#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 4.15 0.14 1.47 0.04 -1.26 -4.92 135.00 134.61 1rw5 s PRO 2 Ca 0.00 2.52 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 1rw5 s PRO 2 Cb 0.00 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1rw5 s PRO 2 CO 0.00 -0.50 1.80 0.82 0.04 0.00 0.00 177.00 179.15 1rw5 h ILE 3 N 3.06 1.09 -2.75 0.56 2.04 -2.04 -3.37 117.51 116.12 1rw5 h ILE 3 Ca -0.50 -0.18 -0.60 0.00 1.00 0.00 0.00 64.86 64.59 1rw5 h ILE 3 Cb 1.23 0.61 -0.39 0.00 -0.74 0.00 0.00 36.82 37.53 1rw5 h ILE 3 CO 0.67 0.09 -0.81 0.00 0.00 0.00 0.00 178.15 178.10 1rw5 n PRO 5 N 3.65 1.51 0.00 0.00 -0.02 -1.26 -4.44 135.00 134.45 1rw5 n PRO 5 Ca 0.13 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1rw5 n PRO 5 Cb 0.37 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1rw5 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rw5 n GLY 6 N 2.07 4.20 3.03 -1.23 0.00 -1.26 -4.31 105.19 107.69 1rw5 n GLY 6 Ca 0.14 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.89 -0.20 -0.02 0.00 -1.26 -5.13 107.32 99.81 1rw5 s GLY 7 Ca 0.00 0.37 -0.10 0.00 0.00 0.00 0.00 44.72 44.99 1rw5 s GLY 7 CO 0.00 3.36 0.14 0.00 0.00 0.00 0.00 173.10 176.60 1rw5 s ALA 8 N 2.38 3.68 0.29 3.20 0.00 -1.26 -4.95 121.76 125.10 1rw5 s ALA 8 Ca 0.12 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1rw5 s ALA 8 Cb -0.10 -2.20 0.42 0.00 0.00 0.00 0.00 23.12 21.25 1rw5 s ALA 8 CO -0.21 0.13 1.95 0.00 0.00 0.00 0.00 175.76 177.63 1rw5 h ALA 9 N 6.73 1.40 0.07 0.00 0.00 -2.00 -2.63 119.26 122.83 1rw5 h ALA 9 Ca -0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1rw5 h ALA 9 Cb 1.15 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1rw5 h ALA 9 CO 0.75 0.54 -0.03 -0.09 0.00 0.00 0.00 179.25 180.42 1rw5 h ARG 10 N 1.15 -0.09 0.00 0.00 2.43 -2.05 -3.49 114.38 112.34 1rw5 h ARG 10 Ca 0.33 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 1rw5 h ARG 10 Cb -0.09 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1rw5 h ARG 10 CO -0.08 0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.85 1rw5 s GLN 12 N 0.00 2.31 0.03 0.00 -0.21 -1.26 -5.07 119.66 115.46 1rw5 s GLN 12 Ca 0.00 -0.92 0.06 0.00 0.02 0.00 0.00 55.36 54.52 1rw5 s GLN 12 Cb 0.00 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.59 1rw5 s GLN 12 CO 0.00 0.53 -0.18 0.14 -2.12 0.00 0.00 175.29 173.66 1rw5 s VAL 13 N -1.20 1.47 0.02 1.09 -7.23 -1.26 -5.07 120.40 108.22 1rw5 s VAL 13 Ca 0.22 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.06 1rw5 s VAL 13 Cb -0.11 -1.27 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 1rw5 s VAL 13 CO 0.14 0.22 0.97 -0.89 -0.31 0.00 0.00 175.10 175.22 1rw5 s THR 14 N -0.70 4.81 0.26 5.32 2.01 -1.26 -4.92 115.64 121.16 1rw5 s THR 14 Ca 0.06 2.04 -0.03 0.00 0.31 0.00 0.00 61.69 64.07 1rw5 s THR 14 Cb -0.08 -4.31 0.26 0.00 0.01 0.00 0.00 72.50 68.38 1rw5 s THR 14 CO 0.01 0.19 1.87 0.25 -0.69 0.00 0.00 174.62 176.26 1rw5 h LEU 15 N 6.56 1.00 -0.42 4.42 5.85 -1.99 -1.72 115.31 129.01 1rw5 h LEU 15 Ca -0.41 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1rw5 h LEU 15 Cb 1.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1rw5 h LEU 15 CO 0.74 0.63 0.24 -0.09 -0.34 0.00 0.00 178.44 179.62 1rw5 h ARG 16 N 1.13 0.59 0.64 1.25 2.43 -1.93 -0.38 114.38 118.11 1rw5 h ARG 16 Ca 0.43 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.50 1rw5 h ARG 16 Cb 0.19 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1rw5 h ARG 16 CO -0.18 0.47 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.94 1rw5 h ASP 17 N 0.55 -0.92 -0.67 -3.80 3.32 -1.72 0.24 116.42 113.42 1rw5 h ASP 17 Ca 0.15 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1rw5 h ASP 17 Cb 0.05 0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1rw5 h ASP 17 CO -0.02 -0.59 0.21 -0.07 -1.72 0.00 0.00 179.24 177.05 1rw5 h LEU 18 N -0.94 0.97 -0.50 1.55 3.38 -1.46 -1.13 115.31 117.17 1rw5 h LEU 18 Ca -0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1rw5 h LEU 18 Cb 0.76 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1rw5 h LEU 18 CO 0.09 0.92 0.33 0.15 0.09 0.00 0.00 178.44 180.02 1rw5 h PHE 19 N 0.97 0.63 -0.79 1.13 3.57 -0.92 0.42 116.94 121.95 1rw5 h PHE 19 Ca 0.22 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1rw5 h PHE 19 Cb 0.29 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1rw5 h PHE 19 CO 0.02 0.40 0.42 -0.44 -2.23 0.00 0.00 178.31 176.48 1rw5 h ASP 20 N 0.67 1.00 -0.24 0.41 3.32 -0.18 0.32 116.42 121.72 1rw5 h ASP 20 Ca 0.18 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 56.97 1rw5 h ASP 20 Cb -0.07 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.22 1rw5 h ASP 20 CO -0.04 0.82 -0.46 0.03 -1.72 0.00 0.00 179.24 177.86 1rw5 h ARG 21 N 1.11 0.80 -0.20 3.56 3.08 -0.44 -2.39 114.38 119.90 1rw5 h ARG 21 Ca 0.28 -0.46 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 1rw5 h ARG 21 Cb 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1rw5 h ARG 21 CO -0.04 1.09 -0.36 0.00 -1.07 0.00 0.00 179.97 179.59 1rw5 h ALA 22 N 0.83 1.00 -0.49 0.04 0.00 0.50 0.35 119.26 121.48 1rw5 h ALA 22 Ca 0.04 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1rw5 h ALA 22 Cb 1.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1rw5 h ALA 22 CO 0.10 0.61 0.01 0.28 0.00 0.00 0.00 179.25 180.25 1rw5 h VAL 23 N 0.37 1.26 0.09 0.00 2.07 -0.23 -2.55 116.25 117.26 1rw5 h VAL 23 Ca 0.04 -1.06 -0.27 0.00 0.82 0.00 0.00 66.70 66.24 1rw5 h VAL 23 Cb 0.81 0.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1rw5 h VAL 23 CO 0.07 0.37 -1.15 0.58 0.02 0.00 0.00 177.57 177.46 1rw5 h VAL 24 N 0.73 1.38 -0.76 2.57 2.07 -1.25 -3.25 116.25 117.74 1rw5 h VAL 24 Ca 0.14 -2.63 0.09 0.00 0.82 0.00 0.00 66.70 65.12 1rw5 h VAL 24 Cb 0.50 2.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.89 1rw5 h VAL 24 CO 0.02 0.78 0.50 0.25 0.02 0.00 0.00 177.57 179.15 1rw5 h LEU 25 N 0.20 0.65 -1.57 2.57 5.85 -0.20 -0.40 115.31 122.40 1rw5 h LEU 25 Ca -0.14 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1rw5 h LEU 25 Cb 1.82 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 1rw5 h LEU 25 CO 0.20 0.40 0.08 0.28 -0.34 0.00 0.00 178.44 179.06 1rw5 h SER 26 N 0.72 0.32 0.26 1.25 0.02 -1.49 -1.74 113.55 112.90 1rw5 h SER 26 Ca 0.34 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.14 1rw5 h SER 26 Cb 0.39 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1rw5 h SER 26 CO -0.12 0.32 -0.49 0.45 -1.14 0.00 0.00 176.83 175.84 1rw5 h HIS 27 N 0.36 0.33 -0.05 3.45 3.86 -1.19 -2.93 115.15 118.98 1rw5 h HIS 27 Ca 0.09 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1rw5 h HIS 27 Cb 0.11 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1rw5 h HIS 27 CO 0.00 0.72 0.03 -0.92 0.86 0.00 0.00 177.93 178.62 1rw5 h TYR 28 N 0.22 0.07 -0.51 2.45 5.03 -1.16 -1.83 116.97 121.24 1rw5 h TYR 28 Ca 0.01 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.37 1rw5 h TYR 28 Cb 0.95 -0.02 -0.03 0.00 1.55 0.00 0.00 36.73 39.18 1rw5 h TYR 28 CO 0.02 0.10 0.34 0.82 -1.32 0.00 0.00 178.16 178.12 1rw5 h ILE 29 N 0.03 1.00 -0.40 1.81 2.04 -1.47 -0.64 117.51 119.88 1rw5 h ILE 29 Ca 0.02 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1rw5 h ILE 29 Cb 0.04 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1rw5 h ILE 29 CO -0.00 0.09 0.21 -0.74 0.00 0.00 0.00 178.15 177.71 1rw5 h HIS 30 N 0.49 0.40 -0.60 1.37 2.76 -1.16 0.21 115.15 118.62 1rw5 h HIS 30 Ca 0.22 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.33 1rw5 h HIS 30 Cb 0.24 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1rw5 h HIS 30 CO -0.00 0.22 0.09 -0.91 -1.30 0.00 0.00 177.93 176.03 1rw5 h ASN 31 N 0.44 0.97 0.51 3.26 2.35 -0.75 0.74 115.58 123.10 1rw5 h ASN 31 Ca 0.16 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1rw5 h ASN 31 Cb 0.05 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.17 1rw5 h ASN 31 CO -0.10 0.98 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.35 1rw5 h LEU 32 N 0.91 -0.58 -1.23 1.61 3.38 -0.43 0.31 115.31 119.28 1rw5 h LEU 32 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1rw5 h LEU 32 Cb 0.43 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1rw5 h LEU 32 CO 0.01 -0.37 0.44 0.28 0.09 0.00 0.00 178.44 178.89 1rw5 h SER 33 N -0.76 0.85 0.51 -0.43 0.02 -0.56 0.82 113.55 114.00 1rw5 h SER 33 Ca -0.07 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1rw5 h SER 33 Cb 0.56 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1rw5 h SER 33 CO 0.12 0.65 -0.24 -1.28 -1.14 0.00 0.00 176.83 174.93 1rw5 h SER 34 N 0.98 -0.58 -0.21 3.07 0.87 -0.53 -1.71 113.55 115.44 1rw5 h SER 34 Ca 0.26 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 1rw5 h SER 34 Cb -0.05 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1rw5 h SER 34 CO -0.05 -0.20 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.34 1rw5 h GLU 35 N -1.03 0.64 -0.37 2.24 5.08 -0.29 0.63 114.58 121.48 1rw5 h GLU 35 Ca -0.07 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 57.93 1rw5 h GLU 35 Cb 0.60 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1rw5 h GLU 35 CO 0.11 1.02 0.15 1.98 -1.00 0.00 0.00 179.01 181.27 1rw5 h MET 36 N 0.33 0.30 -0.21 2.33 4.05 0.57 0.26 114.93 122.57 1rw5 h MET 36 Ca 0.01 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1rw5 h MET 36 Cb 0.98 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.71 1rw5 h MET 36 CO 0.09 0.20 -0.17 0.35 0.23 0.00 0.00 176.91 177.61 1rw5 h PHE 37 N 0.31 0.56 -0.76 1.39 3.57 -1.30 -2.70 116.94 118.01 1rw5 h PHE 37 Ca 0.16 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1rw5 h PHE 37 Cb 0.12 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1rw5 h PHE 37 CO -0.13 0.81 0.49 1.03 -2.23 0.00 0.00 178.31 178.28 1rw5 h SER 38 N 0.16 0.82 -0.64 0.41 0.87 -0.43 0.90 113.55 115.63 1rw5 h SER 38 Ca 0.04 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1rw5 h SER 38 Cb 0.70 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1rw5 h SER 38 CO 0.04 0.58 0.40 -0.33 -0.53 0.00 0.00 176.83 176.99 1rw5 h GLU 39 N 0.97 0.87 0.06 2.24 5.08 -0.46 0.79 114.58 124.13 1rw5 h GLU 39 Ca 0.30 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1rw5 h GLU 39 Cb -0.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1rw5 h GLU 39 CO -0.09 0.61 -0.03 0.35 -1.00 0.00 0.00 179.01 178.84 1rw5 h PHE 40 N 0.89 -0.08 -0.83 4.33 3.57 -0.76 -2.23 116.94 121.82 1rw5 h PHE 40 Ca 0.24 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.85 1rw5 h PHE 40 Cb -0.05 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.64 1rw5 h PHE 40 CO 0.00 0.50 0.46 0.22 -2.23 0.00 0.00 178.31 177.26 1rw5 h ASP 41 N -0.77 0.61 0.39 0.41 3.58 0.11 0.16 116.42 120.91 1rw5 h ASP 41 Ca -0.01 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1rw5 h ASP 41 Cb 0.61 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1rw5 h ASP 41 CO 0.01 0.32 -0.05 0.29 -2.88 0.00 0.00 179.24 176.93 1rw5 n LYS 42 N -4.80 0.65 -0.09 0.28 4.01 0.24 -0.72 118.16 117.74 1rw5 n LYS 42 Ca 0.15 -0.13 -0.16 0.00 -0.51 0.00 0.00 58.31 57.66 1rw5 n LYS 42 Cb 0.34 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.31 1rw5 n LYS 42 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1rw5 n ARG 43 N -1.06 0.45 -0.05 1.97 0.63 0.33 -4.20 116.66 114.73 1rw5 n ARG 43 Ca 0.16 0.19 -0.13 0.00 -0.92 0.00 0.00 57.85 57.15 1rw5 n ARG 43 Cb 0.24 -1.27 -0.14 0.00 0.45 0.00 0.00 32.46 31.74 1rw5 n ARG 43 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1rw5 n TYR 44 N -4.13 0.70 -1.18 -0.14 4.02 0.20 -4.28 117.16 112.34 1rw5 n TYR 44 Ca -0.29 0.21 -0.02 0.00 -0.01 0.00 0.00 57.90 57.80 1rw5 n TYR 44 Cb 0.63 -1.11 0.24 0.00 -0.02 0.00 0.00 39.34 39.08 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 -3.10 2.61 -1.53 -0.72 -2.24 -0.92 -4.86 114.28 103.52 1rw5 n THR 45 Ca -0.28 -2.13 -0.29 0.00 -2.27 0.00 0.00 64.05 59.09 1rw5 n THR 45 Cb 1.07 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.88 1rw5 n THR 45 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1rw5 n HIS 46 N -0.69 0.94 -3.55 4.78 -0.00 0.10 -1.46 115.22 115.34 1rw5 n HIS 46 Ca 0.33 0.12 -0.25 0.00 0.46 0.00 0.00 57.72 58.38 1rw5 n HIS 46 Cb 1.13 -2.23 0.05 0.00 -0.12 0.00 0.00 29.99 28.81 1rw5 n HIS 46 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1rw5 n GLY 47 N 6.25 -0.53 0.36 1.57 0.00 -1.26 -4.84 105.19 106.74 1rw5 n GLY 47 Ca 0.51 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.79 1rw5 n GLY 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1rw5 h ARG 48 N -2.15 0.94 0.00 1.61 9.65 -1.58 -3.46 114.38 119.39 1rw5 h ARG 48 Ca -0.56 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1rw5 h ARG 48 Cb 1.37 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1rw5 h ARG 48 CO 0.59 0.62 0.00 0.41 2.80 0.00 0.00 179.97 184.39 1rw5 n GLY 49 N -1.40 2.93 0.00 2.80 0.00 -1.26 -4.86 105.19 103.40 1rw5 n GLY 49 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.75 0.00 1.94 1.61 -1.74 -1.26 -4.41 117.46 111.85 1rw5 n PHE 50 Ca 0.00 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 57.01 1rw5 n PHE 50 Cb 0.00 -0.22 0.73 0.00 1.52 0.00 0.00 39.48 41.51 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 -1.79 0.00 1.81 1.97 -5.35 -1.26 -3.56 119.36 111.18 1rw5 n ILE 51 Ca -0.01 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.60 1rw5 n ILE 51 Cb 0.31 -0.41 0.76 0.00 -1.74 0.00 0.00 39.64 38.56 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 -0.90 0.00 -2.41 7.28 -2.24 -1.26 -4.83 114.28 109.92 1rw5 n THR 52 Ca 0.19 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.56 1rw5 n THR 52 Cb 0.08 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 1rw5 n THR 52 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rw5 s LYS 53 N -2.00 4.55 -0.96 -0.78 1.02 -1.23 -4.88 119.74 115.45 1rw5 s LYS 53 Ca 0.38 1.86 -0.25 0.00 0.02 0.00 0.00 55.97 57.99 1rw5 s LYS 53 Cb 0.18 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 1rw5 s LYS 53 CO 0.30 0.04 2.06 0.00 -0.92 0.00 0.00 175.35 176.83 1rw5 s ALA 54 N -0.62 1.37 -0.26 5.17 0.00 -1.26 -4.88 121.76 121.28 1rw5 s ALA 54 Ca 0.49 -1.51 -0.03 0.00 0.00 0.00 0.00 51.96 50.91 1rw5 s ALA 54 Cb -0.33 -4.60 0.02 0.00 0.00 0.00 0.00 23.12 18.21 1rw5 s ALA 54 CO 0.40 -5.36 -0.02 0.42 0.00 0.00 0.00 175.76 171.20 1rw5 s ILE 55 N 11.99 3.25 -0.39 0.00 -1.09 -1.26 -4.98 121.20 128.72 1rw5 s ILE 55 Ca 0.75 -0.87 0.11 0.00 -2.23 0.00 0.00 60.65 58.41 1rw5 s ILE 55 Cb -0.06 -2.64 0.34 0.00 -1.58 0.00 0.00 42.46 38.51 1rw5 s ILE 55 CO 0.06 0.19 0.78 0.59 -1.23 0.00 0.00 174.94 175.33 1rw5 n ASN 56 N 4.74 0.29 0.06 3.58 3.02 -1.26 -4.90 115.26 120.79 1rw5 n ASN 56 Ca -0.16 -3.10 -0.11 0.00 -0.03 0.00 0.00 54.58 51.17 1rw5 n ASN 56 Cb 0.48 -0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 1rw5 n ASN 56 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1rw5 h SER 57 N 3.05 -0.68 -5.69 6.41 0.87 -1.93 -3.48 113.55 112.10 1rw5 h SER 57 Ca 0.07 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1rw5 h SER 57 Cb 0.99 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.21 1rw5 h SER 57 CO 0.44 -0.30 -0.96 0.00 -0.53 0.00 0.00 176.83 175.48 1rw5 h HIS 59 N 3.67 0.83 0.00 0.00 3.86 -1.93 0.08 115.15 121.65 1rw5 h HIS 59 Ca -0.08 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 1rw5 h HIS 59 Cb 0.54 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1rw5 h HIS 59 CO 0.00 0.45 0.00 1.79 0.86 0.00 0.00 177.93 181.03 1rw5 h THR 60 N 0.83 0.00 -0.56 2.45 1.35 -1.92 -2.71 112.91 112.35 1rw5 h THR 60 Ca 0.32 -0.19 0.11 0.00 -0.55 0.00 0.00 66.41 66.11 1rw5 h THR 60 Cb 0.20 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 1rw5 h THR 60 CO -0.11 0.00 0.38 -1.28 -0.25 0.00 0.00 175.52 174.27 1rw5 h SER 61 N 0.00 0.24 0.33 5.36 0.87 -1.23 0.27 113.55 119.39 1rw5 h SER 61 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1rw5 h SER 61 Cb 0.24 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1rw5 h SER 61 CO 0.00 0.14 0.00 0.77 -0.53 0.00 0.00 176.83 177.21 1rw5 h SER 62 N 0.26 0.00 -4.08 6.23 4.64 -1.66 -3.44 113.55 115.52 1rw5 h SER 62 Ca 0.26 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.05 1rw5 h SER 62 Cb 0.68 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.89 1rw5 h SER 62 CO -0.06 0.00 0.51 -0.76 -0.87 0.00 0.00 176.83 175.65 1rw5 s LEU 63 N -6.03 3.74 -0.98 5.97 1.02 0.95 -4.82 118.68 118.52 1rw5 s LEU 63 Ca -0.03 2.49 -0.13 0.00 0.02 0.00 0.00 54.13 56.48 1rw5 s LEU 63 Cb 0.11 -4.49 -0.08 0.00 0.02 0.00 0.00 46.19 41.75 1rw5 s LEU 63 CO 0.44 -1.55 2.13 0.00 0.02 0.00 0.00 176.35 177.38 1rw5 n ALA 64 N -1.37 4.54 -2.36 4.21 0.00 -1.26 -4.90 120.51 119.38 1rw5 n ALA 64 Ca 0.12 -2.80 -0.27 0.00 0.00 0.00 0.00 53.44 50.49 1rw5 n ALA 64 Cb 0.48 -3.32 -0.01 0.00 0.00 0.00 0.00 19.45 16.60 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 3.86 4.95 0.14 0.00 -4.23 -1.26 -4.98 115.64 114.11 1rw5 s THR 65 Ca 0.49 0.09 -0.32 0.00 -1.18 0.00 0.00 61.69 60.77 1rw5 s THR 65 Cb 0.13 -3.85 -0.12 0.00 1.34 0.00 0.00 72.50 70.00 1rw5 s THR 65 CO 0.01 -0.74 1.77 -0.81 -0.54 0.00 0.00 174.62 174.32 1rw5 n PRO 66 N -2.01 2.67 -0.06 3.99 -0.04 -1.26 -4.89 135.00 133.40 1rw5 n PRO 66 Ca -0.01 0.97 -0.04 0.00 -0.04 0.00 0.00 63.50 64.38 1rw5 n PRO 66 Cb 0.55 -2.83 0.18 0.00 -0.04 0.00 0.00 33.50 31.36 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 7.68 0.67 -3.27 0.54 5.08 -1.94 -3.47 114.58 119.86 1rw5 h GLU 67 Ca -0.45 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 57.64 1rw5 h GLU 67 Cb 1.22 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1rw5 h GLU 67 CO 0.94 0.76 0.15 0.16 -1.00 0.00 0.00 179.01 180.02 1rw5 s ASP 68 N -6.71 0.14 0.34 1.42 1.47 -1.26 -5.01 116.67 107.05 1rw5 s ASP 68 Ca -0.08 -1.12 0.02 0.00 1.18 0.00 0.00 52.55 52.54 1rw5 s ASP 68 Cb 0.14 0.78 0.61 0.00 -0.34 0.00 0.00 42.92 44.11 1rw5 s ASP 68 CO 0.80 -1.52 2.00 0.11 0.68 0.00 0.00 175.17 177.24 1rw5 h LYS 69 N 2.04 0.87 -0.45 2.11 1.57 -1.99 -1.18 116.57 119.54 1rw5 h LYS 69 Ca -0.29 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1rw5 h LYS 69 Cb 1.25 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1rw5 h LYS 69 CO 0.37 0.58 0.19 0.93 -0.57 0.00 0.00 179.45 180.95 1rw5 h GLU 70 N 0.90 0.66 -0.32 3.15 5.08 -2.00 -2.18 114.58 119.88 1rw5 h GLU 70 Ca 0.26 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1rw5 h GLU 70 Cb -0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1rw5 h GLU 70 CO -0.06 0.59 -0.30 0.37 -1.00 0.00 0.00 179.01 178.61 1rw5 h GLN 71 N 0.58 0.67 -0.70 2.33 4.15 -1.84 -2.50 115.11 117.80 1rw5 h GLN 71 Ca 0.15 -0.29 0.06 0.00 0.77 0.00 0.00 58.65 59.34 1rw5 h GLN 71 Cb 0.17 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.78 1rw5 h GLN 71 CO -0.01 0.89 0.39 0.00 -1.93 0.00 0.00 178.83 178.16 1rw5 h ALA 72 N 1.10 0.94 -0.88 3.38 0.00 -0.86 0.43 119.26 123.37 1rw5 h ALA 72 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rw5 h ALA 72 Cb 0.80 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1rw5 h ALA 72 CO 0.07 0.07 0.49 0.37 0.00 0.00 0.00 179.25 180.25 1rw5 h GLN 73 N 0.72 1.23 -0.32 0.00 4.15 -1.16 -0.75 115.11 118.99 1rw5 h GLN 73 Ca 0.31 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 1rw5 h GLN 73 Cb 0.20 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1rw5 h GLN 73 CO -0.19 0.90 0.00 1.96 -1.93 0.00 0.00 178.83 179.57 1rw5 h GLN 74 N 1.24 0.49 0.00 1.69 4.20 -0.31 -3.31 115.11 119.11 1rw5 h GLN 74 Ca 0.31 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1rw5 h GLN 74 Cb 0.02 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1rw5 h GLN 74 CO -0.05 0.51 0.00 -1.33 -0.67 0.00 0.00 178.83 177.29 1rw5 n MET 75 N -4.30 0.00 -3.80 1.46 2.81 0.12 -4.86 117.12 108.55 1rw5 n MET 75 Ca 0.01 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.63 1rw5 n MET 75 Cb 0.23 -0.86 0.04 0.00 -0.71 0.00 0.00 33.22 31.92 1rw5 n MET 75 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1rw5 n ASN 76 N -0.42 -4.16 -3.94 7.83 5.15 -1.07 -4.97 115.26 113.68 1rw5 n ASN 76 Ca 0.00 -0.75 -0.18 0.00 -0.60 0.00 0.00 54.58 53.06 1rw5 n ASN 76 Cb 0.00 -4.14 -0.09 0.00 -0.53 0.00 0.00 39.78 35.01 1rw5 n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rw5 s GLN 77 N -6.39 1.56 0.63 1.20 -0.21 -1.26 -5.01 119.66 110.18 1rw5 s GLN 77 Ca 0.48 -1.88 0.36 0.00 0.02 0.00 0.00 55.36 54.34 1rw5 s GLN 77 Cb -0.24 0.01 1.96 0.00 1.00 0.00 0.00 33.01 35.74 1rw5 s GLN 77 CO 0.81 -0.47 2.10 -0.22 -2.12 0.00 0.00 175.29 175.39 1rw5 h LYS 78 N 2.26 0.00 -1.02 2.91 3.64 -2.02 -2.69 116.57 119.66 1rw5 h LYS 78 Ca -0.33 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.30 1rw5 h LYS 78 Cb 1.25 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 1rw5 h LYS 78 CO 0.50 0.00 0.64 -0.44 -2.27 0.00 0.00 179.45 177.88 1rw5 h ASP 79 N 0.00 0.54 0.04 4.20 3.32 -1.97 0.46 116.42 123.00 1rw5 h ASP 79 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1rw5 h ASP 79 Cb 0.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1rw5 h ASP 79 CO 0.00 0.12 -0.15 -0.26 -1.72 0.00 0.00 179.24 177.23 1rw5 h PHE 80 N 0.49 -0.39 -0.56 4.55 -1.00 -1.87 0.83 116.94 118.99 1rw5 h PHE 80 Ca 0.59 0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.39 1rw5 h PHE 80 Cb 1.34 0.17 -0.03 0.00 3.61 0.00 0.00 35.95 41.04 1rw5 h PHE 80 CO -0.00 -0.23 0.37 -0.07 -1.61 0.00 0.00 178.31 176.77 1rw5 h LEU 81 N -0.27 0.63 -0.64 1.54 3.38 -1.18 -1.92 115.31 116.86 1rw5 h LEU 81 Ca 0.04 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1rw5 h LEU 81 Cb 0.32 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1rw5 h LEU 81 CO -0.12 0.46 0.00 0.28 0.09 0.00 0.00 178.44 179.15 1rw5 h SER 82 N 0.75 1.05 -0.53 -0.43 0.02 -0.65 -2.86 113.55 110.90 1rw5 h SER 82 Ca 0.21 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1rw5 h SER 82 Cb -0.07 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.16 1rw5 h SER 82 CO -0.05 1.09 0.29 -0.07 -1.14 0.00 0.00 176.83 176.95 1rw5 h LEU 83 N 0.98 0.66 -0.22 5.07 3.38 0.11 -1.45 115.31 123.84 1rw5 h LEU 83 Ca 0.17 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1rw5 h LEU 83 Cb 0.56 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1rw5 h LEU 83 CO 0.03 0.55 0.11 0.40 0.09 0.00 0.00 178.44 179.63 1rw5 h ILE 84 N 0.71 1.01 -0.75 1.22 2.04 -1.25 -0.69 117.51 119.80 1rw5 h ILE 84 Ca 0.19 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.99 1rw5 h ILE 84 Cb 0.04 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1rw5 h ILE 84 CO -0.03 0.04 0.47 0.58 0.00 0.00 0.00 178.15 179.22 1rw5 h VAL 85 N 0.24 1.11 -0.51 1.67 2.07 -1.27 -1.19 116.25 118.36 1rw5 h VAL 85 Ca 0.09 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1rw5 h VAL 85 Cb 0.01 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1rw5 h VAL 85 CO -0.05 0.17 0.23 0.28 0.02 0.00 0.00 177.57 178.21 1rw5 h SER 86 N 0.92 0.69 0.29 0.57 0.02 -0.73 -1.73 113.55 113.59 1rw5 h SER 86 Ca 0.30 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1rw5 h SER 86 Cb 0.01 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1rw5 h SER 86 CO -0.11 0.65 -0.14 0.40 -1.14 0.00 0.00 176.83 176.49 1rw5 h ILE 87 N 0.69 0.75 -0.78 3.27 2.04 -0.63 -0.95 117.51 121.89 1rw5 h ILE 87 Ca 0.17 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.55 1rw5 h ILE 87 Cb 0.16 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1rw5 h ILE 87 CO -0.02 0.11 0.49 -0.07 0.00 0.00 0.00 178.15 178.66 1rw5 h LEU 88 N -0.67 0.80 -0.69 1.44 3.38 -1.23 -2.29 115.31 116.04 1rw5 h LEU 88 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1rw5 h LEU 88 Cb 0.47 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1rw5 h LEU 88 CO 0.06 0.54 -0.47 0.03 0.09 0.00 0.00 178.44 178.70 1rw5 h ARG 89 N 0.94 0.44 -0.79 1.13 3.08 -1.31 -2.97 114.38 114.90 1rw5 h ARG 89 Ca 0.32 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1rw5 h ARG 89 Cb 0.06 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 1rw5 h ARG 89 CO -0.13 0.82 0.52 1.03 -1.07 0.00 0.00 179.97 181.14 1rw5 h SER 90 N 0.35 0.84 0.82 7.04 0.87 -0.59 -1.52 113.55 121.36 1rw5 h SER 90 Ca 0.02 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1rw5 h SER 90 Cb 0.96 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1rw5 h SER 90 CO 0.08 0.58 -0.22 0.79 -0.53 0.00 0.00 176.83 177.53 1rw5 n TRP 91 N -4.45 0.06 -0.36 2.24 7.02 -1.10 -3.89 117.44 116.96 1rw5 n TRP 91 Ca 0.10 0.02 0.01 0.00 -1.02 0.00 0.00 57.50 56.61 1rw5 n TRP 91 Cb 0.12 -0.43 0.17 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 1.06 0.20 -0.99 -0.73 -1.12 -1.95 115.58 112.05 1rw5 h ASN 92 Ca 0.00 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1rw5 h ASN 92 Cb 0.52 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.88 1rw5 h ASN 92 CO 0.00 0.71 -0.09 -0.08 -0.37 0.00 0.00 177.43 177.60 1rw5 h GLU 93 N 1.22 -0.25 -1.03 6.67 4.81 -1.70 -3.13 114.58 121.16 1rw5 h GLU 93 Ca 0.40 0.02 0.26 0.00 -0.13 0.00 0.00 59.36 59.91 1rw5 h GLU 93 Cb 0.05 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.37 1rw5 h GLU 93 CO -0.13 -0.00 0.63 -1.35 -0.73 0.00 0.00 179.01 177.43 1rw5 h PRO 94 N -1.02 0.47 -0.35 0.92 0.11 -1.72 0.30 132.00 130.71 1rw5 h PRO 94 Ca -0.03 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.96 1rw5 h PRO 94 Cb 0.37 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1rw5 h PRO 94 CO 0.04 0.31 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.90 1rw5 h LEU 95 N 0.48 0.65 -0.13 2.35 3.38 -1.45 -2.31 115.31 118.28 1rw5 h LEU 95 Ca 0.63 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.42 1rw5 h LEU 95 Cb 1.39 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1rw5 h LEU 95 CO -0.40 0.84 -0.06 0.22 0.09 0.00 0.00 178.44 179.13 1rw5 h TYR 96 N 0.59 -0.14 -0.49 1.13 5.03 -0.35 -0.94 116.97 121.81 1rw5 h TYR 96 Ca 0.09 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1rw5 h TYR 96 Cb 0.63 0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 1rw5 h TYR 96 CO 0.03 -0.10 0.23 0.45 -1.32 0.00 0.00 178.16 177.45 1rw5 h HIS 97 N -0.04 0.71 -0.85 -3.82 -0.00 -1.35 -1.02 115.15 108.77 1rw5 h HIS 97 Ca 0.07 -0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.51 1rw5 h HIS 97 Cb 0.15 -0.22 -0.08 0.00 -0.00 0.00 0.00 27.41 27.27 1rw5 h HIS 97 CO -0.19 0.56 0.48 -0.07 -0.00 0.00 0.00 177.93 178.71 1rw5 h LEU 98 N 0.64 0.68 -0.32 2.43 3.38 -0.89 0.13 115.31 121.36 1rw5 h LEU 98 Ca 0.17 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 1rw5 h LEU 98 Cb 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1rw5 h LEU 98 CO -0.02 0.37 -0.25 0.58 0.09 0.00 0.00 178.44 179.21 1rw5 h VAL 99 N 0.78 1.29 0.11 1.22 2.07 -0.71 -0.43 116.25 120.58 1rw5 h VAL 99 Ca 0.42 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1rw5 h VAL 99 Cb 0.42 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1rw5 h VAL 99 CO -0.27 0.45 -0.05 0.71 0.02 0.00 0.00 177.57 178.43 1rw5 h THR 100 N 0.50 1.02 -0.60 2.57 1.35 -0.18 0.20 112.91 117.77 1rw5 h THR 100 Ca 0.06 -0.49 -0.09 0.00 -0.55 0.00 0.00 66.41 65.34 1rw5 h THR 100 Cb 0.81 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 68.54 1rw5 h THR 100 CO 0.07 0.12 0.01 -0.33 -0.25 0.00 0.00 175.52 175.14 1rw5 h GLU 101 N -0.37 1.05 -0.56 4.72 4.39 -0.84 -2.77 114.58 120.21 1rw5 h GLU 101 Ca -0.02 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.26 1rw5 h GLU 101 Cb 0.31 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1rw5 h GLU 101 CO 0.02 1.03 -0.04 0.28 -1.16 0.00 0.00 179.01 179.14 1rw5 h VAL 102 N 0.95 1.26 -1.00 3.13 2.07 -1.01 -1.41 116.25 120.25 1rw5 h VAL 102 Ca 0.17 -1.17 0.09 0.00 0.82 0.00 0.00 66.70 66.61 1rw5 h VAL 102 Cb 0.54 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1rw5 h VAL 102 CO 0.03 0.42 0.64 -0.09 0.02 0.00 0.00 177.57 178.58 1rw5 h ARG 103 N 0.91 1.05 -0.26 1.57 2.43 -0.33 -0.04 114.38 119.71 1rw5 h ARG 103 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1rw5 h ARG 103 Cb 0.58 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1rw5 h ARG 103 CO 0.03 0.69 0.00 0.41 -1.51 0.00 0.00 179.97 179.60 1rw5 n GLY 104 N -1.36 0.76 3.59 2.80 0.00 -1.02 -4.80 105.19 105.16 1rw5 n GLY 104 Ca 0.17 -0.51 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.67 3.72 0.23 1.61 1.75 -0.03 -4.90 119.30 120.01 1rw5 s MET 105 Ca 0.33 0.40 -0.08 0.00 -1.25 0.00 0.00 55.69 55.10 1rw5 s MET 105 Cb 0.19 -3.85 0.21 0.00 2.84 0.00 0.00 34.83 34.21 1rw5 s MET 105 CO 0.27 -1.04 1.87 1.96 -0.65 0.00 0.00 175.02 177.43 1rw5 h GLN 106 N 8.69 1.21 -0.07 4.11 4.20 -1.88 -0.03 115.11 131.34 1rw5 h GLN 106 Ca -0.24 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.27 1rw5 h GLN 106 Cb 1.08 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1rw5 h GLN 106 CO 0.99 0.86 -0.36 0.93 -0.67 0.00 0.00 178.83 180.57 1rw5 h GLU 107 N 1.22 0.15 -2.37 1.46 4.39 -1.94 -3.33 114.58 114.16 1rw5 h GLU 107 Ca 0.32 -0.06 -0.59 0.00 0.34 0.00 0.00 59.36 59.37 1rw5 h GLU 107 Cb -0.04 -0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 28.21 1rw5 h GLU 107 CO -0.06 0.49 -0.85 0.00 -1.16 0.00 0.00 179.01 177.44 1rw5 n ALA 108 N -2.47 3.11 -0.05 3.43 0.00 -0.56 -4.95 120.51 119.01 1rw5 n ALA 108 Ca -0.01 -3.84 -0.03 0.00 0.00 0.00 0.00 53.44 49.55 1rw5 n ALA 108 Cb 0.43 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 4.78 0.00 0.00 0.00 0.13 -1.17 -3.37 132.00 132.37 1rw5 h PRO 109 Ca 0.17 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.23 1rw5 h PRO 109 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1rw5 h PRO 109 CO 0.57 0.00 -1.43 0.39 -0.23 0.00 0.00 178.00 177.30 1rw5 n GLU 110 N -4.13 1.60 0.00 0.86 1.02 -1.26 -4.18 120.64 114.54 1rw5 n GLU 110 Ca -0.04 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1rw5 n GLU 110 Cb 0.16 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rw5 n ALA 111 N -2.03 -0.35 0.17 0.62 0.00 -1.26 -1.13 120.51 116.53 1rw5 n ALA 111 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1rw5 n ALA 111 Cb 0.48 0.11 0.29 0.00 0.00 0.00 0.00 19.45 20.33 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 1.03 -0.39 0.00 2.04 -1.86 -3.09 117.51 115.24 1rw5 h ILE 112 Ca 0.00 -1.68 -0.04 0.00 1.00 0.00 0.00 64.86 64.14 1rw5 h ILE 112 Cb 0.00 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1rw5 h ILE 112 CO 0.00 0.43 0.07 0.25 0.00 0.00 0.00 178.15 178.90 1rw5 h LEU 113 N 0.00 0.55 -0.76 1.44 6.46 -1.70 -1.59 115.31 119.71 1rw5 h LEU 113 Ca -0.00 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.72 1rw5 h LEU 113 Cb 0.95 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.68 1rw5 h LEU 113 CO 0.06 0.57 0.45 0.28 -0.62 0.00 0.00 178.44 179.18 1rw5 h SER 114 N 0.57 0.71 0.49 1.25 0.02 -1.03 0.13 113.55 115.69 1rw5 h SER 114 Ca 0.13 0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.86 1rw5 h SER 114 Cb 0.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1rw5 h SER 114 CO 0.00 0.46 -1.03 0.11 -1.14 0.00 0.00 176.83 175.23 1rw5 h LYS 115 N 0.84 0.32 -0.34 3.45 1.79 -1.64 -3.11 116.57 117.88 1rw5 h LYS 115 Ca 0.33 -0.40 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 1rw5 h LYS 115 Cb 0.15 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1rw5 h LYS 115 CO -0.16 1.11 -0.27 0.00 -1.08 0.00 0.00 179.45 179.05 1rw5 h ALA 116 N 0.74 0.88 -0.17 3.86 0.00 -0.63 0.22 119.26 124.15 1rw5 h ALA 116 Ca -0.09 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.28 1rw5 h ALA 116 Cb 1.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1rw5 h ALA 116 CO 0.17 0.63 -0.55 -0.24 0.00 0.00 0.00 179.25 179.25 1rw5 h VAL 117 N 0.61 1.33 0.00 0.00 3.04 -0.82 -2.97 116.25 117.43 1rw5 h VAL 117 Ca 0.08 -1.81 -0.20 0.00 -1.01 0.00 0.00 66.70 63.75 1rw5 h VAL 117 Cb 0.77 1.80 -0.03 0.00 -2.01 0.00 0.00 31.29 31.82 1rw5 h VAL 117 CO 0.06 0.56 -1.15 1.05 -1.01 0.00 0.00 177.57 177.08 1rw5 h GLU 118 N 0.39 0.00 -0.36 4.17 4.11 -1.45 -3.24 114.58 118.20 1rw5 h GLU 118 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.28 1rw5 h GLU 118 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1rw5 h GLU 118 CO 0.10 0.65 -0.39 0.97 0.07 0.00 0.00 179.01 180.41 1rw5 h ILE 119 N 0.00 1.28 -0.06 -1.06 2.10 -0.57 -2.09 117.51 117.10 1rw5 h ILE 119 Ca -0.11 -1.57 -0.11 0.00 1.08 0.00 0.00 64.86 64.16 1rw5 h ILE 119 Cb 1.72 1.41 -0.01 0.00 -1.09 0.00 0.00 36.82 38.86 1rw5 h ILE 119 CO 0.09 0.52 -0.44 -0.08 -1.08 0.00 0.00 178.15 177.16 1rw5 h GLU 120 N 0.71 0.15 -0.03 2.19 4.81 -1.64 -2.81 114.58 117.95 1rw5 h GLU 120 Ca 0.06 -0.07 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1rw5 h GLU 120 Cb 0.97 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.36 1rw5 h GLU 120 CO 0.09 0.57 -0.56 0.93 -0.73 0.00 0.00 179.01 179.31 1rw5 h GLU 121 N 0.12 0.44 -0.18 1.92 5.08 -1.55 -3.26 114.58 117.15 1rw5 h GLU 121 Ca 0.01 -0.43 -0.08 0.00 -1.00 0.00 0.00 59.36 57.86 1rw5 h GLU 121 Cb 0.84 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1rw5 h GLU 121 CO 0.06 1.08 -0.24 1.96 -1.00 0.00 0.00 179.01 180.87 1rw5 h GLN 122 N -0.04 0.33 -0.49 2.33 4.20 -1.39 -2.67 115.11 117.38 1rw5 h GLN 122 Ca -0.06 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1rw5 h GLN 122 Cb 1.25 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1rw5 h GLN 122 CO 0.11 0.55 0.29 1.79 -0.67 0.00 0.00 178.83 180.91 1rw5 h THR 123 N 0.30 1.14 -0.04 -0.54 1.35 -1.55 -1.64 112.91 111.93 1rw5 h THR 123 Ca 0.05 -0.31 -0.16 0.00 -0.55 0.00 0.00 66.41 65.43 1rw5 h THR 123 Cb 0.59 0.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 1rw5 h THR 123 CO 0.04 0.15 -0.70 0.11 -0.25 0.00 0.00 175.52 174.87 1rw5 h LYS 124 N 0.67 0.19 -0.36 4.72 1.57 -1.52 -3.15 116.57 118.69 1rw5 h LYS 124 Ca 0.18 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1rw5 h LYS 124 Cb -0.02 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1rw5 h LYS 124 CO -0.03 0.82 0.23 0.00 -0.57 0.00 0.00 179.45 179.89 1rw5 h ARG 125 N 0.13 0.45 -0.81 3.15 3.08 -1.17 -0.71 114.38 118.51 1rw5 h ARG 125 Ca -0.02 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.12 1rw5 h ARG 125 Cb 1.25 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.14 1rw5 h ARG 125 CO 0.11 0.30 0.53 -0.07 -1.07 0.00 0.00 179.97 179.76 1rw5 h LEU 126 N 0.46 0.62 -0.23 3.04 3.38 -1.46 -1.10 115.31 120.02 1rw5 h LEU 126 Ca 0.13 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1rw5 h LEU 126 Cb -0.04 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1rw5 h LEU 126 CO -0.04 0.35 -0.05 0.25 0.09 0.00 0.00 178.44 179.04 1rw5 h LEU 127 N 0.67 -0.20 -0.37 1.67 7.12 -1.10 0.35 115.31 123.46 1rw5 h LEU 127 Ca 0.38 0.07 -0.06 0.00 0.13 0.00 0.00 57.88 58.41 1rw5 h LEU 127 Cb 0.56 0.14 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 1rw5 h LEU 127 CO -0.15 -0.07 0.02 -0.08 -0.13 0.00 0.00 178.44 178.03 1rw5 h GLU 128 N 0.01 0.64 -0.73 1.25 4.81 -0.98 0.43 114.58 120.01 1rw5 h GLU 128 Ca 0.11 -0.20 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1rw5 h GLU 128 Cb 0.16 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1rw5 h GLU 128 CO -0.23 0.74 0.48 0.78 -0.73 0.00 0.00 179.01 180.05 1rw5 h GLY 129 N 0.46 1.00 0.93 1.92 0.00 -0.87 -1.67 103.07 104.84 1rw5 h GLY 129 Ca 0.11 -0.34 -0.21 0.00 0.00 0.00 0.00 47.33 46.89 1rw5 h GLY 129 CO 0.02 0.30 -0.83 -0.33 0.00 0.00 0.00 176.54 175.69 1rw5 h MET 130 N 0.87 0.49 -0.37 4.80 2.86 0.15 -2.30 114.93 121.43 1rw5 h MET 130 Ca 0.29 -0.58 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1rw5 h MET 130 Cb 0.07 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1rw5 h MET 130 CO -0.08 1.22 0.18 0.93 1.06 0.00 0.00 176.91 180.21 1rw5 h GLU 131 N 0.01 0.50 0.13 1.72 5.08 0.33 0.50 114.58 122.86 1rw5 h GLU 131 Ca -0.12 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 57.91 1rw5 h GLU 131 Cb 1.55 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.70 1rw5 h GLU 131 CO 0.16 0.39 -1.28 1.37 -1.00 0.00 0.00 179.01 178.65 1rw5 h LEU 132 N 0.51 0.44 -0.06 1.33 8.10 -1.38 -2.17 115.31 122.08 1rw5 h LEU 132 Ca 0.13 -0.48 -0.01 0.00 0.11 0.00 0.00 57.88 57.63 1rw5 h LEU 132 Cb 0.05 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 40.12 1rw5 h LEU 132 CO -0.02 1.38 -0.00 0.40 -4.11 0.00 0.00 178.44 176.09 1rw5 h ILE 133 N 0.08 1.25 -0.85 0.15 2.04 -0.75 0.63 117.51 120.06 1rw5 h ILE 133 Ca -0.15 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 1rw5 h ILE 133 Cb 1.99 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 39.69 1rw5 h ILE 133 CO 0.20 0.21 0.43 1.62 0.00 0.00 0.00 178.15 180.62 1rw5 h VAL 134 N -0.19 1.26 0.00 1.67 3.04 -0.12 0.39 116.25 122.30 1rw5 h VAL 134 Ca 0.02 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1rw5 h VAL 134 Cb 0.34 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 1rw5 h VAL 134 CO 0.00 0.30 0.00 0.28 -1.01 0.00 0.00 177.57 177.14 1rw5 h SER 135 N 1.20 0.00 0.06 3.17 0.02 -1.20 0.16 113.55 116.97 1rw5 h SER 135 Ca 0.29 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.87 1rw5 h SER 135 Cb 0.09 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 1rw5 h SER 135 CO -0.04 0.00 -2.15 0.00 -1.14 0.00 0.00 176.83 173.50 1rw5 n GLN 136 N -3.06 0.69 0.04 3.45 1.13 0.20 -3.44 117.38 116.39 1rw5 n GLN 136 Ca 0.00 0.25 -0.11 0.00 -1.94 0.00 0.00 57.00 55.20 1rw5 n GLN 136 Cb 0.27 -1.63 0.02 0.00 0.11 0.00 0.00 30.24 29.01 1rw5 n GLN 136 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 1rw5 h VAL 137 N -0.11 1.36 -2.72 5.09 -1.51 -0.24 -3.37 116.25 114.76 1rw5 h VAL 137 Ca -0.49 -2.10 -0.61 0.00 -1.23 0.00 0.00 66.70 62.27 1rw5 h VAL 137 Cb 1.90 2.08 -0.40 0.00 -2.13 0.00 0.00 31.29 32.74 1rw5 h VAL 137 CO -0.03 0.64 -0.76 1.41 -1.23 0.00 0.00 177.57 177.59 1rw5 n HIS 138 N -3.86 1.33 0.16 5.19 8.25 0.57 -4.94 115.22 121.92 1rw5 n HIS 138 Ca -0.05 -3.85 0.19 0.00 -0.26 0.00 0.00 57.72 53.75 1rw5 n HIS 138 Cb 0.71 -0.22 0.78 0.00 1.12 0.00 0.00 29.99 32.38 1rw5 n HIS 138 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1rw5 h PRO 139 N 5.44 0.00 -0.01 -0.41 0.13 -1.73 0.60 132.00 136.02 1rw5 h PRO 139 Ca 0.20 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.30 1rw5 h PRO 139 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1rw5 h PRO 139 CO 0.56 0.00 -0.16 0.93 -0.23 0.00 0.00 178.00 179.10 1rw5 h GLU 140 N 0.00 0.01 -6.11 0.86 4.39 -1.91 -3.40 114.58 108.42 1rw5 h GLU 140 Ca 0.14 -0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.26 1rw5 h GLU 140 Cb 0.86 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1rw5 h GLU 140 CO -0.00 0.18 1.39 0.99 -1.16 0.00 0.00 179.01 180.41 1rw5 s THR 141 N -4.68 3.18 -0.01 1.13 2.01 0.20 -4.87 115.64 112.60 1rw5 s THR 141 Ca -0.04 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 1rw5 s THR 141 Cb 0.16 -3.22 -0.01 0.00 0.01 0.00 0.00 72.50 69.44 1rw5 s THR 141 CO 0.70 -0.13 0.21 0.11 -0.69 0.00 0.00 174.62 174.82 1rw5 h LYS 142 N 13.85 -0.03 -1.77 4.92 1.57 -1.88 -3.46 116.57 129.77 1rw5 h LYS 142 Ca -0.39 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.06 1rw5 h LYS 142 Cb 1.21 0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.25 1rw5 h LYS 142 CO 0.98 -0.02 -0.67 -1.83 -0.57 0.00 0.00 179.45 177.34 1rw5 s GLU 143 N -1.52 0.75 -0.38 3.15 -1.05 -1.26 -5.05 118.70 113.33 1rw5 s GLU 143 Ca -0.01 -0.97 -0.12 0.00 -0.15 0.00 0.00 54.97 53.72 1rw5 s GLU 143 Cb 0.00 -0.63 0.02 0.00 -0.44 0.00 0.00 34.13 33.08 1rw5 s GLU 143 CO 0.02 -1.24 0.23 1.21 0.95 0.00 0.00 175.26 176.43 1rw5 s ASN 144 N 1.24 5.84 -0.37 0.83 2.47 -1.26 -4.93 114.94 118.76 1rw5 s ASN 144 Ca 0.20 -0.93 0.13 0.00 0.42 0.00 0.00 52.86 52.68 1rw5 s ASN 144 Cb -0.10 -2.07 0.40 0.00 -1.45 0.00 0.00 41.25 38.03 1rw5 s ASN 144 CO -0.05 -0.39 0.98 -1.84 -3.72 0.00 0.00 177.10 172.08 1rw5 n GLU 145 N 5.05 1.09 -3.42 0.43 0.28 -1.26 -4.92 120.64 117.88 1rw5 n GLU 145 Ca -0.12 -2.86 -0.38 0.00 -0.16 0.00 0.00 57.16 53.65 1rw5 n GLU 145 Cb 0.47 -1.13 -0.06 0.00 1.43 0.00 0.00 31.44 32.14 1rw5 n GLU 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rw5 s ILE 146 N -1.87 5.08 0.16 3.84 1.01 -1.26 -4.93 121.20 123.23 1rw5 s ILE 146 Ca 0.29 0.89 0.02 0.00 0.00 0.00 0.00 60.65 61.86 1rw5 s ILE 146 Cb 0.39 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1rw5 s ILE 146 CO -0.03 0.47 -0.03 -0.72 0.00 0.00 0.00 174.94 174.63 1rw5 s TYR 147 N -0.36 1.21 0.39 3.97 -0.85 -1.26 -3.85 117.35 116.60 1rw5 s TYR 147 Ca 0.24 -0.94 -0.06 0.00 -0.52 0.00 0.00 57.07 55.79 1rw5 s TYR 147 Cb -0.16 -0.68 0.10 0.00 0.38 0.00 0.00 41.96 41.60 1rw5 s TYR 147 CO 0.12 -0.13 0.24 -0.35 -1.52 0.00 0.00 175.55 173.92 1rw5 n PRO 148 N -0.22 -2.58 -1.75 -3.49 -0.04 -1.26 -5.01 135.00 120.65 1rw5 n PRO 148 Ca -0.08 -0.41 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 1rw5 n PRO 148 Cb 0.62 -0.50 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 1rw5 n PRO 148 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rw5 n VAL 149 N -3.66 0.00 -4.07 0.52 0.31 -1.26 -4.88 118.33 105.28 1rw5 n VAL 149 Ca 0.04 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.13 1rw5 n VAL 149 Cb 0.16 -0.25 -0.17 0.00 -0.91 0.00 0.00 33.84 32.67 1rw5 n VAL 149 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1rw5 s TRP 150 N -0.50 1.07 -0.29 3.52 -0.00 -1.26 -4.94 118.94 116.54 1rw5 s TRP 150 Ca 0.00 -0.41 0.16 0.00 -0.00 0.00 0.00 56.10 55.85 1rw5 s TRP 150 Cb 0.00 -0.93 0.48 0.00 -0.00 0.00 0.00 33.47 33.02 1rw5 s TRP 150 CO 0.00 -0.33 1.11 0.45 -0.00 0.00 0.00 176.95 178.18 1rw5 n SER 151 N 4.52 2.85 -4.35 5.86 2.88 -1.26 -5.07 113.62 119.04 1rw5 n SER 151 Ca -0.17 -2.78 -0.18 0.00 -1.33 0.00 0.00 58.87 54.41 1rw5 n SER 151 Cb 0.51 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 1rw5 n SER 151 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1rw5 s GLY 152 N -3.63 1.80 -1.14 0.46 0.00 -1.26 -4.87 107.32 98.68 1rw5 s GLY 152 Ca 0.36 -1.91 -0.11 0.00 0.00 0.00 0.00 44.72 43.06 1rw5 s GLY 152 CO -0.02 -1.66 0.83 1.04 0.00 0.00 0.00 173.10 173.30 1rw5 n LEU 153 N -0.52 -3.99 -0.30 0.66 4.32 -1.26 -4.87 117.00 111.05 1rw5 n LEU 153 Ca -0.01 -0.85 -0.01 0.00 -0.02 0.00 0.00 56.01 55.12 1rw5 n LEU 153 Cb 0.66 -2.77 0.12 0.00 -1.62 0.00 0.00 43.42 39.81 1rw5 n LEU 153 CO 0.39 0.32 1.19 1.55 -1.22 0.00 0.00 177.39 179.62 1rw5 h PRO 154 N -1.58 0.96 -4.07 3.23 0.13 -2.01 -3.40 132.00 125.26 1rw5 h PRO 154 Ca -0.63 -0.06 -0.42 0.00 -0.87 0.00 0.00 66.00 64.02 1rw5 h PRO 154 Cb 1.34 -0.22 -0.34 0.00 0.13 0.00 0.00 31.00 31.91 1rw5 h PRO 154 CO 0.48 0.64 -0.78 -1.12 -0.23 0.00 0.00 178.00 176.99 1rw5 s SER 155 N -5.81 1.06 0.00 1.44 0.01 -1.26 -5.02 113.70 104.13 1rw5 s SER 155 Ca -0.13 -0.15 0.25 0.00 1.31 0.00 0.00 55.95 57.24 1rw5 s SER 155 Cb 0.18 -0.49 0.64 0.00 0.21 0.00 0.00 66.02 66.55 1rw5 s SER 155 CO 0.79 -0.05 1.51 0.18 0.41 0.00 0.00 173.24 176.08 1rw5 n LEU 156 N 4.06 2.25 -0.02 2.44 4.77 -1.26 -3.97 117.00 125.26 1rw5 n LEU 156 Ca -0.24 -0.78 0.13 0.00 -0.03 0.00 0.00 56.01 55.09 1rw5 n LEU 156 Cb 0.51 -0.03 0.76 0.00 -2.33 0.00 0.00 43.42 42.33 1rw5 n LEU 156 CO 0.23 0.39 0.99 0.00 -1.33 0.00 0.00 177.39 177.67 1rw5 n GLN 157 N 0.75 1.03 -1.53 3.23 6.02 -1.26 -4.79 117.38 120.82 1rw5 n GLN 157 Ca 0.17 -0.04 -0.32 0.00 -0.01 0.00 0.00 57.00 56.80 1rw5 n GLN 157 Cb 0.47 -1.41 -0.09 0.00 1.02 0.00 0.00 30.24 30.23 1rw5 n GLN 157 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1rw5 n MET 158 N -0.86 0.59 0.23 -1.09 2.81 -1.25 -4.74 117.12 112.81 1rw5 n MET 158 Ca 0.19 -0.16 0.10 0.00 -1.81 0.00 0.00 57.70 56.03 1rw5 n MET 158 Cb 0.10 -2.77 0.49 0.00 -0.71 0.00 0.00 33.22 30.33 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rw5 h ALA 159 N 15.65 1.04 -2.21 3.04 0.00 -1.97 -3.40 119.26 131.40 1rw5 h ALA 159 Ca -0.12 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 54.01 1rw5 h ALA 159 Cb 1.22 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 19.01 1rw5 h ALA 159 CO 1.23 0.26 0.96 -0.25 0.00 0.00 0.00 179.25 181.45 1rw5 n ASP 160 N -3.40 3.37 -0.12 0.00 8.00 -1.26 -4.86 116.55 118.29 1rw5 n ASP 160 Ca -0.00 1.03 -0.11 0.00 0.71 0.00 0.00 54.79 56.42 1rw5 n ASP 160 Cb 0.41 -1.42 0.02 0.00 -0.02 0.00 0.00 41.12 40.11 1rw5 n ASP 160 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1rw5 h GLU 161 N 7.58 0.89 -0.32 -1.24 5.08 -1.98 0.69 114.58 125.28 1rw5 h GLU 161 Ca -0.46 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 57.40 1rw5 h GLU 161 Cb 1.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1rw5 h GLU 161 CO 0.92 1.07 -0.11 0.93 -1.00 0.00 0.00 179.01 180.82 1rw5 h GLU 162 N 0.75 0.63 0.04 2.33 5.08 -1.96 -0.79 114.58 120.66 1rw5 h GLU 162 Ca 0.08 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1rw5 h GLU 162 Cb 0.86 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1rw5 h GLU 162 CO 0.08 0.83 -0.02 0.77 -1.00 0.00 0.00 179.01 179.67 1rw5 h SER 163 N 0.40 -0.05 -0.90 1.42 0.02 -1.94 -3.14 113.55 109.37 1rw5 h SER 163 Ca 0.08 -0.55 0.05 0.00 -0.84 0.00 0.00 61.79 60.53 1rw5 h SER 163 Cb 0.61 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 1rw5 h SER 163 CO 0.04 0.54 0.59 -0.09 -1.14 0.00 0.00 176.83 176.77 1rw5 h ARG 164 N -0.66 1.05 -0.65 3.45 9.65 -0.91 -1.73 114.38 124.56 1rw5 h ARG 164 Ca -0.01 -0.06 0.08 0.00 -1.10 0.00 0.00 59.98 58.89 1rw5 h ARG 164 Cb 0.59 -0.24 -0.06 0.00 -1.39 0.00 0.00 29.97 28.87 1rw5 h ARG 164 CO 0.01 0.69 0.33 -0.07 2.80 0.00 0.00 179.97 183.73 1rw5 h LEU 165 N 1.08 0.44 -1.37 3.80 4.07 -1.16 0.21 115.31 122.37 1rw5 h LEU 165 Ca 0.37 0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.46 1rw5 h LEU 165 Cb 0.10 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 41.77 1rw5 h LEU 165 CO -0.12 0.27 0.49 0.77 -1.08 0.00 0.00 178.44 178.77 1rw5 h SER 166 N 0.58 0.66 -0.36 -0.43 4.64 -1.27 0.67 113.55 118.04 1rw5 h SER 166 Ca 0.31 0.01 0.08 0.00 -0.47 0.00 0.00 61.79 61.72 1rw5 h SER 166 Cb 0.28 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 1rw5 h SER 166 CO -0.23 0.41 -0.13 0.00 -0.87 0.00 0.00 176.83 176.00 1rw5 h ALA 167 N 1.60 0.17 0.00 5.18 0.00 -0.38 -1.39 119.26 124.45 1rw5 h ALA 167 Ca 0.34 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.30 1rw5 h ALA 167 Cb 0.35 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1rw5 h ALA 167 CO -0.12 -0.50 -1.34 0.66 0.00 0.00 0.00 179.25 177.95 1rw5 n TYR 168 N -5.33 0.83 -0.20 0.00 4.01 -0.77 -3.52 117.16 112.19 1rw5 n TYR 168 Ca 0.01 0.26 -0.07 0.00 -0.16 0.00 0.00 57.90 57.95 1rw5 n TYR 168 Cb 0.24 -0.96 0.03 0.00 -0.31 0.00 0.00 39.34 38.33 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 -0.44 -0.72 3.20 0.72 0.57 116.97 121.06 1rw5 h TYR 169 Ca -0.09 -0.01 -0.14 0.00 3.14 0.00 0.00 58.73 61.64 1rw5 h TYR 169 Cb 1.28 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1rw5 h TYR 169 CO 0.00 0.54 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.88 1rw5 h ASN 170 N 0.77 1.00 0.07 -2.11 2.35 -1.40 -2.67 115.58 113.58 1rw5 h ASN 170 Ca 0.20 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1rw5 h ASN 170 Cb 0.01 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.10 1rw5 h ASN 170 CO -0.04 1.20 -0.03 -0.07 -1.65 0.00 0.00 177.43 176.84 1rw5 h LEU 171 N 0.80 -0.08 -0.92 1.61 3.38 -1.50 -2.93 115.31 115.68 1rw5 h LEU 171 Ca 0.09 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.23 1rw5 h LEU 171 Cb 0.85 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.52 1rw5 h LEU 171 CO 0.07 0.24 0.51 -0.07 0.09 0.00 0.00 178.44 179.28 1rw5 h LEU 172 N -0.67 0.62 0.09 1.67 3.38 -0.00 0.85 115.31 121.25 1rw5 h LEU 172 Ca -0.01 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rw5 h LEU 172 Cb 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rw5 h LEU 172 CO 0.01 0.24 -0.04 -0.74 0.09 0.00 0.00 178.44 178.00 1rw5 h HIS 173 N 0.67 -0.11 0.00 1.13 2.76 -1.58 -2.44 115.15 115.58 1rw5 h HIS 173 Ca 0.51 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.63 1rw5 h HIS 173 Cb 0.77 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1rw5 h HIS 173 CO -0.06 0.21 -0.24 0.00 -1.30 0.00 0.00 177.93 176.55 1rw5 h LEU 175 N 0.00 1.08 0.60 0.00 6.46 0.97 0.11 115.31 124.53 1rw5 h LEU 175 Ca -0.00 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1rw5 h LEU 175 Cb 0.43 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1rw5 h LEU 175 CO 0.03 0.74 -0.29 -0.09 -0.62 0.00 0.00 178.44 178.21 1rw5 h ARG 176 N 1.25 -0.77 -0.73 1.25 2.43 -0.85 -1.33 114.38 115.62 1rw5 h ARG 176 Ca 0.39 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.72 1rw5 h ARG 176 Cb -0.00 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.65 1rw5 h ARG 176 CO -0.12 -0.49 0.36 -0.09 -1.51 0.00 0.00 179.97 178.12 1rw5 h ARG 177 N -1.17 0.57 -0.51 0.20 2.43 -1.38 -1.51 114.38 113.01 1rw5 h ARG 177 Ca -0.08 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 1rw5 h ARG 177 Cb 0.64 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1rw5 h ARG 177 CO 0.13 0.38 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.45 1rw5 h ASP 178 N 0.59 0.92 -0.10 -3.80 3.32 -1.01 -1.86 116.42 114.49 1rw5 h ASP 178 Ca 0.37 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1rw5 h ASP 178 Cb 0.43 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1rw5 h ASP 178 CO -0.30 1.02 0.02 0.28 -1.72 0.00 0.00 179.24 178.55 1rw5 h SER 179 N 0.84 0.21 -0.22 6.45 0.02 -0.25 -0.75 113.55 119.86 1rw5 h SER 179 Ca 0.14 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.90 1rw5 h SER 179 Cb 0.61 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1rw5 h SER 179 CO 0.04 0.25 -0.53 -0.74 -1.14 0.00 0.00 176.83 174.70 1rw5 h HIS 180 N 0.24 0.97 -0.26 3.45 -0.00 -0.85 -1.80 115.15 116.90 1rw5 h HIS 180 Ca 0.06 -0.37 0.01 0.00 -0.00 0.00 0.00 60.37 60.07 1rw5 h HIS 180 Cb 0.14 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1rw5 h HIS 180 CO 0.00 1.17 0.14 0.87 -0.00 0.00 0.00 177.93 180.11 1rw5 h LYS 181 N 0.49 0.28 -0.94 5.26 1.57 -0.46 0.85 116.57 123.63 1rw5 h LYS 181 Ca -0.00 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1rw5 h LYS 181 Cb 1.15 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1rw5 h LYS 181 CO 0.12 0.19 0.62 0.82 -0.57 0.00 0.00 179.45 180.62 1rw5 h ILE 182 N 0.29 1.22 -0.52 1.86 2.04 -1.15 -1.54 117.51 119.72 1rw5 h ILE 182 Ca 0.10 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 1rw5 h ILE 182 Cb 0.01 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 35.94 1rw5 h ILE 182 CO -0.06 0.23 -0.12 -0.78 0.00 0.00 0.00 178.15 177.41 1rw5 h ASP 183 N 1.25 1.00 -0.88 1.72 3.58 -0.37 -3.11 116.42 119.61 1rw5 h ASP 183 Ca 0.35 -0.33 0.01 0.00 0.42 0.00 0.00 57.03 57.48 1rw5 h ASP 183 Cb -0.12 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 40.62 1rw5 h ASP 183 CO -0.08 1.12 0.58 -1.13 -2.88 0.00 0.00 179.24 176.85 1rw5 h ASN 184 N 0.88 1.00 -0.55 2.28 -1.24 0.17 -2.84 115.58 115.28 1rw5 h ASN 184 Ca 0.13 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 1rw5 h ASN 184 Cb 0.68 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.46 1rw5 h ASN 184 CO 0.05 0.72 0.25 1.88 -1.29 0.00 0.00 177.43 179.04 1rw5 h TYR 185 N 1.18 0.80 -0.81 0.67 0.05 -1.33 -1.95 116.97 115.57 1rw5 h TYR 185 Ca 0.33 -0.04 0.03 0.00 0.05 0.00 0.00 58.73 59.10 1rw5 h TYR 185 Cb -0.11 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.34 1rw5 h TYR 185 CO -0.01 0.62 0.53 -0.07 -1.05 0.00 0.00 178.16 178.19 1rw5 h LEU 186 N 0.74 0.87 -0.17 3.88 -0.00 -1.52 0.22 115.31 119.33 1rw5 h LEU 186 Ca 0.19 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.04 1rw5 h LEU 186 Cb 0.13 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.58 1rw5 h LEU 186 CO -0.02 0.60 0.05 0.50 -0.00 0.00 0.00 178.44 179.58 1rw5 h LYS 187 N 1.01 0.26 -0.22 1.13 3.64 -1.22 -0.97 116.57 120.21 1rw5 h LYS 187 Ca 0.32 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 1rw5 h LYS 187 Cb 0.01 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1rw5 h LYS 187 CO -0.09 0.37 0.05 -0.07 -2.27 0.00 0.00 179.45 177.44 1rw5 h LEU 188 N 0.10 0.34 -1.96 5.20 3.38 -0.66 -2.45 115.31 119.25 1rw5 h LEU 188 Ca 0.05 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1rw5 h LEU 188 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rw5 h LEU 188 CO -0.00 0.49 0.21 0.25 0.09 0.00 0.00 178.44 179.47 1rw5 h LEU 189 N 0.17 0.04 -0.82 1.67 5.85 -0.47 -1.25 115.31 120.50 1rw5 h LEU 189 Ca 0.07 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.90 1rw5 h LEU 189 Cb 0.29 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.23 1rw5 h LEU 189 CO 0.00 0.02 0.45 0.50 -0.34 0.00 0.00 178.44 179.07 1rw5 h LYS 190 N 0.04 0.69 -0.99 1.25 3.64 -0.67 0.11 116.57 120.65 1rw5 h LYS 190 Ca 0.14 -0.04 0.31 0.00 -1.27 0.00 0.00 60.65 59.79 1rw5 h LYS 190 Cb 0.49 -0.16 -0.15 0.00 -0.41 0.00 0.00 32.23 32.00 1rw5 h LYS 190 CO -0.01 0.46 0.54 0.00 -2.27 0.00 0.00 179.45 178.16 1rw5 n ARG 192 N -5.07 1.43 -0.08 0.00 0.63 -0.72 -3.07 116.66 109.78 1rw5 n ARG 192 Ca 0.31 -1.44 -0.22 0.00 -0.92 0.00 0.00 57.85 55.57 1rw5 n ARG 192 Cb 0.95 -1.19 -0.12 0.00 0.45 0.00 0.00 32.46 32.54 1rw5 n ARG 192 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1rw5 n ILE 193 N 0.43 1.59 0.02 5.15 2.08 0.32 -4.88 119.36 124.07 1rw5 n ILE 193 Ca 0.07 -0.22 0.00 0.00 0.56 0.00 0.00 62.75 63.16 1rw5 n ILE 193 Cb 0.30 -1.94 0.00 0.00 -0.75 0.00 0.00 39.64 37.25 1rw5 n ILE 193 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1rw5 n ILE 194 N -4.17 0.23 -5.24 1.39 5.41 -0.88 -4.96 119.36 111.14 1rw5 n ILE 194 Ca -0.35 0.07 -0.31 0.00 1.00 0.00 0.00 62.75 63.17 1rw5 n ILE 194 Cb 0.79 -1.25 -0.17 0.00 -0.71 0.00 0.00 39.64 38.31 1rw5 n ILE 194 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1rw5 s HIS 195 N -2.00 2.43 0.36 1.39 3.76 -1.20 -5.01 115.29 115.02 1rw5 s HIS 195 Ca 0.00 -0.78 0.05 0.00 -0.15 0.00 0.00 55.06 54.18 1rw5 s HIS 195 Cb 0.00 -1.60 0.69 0.00 1.11 0.00 0.00 32.58 32.78 1rw5 s HIS 195 CO 0.00 -0.26 1.96 -0.91 -0.85 0.00 0.00 174.74 174.68 1rw5 h ASN 196 N 6.21 0.54 -3.34 1.40 2.35 -1.82 -3.35 115.58 117.55 1rw5 h ASN 196 Ca -0.29 -0.05 -0.70 0.00 -0.55 0.00 0.00 56.30 54.71 1rw5 h ASN 196 Cb 1.19 -0.14 -0.19 0.00 0.05 0.00 0.00 38.32 39.23 1rw5 h ASN 196 CO 0.47 0.49 -0.08 0.21 -1.65 0.00 0.00 177.43 176.87 1rw5 s ASN 197 N -6.67 6.21 0.00 5.81 2.47 -1.26 -4.79 114.94 116.70 1rw5 s ASN 197 Ca -0.08 -0.92 0.00 0.00 0.42 0.00 0.00 52.86 52.28 1rw5 s ASN 197 Cb 0.16 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1rw5 s ASN 197 CO 0.75 -0.77 0.00 0.59 -3.72 0.00 0.00 177.10 173.96 1rw5 n ASN 198 N 5.85 0.00 0.00 -4.21 3.02 -1.26 -4.97 115.26 113.69 1rw5 n ASN 198 Ca -0.08 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1rw5 n ASN 198 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64