 0.02 0.00 0.00 34.50 32.79 1rw5 s PRO 148 CO 0.13 -2.38 0.44 0.08 -0.33 0.00 0.00 177.00 174.94 1rw5 s VAL 149 N -2.76 5.12 -1.19 3.83 1.01 -1.26 -4.97 120.40 120.18 1rw5 s VAL 149 Ca 0.65 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 63.07 1rw5 s VAL 149 Cb -0.20 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.33 1rw5 s VAL 149 CO 0.58 0.10 1.92 0.86 0.00 0.00 0.00 175.10 178.55 1rw5 s TRP 150 N 2.19 2.02 -1.90 5.22 -0.00 -1.26 -4.65 118.94 120.56 1rw5 s TRP 150 Ca 0.18 0.29 0.21 0.00 -0.00 0.00 0.00 56.10 56.77 1rw5 s TRP 150 Cb -0.16 -4.07 0.62 0.00 -0.00 0.00 0.00 33.47 29.87 1rw5 s TRP 150 CO 0.10 -1.27 1.52 -1.13 -0.00 0.00 0.00 176.95 176.17 1rw5 n SER 151 N 13.85 3.82 -2.90 5.86 3.41 -1.26 -4.95 113.62 131.45 1rw5 n SER 151 Ca 0.45 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 1rw5 n SER 151 Cb 0.47 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1rw5 n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rw5 n GLY 152 N 1.54 -1.21 3.13 5.00 0.00 -1.26 -4.71 105.19 107.68 1rw5 n GLY 152 Ca 0.23 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.62 1rw5 n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rw5 n LEU 153 N 0.00 -6.27 -0.34 0.99 7.99 -1.26 -4.80 117.00 113.30 1rw5 n LEU 153 Ca 0.00 -0.07 0.33 0.00 -0.01 0.00 0.00 56.01 56.26 1rw5 n LEU 153 Cb 0.00 -3.07 0.69 0.00 -0.11 0.00 0.00 43.42 40.93 1rw5 n LEU 153 CO 0.00 -1.14 1.30 -0.65 -1.51 0.00 0.00 177.39 175.39 1rw5 h PRO 154 N 0.72 0.10 -0.16 3.23 0.11 -2.00 -3.39 132.00 130.60 1rw5 h PRO 154 Ca -0.10 -0.01 0.26 0.00 0.11 0.00 0.00 66.00 66.27 1rw5 h PRO 154 Cb 1.06 -0.02 -0.20 0.00 0.11 0.00 0.00 31.00 31.95 1rw5 h PRO 154 CO 0.29 0.06 0.17 0.45 -0.21 0.00 0.00 178.00 178.76 1rw5 s SER 155 N -5.11 -0.23 0.45 -2.05 0.15 -1.26 -5.01 113.70 100.64 1rw5 s SER 155 Ca -0.06 0.10 0.12 0.00 0.70 0.00 0.00 55.95 56.81 1rw5 s SER 155 Cb 0.24 1.18 1.01 0.00 -1.71 0.00 0.00 66.02 66.74 1rw5 s SER 155 CO 0.81 -0.04 2.05 -0.07 1.20 0.00 0.00 173.24 177.18 1rw5 h LEU 156 N 7.72 0.17 -2.01 3.45 4.07 -1.97 0.11 115.31 126.85 1rw5 h LEU 156 Ca -0.11 -0.02 0.12 0.00 0.08 0.00 0.00 57.88 57.96 1rw5 h LEU 156 Cb 1.18 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.86 1rw5 h LEU 156 CO -0.17 0.21 0.31 1.56 -1.08 0.00 0.00 178.44 179.27 1rw5 h GLN 157 N 0.19 0.00 -6.03 1.13 4.20 -1.97 -3.40 115.11 109.23 1rw5 h GLN 157 Ca 0.05 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.07 1rw5 h GLN 157 Cb 0.12 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1rw5 h GLN 157 CO 0.00 0.00 1.32 -0.12 -0.67 0.00 0.00 178.83 179.36 1rw5 n MET 158 N -4.35 1.09 -0.78 1.46 1.56 0.40 -4.81 117.12 111.68 1rw5 n MET 158 Ca 0.07 0.33 0.08 0.00 -0.27 0.00 0.00 57.70 57.90 1rw5 n MET 158 Cb 0.51 -2.36 0.37 0.00 2.15 0.00 0.00 33.22 33.89 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rw5 n ALA 159 N 8.83 3.64 -2.40 -5.12 0.00 -1.26 -4.76 120.51 119.44 1rw5 n ALA 159 Ca 0.39 -1.97 -0.43 0.00 0.00 0.00 0.00 53.44 51.43 1rw5 n ALA 159 Cb 0.20 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 1rw5 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rw5 s ASP 160 N -1.02 6.88 0.25 0.00 2.15 -1.26 -4.89 116.67 118.78 1rw5 s ASP 160 Ca 0.52 1.64 -0.04 0.00 0.43 0.00 0.00 52.55 55.10 1rw5 s ASP 160 Cb 0.39 -2.54 0.34 0.00 -0.30 0.00 0.00 42.92 40.81 1rw5 s ASP 160 CO 0.15 -0.83 1.89 -0.08 -0.17 0.00 0.00 175.17 176.14 1rw5 h GLU 161 N 8.48 1.14 -0.15 4.34 4.81 -1.98 0.69 114.58 131.91 1rw5 h GLU 161 Ca -0.27 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 1rw5 h GLU 161 Cb 1.11 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1rw5 h GLU 161 CO 0.98 0.75 -0.06 0.93 -0.73 0.00 0.00 179.01 180.88 1rw5 h GLU 162 N 1.17 0.30 -0.11 1.92 5.08 -1.98 -2.42 114.58 118.55 1rw5 h GLU 162 Ca 0.39 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.53 1rw5 h GLU 162 Cb 0.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1rw5 h GLU 162 CO -0.14 0.62 -0.31 0.77 -1.00 0.00 0.00 179.01 178.94 1rw5 h SER 163 N -0.02 0.46 -0.90 1.42 0.02 -1.89 -3.18 113.55 109.46 1rw5 h SER 163 Ca 0.03 -0.60 0.12 0.00 -0.84 0.00 0.00 61.79 60.51 1rw5 h SER 163 Cb 0.52 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1rw5 h SER 163 CO 0.02 0.98 0.58 -0.09 -1.14 0.00 0.00 176.83 177.18 1rw5 h ARG 164 N -0.04 0.78 -0.74 3.45 9.65 0.33 0.02 114.38 127.83 1rw5 h ARG 164 Ca -0.01 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 58.90 1rw5 h ARG 164 Cb 0.93 -0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 29.27 1rw5 h ARG 164 CO 0.07 0.52 0.41 -0.07 2.80 0.00 0.00 179.97 183.69 1rw5 h LEU 165 N 0.80 0.59 -1.18 3.80 4.07 -1.41 0.33 115.31 122.31 1rw5 h LEU 165 Ca 0.44 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.47 1rw5 h LEU 165 Cb 0.57 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.20 1rw5 h LEU 165 CO -0.20 0.35 0.56 -1.28 -1.08 0.00 0.00 178.44 176.79 1rw5 h SER 166 N 0.72 0.92 -0.99 -0.43 0.87 -1.05 0.87 113.55 114.45 1rw5 h SER 166 Ca 0.35 -0.01 0.13 0.00 -1.23 0.00 0.00 61.79 61.03 1rw5 h SER 166 Cb 0.29 -0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 61.94 1rw5 h SER 166 CO -0.23 0.64 0.63 0.00 -0.53 0.00 0.00 176.83 177.34 1rw5 h ALA 167 N 1.50 1.58 0.00 6.23 0.00 0.11 -2.03 119.26 126.64 1rw5 h ALA 167 Ca 0.33 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 1rw5 h ALA 167 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1rw5 h ALA 167 CO -0.09 0.16 -2.03 0.66 0.00 0.00 0.00 179.25 177.95 1rw5 n TYR 168 N -4.63 0.00 -0.19 0.00 4.01 -0.59 -3.76 117.16 111.99 1rw5 n TYR 168 Ca 0.20 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1rw5 n TYR 168 Cb 0.40 -0.62 0.02 0.00 -0.31 0.00 0.00 39.34 38.84 1rw5 n TYR 168 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rw5 h TYR 169 N 0.00 0.77 -0.49 -0.72 3.20 0.95 0.83 116.97 121.51 1rw5 h TYR 169 Ca -0.19 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.57 1rw5 h TYR 169 Cb 1.36 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1rw5 h TYR 169 CO 0.00 0.57 -0.04 -0.97 -1.64 0.00 0.00 178.16 176.07 1rw5 h ASN 170 N 0.75 0.89 0.23 -2.11 -0.73 -1.57 -1.86 115.58 111.18 1rw5 h ASN 170 Ca 0.20 -0.33 -0.01 0.00 1.87 0.00 0.00 56.30 58.03 1rw5 h ASN 170 Cb 0.06 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.41 1rw5 h ASN 170 CO -0.03 1.01 -0.11 -0.07 -0.37 0.00 0.00 177.43 177.86 1rw5 h LEU 171 N 0.76 -0.26 -0.93 0.34 3.38 -1.52 -2.29 115.31 114.79 1rw5 h LEU 171 Ca 0.13 0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.24 1rw5 h LEU 171 Cb 0.58 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 1rw5 h LEU 171 CO 0.03 0.13 0.55 -0.07 0.09 0.00 0.00 178.44 179.17 1rw5 h LEU 172 N -0.93 0.77 0.07 1.67 3.38 0.55 0.85 115.31 121.68 1rw5 h LEU 172 Ca -0.03 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rw5 h LEU 172 Cb 0.23 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1rw5 h LEU 172 CO 0.05 0.39 -0.03 -0.74 0.09 0.00 0.00 178.44 178.20 1rw5 h HIS 173 N 0.85 -0.09 -0.29 1.13 2.76 -1.45 -1.76 115.15 116.30 1rw5 h HIS 173 Ca 0.47 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.59 1rw5 h HIS 173 Cb 0.53 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.50 1rw5 h HIS 173 CO -0.04 0.25 -0.06 0.00 -1.30 0.00 0.00 177.93 176.78 1rw5 h LEU 175 N 0.44 0.87 0.40 0.00 6.46 0.86 0.19 115.31 124.54 1rw5 h LEU 175 Ca 0.09 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1rw5 h LEU 175 Cb 0.39 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1rw5 h LEU 175 CO 0.02 0.66 -0.19 -0.09 -0.62 0.00 0.00 178.44 178.21 1rw5 h ARG 176 N 1.01 -0.52 -0.72 1.25 2.43 -0.63 0.29 114.38 117.49 1rw5 h ARG 176 Ca 0.27 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.57 1rw5 h ARG 176 Cb -0.07 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 1rw5 h ARG 176 CO -0.05 -0.35 0.36 -0.09 -1.51 0.00 0.00 179.97 178.33 1rw5 h ARG 177 N -0.63 0.58 -0.54 0.20 2.43 -1.45 -0.95 114.38 114.03 1rw5 h ARG 177 Ca -0.06 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 1rw5 h ARG 177 Cb 0.41 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1rw5 h ARG 177 CO 0.09 0.39 0.02 -0.44 -1.51 0.00 0.00 179.97 178.51 1rw5 h ASP 178 N 0.60 0.87 -0.10 -3.80 3.32 -0.62 -0.71 116.42 115.97 1rw5 h ASP 178 Ca 0.36 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1rw5 h ASP 178 Cb 0.39 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1rw5 h ASP 178 CO -0.28 0.93 -0.02 -1.28 -1.72 0.00 0.00 179.24 176.87 1rw5 h SER 179 N 0.84 0.30 0.10 6.45 0.87 0.86 -1.62 113.55 121.34 1rw5 h SER 179 Ca 0.16 -0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.44 1rw5 h SER 179 Cb 0.48 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.37 1rw5 h SER 179 CO 0.02 0.38 -0.92 -0.74 -0.53 0.00 0.00 176.83 175.04 1rw5 h HIS 180 N 0.32 0.87 -0.06 2.24 -0.00 -0.59 -2.40 115.15 115.53 1rw5 h HIS 180 Ca 0.07 -0.44 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1rw5 h HIS 180 Cb 0.26 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 1rw5 h HIS 180 CO 0.01 1.26 0.04 0.87 -0.00 0.00 0.00 177.93 180.11 1rw5 h LYS 181 N 0.37 0.07 -0.95 5.26 1.57 -0.41 0.93 116.57 123.41 1rw5 h LYS 181 Ca -0.09 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1rw5 h LYS 181 Cb 1.55 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.80 1rw5 h LYS 181 CO 0.17 0.05 0.63 0.82 -0.57 0.00 0.00 179.45 180.55 1rw5 h ILE 182 N 0.08 1.24 -0.51 1.86 2.04 -1.36 -1.51 117.51 119.34 1rw5 h ILE 182 Ca 0.02 -0.44 -0.11 0.00 1.00 0.00 0.00 64.86 65.33 1rw5 h ILE 182 Cb -0.00 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.91 1rw5 h ILE 182 CO -0.01 0.23 -0.13 -0.78 0.00 0.00 0.00 178.15 177.46 1rw5 h ASP 183 N 1.28 0.98 -0.83 1.72 1.82 -0.83 -3.08 116.42 117.48 1rw5 h ASP 183 Ca 0.35 -0.33 0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1rw5 h ASP 183 Cb -0.14 -0.27 -0.04 0.00 0.68 0.00 0.00 39.33 39.56 1rw5 h ASP 183 CO -0.08 1.10 0.55 -1.13 -1.61 0.00 0.00 179.24 178.07 1rw5 h ASN 184 N 0.86 0.94 -0.75 2.28 -1.24 0.19 -2.64 115.58 115.22 1rw5 h ASN 184 Ca 0.13 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.08 1rw5 h ASN 184 Cb 0.68 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 1rw5 h ASN 184 CO 0.05 0.67 0.31 1.88 -1.29 0.00 0.00 177.43 179.06 1rw5 h TYR 185 N 1.11 1.12 -0.83 0.67 0.05 -1.30 -2.18 116.97 115.60 1rw5 h TYR 185 Ca 0.31 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 59.03 1rw5 h TYR 185 Cb -0.11 -0.34 -0.04 0.00 1.01 0.00 0.00 36.73 37.25 1rw5 h TYR 185 CO -0.02 0.85 0.55 -0.07 -1.05 0.00 0.00 178.16 178.42 1rw5 h LEU 186 N 1.07 0.91 -0.46 3.88 3.38 -1.44 0.73 115.31 123.37 1rw5 h LEU 186 Ca 0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1rw5 h LEU 186 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1rw5 h LEU 186 CO -0.02 0.64 0.23 0.11 0.09 0.00 0.00 178.44 179.48 1rw5 h LYS 187 N 1.07 0.67 -0.08 1.13 1.57 -1.18 0.47 116.57 120.21 1rw5 h LYS 187 Ca 0.32 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1rw5 h LYS 187 Cb -0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1rw5 h LYS 187 CO -0.09 0.56 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.10 1rw5 h LEU 188 N 0.61 0.31 -1.96 2.94 3.38 -0.90 -2.98 115.31 116.70 1rw5 h LEU 188 Ca 0.16 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1rw5 h LEU 188 Cb 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1rw5 h LEU 188 CO -0.02 0.83 0.05 0.25 0.09 0.00 0.00 178.44 179.64 1rw5 h LEU 189 N -0.20 0.05 -0.55 1.67 5.85 0.59 -2.53 115.31 120.19 1rw5 h LEU 189 Ca -0.00 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.83 1rw5 h LEU 189 Cb 0.79 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.71 1rw5 h LEU 189 CO 0.04 0.04 -0.10 0.50 -0.34 0.00 0.00 178.44 178.58 1rw5 h LYS 190 N 0.06 0.03 0.00 1.25 3.11 0.11 0.83 116.57 121.95 1rw5 h LYS 190 Ca 0.03 -0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.83 1rw5 h LYS 190 Cb 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1rw5 h LYS 190 CO -0.00 0.02 -0.18 0.00 -2.81 0.00 0.00 179.45 176.47 1rw5 n ARG 192 N -4.18 0.68 0.18 0.00 0.63 0.23 -0.72 116.66 113.48 1rw5 n ARG 192 Ca -0.02 0.25 0.05 0.00 -0.92 0.00 0.00 57.85 57.21 1rw5 n ARG 192 Cb 0.25 -1.73 0.32 0.00 0.45 0.00 0.00 32.46 31.75 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1rw5 h ILE 193 N 0.03 0.90 0.00 5.15 2.10 0.64 -3.33 117.51 123.00 1rw5 h ILE 193 Ca -0.37 -1.57 0.00 0.00 1.08 0.00 0.00 64.86 64.00 1rw5 h ILE 193 Cb 2.03 1.96 0.00 0.00 -1.09 0.00 0.00 36.82 39.72 1rw5 h ILE 193 CO 0.07 0.38 0.00 -0.38 -1.08 0.00 0.00 178.15 177.14 1rw5 n ILE 194 N -3.53 0.11 -3.27 2.19 5.41 -0.88 -4.96 119.36 114.43 1rw5 n ILE 194 Ca -0.00 -0.28 -0.17 0.00 1.00 0.00 0.00 62.75 63.30 1rw5 n ILE 194 Cb 0.52 1.36 0.06 0.00 -0.71 0.00 0.00 39.64 40.88 1rw5 n ILE 194 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1rw5 n HIS 195 N -0.05 -2.06 -4.16 1.39 8.25 0.10 -5.02 115.22 113.67 1rw5 n HIS 195 Ca 0.00 0.75 -0.27 0.00 -0.26 0.00 0.00 57.72 57.94 1rw5 n HIS 195 Cb 0.19 -4.10 -0.07 0.00 1.12 0.00 0.00 29.99 27.13 1rw5 n HIS 195 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1rw5 s ASN 196 N -3.41 5.04 -0.57 0.41 3.84 -1.03 -5.00 114.94 114.23 1rw5 s ASN 196 Ca 0.35 -0.28 -0.02 0.00 0.21 0.00 0.00 52.86 53.12 1rw5 s ASN 196 Cb -0.15 -1.17 0.35 0.00 -0.55 0.00 0.00 41.25 39.72 1rw5 s ASN 196 CO 0.55 0.10 2.07 0.59 -2.79 0.00 0.00 177.10 177.62 1rw5 n ASN 197 N -0.08 7.26 -0.66 -4.21 3.02 -1.26 -4.00 115.26 115.33 1rw5 n ASN 197 Ca -0.09 -3.54 0.04 0.00 -0.03 0.00 0.00 54.58 50.95 1rw5 n ASN 197 Cb 0.54 -1.03 0.13 0.00 -0.61 0.00 0.00 39.78 38.82 1rw5 n ASN 197 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rw5 n ASN 198 N -0.40 1.85 0.00 6.41 5.15 -1.26 -5.09 115.26 121.92 1rw5 n ASN 198 Ca 0.51 -2.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.39 1rw5 n ASN 198 Cb 0.59 -0.30 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66