#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw5 n PRO 2 N 0.00 2.08 -0.04 1.96 -0.04 -1.26 -4.89 135.00 132.80 1rw5 n PRO 2 Ca 0.00 0.74 0.03 0.00 -0.04 0.00 0.00 63.50 64.23 1rw5 n PRO 2 Cb 0.00 -2.58 0.37 0.00 -0.04 0.00 0.00 33.50 31.25 1rw5 n PRO 2 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1rw5 h ILE 3 N 2.06 1.14 -3.17 0.52 2.04 -2.03 -3.30 117.51 114.77 1rw5 h ILE 3 Ca -0.50 -0.31 -0.63 0.00 1.00 0.00 0.00 64.86 64.42 1rw5 h ILE 3 Cb 1.28 0.49 -0.41 0.00 -0.74 0.00 0.00 36.82 37.44 1rw5 h ILE 3 CO 0.60 0.14 -0.61 0.00 0.00 0.00 0.00 178.15 178.28 1rw5 s PRO 5 N -0.90 4.28 6.00 0.00 0.04 -1.24 -4.72 135.00 138.46 1rw5 s PRO 5 Ca 0.22 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1rw5 s PRO 5 Cb -0.13 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1rw5 s PRO 5 CO -0.10 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1rw5 n GLY 6 N 3.08 3.55 2.76 0.56 0.00 -1.26 -4.21 105.19 109.67 1rw5 n GLY 6 Ca 0.10 0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 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 0.76 -0.17 -0.02 0.00 -1.26 -5.12 107.32 101.51 1rw5 s GLY 7 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 44.72 43.88 1rw5 s GLY 7 CO 0.00 1.36 0.16 0.00 0.00 0.00 0.00 173.10 174.61 1rw5 s ALA 8 N 1.81 3.72 0.42 3.20 0.00 -1.26 -4.96 121.76 124.70 1rw5 s ALA 8 Ca -0.01 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.40 1rw5 s ALA 8 Cb -0.17 -2.15 0.93 0.00 0.00 0.00 0.00 23.12 21.73 1rw5 s ALA 8 CO -0.08 0.27 2.05 0.00 0.00 0.00 0.00 175.76 178.00 1rw5 h ALA 9 N 6.23 1.80 -0.77 0.00 0.00 -1.99 0.55 119.26 125.08 1rw5 h ALA 9 Ca -0.45 -0.02 -0.40 0.00 0.00 0.00 0.00 54.91 54.04 1rw5 h ALA 9 Cb 1.17 -0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.59 1rw5 h ALA 9 CO 0.71 0.15 0.39 2.89 0.00 0.00 0.00 179.25 183.39 1rw5 n ARG 10 N -4.48 2.11 0.13 0.00 1.85 -1.26 -4.73 116.66 110.29 1rw5 n ARG 10 Ca 0.04 -3.09 -0.17 0.00 -1.00 0.00 0.00 57.85 53.63 1rw5 n ARG 10 Cb 0.14 -2.05 -0.10 0.00 -1.05 0.00 0.00 32.46 29.40 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 -5.78 1.01 -0.06 0.00 -2.07 -1.26 -5.00 119.66 106.50 1rw5 s GLN 12 Ca -0.17 -1.27 0.05 0.00 -1.82 0.00 0.00 55.36 52.15 1rw5 s GLN 12 Cb 0.06 -0.82 -0.00 0.00 -1.09 0.00 0.00 33.01 31.16 1rw5 s GLN 12 CO 0.61 0.15 -0.20 0.08 -1.32 0.00 0.00 175.29 174.60 1rw5 s VAL 13 N -2.38 1.68 0.45 3.63 1.01 -1.26 -5.10 120.40 118.42 1rw5 s VAL 13 Ca 0.10 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1rw5 s VAL 13 Cb -0.03 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.83 1rw5 s VAL 13 CO 0.02 0.47 1.35 0.28 0.00 0.00 0.00 175.10 177.22 1rw5 s THR 14 N 0.07 2.37 0.36 3.92 -1.32 -1.26 -4.88 115.64 114.90 1rw5 s THR 14 Ca -0.07 0.31 0.05 0.00 -1.21 0.00 0.00 61.69 60.78 1rw5 s THR 14 Cb -0.13 -3.18 0.29 0.00 -1.51 0.00 0.00 72.50 67.97 1rw5 s THR 14 CO 0.04 0.03 1.97 0.25 -2.21 0.00 0.00 174.62 174.70 1rw5 h LEU 15 N 2.28 0.67 -0.05 9.08 5.85 -1.99 -3.01 115.31 128.14 1rw5 h LEU 15 Ca -0.50 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1rw5 h LEU 15 Cb 1.26 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 1rw5 h LEU 15 CO 0.61 0.44 -0.05 0.08 -0.34 0.00 0.00 178.44 179.18 1rw5 h ARG 16 N 0.76 0.13 0.64 1.25 0.11 -1.92 -1.88 114.38 113.47 1rw5 h ARG 16 Ca 0.29 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 60.28 1rw5 h ARG 16 Cb 0.19 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.28 1rw5 h ARG 16 CO -0.09 0.56 -0.31 -0.44 0.10 0.00 0.00 179.97 179.79 1rw5 h ASP 17 N -0.31 -0.73 -0.56 0.08 3.32 -1.91 0.16 116.42 116.47 1rw5 h ASP 17 Ca 0.01 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1rw5 h ASP 17 Cb 0.54 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 1rw5 h ASP 17 CO 0.01 -0.51 0.18 0.25 -1.72 0.00 0.00 179.24 177.45 1rw5 h LEU 18 N -0.89 0.85 -0.45 1.55 6.46 -1.67 -1.41 115.31 119.76 1rw5 h LEU 18 Ca -0.09 -0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 57.50 1rw5 h LEU 18 Cb 0.67 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1rw5 h LEU 18 CO 0.15 0.81 0.18 0.15 -0.62 0.00 0.00 178.44 179.11 1rw5 h PHE 19 N 0.89 0.69 -0.86 1.25 3.04 -1.19 0.43 116.94 121.20 1rw5 h PHE 19 Ca 0.20 -0.05 0.04 0.00 3.98 0.00 0.00 57.97 62.13 1rw5 h PHE 19 Cb 0.27 -0.21 -0.05 0.00 2.56 0.00 0.00 35.95 38.53 1rw5 h PHE 19 CO 0.02 0.59 0.56 0.22 -2.02 0.00 0.00 178.31 177.68 1rw5 h ASP 20 N 0.59 0.92 -0.05 0.41 3.58 -0.16 0.19 116.42 121.90 1rw5 h ASP 20 Ca 0.15 -0.01 -0.17 0.00 0.42 0.00 0.00 57.03 57.43 1rw5 h ASP 20 Cb 0.19 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1rw5 h ASP 20 CO -0.01 0.63 -0.54 0.03 -2.88 0.00 0.00 179.24 176.47 1rw5 h ARG 21 N 1.07 0.63 -0.33 0.28 3.08 -0.52 -2.72 114.38 115.87 1rw5 h ARG 21 Ca 0.34 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1rw5 h ARG 21 Cb 0.03 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1rw5 h ARG 21 CO -0.10 1.01 -0.05 0.00 -1.07 0.00 0.00 179.97 179.76 1rw5 h ALA 22 N 0.91 1.30 -0.34 0.04 0.00 0.16 0.60 119.26 121.93 1rw5 h ALA 22 Ca 0.01 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1rw5 h ALA 22 Cb 1.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1rw5 h ALA 22 CO 0.11 0.47 -0.12 0.28 0.00 0.00 0.00 179.25 179.99 1rw5 h VAL 23 N 0.50 1.28 0.01 0.00 2.07 -0.51 -2.32 116.25 117.28 1rw5 h VAL 23 Ca 0.10 -1.21 -0.23 0.00 0.82 0.00 0.00 66.70 66.18 1rw5 h VAL 23 Cb 0.40 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1rw5 h VAL 23 CO 0.02 0.39 -0.98 0.58 0.02 0.00 0.00 177.57 177.60 1rw5 h VAL 24 N 0.46 1.39 -0.61 2.57 2.07 -1.20 -3.20 116.25 117.74 1rw5 h VAL 24 Ca 0.08 -2.47 0.04 0.00 0.82 0.00 0.00 66.70 65.16 1rw5 h VAL 24 Cb 0.64 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 1rw5 h VAL 24 CO 0.04 0.74 0.41 0.25 0.02 0.00 0.00 177.57 179.03 1rw5 h LEU 25 N 0.24 0.62 -1.53 2.57 5.85 0.27 -1.27 115.31 122.06 1rw5 h LEU 25 Ca -0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1rw5 h LEU 25 Cb 1.63 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 1rw5 h LEU 25 CO 0.17 0.42 0.08 0.28 -0.34 0.00 0.00 178.44 179.06 1rw5 h SER 26 N 0.71 0.35 0.36 1.25 0.02 -1.41 -1.55 113.55 113.29 1rw5 h SER 26 Ca 0.25 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.05 1rw5 h SER 26 Cb 0.10 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1rw5 h SER 26 CO -0.07 0.35 -0.47 0.45 -1.14 0.00 0.00 176.83 175.95 1rw5 h HIS 27 N 0.39 0.17 0.04 3.45 3.86 -1.33 -2.74 115.15 118.99 1rw5 h HIS 27 Ca 0.10 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1rw5 h HIS 27 Cb 0.13 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1rw5 h HIS 27 CO 0.00 0.59 -0.02 -0.92 0.86 0.00 0.00 177.93 178.44 1rw5 h TYR 28 N 0.12 -0.05 -0.47 2.45 3.20 -1.17 -1.95 116.97 119.09 1rw5 h TYR 28 Ca 0.01 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.90 1rw5 h TYR 28 Cb 0.88 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 1rw5 h TYR 28 CO 0.01 0.06 0.31 0.82 -1.64 0.00 0.00 178.16 177.72 1rw5 h ILE 29 N -0.16 1.05 -0.42 1.81 2.04 -1.46 -0.46 117.51 119.91 1rw5 h ILE 29 Ca -0.01 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1rw5 h ILE 29 Cb 0.14 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1rw5 h ILE 29 CO 0.01 0.10 0.21 -0.74 0.00 0.00 0.00 178.15 177.72 1rw5 h HIS 30 N 0.54 0.38 -0.53 1.37 2.76 -1.06 0.32 115.15 118.93 1rw5 h HIS 30 Ca 0.19 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.32 1rw5 h HIS 30 Cb 0.09 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1rw5 h HIS 30 CO -0.00 0.20 0.11 -0.91 -1.30 0.00 0.00 177.93 176.03 1rw5 h ASN 31 N 0.42 0.81 0.90 3.26 2.35 -0.52 0.62 115.58 123.42 1rw5 h ASN 31 Ca 0.18 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1rw5 h ASN 31 Cb 0.09 -0.21 0.01 0.00 0.05 0.00 0.00 38.32 38.25 1rw5 h ASN 31 CO -0.13 0.85 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.99 1rw5 h LEU 32 N 0.74 -1.05 -1.04 1.61 3.38 -0.22 0.71 115.31 119.44 1rw5 h LEU 32 Ca 0.16 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1rw5 h LEU 32 Cb 0.36 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1rw5 h LEU 32 CO 0.00 -0.74 0.10 0.77 0.09 0.00 0.00 178.44 178.67 1rw5 h SER 33 N -1.22 0.74 0.25 -0.43 4.64 -0.36 0.63 113.55 117.80 1rw5 h SER 33 Ca -0.12 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 1rw5 h SER 33 Cb 0.94 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1rw5 h SER 33 CO 0.19 0.74 -0.12 -1.28 -0.87 0.00 0.00 176.83 175.50 1rw5 h SER 34 N 0.76 -0.28 -0.15 4.97 0.87 0.48 -1.52 113.55 118.69 1rw5 h SER 34 Ca 0.17 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.36 1rw5 h SER 34 Cb 0.31 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1rw5 h SER 34 CO 0.00 0.14 -0.41 -0.33 -0.53 0.00 0.00 176.83 175.70 1rw5 h GLU 35 N -0.76 0.54 -0.44 2.24 5.08 0.50 -0.92 114.58 120.81 1rw5 h GLU 35 Ca -0.03 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1rw5 h GLU 35 Cb 0.50 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1rw5 h GLU 35 CO 0.06 1.00 0.25 1.98 -1.00 0.00 0.00 179.01 181.29 1rw5 h MET 36 N 0.17 0.48 -0.37 2.33 4.05 0.18 0.23 114.93 122.00 1rw5 h MET 36 Ca -0.01 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 1rw5 h MET 36 Cb 1.02 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.70 1rw5 h MET 36 CO 0.09 0.32 -0.01 0.35 0.23 0.00 0.00 176.91 177.88 1rw5 h PHE 37 N 0.49 0.72 -0.92 1.39 3.57 -1.28 -1.99 116.94 118.92 1rw5 h PHE 37 Ca 0.18 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1rw5 h PHE 37 Cb 0.04 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 1rw5 h PHE 37 CO -0.08 0.76 0.55 0.77 -2.23 0.00 0.00 178.31 178.08 1rw5 h SER 38 N 0.47 1.12 -0.74 0.41 0.02 -0.62 0.95 113.55 115.16 1rw5 h SER 38 Ca 0.10 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1rw5 h SER 38 Cb 0.48 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1rw5 h SER 38 CO 0.02 0.87 0.32 -0.33 -1.14 0.00 0.00 176.83 176.57 1rw5 h GLU 39 N 1.28 1.10 0.09 3.45 5.08 -0.35 0.26 114.58 125.49 1rw5 h GLU 39 Ca 0.33 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1rw5 h GLU 39 Cb -0.04 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1rw5 h GLU 39 CO -0.06 0.88 -0.04 0.35 -1.00 0.00 0.00 179.01 179.13 1rw5 h PHE 40 N 1.08 -0.12 -0.92 4.33 3.57 -0.53 -2.29 116.94 122.06 1rw5 h PHE 40 Ca 0.26 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.89 1rw5 h PHE 40 Cb 0.17 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.87 1rw5 h PHE 40 CO 0.02 0.42 0.59 0.22 -2.23 0.00 0.00 178.31 177.32 1rw5 h ASP 41 N -0.82 0.73 -0.06 0.41 1.82 0.10 -0.34 116.42 118.26 1rw5 h ASP 41 Ca -0.01 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1rw5 h ASP 41 Cb 0.58 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1rw5 h ASP 41 CO 0.02 0.37 0.00 0.29 -1.61 0.00 0.00 179.24 178.31 1rw5 n LYS 42 N -4.58 1.75 -0.02 0.28 4.76 0.89 -0.44 118.16 120.80 1rw5 n LYS 42 Ca 0.18 -1.11 -0.02 0.00 -2.87 0.00 0.00 58.31 54.49 1rw5 n LYS 42 Cb 0.44 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 32.17 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rw5 n ARG 43 N 0.34 0.15 0.05 1.97 1.74 -0.17 -4.22 116.66 116.51 1rw5 n ARG 43 Ca 0.18 0.06 0.03 0.00 -0.77 0.00 0.00 57.85 57.35 1rw5 n ARG 43 Cb 0.38 -0.72 -0.06 0.00 -1.02 0.00 0.00 32.46 31.03 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 -3.07 0.96 -1.33 -1.55 4.01 -1.03 -4.17 117.16 110.99 1rw5 n TYR 44 Ca -0.04 0.31 0.05 0.00 -0.16 0.00 0.00 57.90 58.06 1rw5 n TYR 44 Cb 0.14 -1.05 0.20 0.00 -0.31 0.00 0.00 39.34 38.32 1rw5 n TYR 44 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1rw5 n THR 45 N -2.82 2.23 -0.21 -0.72 -2.24 -1.19 -4.66 114.28 104.67 1rw5 n THR 45 Ca -0.07 -2.64 0.01 0.00 -2.27 0.00 0.00 64.05 59.08 1rw5 n THR 45 Cb 0.76 -0.26 0.12 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.85 0.37 -0.03 4.78 6.17 -0.91 -3.37 115.15 123.01 1rw5 h HIS 46 Ca 0.06 0.03 -0.19 0.00 0.71 0.00 0.00 60.37 60.99 1rw5 h HIS 46 Cb 1.24 -0.07 -0.16 0.00 2.52 0.00 0.00 27.41 30.94 1rw5 h HIS 46 CO 0.59 0.06 -0.34 0.41 0.71 0.00 0.00 177.93 179.37 1rw5 n GLY 47 N -1.30 1.90 0.31 5.26 0.00 -1.26 -4.93 105.19 105.16 1rw5 n GLY 47 Ca 0.10 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 1.30 0.01 0.00 1.61 3.08 -1.83 -3.46 114.38 115.09 1rw5 h ARG 48 Ca -0.40 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.65 1rw5 h ARG 48 Cb 1.30 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1rw5 h ARG 48 CO -0.14 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.18 1rw5 n GLY 49 N -1.58 0.72 0.67 0.04 0.00 -1.26 -4.93 105.19 98.85 1rw5 n GLY 49 Ca 0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.31 0.00 -4.04 1.61 -1.74 -1.26 -5.07 117.46 103.65 1rw5 n PHE 50 Ca 0.00 -0.12 -0.31 0.00 -0.56 0.00 0.00 57.45 56.47 1rw5 n PHE 50 Cb 0.37 0.14 -0.16 0.00 1.52 0.00 0.00 39.48 41.35 1rw5 n PHE 50 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 1rw5 s ILE 51 N 0.00 1.70 0.30 1.97 -4.36 -1.26 -5.09 121.20 114.46 1rw5 s ILE 51 Ca 0.03 -0.81 0.02 0.00 -0.26 0.00 0.00 60.65 59.64 1rw5 s ILE 51 Cb 0.04 -1.63 -0.05 0.00 1.25 0.00 0.00 42.46 42.07 1rw5 s ILE 51 CO -0.02 0.39 0.10 0.42 0.24 0.00 0.00 174.94 176.08 1rw5 s THR 52 N 1.42 0.69 -2.02 8.37 -4.23 -1.26 -5.03 115.64 113.59 1rw5 s THR 52 Ca 0.03 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.84 1rw5 s THR 52 Cb -0.14 -2.63 0.84 0.00 1.34 0.00 0.00 72.50 71.91 1rw5 s THR 52 CO -0.10 0.00 2.13 0.29 -0.54 0.00 0.00 174.62 176.40 1rw5 n LYS 53 N -0.58 1.02 -1.55 3.99 5.02 -1.26 -4.09 118.16 120.70 1rw5 n LYS 53 Ca -0.01 -0.03 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 1rw5 n LYS 53 Cb 0.66 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 34.15 1rw5 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rw5 n ALA 54 N -0.93 6.50 -2.45 7.82 0.00 -1.26 -4.91 120.51 125.29 1rw5 n ALA 54 Ca 0.22 -3.18 -0.28 0.00 0.00 0.00 0.00 53.44 50.20 1rw5 n ALA 54 Cb 0.11 -2.22 -0.12 0.00 0.00 0.00 0.00 19.45 17.22 1rw5 n ALA 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rw5 s ILE 55 N -2.11 2.57 -0.53 0.00 1.01 -1.26 -5.03 121.20 115.85 1rw5 s ILE 55 Ca 0.58 -1.72 -0.26 0.00 0.00 0.00 0.00 60.65 59.25 1rw5 s ILE 55 Cb 0.36 -2.19 -0.08 0.00 0.01 0.00 0.00 42.46 40.56 1rw5 s ILE 55 CO -0.21 0.03 2.44 0.59 0.00 0.00 0.00 174.94 177.79 1rw5 n ASN 56 N 0.65 2.17 -4.67 3.58 5.03 -1.26 -4.92 115.26 115.84 1rw5 n ASN 56 Ca -0.15 -0.48 -0.29 0.00 0.87 0.00 0.00 54.58 54.52 1rw5 n ASN 56 Cb 0.54 -1.54 0.15 0.00 -1.02 0.00 0.00 39.78 37.90 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1rw5 s SER 57 N 12.04 3.29 1.03 6.41 1.04 -1.26 -4.94 113.70 131.31 1rw5 s SER 57 Ca 1.01 0.89 -0.17 0.00 0.48 0.00 0.00 55.95 58.16 1rw5 s SER 57 Cb -0.25 -1.40 0.02 0.00 0.10 0.00 0.00 66.02 64.49 1rw5 s SER 57 CO 0.27 -2.68 -0.06 0.00 0.98 0.00 0.00 173.24 171.76 1rw5 n HIS 59 N -3.79 0.98 0.22 0.00 8.25 -1.26 -4.47 115.22 115.15 1rw5 n HIS 59 Ca 0.03 -0.54 0.14 0.00 -0.26 0.00 0.00 57.72 57.08 1rw5 n HIS 59 Cb 0.59 -0.07 0.77 0.00 1.12 0.00 0.00 29.99 32.40 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 3.62 0.70 -0.46 1.59 1.35 -1.98 0.10 112.91 117.84 1rw5 h THR 60 Ca 0.00 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.99 1rw5 h THR 60 Cb 1.05 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1rw5 h THR 60 CO 0.06 0.00 0.33 -1.28 -0.25 0.00 0.00 175.52 174.38 1rw5 h SER 61 N 0.00 0.02 -0.46 5.36 0.87 -1.98 0.14 113.55 117.51 1rw5 h SER 61 Ca 0.06 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.75 1rw5 h SER 61 Cb 0.26 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1rw5 h SER 61 CO -0.00 0.01 0.42 0.28 -0.53 0.00 0.00 176.83 177.01 1rw5 h SER 62 N 0.02 0.00 -2.35 6.23 0.02 -1.14 -3.42 113.55 112.92 1rw5 h SER 62 Ca 0.22 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.89 1rw5 h SER 62 Cb 0.84 0.00 0.16 0.00 0.14 0.00 0.00 62.40 63.54 1rw5 h SER 62 CO -0.01 0.00 -0.23 0.18 -1.14 0.00 0.00 176.83 175.63 1rw5 n LEU 63 N -3.93 -1.01 -1.99 5.07 7.99 0.50 -4.84 117.00 118.78 1rw5 n LEU 63 Ca 0.08 -0.54 -0.19 0.00 -0.01 0.00 0.00 56.01 55.35 1rw5 n LEU 63 Cb 0.62 -0.87 0.15 0.00 -0.11 0.00 0.00 43.42 43.20 1rw5 n LEU 63 CO 0.31 -3.73 1.14 0.00 -1.51 0.00 0.00 177.39 173.59 1rw5 n ALA 64 N -4.93 5.01 -0.98 -1.18 0.00 -1.26 -4.98 120.51 112.18 1rw5 n ALA 64 Ca 0.08 -2.34 -0.34 0.00 0.00 0.00 0.00 53.44 50.84 1rw5 n ALA 64 Cb 0.44 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.64 1rw5 n ALA 64 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rw5 n THR 65 N -0.83 0.97 -1.70 0.00 -2.24 -1.26 -4.84 114.28 104.38 1rw5 n THR 65 Ca 0.48 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.60 1rw5 n THR 65 Cb 1.45 -0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 1rw5 n THR 65 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1rw5 n PRO 66 N -2.04 2.52 -0.06 -0.78 -0.04 -1.26 -4.88 135.00 128.46 1rw5 n PRO 66 Ca 0.10 0.91 -0.00 0.00 -0.04 0.00 0.00 63.50 64.46 1rw5 n PRO 66 Cb 0.52 -2.71 0.28 0.00 -0.04 0.00 0.00 33.50 31.55 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 6.13 0.65 -3.59 0.54 5.08 -1.92 -3.46 114.58 118.02 1rw5 h GLU 67 Ca -0.44 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 57.71 1rw5 h GLU 67 Cb 1.23 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 1rw5 h GLU 67 CO 0.91 0.59 -0.03 0.16 -1.00 0.00 0.00 179.01 179.63 1rw5 s ASP 68 N -6.65 0.17 0.26 1.42 -4.77 -1.26 -5.02 116.67 100.82 1rw5 s ASP 68 Ca -0.09 -1.08 -0.05 0.00 -3.30 0.00 0.00 52.55 48.04 1rw5 s ASP 68 Cb 0.16 0.67 0.31 0.00 -1.09 0.00 0.00 42.92 42.97 1rw5 s ASP 68 CO 0.77 -1.30 1.92 0.11 0.70 0.00 0.00 175.17 177.36 1rw5 h LYS 69 N 2.14 1.21 -0.48 2.11 1.57 -2.00 -1.26 116.57 119.86 1rw5 h LYS 69 Ca -0.27 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.36 1rw5 h LYS 69 Cb 1.25 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1rw5 h LYS 69 CO 0.36 0.83 0.12 0.93 -0.57 0.00 0.00 179.45 181.12 1rw5 h GLU 70 N 1.23 0.78 -0.38 3.15 5.08 -1.99 -2.34 114.58 120.11 1rw5 h GLU 70 Ca 0.32 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 1rw5 h GLU 70 Cb -0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1rw5 h GLU 70 CO -0.06 0.76 -0.10 0.37 -1.00 0.00 0.00 179.01 178.98 1rw5 h GLN 71 N 0.66 0.65 -0.71 2.33 4.15 -1.87 -2.13 115.11 118.19 1rw5 h GLN 71 Ca 0.15 -0.20 0.04 0.00 0.77 0.00 0.00 58.65 59.41 1rw5 h GLN 71 Cb 0.33 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 1rw5 h GLN 71 CO 0.00 0.74 0.44 0.00 -1.93 0.00 0.00 178.83 178.08 1rw5 h ALA 72 N 1.30 0.93 -0.94 3.38 0.00 -0.85 0.42 119.26 123.50 1rw5 h ALA 72 Ca 0.11 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1rw5 h ALA 72 Cb 0.52 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1rw5 h ALA 72 CO 0.03 0.20 0.61 0.37 0.00 0.00 0.00 179.25 180.46 1rw5 h GLN 73 N 0.84 1.25 -0.24 0.00 5.75 -0.91 0.30 115.11 122.10 1rw5 h GLN 73 Ca 0.29 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1rw5 h GLN 73 Cb 0.05 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 1rw5 h GLN 73 CO -0.12 0.84 -0.08 1.96 -2.65 0.00 0.00 178.83 178.78 1rw5 h GLN 74 N 1.28 0.38 -5.95 1.69 4.20 -0.12 -3.39 115.11 113.20 1rw5 h GLN 74 Ca 0.34 -0.09 -0.59 0.00 0.06 0.00 0.00 58.65 58.38 1rw5 h GLN 74 Cb -0.13 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.53 1rw5 h GLN 74 CO -0.07 0.48 0.65 -1.64 -0.67 0.00 0.00 178.83 177.57 1rw5 s MET 75 N -4.83 4.22 -0.14 1.46 -1.94 0.12 -4.86 119.30 113.33 1rw5 s MET 75 Ca -0.06 1.15 0.24 0.00 -1.71 0.00 0.00 55.69 55.30 1rw5 s MET 75 Cb 0.15 -3.65 0.47 0.00 2.01 0.00 0.00 34.83 33.82 1rw5 s MET 75 CO 0.75 -0.59 1.14 -1.71 -0.01 0.00 0.00 175.02 174.61 1rw5 n ASN 76 N 6.19 1.37 -2.75 3.03 5.15 -1.26 -4.87 115.26 122.12 1rw5 n ASN 76 Ca 0.09 -2.09 -0.08 0.00 -0.60 0.00 0.00 54.58 51.90 1rw5 n ASN 76 Cb 0.47 -0.39 -0.01 0.00 -0.53 0.00 0.00 39.78 39.32 1rw5 n ASN 76 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rw5 n GLN 77 N -0.09 1.42 0.23 1.20 6.02 -1.26 -4.98 117.38 119.92 1rw5 n GLN 77 Ca 0.08 -0.95 0.16 0.00 -0.01 0.00 0.00 57.00 56.27 1rw5 n GLN 77 Cb 0.97 0.16 0.84 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 -0.99 -1.09 1.57 -2.01 -2.90 116.57 111.15 1rw5 h LYS 78 Ca -0.10 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.83 1rw5 h LYS 78 Cb 0.34 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.56 1rw5 h LYS 78 CO 0.16 0.00 0.61 -0.44 -0.57 0.00 0.00 179.45 179.21 1rw5 h ASP 79 N 0.00 0.85 0.70 0.86 3.32 -1.97 0.16 116.42 120.35 1rw5 h ASP 79 Ca 0.00 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1rw5 h ASP 79 Cb 0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1rw5 h ASP 79 CO 0.00 0.40 -0.37 -0.26 -1.72 0.00 0.00 179.24 177.29 1rw5 h PHE 80 N 0.89 -0.96 -0.80 4.55 -1.00 -1.87 0.82 116.94 118.58 1rw5 h PHE 80 Ca 0.52 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 61.26 1rw5 h PHE 80 Cb 0.64 0.33 -0.04 0.00 3.61 0.00 0.00 35.95 40.49 1rw5 h PHE 80 CO -0.01 -0.58 0.37 -0.07 -1.61 0.00 0.00 178.31 176.42 1rw5 h LEU 81 N -0.98 1.05 -0.80 1.54 -0.00 -1.65 -2.55 115.31 111.92 1rw5 h LEU 81 Ca -0.09 -0.14 -0.12 0.00 -0.00 0.00 0.00 57.88 57.52 1rw5 h LEU 81 Cb 0.77 -0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 1rw5 h LEU 81 CO 0.13 0.90 -0.46 0.77 -0.00 0.00 0.00 178.44 179.78 1rw5 h SER 82 N 1.13 0.34 -0.74 -0.43 4.64 -0.49 -3.02 113.55 114.99 1rw5 h SER 82 Ca 0.27 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1rw5 h SER 82 Cb 0.13 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1rw5 h SER 82 CO -0.03 0.76 0.24 -0.07 -0.87 0.00 0.00 176.83 176.85 1rw5 h LEU 83 N 0.26 1.08 -0.25 5.97 3.38 0.11 -2.40 115.31 123.45 1rw5 h LEU 83 Ca 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rw5 h LEU 83 Cb 0.92 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1rw5 h LEU 83 CO 0.08 1.00 0.14 0.40 0.09 0.00 0.00 178.44 180.14 1rw5 h ILE 84 N 1.10 1.12 -0.71 1.22 2.04 -1.36 -2.28 117.51 118.64 1rw5 h ILE 84 Ca 0.24 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.82 1rw5 h ILE 84 Cb 0.30 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1rw5 h ILE 84 CO -0.01 0.12 0.45 0.58 0.00 0.00 0.00 178.15 179.29 1rw5 h VAL 85 N 0.29 1.10 -0.86 1.67 2.07 -1.41 -1.92 116.25 117.19 1rw5 h VAL 85 Ca 0.09 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1rw5 h VAL 85 Cb 0.06 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1rw5 h VAL 85 CO -0.01 0.16 0.42 0.77 0.02 0.00 0.00 177.57 178.93 1rw5 h SER 86 N 0.88 1.12 0.45 0.57 4.64 -1.19 -0.29 113.55 119.74 1rw5 h SER 86 Ca 0.28 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 1rw5 h SER 86 Cb 0.01 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1rw5 h SER 86 CO -0.11 0.94 -0.22 0.40 -0.87 0.00 0.00 176.83 176.98 1rw5 h ILE 87 N 1.23 0.42 -0.73 0.95 2.04 -0.83 -1.45 117.51 119.13 1rw5 h ILE 87 Ca 0.30 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1rw5 h ILE 87 Cb 0.11 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1rw5 h ILE 87 CO -0.04 0.07 0.30 -0.07 0.00 0.00 0.00 178.15 178.41 1rw5 h LEU 88 N -0.95 1.01 -0.74 1.44 3.38 -1.35 -2.80 115.31 115.30 1rw5 h LEU 88 Ca -0.06 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1rw5 h LEU 88 Cb 0.58 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1rw5 h LEU 88 CO 0.10 0.90 -0.21 -0.09 0.09 0.00 0.00 178.44 179.23 1rw5 h ARG 89 N 1.05 0.73 -0.13 1.13 2.43 -1.11 -2.73 114.38 115.76 1rw5 h ARG 89 Ca 0.24 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1rw5 h ARG 89 Cb 0.21 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1rw5 h ARG 89 CO -0.02 0.88 0.03 0.66 -1.51 0.00 0.00 179.97 180.01 1rw5 h SER 90 N 0.64 0.15 1.04 -3.80 4.64 -1.00 -1.79 113.55 113.44 1rw5 h SER 90 Ca 0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1rw5 h SER 90 Cb 0.70 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1rw5 h SER 90 CO 0.05 0.17 -0.38 0.79 -0.87 0.00 0.00 176.83 176.59 1rw5 n TRP 91 N -4.46 0.61 -0.36 4.77 7.02 -1.05 -3.93 117.44 120.04 1rw5 n TRP 91 Ca -0.01 0.18 0.03 0.00 -1.02 0.00 0.00 57.50 56.68 1rw5 n TRP 91 Cb 0.13 -0.71 0.19 0.00 -2.42 0.00 0.00 31.31 28.49 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 1.02 0.33 -0.99 -1.24 -1.10 -2.01 115.58 111.59 1rw5 h ASN 92 Ca 0.00 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1rw5 h ASN 92 Cb 0.71 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1rw5 h ASN 92 CO 0.00 0.65 -0.16 -0.08 -1.29 0.00 0.00 177.43 176.55 1rw5 h GLU 93 N 1.15 -0.43 -1.01 6.67 4.81 -1.71 -3.08 114.58 120.99 1rw5 h GLU 93 Ca 0.43 0.03 0.28 0.00 -0.13 0.00 0.00 59.36 59.97 1rw5 h GLU 93 Cb 0.19 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 29.53 1rw5 h GLU 93 CO -0.17 -0.21 0.59 -1.35 -0.73 0.00 0.00 179.01 177.13 1rw5 h PRO 94 N -1.07 0.46 -0.24 0.92 0.11 -1.71 0.35 132.00 130.82 1rw5 h PRO 94 Ca -0.05 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1rw5 h PRO 94 Cb 0.42 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1rw5 h PRO 94 CO 0.07 0.30 -0.25 -0.07 -0.21 0.00 0.00 178.00 177.85 1rw5 h LEU 95 N 0.47 0.45 -0.46 2.35 3.38 -1.44 -2.25 115.31 117.81 1rw5 h LEU 95 Ca 0.68 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.57 1rw5 h LEU 95 Cb 1.42 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 1rw5 h LEU 95 CO -0.53 0.70 0.13 0.22 0.09 0.00 0.00 178.44 179.05 1rw5 h TYR 96 N 0.40 0.22 -0.28 1.13 5.03 -0.19 -1.48 116.97 121.80 1rw5 h TYR 96 Ca 0.06 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.21 1rw5 h TYR 96 Cb 0.65 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.90 1rw5 h TYR 96 CO 0.02 0.05 -0.56 0.45 -1.32 0.00 0.00 178.16 176.80 1rw5 h HIS 97 N 0.28 1.08 -0.43 -3.82 -0.00 -1.43 -2.87 115.15 107.95 1rw5 h HIS 97 Ca 0.22 -0.39 0.08 0.00 -0.00 0.00 0.00 60.37 60.28 1rw5 h HIS 97 Cb 0.26 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 27.40 1rw5 h HIS 97 CO -0.18 1.22 0.02 -0.07 -0.00 0.00 0.00 177.93 178.91 1rw5 h LEU 98 N 0.65 -0.14 -1.10 2.43 4.07 -0.78 0.87 115.31 121.32 1rw5 h LEU 98 Ca 0.01 0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 1rw5 h LEU 98 Cb 1.17 0.16 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 1rw5 h LEU 98 CO 0.12 -0.03 -0.27 1.62 -1.08 0.00 0.00 178.44 178.80 1rw5 h VAL 99 N 0.13 1.25 -0.03 1.22 3.04 -1.30 -1.15 116.25 119.41 1rw5 h VAL 99 Ca 0.21 -1.20 -0.02 0.00 -1.01 0.00 0.00 66.70 64.68 1rw5 h VAL 99 Cb 0.30 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 1rw5 h VAL 99 CO -0.34 0.37 -0.07 0.71 -1.01 0.00 0.00 177.57 177.23 1rw5 h THR 100 N 0.27 1.44 -0.51 3.17 1.35 -0.96 -2.24 112.91 115.44 1rw5 h THR 100 Ca 0.04 -1.42 -0.07 0.00 -0.55 0.00 0.00 66.41 64.41 1rw5 h THR 100 Cb 0.62 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 1rw5 h THR 100 CO 0.04 0.38 0.03 -0.33 -0.25 0.00 0.00 175.52 175.39 1rw5 h GLU 101 N -0.44 0.88 -0.85 4.72 4.39 -0.85 -2.84 114.58 119.60 1rw5 h GLU 101 Ca 0.00 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1rw5 h GLU 101 Cb 0.66 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 1rw5 h GLU 101 CO 0.02 0.90 0.46 0.28 -1.16 0.00 0.00 179.01 179.50 1rw5 h VAL 102 N 0.75 1.25 -0.86 3.13 2.07 -1.26 -1.70 116.25 119.63 1rw5 h VAL 102 Ca 0.15 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 67.16 1rw5 h VAL 102 Cb 0.48 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 1rw5 h VAL 102 CO 0.02 0.28 0.56 -0.09 0.02 0.00 0.00 177.57 178.35 1rw5 h ARG 103 N 1.19 0.76 -0.07 1.57 2.43 -1.15 0.22 114.38 119.32 1rw5 h ARG 103 Ca 0.30 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1rw5 h ARG 103 Cb 0.03 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1rw5 h ARG 103 CO -0.05 0.50 0.00 0.41 -1.51 0.00 0.00 179.97 179.32 1rw5 n GLY 104 N -1.43 -0.22 3.51 2.80 0.00 -0.68 -4.75 105.19 104.42 1rw5 n GLY 104 Ca 0.15 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.92 3.29 0.25 1.61 -2.45 0.76 -4.89 119.30 115.95 1rw5 s MET 105 Ca 0.35 -0.39 -0.06 0.00 -1.25 0.00 0.00 55.69 54.35 1rw5 s MET 105 Cb 0.18 -4.04 0.27 0.00 1.25 0.00 0.00 34.83 32.49 1rw5 s MET 105 CO 0.29 -1.33 1.89 1.96 1.05 0.00 0.00 175.02 178.88 1rw5 h GLN 106 N 9.15 1.24 -0.13 4.11 4.20 -1.85 0.42 115.11 132.25 1rw5 h GLN 106 Ca -0.26 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 1rw5 h GLN 106 Cb 1.08 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 1rw5 h GLN 106 CO 1.03 0.88 -0.25 1.49 -0.67 0.00 0.00 178.83 181.30 1rw5 h GLU 107 N 1.26 0.23 -2.23 1.46 4.57 -1.95 -3.32 114.58 114.61 1rw5 h GLU 107 Ca 0.33 -0.08 -0.58 0.00 -1.18 0.00 0.00 59.36 57.85 1rw5 h GLU 107 Cb -0.04 -0.02 -0.40 0.00 -0.16 0.00 0.00 28.75 28.13 1rw5 h GLU 107 CO -0.06 0.47 -0.89 0.00 -1.18 0.00 0.00 179.01 177.35 1rw5 n ALA 108 N -2.48 3.05 -0.26 2.92 0.00 -0.54 -4.96 120.51 118.25 1rw5 n ALA 108 Ca -0.01 -3.84 0.00 0.00 0.00 0.00 0.00 53.44 49.59 1rw5 n ALA 108 Cb 0.36 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1rw5 n ALA 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rw5 n PRO 109 N 1.57 0.00 -0.39 0.00 -0.04 0.03 -4.35 135.00 131.82 1rw5 n PRO 109 Ca 0.25 0.21 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 1rw5 n PRO 109 Cb 0.47 -0.66 0.32 0.00 -0.04 0.00 0.00 33.50 33.59 1rw5 n PRO 109 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rw5 n GLU 110 N -1.88 2.79 0.00 0.54 1.02 -1.26 -3.85 120.64 117.99 1rw5 n GLU 110 Ca 0.00 -2.63 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 1rw5 n GLU 110 Cb 0.00 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 1.57 0.00 0.15 0.62 0.00 -1.26 -4.00 120.51 117.59 1rw5 n ALA 111 Ca 0.24 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1rw5 n ALA 111 Cb 0.64 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.29 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 1.21 -0.36 0.00 2.04 -1.82 -3.10 117.51 115.48 1rw5 h ILE 112 Ca 0.00 -2.00 -0.04 0.00 1.00 0.00 0.00 64.86 63.82 1rw5 h ILE 112 Cb 0.00 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1rw5 h ILE 112 CO 0.00 0.54 0.06 0.25 0.00 0.00 0.00 178.15 178.99 1rw5 h LEU 113 N 0.00 0.50 -0.77 1.44 6.46 -1.80 -1.86 115.31 119.30 1rw5 h LEU 113 Ca -0.01 -0.08 0.08 0.00 -0.12 0.00 0.00 57.88 57.76 1rw5 h LEU 113 Cb 1.09 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.82 1rw5 h LEU 113 CO 0.07 0.53 0.43 0.28 -0.62 0.00 0.00 178.44 179.14 1rw5 h SER 114 N 0.53 0.62 0.41 1.25 0.02 -1.67 0.11 113.55 114.82 1rw5 h SER 114 Ca 0.12 0.04 -0.27 0.00 -0.84 0.00 0.00 61.79 60.85 1rw5 h SER 114 Cb 0.26 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.73 1rw5 h SER 114 CO 0.00 0.37 -1.15 0.11 -1.14 0.00 0.00 176.83 175.02 1rw5 h LYS 115 N 0.75 0.41 -0.66 3.45 6.56 -1.64 -3.10 116.57 122.33 1rw5 h LYS 115 Ca 0.36 -0.56 -0.08 0.00 -1.06 0.00 0.00 60.65 59.31 1rw5 h LYS 115 Cb 0.29 0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 32.11 1rw5 h LYS 115 CO -0.22 1.23 0.11 0.00 -2.06 0.00 0.00 179.45 178.50 1rw5 h ALA 116 N 0.55 0.93 -0.31 3.86 0.00 -0.63 0.56 119.26 124.23 1rw5 h ALA 116 Ca -0.13 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 1rw5 h ALA 116 Cb 1.84 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1rw5 h ALA 116 CO 0.20 0.66 -0.46 -0.24 0.00 0.00 0.00 179.25 179.42 1rw5 h VAL 117 N 1.03 1.28 0.01 0.00 3.04 -0.89 -3.05 116.25 117.67 1rw5 h VAL 117 Ca 0.20 -1.65 -0.22 0.00 -1.01 0.00 0.00 66.70 64.02 1rw5 h VAL 117 Cb 0.44 1.53 -0.03 0.00 -2.01 0.00 0.00 31.29 31.22 1rw5 h VAL 117 CO 0.01 0.54 -1.08 1.05 -1.01 0.00 0.00 177.57 177.07 1rw5 h GLU 118 N 0.64 0.03 -0.33 4.17 4.11 -1.43 -3.28 114.58 118.49 1rw5 h GLU 118 Ca 0.04 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 1rw5 h GLU 118 Cb 1.04 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1rw5 h GLU 118 CO 0.10 0.98 -0.14 0.97 0.07 0.00 0.00 179.01 180.99 1rw5 h ILE 119 N 0.01 1.25 -0.08 -1.06 2.10 0.12 -0.78 117.51 119.07 1rw5 h ILE 119 Ca -0.05 -1.11 -0.09 0.00 1.08 0.00 0.00 64.86 64.69 1rw5 h ILE 119 Cb 1.81 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 38.68 1rw5 h ILE 119 CO 0.13 0.37 -0.35 -0.08 -1.08 0.00 0.00 178.15 177.14 1rw5 h GLU 120 N 0.54 0.16 0.08 2.19 4.81 -1.61 -2.07 114.58 118.67 1rw5 h GLU 120 Ca 0.09 -0.06 -0.21 0.00 -0.13 0.00 0.00 59.36 59.05 1rw5 h GLU 120 Cb 0.56 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.95 1rw5 h GLU 120 CO 0.04 0.49 -0.86 1.49 -0.73 0.00 0.00 179.01 179.44 1rw5 h GLU 121 N 0.14 0.45 -0.34 1.92 4.81 -1.48 -3.19 114.58 116.90 1rw5 h GLU 121 Ca 0.02 -0.59 -0.06 0.00 -0.13 0.00 0.00 59.36 58.60 1rw5 h GLU 121 Cb 0.69 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 1rw5 h GLU 121 CO 0.05 1.23 -0.04 0.37 -0.73 0.00 0.00 179.01 179.90 1rw5 h GLN 122 N -0.05 0.55 -0.44 1.92 5.75 -1.08 -2.49 115.11 119.25 1rw5 h GLN 122 Ca -0.13 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.18 1rw5 h GLN 122 Cb 1.60 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 30.05 1rw5 h GLN 122 CO 0.17 0.60 0.03 1.79 -2.65 0.00 0.00 178.83 178.76 1rw5 h THR 123 N 0.52 1.22 -0.02 2.39 1.35 -1.43 -2.53 112.91 114.41 1rw5 h THR 123 Ca 0.11 -0.89 -0.17 0.00 -0.55 0.00 0.00 66.41 64.90 1rw5 h THR 123 Cb 0.39 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1rw5 h THR 123 CO 0.02 0.32 -0.75 0.11 -0.25 0.00 0.00 175.52 174.96 1rw5 h LYS 124 N 0.67 0.17 -0.33 4.72 1.57 -1.45 -2.00 116.57 119.92 1rw5 h LYS 124 Ca 0.14 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1rw5 h LYS 124 Cb 0.38 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1rw5 h LYS 124 CO 0.01 0.84 0.20 0.00 -0.57 0.00 0.00 179.45 179.93 1rw5 h ARG 125 N 0.11 0.39 -0.52 3.15 3.08 -1.04 0.15 114.38 119.70 1rw5 h ARG 125 Ca -0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1rw5 h ARG 125 Cb 1.32 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 1rw5 h ARG 125 CO 0.11 0.26 0.23 -0.07 -1.07 0.00 0.00 179.97 179.43 1rw5 h LEU 126 N 0.40 0.70 -0.38 3.04 3.38 -1.43 0.54 115.31 121.56 1rw5 h LEU 126 Ca 0.13 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1rw5 h LEU 126 Cb -0.00 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 1rw5 h LEU 126 CO -0.06 0.66 -0.10 0.25 0.09 0.00 0.00 178.44 179.28 1rw5 h LEU 127 N 0.70 -0.36 -0.73 1.67 5.85 -0.48 0.95 115.31 122.92 1rw5 h LEU 127 Ca 0.18 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 1rw5 h LEU 127 Cb 0.15 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1rw5 h LEU 127 CO -0.02 -0.13 0.14 -0.08 -0.34 0.00 0.00 178.44 178.01 1rw5 h GLU 128 N -0.00 1.10 -0.73 1.25 4.81 -0.38 0.54 114.58 121.17 1rw5 h GLU 128 Ca 0.18 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1rw5 h GLU 128 Cb 0.28 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1rw5 h GLU 128 CO -0.39 0.99 0.48 0.78 -0.73 0.00 0.00 179.01 180.14 1rw5 h GLY 129 N 1.06 1.02 1.07 1.92 0.00 0.15 -0.10 103.07 108.20 1rw5 h GLY 129 Ca 0.21 -0.37 -0.25 0.00 0.00 0.00 0.00 47.33 46.92 1rw5 h GLY 129 CO 0.01 0.34 -1.05 -0.33 0.00 0.00 0.00 176.54 175.51 1rw5 h MET 130 N 0.94 0.55 -0.66 4.80 2.86 0.17 -0.69 114.93 122.91 1rw5 h MET 130 Ca 0.28 -0.72 -0.00 0.00 -2.06 0.00 0.00 59.70 57.20 1rw5 h MET 130 Cb -0.04 0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1rw5 h MET 130 CO -0.07 1.31 0.41 0.93 1.06 0.00 0.00 176.91 180.55 1rw5 h GLU 131 N 0.13 0.88 0.23 1.72 5.08 0.66 0.82 114.58 124.10 1rw5 h GLU 131 Ca -0.16 -0.07 -0.33 0.00 -1.00 0.00 0.00 59.36 57.80 1rw5 h GLU 131 Cb 1.75 -0.19 0.03 0.00 0.50 0.00 0.00 28.75 30.84 1rw5 h GLU 131 CO 0.20 0.60 -1.51 1.37 -1.00 0.00 0.00 179.01 178.68 1rw5 h LEU 132 N 0.90 0.75 0.14 1.33 8.10 -1.07 -2.35 115.31 123.11 1rw5 h LEU 132 Ca 0.24 -0.86 -0.01 0.00 0.11 0.00 0.00 57.88 57.36 1rw5 h LEU 132 Cb -0.06 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 39.92 1rw5 h LEU 132 CO -0.05 1.68 -0.07 0.40 -4.11 0.00 0.00 178.44 176.30 1rw5 h ILE 133 N 0.13 0.96 -0.70 0.15 2.04 -0.60 -0.06 117.51 119.42 1rw5 h ILE 133 Ca -0.26 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.20 1rw5 h ILE 133 Cb 2.14 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 39.40 1rw5 h ILE 133 CO 0.25 0.10 0.46 1.62 0.00 0.00 0.00 178.15 180.58 1rw5 h VAL 134 N -0.39 1.15 0.00 1.67 3.04 0.54 0.87 116.25 123.13 1rw5 h VAL 134 Ca -0.02 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 1rw5 h VAL 134 Cb 0.31 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.75 1rw5 h VAL 134 CO 0.03 0.17 0.00 0.77 -1.01 0.00 0.00 177.57 177.53 1rw5 h SER 135 N 0.91 0.00 0.00 3.17 4.64 -1.05 -0.74 113.55 120.47 1rw5 h SER 135 Ca 0.27 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.24 1rw5 h SER 135 Cb -0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 61.98 1rw5 h SER 135 CO -0.06 0.00 -2.32 0.00 -0.87 0.00 0.00 176.83 173.57 1rw5 n GLN 136 N -2.73 0.66 -0.14 4.77 6.02 -0.00 -3.69 117.38 122.27 1rw5 n GLN 136 Ca 0.02 0.11 -0.08 0.00 -0.01 0.00 0.00 57.00 57.04 1rw5 n GLN 136 Cb 0.31 -1.47 0.08 0.00 1.02 0.00 0.00 30.24 30.18 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1rw5 h VAL 137 N 0.00 1.26 -2.90 5.09 2.07 0.66 -3.34 116.25 119.10 1rw5 h VAL 137 Ca -0.52 -1.20 -0.61 0.00 0.82 0.00 0.00 66.70 65.19 1rw5 h VAL 137 Cb 1.87 0.98 -0.40 0.00 -1.52 0.00 0.00 31.29 32.22 1rw5 h VAL 137 CO -0.06 0.42 -0.72 -1.00 0.02 0.00 0.00 177.57 176.22 1rw5 s HIS 138 N -4.84 2.51 0.61 1.57 3.76 -0.29 -4.95 115.29 113.66 1rw5 s HIS 138 Ca -0.10 -2.84 0.28 0.00 -0.15 0.00 0.00 55.06 52.24 1rw5 s HIS 138 Cb 0.14 -2.05 1.43 0.00 1.11 0.00 0.00 32.58 33.20 1rw5 s HIS 138 CO 0.84 -0.69 1.83 -1.35 -0.85 0.00 0.00 174.74 174.52 1rw5 h PRO 139 N 5.87 0.00 -1.82 8.40 0.11 -1.70 -1.68 132.00 141.19 1rw5 h PRO 139 Ca 0.12 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.59 1rw5 h PRO 139 Cb 0.85 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.57 1rw5 h PRO 139 CO 0.57 0.00 -0.25 0.39 -0.21 0.00 0.00 178.00 178.50 1rw5 n GLU 140 N -3.43 3.41 -2.01 1.05 -0.58 -1.26 -5.02 120.64 112.79 1rw5 n GLU 140 Ca 0.06 -4.41 -0.42 0.00 -0.42 0.00 0.00 57.16 51.98 1rw5 n GLU 140 Cb 0.67 -2.27 -0.03 0.00 -0.57 0.00 0.00 31.44 29.24 1rw5 n GLU 140 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1rw5 s THR 141 N -5.15 3.20 -0.01 2.62 2.01 -0.63 -4.93 115.64 112.75 1rw5 s THR 141 Ca 0.48 0.66 -0.04 0.00 0.31 0.00 0.00 61.69 63.11 1rw5 s THR 141 Cb 0.37 -3.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.43 1rw5 s THR 141 CO -0.22 0.00 0.46 0.11 -0.69 0.00 0.00 174.62 174.28 1rw5 h LYS 142 N 8.06 -0.13 -2.88 4.92 1.57 -1.96 -3.47 116.57 122.68 1rw5 h LYS 142 Ca -0.41 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.21 1rw5 h LYS 142 Cb 1.20 0.03 -0.28 0.00 0.08 0.00 0.00 32.23 33.25 1rw5 h LYS 142 CO 0.92 -0.08 -0.40 -1.83 -0.57 0.00 0.00 179.45 177.48 1rw5 s GLU 143 N -2.17 0.29 0.00 3.15 -1.05 -1.26 -5.03 118.70 112.64 1rw5 s GLU 143 Ca -0.02 0.61 0.00 0.00 -0.15 0.00 0.00 54.97 55.41 1rw5 s GLU 143 Cb 0.00 -0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.64 1rw5 s GLU 143 CO 0.06 -0.15 0.83 0.27 0.95 0.00 0.00 175.26 177.22 1rw5 n ASN 144 N 4.08 0.00 -1.42 0.83 0.23 -1.26 -4.86 115.26 112.86 1rw5 n ASN 144 Ca -0.23 -1.68 0.08 0.00 -0.53 0.00 0.00 54.58 52.22 1rw5 n ASN 144 Cb 0.54 -0.14 0.33 0.00 -2.08 0.00 0.00 39.78 38.44 1rw5 n ASN 144 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1rw5 n GLU 145 N 0.00 3.73 -2.69 -3.83 0.28 -1.26 -4.46 120.64 112.40 1rw5 n GLU 145 Ca 0.00 -2.85 -0.41 0.00 -0.16 0.00 0.00 57.16 53.74 1rw5 n GLU 145 Cb 0.64 -1.89 -0.05 0.00 1.43 0.00 0.00 31.44 31.56 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 -2.12 4.17 0.23 3.84 1.01 -1.26 -4.95 121.20 122.11 1rw5 s ILE 146 Ca 0.47 1.99 -0.08 0.00 0.00 0.00 0.00 60.65 63.03 1rw5 s ILE 146 Cb 0.33 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1rw5 s ILE 146 CO 0.19 0.39 0.34 -0.72 0.00 0.00 0.00 174.94 175.14 1rw5 s TYR 147 N -0.61 0.68 0.78 3.97 -0.85 -1.26 -4.32 117.35 115.73 1rw5 s TYR 147 Ca 0.45 -0.99 -0.11 0.00 -0.52 0.00 0.00 57.07 55.90 1rw5 s TYR 147 Cb -0.26 -0.11 0.06 0.00 0.38 0.00 0.00 41.96 42.03 1rw5 s TYR 147 CO 0.32 -0.85 1.10 -2.14 -1.52 0.00 0.00 175.55 172.46 1rw5 s PRO 148 N -4.07 2.19 -0.28 -3.49 0.02 -1.26 -5.00 135.00 123.11 1rw5 s PRO 148 Ca 0.29 1.21 -0.15 0.00 0.02 0.00 0.00 61.00 62.37 1rw5 s PRO 148 Cb 0.02 -1.89 -0.03 0.00 0.02 0.00 0.00 34.50 32.62 1rw5 s PRO 148 CO 0.10 -1.70 0.38 0.08 -0.33 0.00 0.00 177.00 175.53 1rw5 s VAL 149 N -2.85 5.17 -0.02 3.83 1.01 -1.26 -4.97 120.40 121.31 1rw5 s VAL 149 Ca 0.62 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1rw5 s VAL 149 Cb -0.18 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1rw5 s VAL 149 CO 0.55 0.12 1.49 0.86 0.00 0.00 0.00 175.10 178.12 1rw5 s TRP 150 N 2.08 2.55 0.00 5.22 -0.00 -1.26 -4.82 118.94 122.71 1rw5 s TRP 150 Ca 0.15 0.59 0.05 0.00 -0.00 0.00 0.00 56.10 56.90 1rw5 s TRP 150 Cb -0.16 -3.76 0.09 0.00 -0.00 0.00 0.00 33.47 29.64 1rw5 s TRP 150 CO 0.10 -2.96 0.88 0.45 -0.00 0.00 0.00 176.95 175.43 1rw5 n SER 151 N 6.01 -0.04 -1.77 5.86 2.88 -1.26 -5.12 113.62 120.18 1rw5 n SER 151 Ca 0.15 -1.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.99 1rw5 n SER 151 Cb 0.43 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1rw5 n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rw5 n GLY 152 N 0.10 0.61 3.11 0.46 0.00 -1.26 -4.77 105.19 103.44 1rw5 n GLY 152 Ca -0.06 -1.90 -0.03 0.00 0.00 0.00 0.00 46.02 44.03 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 -6.49 -4.52 0.99 4.77 -1.26 -4.68 117.00 105.80 1rw5 n LEU 153 Ca 0.00 -0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 55.56 1rw5 n LEU 153 Cb 0.00 -3.26 -0.16 0.00 -2.33 0.00 0.00 43.42 37.68 1rw5 n LEU 153 CO 0.00 -0.90 1.82 -2.65 -1.33 0.00 0.00 177.39 174.33 1rw5 n PRO 154 N -2.03 0.25 -2.55 3.23 -0.02 -1.26 -3.76 135.00 128.87 1rw5 n PRO 154 Ca -0.02 -0.28 -0.04 0.00 -2.02 0.00 0.00 63.50 61.14 1rw5 n PRO 154 Cb 0.52 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1rw5 n PRO 154 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1rw5 n SER 155 N 11.09 -3.06 0.32 2.55 7.64 -1.26 -4.57 113.62 126.32 1rw5 n SER 155 Ca 0.59 1.48 0.20 0.00 1.01 0.00 0.00 58.87 62.14 1rw5 n SER 155 Cb 0.25 -5.06 1.06 0.00 -1.01 0.00 0.00 64.21 59.45 1rw5 n SER 155 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1rw5 h LEU 156 N 4.23 0.00 -1.90 -3.43 3.38 -1.94 -1.40 115.31 114.26 1rw5 h LEU 156 Ca -0.39 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.68 1rw5 h LEU 156 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1rw5 h LEU 156 CO 0.01 0.00 0.47 -0.61 0.09 0.00 0.00 178.44 178.40 1rw5 h GLN 157 N 0.00 0.00 -5.71 1.13 4.15 -1.93 -3.42 115.11 109.33 1rw5 h GLN 157 Ca 0.01 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.76 1rw5 h GLN 157 Cb 0.23 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 1rw5 h GLN 157 CO -0.00 0.00 1.47 -1.33 -1.93 0.00 0.00 178.83 177.04 1rw5 n MET 158 N -3.51 0.24 -0.76 1.69 2.81 -0.53 -4.79 117.12 112.27 1rw5 n MET 158 Ca 0.06 0.05 0.07 0.00 -1.81 0.00 0.00 57.70 56.08 1rw5 n MET 158 Cb 0.63 -1.76 0.36 0.00 -0.71 0.00 0.00 33.22 31.74 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rw5 n ALA 159 N 9.12 3.61 -2.61 3.04 0.00 -1.26 -4.72 120.51 127.69 1rw5 n ALA 159 Ca 0.55 -2.06 -0.42 0.00 0.00 0.00 0.00 53.44 51.50 1rw5 n ALA 159 Cb 0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.17 7.24 0.59 0.00 2.15 -1.26 -4.90 116.67 119.31 1rw5 s ASP 160 Ca 0.51 1.73 0.31 0.00 0.43 0.00 0.00 52.55 55.53 1rw5 s ASP 160 Cb 0.39 -2.57 1.83 0.00 -0.30 0.00 0.00 42.92 42.28 1rw5 s ASP 160 CO 0.14 -0.39 2.23 -0.33 -0.17 0.00 0.00 175.17 176.65 1rw5 h GLU 161 N 6.94 0.00 0.00 4.34 5.08 -2.00 -1.87 114.58 127.08 1rw5 h GLU 161 Ca -0.38 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.80 1rw5 h GLU 161 Cb 1.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1rw5 h GLU 161 CO 0.80 0.03 -1.41 0.39 -1.00 0.00 0.00 179.01 177.81 1rw5 n GLU 162 N -3.69 0.54 -0.22 2.33 1.02 -1.26 -4.24 120.64 115.12 1rw5 n GLU 162 Ca -0.03 0.34 -0.05 0.00 -0.02 0.00 0.00 57.16 57.40 1rw5 n GLU 162 Cb 0.12 -1.54 0.05 0.00 -0.02 0.00 0.00 31.44 30.05 1rw5 n GLU 162 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1rw5 h SER 163 N -1.00 0.69 -0.86 1.62 0.02 -1.97 -2.07 113.55 109.98 1rw5 h SER 163 Ca -0.26 -0.01 0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1rw5 h SER 163 Cb 1.14 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 1rw5 h SER 163 CO -0.16 0.49 0.56 -0.09 -1.14 0.00 0.00 176.83 176.49 1rw5 h ARG 164 N 0.82 0.54 -0.96 3.45 9.65 -1.58 0.15 114.38 126.44 1rw5 h ARG 164 Ca 0.24 -0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.17 1rw5 h ARG 164 Cb -0.05 -0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.34 1rw5 h ARG 164 CO -0.07 0.36 0.62 -0.07 2.80 0.00 0.00 179.97 183.60 1rw5 h LEU 165 N 0.55 0.93 -1.20 3.80 3.38 -1.55 0.27 115.31 121.50 1rw5 h LEU 165 Ca 0.43 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.49 1rw5 h LEU 165 Cb 0.85 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1rw5 h LEU 165 CO -0.18 0.56 0.56 -1.28 0.09 0.00 0.00 178.44 178.20 1rw5 h SER 166 N 1.04 0.85 -0.65 -0.43 0.87 -0.74 0.89 113.55 115.37 1rw5 h SER 166 Ca 0.43 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 61.09 1rw5 h SER 166 Cb 0.31 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1rw5 h SER 166 CO -0.19 0.54 0.30 0.00 -0.53 0.00 0.00 176.83 176.95 1rw5 h ALA 167 N 1.53 0.88 0.00 6.23 0.00 -0.38 -1.55 119.26 125.98 1rw5 h ALA 167 Ca 0.37 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 55.18 1rw5 h ALA 167 Cb 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1rw5 h ALA 167 CO -0.14 -0.10 -1.90 0.66 0.00 0.00 0.00 179.25 177.78 1rw5 n TYR 168 N -4.91 0.33 -0.24 0.00 4.01 -0.67 -3.65 117.16 112.03 1rw5 n TYR 168 Ca 0.09 0.11 -0.07 0.00 -0.16 0.00 0.00 57.90 57.87 1rw5 n TYR 168 Cb 0.26 -0.84 0.04 0.00 -0.31 0.00 0.00 39.34 38.48 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 1.08 -0.16 -0.72 3.20 0.95 0.27 116.97 121.59 1rw5 h TYR 169 Ca -0.21 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.48 1rw5 h TYR 169 Cb 1.54 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.50 1rw5 h TYR 169 CO 0.00 0.87 -0.17 -0.91 -1.64 0.00 0.00 178.16 176.31 1rw5 h ASN 170 N 0.98 0.42 0.15 -2.11 2.35 -1.45 -2.76 115.58 113.16 1rw5 h ASN 170 Ca 0.22 -0.49 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 1rw5 h ASN 170 Cb 0.30 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1rw5 h ASN 170 CO -0.01 0.83 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.46 1rw5 h LEU 171 N 0.03 -0.17 -1.10 1.61 3.38 -1.60 -2.77 115.31 114.69 1rw5 h LEU 171 Ca 0.02 -0.35 0.15 0.00 0.09 0.00 0.00 57.88 57.80 1rw5 h LEU 171 Cb 0.71 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 1rw5 h LEU 171 CO 0.04 0.40 0.61 -0.07 0.09 0.00 0.00 178.44 179.51 1rw5 h LEU 172 N -0.90 0.80 0.09 1.67 3.38 -0.60 0.59 115.31 120.35 1rw5 h LEU 172 Ca -0.02 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1rw5 h LEU 172 Cb 0.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1rw5 h LEU 172 CO 0.03 0.38 -0.04 -0.74 0.09 0.00 0.00 178.44 178.16 1rw5 h HIS 173 N 0.83 -0.12 0.00 1.13 2.76 -1.56 -2.32 115.15 115.87 1rw5 h HIS 173 Ca 0.51 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.62 1rw5 h HIS 173 Cb 0.70 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1rw5 h HIS 173 CO -0.00 0.27 -0.30 0.00 -1.30 0.00 0.00 177.93 176.60 1rw5 h LEU 175 N 0.00 0.89 0.48 0.00 6.46 0.31 0.13 115.31 123.58 1rw5 h LEU 175 Ca -0.00 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.69 1rw5 h LEU 175 Cb 0.53 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1rw5 h LEU 175 CO 0.04 0.67 -0.23 -0.09 -0.62 0.00 0.00 178.44 178.21 1rw5 h ARG 176 N 1.04 -0.62 -0.86 1.25 2.43 -0.81 -0.34 114.38 116.47 1rw5 h ARG 176 Ca 0.28 0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.62 1rw5 h ARG 176 Cb -0.08 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 29.52 1rw5 h ARG 176 CO -0.06 -0.41 0.47 0.00 -1.51 0.00 0.00 179.97 178.46 1rw5 h ARG 177 N -0.78 0.68 -0.59 0.20 3.08 -1.48 -0.59 114.38 114.89 1rw5 h ARG 177 Ca -0.07 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1rw5 h ARG 177 Cb 0.49 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1rw5 h ARG 177 CO 0.11 0.45 0.06 -0.44 -1.07 0.00 0.00 179.97 179.08 1rw5 h ASP 178 N 0.70 0.95 0.01 7.04 3.32 -0.96 -0.92 116.42 126.55 1rw5 h ASP 178 Ca 0.45 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.24 1rw5 h ASP 178 Cb 0.58 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1rw5 h ASP 178 CO -0.33 0.97 -0.10 0.77 -1.72 0.00 0.00 179.24 178.83 1rw5 h SER 179 N 0.92 0.19 -0.14 6.45 4.64 0.49 -0.48 113.55 125.62 1rw5 h SER 179 Ca 0.18 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.30 1rw5 h SER 179 Cb 0.45 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1rw5 h SER 179 CO 0.02 0.31 -0.59 -0.74 -0.87 0.00 0.00 176.83 174.96 1rw5 h HIS 180 N 0.19 0.86 -0.28 4.77 -0.00 -0.64 -1.64 115.15 118.42 1rw5 h HIS 180 Ca 0.04 -0.37 0.01 0.00 -0.00 0.00 0.00 60.37 60.05 1rw5 h HIS 180 Cb 0.30 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.55 1rw5 h HIS 180 CO 0.00 1.17 0.17 0.87 -0.00 0.00 0.00 177.93 180.14 1rw5 h LYS 181 N 0.31 0.33 -0.85 5.26 1.57 -0.46 0.88 116.57 123.62 1rw5 h LYS 181 Ca -0.03 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1rw5 h LYS 181 Cb 1.22 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 1rw5 h LYS 181 CO 0.12 0.22 0.55 0.82 -0.57 0.00 0.00 179.45 180.59 1rw5 h ILE 182 N 0.34 1.16 -0.49 1.86 2.04 -1.10 -1.07 117.51 120.25 1rw5 h ILE 182 Ca 0.11 -0.37 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 1rw5 h ILE 182 Cb -0.02 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 1rw5 h ILE 182 CO -0.04 0.20 -0.14 -0.78 0.00 0.00 0.00 178.15 177.39 1rw5 h ASP 183 N 1.09 0.93 -0.53 1.72 3.58 -0.29 -3.10 116.42 119.81 1rw5 h ASP 183 Ca 0.33 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 1rw5 h ASP 183 Cb -0.04 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.74 1rw5 h ASP 183 CO -0.10 1.06 0.26 -1.13 -2.88 0.00 0.00 179.24 176.45 1rw5 h ASN 184 N 0.82 0.70 -0.15 2.28 -0.73 0.19 -2.64 115.58 116.04 1rw5 h ASN 184 Ca 0.13 -0.13 0.02 0.00 1.87 0.00 0.00 56.30 58.19 1rw5 h ASN 184 Cb 0.68 -0.18 -0.02 0.00 0.27 0.00 0.00 38.32 39.07 1rw5 h ASN 184 CO 0.05 0.63 0.03 1.88 -0.37 0.00 0.00 177.43 179.65 1rw5 h TYR 185 N 0.72 0.05 -0.72 0.67 0.05 -1.17 -0.44 116.97 116.13 1rw5 h TYR 185 Ca 0.18 0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.03 1rw5 h TYR 185 Cb 0.12 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 1rw5 h TYR 185 CO -0.00 0.02 0.47 -0.07 -1.05 0.00 0.00 178.16 177.53 1rw5 h LEU 186 N 0.10 0.67 -0.08 3.88 3.38 -1.51 0.39 115.31 122.15 1rw5 h LEU 186 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1rw5 h LEU 186 Cb 0.06 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1rw5 h LEU 186 CO -0.09 0.44 0.03 0.50 0.09 0.00 0.00 178.44 179.41 1rw5 h LYS 187 N 0.76 0.12 -0.20 1.13 3.64 -0.87 0.14 116.57 121.29 1rw5 h LYS 187 Ca 0.31 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1rw5 h LYS 187 Cb 0.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1rw5 h LYS 187 CO -0.10 0.25 0.01 -0.07 -2.27 0.00 0.00 179.45 177.27 1rw5 h LEU 188 N -0.04 0.34 -2.00 5.20 3.38 -0.17 -2.41 115.31 119.60 1rw5 h LEU 188 Ca 0.03 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1rw5 h LEU 188 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1rw5 h LEU 188 CO -0.00 0.54 0.12 0.25 0.09 0.00 0.00 178.44 179.44 1rw5 h LEU 189 N 0.12 0.00 -0.74 1.67 5.85 -0.14 -1.67 115.31 120.41 1rw5 h LEU 189 Ca 0.06 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1rw5 h LEU 189 Cb 0.36 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 1rw5 h LEU 189 CO 0.01 0.00 0.35 0.50 -0.34 0.00 0.00 178.44 178.96 1rw5 h LYS 190 N 0.00 0.55 -1.05 1.25 3.64 -0.18 0.18 116.57 120.95 1rw5 h LYS 190 Ca 0.08 -0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.71 1rw5 h LYS 190 Cb 0.31 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1rw5 h LYS 190 CO -0.00 0.36 0.72 0.00 -2.27 0.00 0.00 179.45 178.26 1rw5 n ARG 192 N -4.42 2.88 -0.07 0.00 1.74 0.04 -3.79 116.66 113.03 1rw5 n ARG 192 Ca 0.24 -1.98 -0.15 0.00 -0.77 0.00 0.00 57.85 55.18 1rw5 n ARG 192 Cb 1.00 -1.24 -0.05 0.00 -1.02 0.00 0.00 32.46 31.14 1rw5 n ARG 192 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1rw5 n ILE 193 N 0.21 0.95 0.00 0.55 2.08 0.43 -4.97 119.36 118.61 1rw5 n ILE 193 Ca 0.10 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.25 1rw5 n ILE 193 Cb 0.42 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 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 -3.77 0.00 -3.82 1.39 5.41 -0.77 -4.95 119.36 112.86 1rw5 n ILE 194 Ca -0.28 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.11 1rw5 n ILE 194 Cb 0.66 -0.89 -0.07 0.00 -0.71 0.00 0.00 39.64 38.63 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 -1.92 3.50 0.16 1.39 3.76 -1.04 -5.00 115.29 116.15 1rw5 s HIS 195 Ca 0.00 0.43 -0.15 0.00 -0.15 0.00 0.00 55.06 55.19 1rw5 s HIS 195 Cb 0.00 -2.04 0.04 0.00 1.11 0.00 0.00 32.58 31.69 1rw5 s HIS 195 CO 0.00 0.53 1.83 -0.97 -0.85 0.00 0.00 174.74 175.27 1rw5 h ASN 196 N 5.76 0.52 -2.05 1.40 -1.24 -1.82 -3.27 115.58 114.88 1rw5 h ASN 196 Ca -0.48 -0.01 -0.56 0.00 0.71 0.00 0.00 56.30 55.95 1rw5 h ASN 196 Cb 1.19 -0.13 -0.40 0.00 0.73 0.00 0.00 38.32 39.71 1rw5 h ASN 196 CO 0.66 0.38 -0.98 0.59 -1.29 0.00 0.00 177.43 176.79 1rw5 n ASN 197 N -4.77 1.24 -2.77 1.15 3.02 -1.26 -4.57 115.26 107.30 1rw5 n ASN 197 Ca 0.02 -2.94 -0.27 0.00 -0.03 0.00 0.00 54.58 51.36 1rw5 n ASN 197 Cb 0.02 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 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 1.09 4.59 0.00 6.41 2.85 -1.26 -5.02 115.26 123.92 1rw5 n ASN 198 Ca 0.24 -3.70 0.00 0.00 -0.11 0.00 0.00 54.58 51.01 1rw5 n ASN 198 Cb 0.51 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 41.01 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15