#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 2.30 -0.12 1.96 0.04 -1.26 -5.02 135.00 132.90 1rw5 s PRO 2 Ca 0.00 1.83 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 1rw5 s PRO 2 Cb 0.00 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1rw5 s PRO 2 CO 0.00 -1.73 -0.10 0.42 0.04 0.00 0.00 177.00 175.63 1rw5 s ILE 3 N -1.82 3.33 -0.89 0.56 1.09 -1.26 -4.71 121.20 117.50 1rw5 s ILE 3 Ca 0.76 -0.57 -0.06 0.00 -1.10 0.00 0.00 60.65 59.68 1rw5 s ILE 3 Cb -0.31 -2.40 -0.01 0.00 -1.06 0.00 0.00 42.46 38.68 1rw5 s ILE 3 CO 0.43 0.53 0.74 0.00 -0.10 0.00 0.00 174.94 176.53 1rw5 n PRO 5 N -2.70 1.57 0.00 0.00 -0.02 -1.26 -4.46 135.00 128.12 1rw5 n PRO 5 Ca -0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1rw5 n PRO 5 Cb 0.58 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.06 3.52 2.69 -1.23 0.00 -1.26 -4.21 105.19 105.75 1rw5 n GLY 6 Ca 0.08 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.78 -0.17 -0.02 0.00 -1.26 -5.13 107.32 99.95 1rw5 s GLY 7 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 44.72 43.80 1rw5 s GLY 7 CO 0.00 3.36 0.17 0.00 0.00 0.00 0.00 173.10 176.63 1rw5 s ALA 8 N 0.71 3.70 0.42 3.20 0.00 -1.26 -4.96 121.76 123.58 1rw5 s ALA 8 Ca 0.31 -0.62 0.10 0.00 0.00 0.00 0.00 51.96 51.74 1rw5 s ALA 8 Cb 0.01 -2.19 0.94 0.00 0.00 0.00 0.00 23.12 21.88 1rw5 s ALA 8 CO -0.08 0.22 2.03 0.00 0.00 0.00 0.00 175.76 177.94 1rw5 h ALA 9 N 6.36 1.84 -0.71 0.00 0.00 -2.00 -0.07 119.26 124.68 1rw5 h ALA 9 Ca -0.43 -0.02 -0.45 0.00 0.00 0.00 0.00 54.91 54.01 1rw5 h ALA 9 Cb 1.17 -0.13 -0.26 0.00 0.00 0.00 0.00 17.79 18.57 1rw5 h ALA 9 CO 0.73 0.10 0.13 2.89 0.00 0.00 0.00 179.25 183.10 1rw5 n ARG 10 N -4.48 2.50 -1.02 0.00 1.85 -1.26 -5.04 116.66 109.22 1rw5 n ARG 10 Ca 0.06 -3.40 -0.34 0.00 -1.00 0.00 0.00 57.85 53.16 1rw5 n ARG 10 Cb 0.18 -2.10 0.10 0.00 -1.05 0.00 0.00 32.46 29.59 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 -3.34 4.51 0.16 0.00 -0.21 -1.26 -4.96 119.66 114.57 1rw5 s GLN 12 Ca 0.62 1.82 0.06 0.00 0.02 0.00 0.00 55.36 57.88 1rw5 s GLN 12 Cb -0.27 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 1rw5 s GLN 12 CO 0.62 -0.07 -0.12 0.14 -2.12 0.00 0.00 175.29 173.74 1rw5 s VAL 13 N 0.04 1.41 0.19 1.09 -7.23 -1.26 -3.55 120.40 111.09 1rw5 s VAL 13 Ca 0.53 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.34 1rw5 s VAL 13 Cb -0.31 -1.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.68 1rw5 s VAL 13 CO 0.35 -0.63 1.09 -0.89 -0.31 0.00 0.00 175.10 174.71 1rw5 s THR 14 N -2.99 3.86 0.29 5.32 2.01 -1.26 -4.92 115.64 117.95 1rw5 s THR 14 Ca 0.17 1.64 -0.02 0.00 0.31 0.00 0.00 61.69 63.79 1rw5 s THR 14 Cb 0.00 -4.04 0.20 0.00 0.01 0.00 0.00 72.50 68.67 1rw5 s THR 14 CO 0.03 0.30 1.89 -0.07 -0.69 0.00 0.00 174.62 176.08 1rw5 h LEU 15 N 4.96 0.85 -0.04 4.42 3.38 -1.99 -2.88 115.31 124.01 1rw5 h LEU 15 Ca -0.45 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.21 1rw5 h LEU 15 Cb 1.21 -0.22 0.02 0.00 0.09 0.00 0.00 40.66 41.76 1rw5 h LEU 15 CO 0.72 0.72 -0.86 0.03 0.09 0.00 0.00 178.44 179.14 1rw5 h ARG 16 N 0.94 0.65 0.34 1.13 3.08 -1.91 -3.12 114.38 115.49 1rw5 h ARG 16 Ca 0.23 -0.65 -0.01 0.00 0.07 0.00 0.00 59.98 59.62 1rw5 h ARG 16 Cb 0.10 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1rw5 h ARG 16 CO -0.03 1.25 -0.30 0.22 -1.07 0.00 0.00 179.97 180.04 1rw5 h ASP 17 N 0.30 -0.82 -0.96 7.04 3.58 -1.90 0.72 116.42 124.38 1rw5 h ASP 17 Ca -0.10 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.42 1rw5 h ASP 17 Cb 1.52 0.26 -0.05 0.00 1.72 0.00 0.00 39.33 42.79 1rw5 h ASP 17 CO 0.17 -0.41 0.62 -0.07 -2.88 0.00 0.00 179.24 176.68 1rw5 h LEU 18 N -0.63 1.12 -0.24 2.28 3.38 -1.70 -1.08 115.31 118.44 1rw5 h LEU 18 Ca -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1rw5 h LEU 18 Cb 0.53 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1rw5 h LEU 18 CO -0.02 0.82 0.07 0.15 0.09 0.00 0.00 178.44 179.55 1rw5 h PHE 19 N 1.31 0.40 -1.00 1.13 3.57 -1.45 0.21 116.94 121.10 1rw5 h PHE 19 Ca 0.35 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.85 1rw5 h PHE 19 Cb -0.13 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.44 1rw5 h PHE 19 CO -0.00 0.46 0.65 0.22 -2.23 0.00 0.00 178.31 177.42 1rw5 h ASP 20 N 0.22 1.09 -0.39 0.41 3.58 0.90 0.26 116.42 122.49 1rw5 h ASP 20 Ca 0.08 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 57.36 1rw5 h ASP 20 Cb 0.26 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1rw5 h ASP 20 CO -0.00 0.74 -0.38 0.03 -2.88 0.00 0.00 179.24 176.75 1rw5 h ARG 21 N 1.26 0.95 -0.24 0.28 2.47 -0.89 -2.43 114.38 115.78 1rw5 h ARG 21 Ca 0.40 -0.50 -0.08 0.00 -1.26 0.00 0.00 59.98 58.54 1rw5 h ARG 21 Cb 0.01 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1rw5 h ARG 21 CO -0.13 1.16 -0.20 0.00 0.56 0.00 0.00 179.97 181.36 1rw5 h ALA 22 N 0.78 1.21 -0.26 0.04 0.00 0.41 0.42 119.26 121.85 1rw5 h ALA 22 Ca 0.06 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 1rw5 h ALA 22 Cb 0.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1rw5 h ALA 22 CO 0.10 0.51 -0.20 0.28 0.00 0.00 0.00 179.25 179.94 1rw5 h VAL 23 N 0.39 1.31 -0.03 0.00 2.07 -0.37 -2.62 116.25 117.00 1rw5 h VAL 23 Ca 0.07 -1.33 -0.22 0.00 0.82 0.00 0.00 66.70 66.03 1rw5 h VAL 23 Cb 0.58 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1rw5 h VAL 23 CO 0.04 0.42 -0.90 0.58 0.02 0.00 0.00 177.57 177.73 1rw5 h VAL 24 N 0.33 1.37 -0.47 2.57 2.07 -1.26 -3.15 116.25 117.70 1rw5 h VAL 24 Ca 0.05 -2.33 0.05 0.00 0.82 0.00 0.00 66.70 65.29 1rw5 h VAL 24 Cb 0.74 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 1rw5 h VAL 24 CO 0.05 0.70 0.32 0.25 0.02 0.00 0.00 177.57 178.91 1rw5 h LEU 25 N 0.28 0.39 -1.53 2.57 5.85 -0.13 -0.76 115.31 121.99 1rw5 h LEU 25 Ca -0.07 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1rw5 h LEU 25 Cb 1.53 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 1rw5 h LEU 25 CO 0.16 0.26 -0.24 0.77 -0.34 0.00 0.00 178.44 179.05 1rw5 h SER 26 N 0.45 0.00 0.36 1.25 4.64 -1.42 -2.45 113.55 116.38 1rw5 h SER 26 Ca 0.20 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.35 1rw5 h SER 26 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 1rw5 h SER 26 CO -0.05 0.24 -0.73 -0.74 -0.87 0.00 0.00 176.83 174.69 1rw5 h HIS 27 N 0.00 0.42 -0.38 4.77 -0.00 -1.23 -3.10 115.15 115.62 1rw5 h HIS 27 Ca -0.00 -0.19 0.03 0.00 -0.00 0.00 0.00 60.37 60.21 1rw5 h HIS 27 Cb 0.45 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.76 1rw5 h HIS 27 CO 0.00 0.93 0.18 -0.92 -0.00 0.00 0.00 177.93 178.12 1rw5 h TYR 28 N 0.21 0.33 -0.13 5.26 3.20 -1.30 0.13 116.97 124.66 1rw5 h TYR 28 Ca -0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1rw5 h TYR 28 Cb 1.29 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1rw5 h TYR 28 CO 0.03 0.16 0.08 0.82 -1.64 0.00 0.00 178.16 177.62 1rw5 h ILE 29 N 0.37 1.04 -0.34 1.81 2.04 -1.53 -0.90 117.51 120.00 1rw5 h ILE 29 Ca 0.17 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1rw5 h ILE 29 Cb 0.09 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1rw5 h ILE 29 CO -0.13 0.04 0.20 -0.74 0.00 0.00 0.00 178.15 177.52 1rw5 h HIS 30 N 0.18 0.45 -0.58 1.37 2.76 -0.91 0.27 115.15 118.69 1rw5 h HIS 30 Ca 0.05 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1rw5 h HIS 30 Cb -0.01 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1rw5 h HIS 30 CO 0.00 0.34 0.18 -0.91 -1.30 0.00 0.00 177.93 176.24 1rw5 h ASN 31 N 0.44 0.85 0.01 3.26 -0.26 -0.65 0.19 115.58 119.42 1rw5 h ASN 31 Ca 0.12 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1rw5 h ASN 31 Cb 0.02 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.06 1rw5 h ASN 31 CO -0.02 0.84 -0.02 -0.07 -1.06 0.00 0.00 177.43 177.10 1rw5 h LEU 32 N 0.83 -0.04 -1.24 1.61 3.38 -0.61 0.15 115.31 119.38 1rw5 h LEU 32 Ca 0.19 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1rw5 h LEU 32 Cb 0.29 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1rw5 h LEU 32 CO -0.01 -0.03 0.03 0.28 0.09 0.00 0.00 178.44 178.81 1rw5 h SER 33 N -0.03 0.51 0.33 -0.43 0.02 -0.25 0.12 113.55 113.81 1rw5 h SER 33 Ca 0.00 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1rw5 h SER 33 Cb 0.04 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1rw5 h SER 33 CO -0.01 0.56 -0.16 -1.28 -1.14 0.00 0.00 176.83 174.80 1rw5 h SER 34 N 0.53 -0.38 -0.41 3.07 0.87 0.07 -2.22 113.55 115.08 1rw5 h SER 34 Ca 0.12 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1rw5 h SER 34 Cb 0.30 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1rw5 h SER 34 CO 0.01 -0.09 0.06 -0.33 -0.53 0.00 0.00 176.83 175.95 1rw5 h GLU 35 N -0.80 0.68 -0.41 2.24 5.08 -0.78 0.15 114.58 120.74 1rw5 h GLU 35 Ca -0.05 -0.18 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1rw5 h GLU 35 Cb 0.34 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1rw5 h GLU 35 CO 0.07 0.73 0.17 1.98 -1.00 0.00 0.00 179.01 180.96 1rw5 h MET 36 N 0.53 0.34 -0.39 2.33 4.05 -0.90 0.16 114.93 121.06 1rw5 h MET 36 Ca 0.12 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1rw5 h MET 36 Cb 0.38 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1rw5 h MET 36 CO 0.01 0.23 -0.00 0.35 0.23 0.00 0.00 176.91 177.72 1rw5 h PHE 37 N 0.35 0.74 -0.69 1.39 3.57 -1.23 -2.75 116.94 118.33 1rw5 h PHE 37 Ca 0.18 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1rw5 h PHE 37 Cb 0.14 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1rw5 h PHE 37 CO -0.13 0.77 0.42 1.03 -2.23 0.00 0.00 178.31 178.17 1rw5 h SER 38 N 0.51 0.68 -0.93 0.41 0.87 0.02 0.26 113.55 115.37 1rw5 h SER 38 Ca 0.11 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1rw5 h SER 38 Cb 0.47 -0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 62.24 1rw5 h SER 38 CO 0.02 0.46 0.61 -0.33 -0.53 0.00 0.00 176.83 177.06 1rw5 h GLU 39 N 0.81 1.15 -0.11 2.24 5.08 -0.55 -1.74 114.58 121.46 1rw5 h GLU 39 Ca 0.29 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1rw5 h GLU 39 Cb 0.07 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 1rw5 h GLU 39 CO -0.13 0.76 -0.02 0.35 -1.00 0.00 0.00 179.01 178.97 1rw5 h PHE 40 N 1.18 0.23 -1.01 4.33 3.57 -0.95 -2.01 116.94 122.28 1rw5 h PHE 40 Ca 0.37 -0.05 0.24 0.00 3.53 0.00 0.00 57.97 62.06 1rw5 h PHE 40 Cb -0.02 -0.06 -0.11 0.00 2.79 0.00 0.00 35.95 38.56 1rw5 h PHE 40 CO -0.01 0.50 0.63 0.22 -2.23 0.00 0.00 178.31 177.42 1rw5 h ASP 41 N -0.10 0.59 1.09 0.41 1.82 0.20 0.61 116.42 121.03 1rw5 h ASP 41 Ca 0.03 0.10 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 1rw5 h ASP 41 Cb 0.42 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.43 1rw5 h ASP 41 CO 0.01 0.13 -0.93 0.11 -1.61 0.00 0.00 179.24 176.96 1rw5 h LYS 42 N 0.53 0.00 0.11 0.28 1.79 -1.22 0.85 116.57 118.91 1rw5 h LYS 42 Ca 0.60 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.75 1rw5 h LYS 42 Cb 1.28 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1rw5 h LYS 42 CO -0.37 0.05 -1.69 0.00 -1.08 0.00 0.00 179.45 176.37 1rw5 h ARG 43 N 0.00 0.24 0.00 3.15 3.08 -0.29 -3.36 114.38 117.20 1rw5 h ARG 43 Ca -0.02 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1rw5 h ARG 43 Cb 1.08 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1rw5 h ARG 43 CO 0.01 1.08 -0.85 0.66 -1.07 0.00 0.00 179.97 179.80 1rw5 n TYR 44 N -3.42 0.00 -1.38 3.04 4.02 0.03 -4.74 117.16 114.71 1rw5 n TYR 44 Ca -0.21 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.74 1rw5 n TYR 44 Cb 1.05 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 40.56 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 -1.32 2.19 -1.56 -0.72 -2.24 -0.80 -4.85 114.28 104.98 1rw5 n THR 45 Ca 0.00 -2.78 -0.13 0.00 -2.27 0.00 0.00 64.05 58.87 1rw5 n THR 45 Cb 0.00 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.17 1.12 -2.67 4.78 -0.00 0.23 -2.39 115.22 115.12 1rw5 n HIS 46 Ca 0.21 -0.04 -0.13 0.00 -0.00 0.00 0.00 57.72 57.75 1rw5 n HIS 46 Cb 0.75 -2.61 0.02 0.00 -0.00 0.00 0.00 29.99 28.15 1rw5 n HIS 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1rw5 n GLY 47 N 6.70 -0.06 0.36 1.57 0.00 -1.26 -4.90 105.19 107.61 1rw5 n GLY 47 Ca 0.46 -0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.76 1.08 0.00 1.61 9.65 -1.80 -3.47 114.38 120.70 1rw5 h ARG 48 Ca -0.32 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1rw5 h ARG 48 Cb 1.22 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.56 1rw5 h ARG 48 CO 0.35 0.72 0.00 0.41 2.80 0.00 0.00 179.97 184.24 1rw5 n GLY 49 N -1.35 3.22 0.15 2.80 0.00 -1.26 -4.82 105.19 103.92 1rw5 n GLY 49 Ca 0.15 -0.89 0.02 0.00 0.00 0.00 0.00 46.02 45.30 1rw5 n GLY 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1rw5 h PHE 50 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -2.86 116.94 113.71 1rw5 h PHE 50 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1rw5 h PHE 50 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1rw5 h PHE 50 CO 0.00 0.53 -0.02 -0.84 -0.00 0.00 0.00 178.31 177.98 1rw5 h ILE 51 N 0.00 0.06 0.00 0.88 3.07 -1.94 -2.66 117.51 116.92 1rw5 h ILE 51 Ca -0.01 -0.46 -0.00 0.00 1.55 0.00 0.00 64.86 65.94 1rw5 h ILE 51 Cb 1.07 1.43 -0.00 0.00 -0.27 0.00 0.00 36.82 39.05 1rw5 h ILE 51 CO 0.07 0.02 -0.00 0.71 -1.05 0.00 0.00 178.15 177.89 1rw5 h THR 52 N 0.00 0.08 -2.77 0.16 1.35 -1.91 -3.43 112.91 106.40 1rw5 h THR 52 Ca -0.00 -0.06 -0.52 0.00 -0.55 0.00 0.00 66.41 65.28 1rw5 h THR 52 Cb 0.43 1.05 0.05 0.00 -1.73 0.00 0.00 68.15 67.95 1rw5 h THR 52 CO 0.00 0.00 0.95 -0.75 -0.25 0.00 0.00 175.52 175.47 1rw5 s LYS 53 N -4.17 4.16 -0.87 4.72 2.47 -1.01 -4.83 119.74 120.22 1rw5 s LYS 53 Ca -0.04 2.50 -0.25 0.00 -1.56 0.00 0.00 55.97 56.61 1rw5 s LYS 53 Cb 0.13 -3.11 -0.09 0.00 -1.46 0.00 0.00 37.83 33.31 1rw5 s LYS 53 CO 0.44 -0.68 2.13 0.00 0.16 0.00 0.00 175.35 177.39 1rw5 s ALA 54 N 1.11 1.27 -0.19 3.13 0.00 -1.26 -4.89 121.76 120.92 1rw5 s ALA 54 Ca 0.72 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 1rw5 s ALA 54 Cb -0.47 -4.57 -0.02 0.00 0.00 0.00 0.00 23.12 18.06 1rw5 s ALA 54 CO 0.32 -5.29 -0.05 0.42 0.00 0.00 0.00 175.76 171.16 1rw5 s ILE 55 N 12.05 3.52 -0.07 0.00 -1.09 -1.26 -4.95 121.20 129.39 1rw5 s ILE 55 Ca 0.79 -0.46 0.17 0.00 -2.23 0.00 0.00 60.65 58.92 1rw5 s ILE 55 Cb -0.09 -2.57 0.36 0.00 -1.58 0.00 0.00 42.46 38.58 1rw5 s ILE 55 CO 0.03 0.45 1.16 0.59 -1.23 0.00 0.00 174.94 175.95 1rw5 n ASN 56 N 4.26 1.20 -4.59 3.58 3.02 -1.26 -4.95 115.26 116.52 1rw5 n ASN 56 Ca -0.18 -2.67 -0.41 0.00 -0.03 0.00 0.00 54.58 51.29 1rw5 n ASN 56 Cb 0.52 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.29 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1rw5 s SER 57 N -2.32 5.37 0.13 6.41 0.01 -1.26 -4.94 113.70 117.10 1rw5 s SER 57 Ca 0.31 1.41 0.08 0.00 1.31 0.00 0.00 55.95 59.06 1rw5 s SER 57 Cb 0.32 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1rw5 s SER 57 CO -0.10 -2.10 -0.20 0.00 0.41 0.00 0.00 173.24 171.25 1rw5 h HIS 59 N 3.66 0.90 0.00 0.00 3.86 -1.92 -3.08 115.15 118.58 1rw5 h HIS 59 Ca -0.44 -0.40 -0.00 0.00 -1.16 0.00 0.00 60.37 58.36 1rw5 h HIS 59 Cb 1.19 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.53 1rw5 h HIS 59 CO 0.65 1.21 -0.02 1.79 0.86 0.00 0.00 177.93 182.42 1rw5 h THR 60 N 0.34 0.06 -0.14 2.45 1.35 -1.96 -2.54 112.91 112.46 1rw5 h THR 60 Ca -0.05 -0.43 0.04 0.00 -0.55 0.00 0.00 66.41 65.43 1rw5 h THR 60 Cb 1.30 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 1rw5 h THR 60 CO 0.14 0.02 0.21 0.77 -0.25 0.00 0.00 175.52 176.40 1rw5 h SER 61 N 0.00 0.00 -0.11 5.36 4.64 -1.93 0.20 113.55 121.72 1rw5 h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rw5 h SER 61 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1rw5 h SER 61 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1rw5 n SER 62 N -3.57 0.69 -2.97 4.97 7.64 -0.96 -4.87 113.62 114.55 1rw5 n SER 62 Ca 0.01 -1.87 -0.14 0.00 1.01 0.00 0.00 58.87 57.88 1rw5 n SER 62 Cb 0.32 -0.07 0.11 0.00 -1.01 0.00 0.00 64.21 63.55 1rw5 n SER 62 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rw5 n LEU 63 N -0.18 0.00 -2.11 -3.43 7.99 0.72 -4.92 117.00 115.06 1rw5 n LEU 63 Ca 0.07 -0.64 -0.22 0.00 -0.01 0.00 0.00 56.01 55.21 1rw5 n LEU 63 Cb 0.13 -0.49 0.16 0.00 -0.11 0.00 0.00 43.42 43.10 1rw5 n LEU 63 CO 0.05 -1.25 1.21 0.00 -1.51 0.00 0.00 177.39 175.90 1rw5 n ALA 64 N -3.65 5.31 -1.17 -1.18 0.00 -1.26 -4.99 120.51 113.56 1rw5 n ALA 64 Ca -0.10 -2.61 -0.35 0.00 0.00 0.00 0.00 53.44 50.37 1rw5 n ALA 64 Cb 0.28 -1.41 0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.98 1.78 -1.71 0.00 -2.24 -1.26 -4.83 114.28 105.04 1rw5 n THR 65 Ca 0.54 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.59 1rw5 n THR 65 Cb 1.56 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1rw5 n THR 65 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1rw5 s PRO 66 N -3.37 4.09 0.26 -0.78 0.04 -1.26 -4.88 135.00 129.10 1rw5 s PRO 66 Ca 0.68 2.52 -0.01 0.00 0.04 0.00 0.00 61.00 64.24 1rw5 s PRO 66 Cb -0.31 -4.15 0.35 0.00 0.04 0.00 0.00 34.50 30.43 1rw5 s PRO 66 CO 0.56 -1.01 1.74 1.49 0.04 0.00 0.00 177.00 179.81 1rw5 h GLU 67 N 10.73 0.67 -3.53 4.56 4.81 -1.93 -3.46 114.58 126.43 1rw5 h GLU 67 Ca -0.48 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.46 1rw5 h GLU 67 Cb 1.23 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 1rw5 h GLU 67 CO 0.94 0.77 -0.01 0.16 -0.73 0.00 0.00 179.01 180.15 1rw5 s ASP 68 N -6.72 0.14 0.39 1.04 1.47 -1.26 -5.02 116.67 106.70 1rw5 s ASP 68 Ca -0.08 -1.06 0.07 0.00 1.18 0.00 0.00 52.55 52.66 1rw5 s ASP 68 Cb 0.14 0.68 0.79 0.00 -0.34 0.00 0.00 42.92 44.19 1rw5 s ASP 68 CO 0.80 -1.32 1.99 0.07 0.68 0.00 0.00 175.17 177.39 1rw5 h LYS 69 N 2.13 0.47 -0.51 2.11 2.10 -2.00 -2.02 116.57 118.85 1rw5 h LYS 69 Ca -0.27 -0.06 -0.08 0.00 -2.00 0.00 0.00 60.65 58.24 1rw5 h LYS 69 Cb 1.25 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 1rw5 h LYS 69 CO 0.35 0.40 -0.01 0.93 -2.00 0.00 0.00 179.45 179.13 1rw5 h GLU 70 N 0.47 0.90 -0.22 0.07 5.08 -2.00 -2.68 114.58 116.21 1rw5 h GLU 70 Ca 0.12 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1rw5 h GLU 70 Cb 0.11 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1rw5 h GLU 70 CO -0.01 0.94 -0.19 0.37 -1.00 0.00 0.00 179.01 179.11 1rw5 h GLN 71 N 0.77 0.39 -0.85 2.33 4.15 -1.83 -2.59 115.11 117.47 1rw5 h GLN 71 Ca 0.14 -0.12 0.09 0.00 0.77 0.00 0.00 58.65 59.53 1rw5 h GLN 71 Cb 0.53 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 1rw5 h GLN 71 CO 0.03 0.57 0.50 0.00 -1.93 0.00 0.00 178.83 178.00 1rw5 h ALA 72 N 1.45 1.22 -0.82 3.38 0.00 -1.03 0.45 119.26 123.90 1rw5 h ALA 72 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1rw5 h ALA 72 Cb 0.54 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1rw5 h ALA 72 CO 0.04 0.15 0.47 0.37 0.00 0.00 0.00 179.25 180.27 1rw5 h GLN 73 N 0.85 1.14 -0.12 0.00 4.15 -1.40 -0.48 115.11 119.26 1rw5 h GLN 73 Ca 0.41 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.66 1rw5 h GLN 73 Cb 0.34 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1rw5 h GLN 73 CO -0.23 0.82 -0.12 1.96 -1.93 0.00 0.00 178.83 179.33 1rw5 h GLN 74 N 1.14 0.18 -7.06 1.69 4.20 -0.42 -3.43 115.11 111.41 1rw5 h GLN 74 Ca 0.29 -0.04 -0.49 0.00 0.06 0.00 0.00 58.65 58.48 1rw5 h GLN 74 Cb 0.01 -0.03 0.05 0.00 0.30 0.00 0.00 27.48 27.80 1rw5 h GLN 74 CO -0.05 0.31 0.42 -1.64 -0.67 0.00 0.00 178.83 177.20 1rw5 s MET 75 N -4.76 3.68 0.38 1.46 -1.94 0.12 -5.01 119.30 113.23 1rw5 s MET 75 Ca -0.05 1.52 -0.23 0.00 -1.71 0.00 0.00 55.69 55.22 1rw5 s MET 75 Cb 0.16 -2.15 -0.10 0.00 2.01 0.00 0.00 34.83 34.74 1rw5 s MET 75 CO 0.72 -0.56 0.95 1.21 -0.01 0.00 0.00 175.02 177.33 1rw5 s ASN 76 N -1.78 7.12 0.27 3.03 3.84 -1.26 -4.94 114.94 121.22 1rw5 s ASN 76 Ca 0.68 1.77 0.00 0.00 0.21 0.00 0.00 52.86 55.52 1rw5 s ASN 76 Cb -0.21 -2.56 0.52 0.00 -0.55 0.00 0.00 41.25 38.45 1rw5 s ASN 76 CO 0.25 -0.23 1.83 -0.61 -2.79 0.00 0.00 177.10 175.55 1rw5 h GLN 77 N 2.50 0.91 -0.36 0.43 4.15 -1.93 0.55 115.11 121.37 1rw5 h GLN 77 Ca -0.48 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 58.86 1rw5 h GLN 77 Cb 1.19 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 28.65 1rw5 h GLN 77 CO 0.63 0.60 0.09 0.87 -1.93 0.00 0.00 178.83 179.10 1rw5 h LYS 78 N 0.94 0.52 -0.83 1.69 1.57 -1.97 -2.52 116.57 115.98 1rw5 h LYS 78 Ca 0.48 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.26 1rw5 h LYS 78 Cb 0.47 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.62 1rw5 h LYS 78 CO -0.27 0.48 0.48 -0.44 -0.57 0.00 0.00 179.45 179.13 1rw5 h ASP 79 N 0.52 0.70 -0.40 0.86 3.32 -1.25 -0.61 116.42 119.55 1rw5 h ASP 79 Ca 0.12 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1rw5 h ASP 79 Cb 0.19 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1rw5 h ASP 79 CO -0.00 0.41 0.20 -0.26 -1.72 0.00 0.00 179.24 177.87 1rw5 h PHE 80 N 0.82 0.37 -0.92 4.55 -1.00 -1.41 0.13 116.94 119.48 1rw5 h PHE 80 Ca 0.39 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.18 1rw5 h PHE 80 Cb 0.32 -0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 1rw5 h PHE 80 CO -0.06 0.19 0.54 -0.07 -1.61 0.00 0.00 178.31 177.31 1rw5 h LEU 81 N 0.41 1.12 -0.85 1.54 4.07 -1.27 -2.14 115.31 118.20 1rw5 h LEU 81 Ca 0.17 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.94 1rw5 h LEU 81 Cb 0.08 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1rw5 h LEU 81 CO -0.12 0.87 -0.39 0.77 -1.08 0.00 0.00 178.44 178.49 1rw5 h SER 82 N 1.27 0.41 -0.68 -0.43 4.64 -0.27 -3.02 113.55 115.46 1rw5 h SER 82 Ca 0.33 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1rw5 h SER 82 Cb -0.03 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 1rw5 h SER 82 CO -0.06 0.76 0.18 -0.07 -0.87 0.00 0.00 176.83 176.77 1rw5 h LEU 83 N 0.33 1.03 -0.44 5.97 3.38 -0.12 -2.53 115.31 122.93 1rw5 h LEU 83 Ca 0.03 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1rw5 h LEU 83 Cb 0.83 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1rw5 h LEU 83 CO 0.07 0.98 0.24 0.40 0.09 0.00 0.00 178.44 180.22 1rw5 h ILE 84 N 1.05 1.00 -0.61 1.22 2.04 -1.34 -0.81 117.51 120.06 1rw5 h ILE 84 Ca 0.22 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.94 1rw5 h ILE 84 Cb 0.35 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1rw5 h ILE 84 CO -0.00 0.09 0.38 0.58 0.00 0.00 0.00 178.15 179.20 1rw5 h VAL 85 N 0.47 1.09 -0.42 1.67 2.07 -1.48 -0.99 116.25 118.67 1rw5 h VAL 85 Ca 0.18 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1rw5 h VAL 85 Cb 0.06 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1rw5 h VAL 85 CO -0.11 0.14 0.12 0.28 0.02 0.00 0.00 177.57 178.01 1rw5 h SER 86 N 0.76 0.62 0.50 0.57 0.02 -1.00 -1.85 113.55 113.17 1rw5 h SER 86 Ca 0.24 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1rw5 h SER 86 Cb -0.01 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1rw5 h SER 86 CO -0.09 0.67 -0.24 0.40 -1.14 0.00 0.00 176.83 176.44 1rw5 h ILE 87 N 0.53 0.34 -0.84 3.27 2.04 -0.84 -2.23 117.51 119.78 1rw5 h ILE 87 Ca 0.13 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1rw5 h ILE 87 Cb 0.29 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1rw5 h ILE 87 CO -0.00 0.05 0.49 -0.07 0.00 0.00 0.00 178.15 178.62 1rw5 h LEU 88 N -1.01 1.03 -0.72 1.44 3.38 -1.26 -2.82 115.31 115.36 1rw5 h LEU 88 Ca -0.07 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1rw5 h LEU 88 Cb 0.60 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rw5 h LEU 88 CO 0.11 0.81 -0.42 0.03 0.09 0.00 0.00 178.44 179.06 1rw5 h ARG 89 N 1.16 0.49 -0.03 1.13 3.08 -1.41 -2.95 114.38 115.85 1rw5 h ARG 89 Ca 0.30 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1rw5 h ARG 89 Cb -0.02 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1rw5 h ARG 89 CO -0.05 0.82 -0.06 0.66 -1.07 0.00 0.00 179.97 180.27 1rw5 h SER 90 N 0.41 0.04 0.65 7.04 4.64 -1.14 -1.97 113.55 123.22 1rw5 h SER 90 Ca 0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1rw5 h SER 90 Cb 0.90 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1rw5 h SER 90 CO 0.08 0.11 -0.36 0.79 -0.87 0.00 0.00 176.83 176.58 1rw5 n TRP 91 N -4.44 0.01 -0.30 4.77 7.02 -1.12 -4.01 117.44 119.36 1rw5 n TRP 91 Ca -0.02 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.42 1rw5 n TRP 91 Cb 0.16 -0.33 0.07 0.00 -2.42 0.00 0.00 31.31 28.79 1rw5 n TRP 91 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 1rw5 h ASN 92 N 0.00 0.98 0.33 -0.99 -1.24 -1.29 -2.47 115.58 110.90 1rw5 h ASN 92 Ca 0.00 -0.07 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 1rw5 h ASN 92 Cb 0.50 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.31 1rw5 h ASN 92 CO 0.00 0.76 -0.16 -0.08 -1.29 0.00 0.00 177.43 176.66 1rw5 h GLU 93 N 1.12 -0.43 -0.92 6.67 4.81 -1.72 -3.09 114.58 121.02 1rw5 h GLU 93 Ca 0.29 0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.78 1rw5 h GLU 93 Cb -0.04 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 29.31 1rw5 h GLU 93 CO -0.05 -0.14 0.44 -1.35 -0.73 0.00 0.00 179.01 177.17 1rw5 h PRO 94 N -1.01 0.41 -0.40 0.92 0.11 -1.73 0.28 132.00 130.59 1rw5 h PRO 94 Ca -0.05 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 1rw5 h PRO 94 Cb 0.49 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1rw5 h PRO 94 CO 0.07 0.27 0.01 -0.07 -0.21 0.00 0.00 178.00 178.07 1rw5 h LEU 95 N 0.42 0.60 0.61 2.35 3.38 -1.51 0.40 115.31 121.55 1rw5 h LEU 95 Ca 0.59 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 1rw5 h LEU 95 Cb 1.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1rw5 h LEU 95 CO -0.53 0.66 -0.47 0.22 0.09 0.00 0.00 178.44 178.42 1rw5 h TYR 96 N 0.60 -1.27 -0.58 1.13 3.20 -0.35 0.45 116.97 120.16 1rw5 h TYR 96 Ca 0.12 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1rw5 h TYR 96 Cb 0.37 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 1rw5 h TYR 96 CO 0.02 -0.66 0.19 0.45 -1.64 0.00 0.00 178.16 176.52 1rw5 h HIS 97 N -1.04 0.92 -0.83 -3.82 3.86 -1.46 -0.96 115.15 111.82 1rw5 h HIS 97 Ca -0.08 -0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1rw5 h HIS 97 Cb 0.86 -0.27 -0.07 0.00 1.06 0.00 0.00 27.41 28.99 1rw5 h HIS 97 CO -0.17 0.76 0.48 1.25 0.86 0.00 0.00 177.93 181.11 1rw5 h LEU 98 N 0.81 0.70 -0.32 2.43 5.85 -0.68 -0.15 115.31 123.95 1rw5 h LEU 98 Ca 0.19 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.83 1rw5 h LEU 98 Cb 0.26 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1rw5 h LEU 98 CO -0.01 0.40 -0.26 0.58 -0.34 0.00 0.00 178.44 178.81 1rw5 h VAL 99 N 0.81 1.29 -0.28 1.05 2.07 0.36 -2.42 116.25 119.14 1rw5 h VAL 99 Ca 0.40 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1rw5 h VAL 99 Cb 0.34 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1rw5 h VAL 99 CO -0.24 0.46 0.13 0.71 0.02 0.00 0.00 177.57 178.65 1rw5 h THR 100 N 0.49 1.15 -0.63 2.57 1.35 -0.28 -0.31 112.91 117.26 1rw5 h THR 100 Ca 0.06 -0.45 -0.05 0.00 -0.55 0.00 0.00 66.41 65.42 1rw5 h THR 100 Cb 0.82 0.94 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 1rw5 h THR 100 CO 0.07 0.16 0.18 -0.33 -0.25 0.00 0.00 175.52 175.35 1rw5 h GLU 101 N 0.31 0.97 -0.48 4.72 5.08 -1.08 -2.62 114.58 121.48 1rw5 h GLU 101 Ca 0.10 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 1rw5 h GLU 101 Cb 0.13 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1rw5 h GLU 101 CO -0.01 0.84 -0.10 0.28 -1.00 0.00 0.00 179.01 179.02 1rw5 h VAL 102 N 0.93 1.27 -0.89 3.13 2.07 -1.14 -2.45 116.25 119.16 1rw5 h VAL 102 Ca 0.21 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.57 1rw5 h VAL 102 Cb 0.29 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1rw5 h VAL 102 CO -0.01 0.42 0.58 -0.09 0.02 0.00 0.00 177.57 178.50 1rw5 h ARG 103 N 0.77 0.95 -0.15 1.57 2.43 -0.71 0.81 114.38 120.05 1rw5 h ARG 103 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1rw5 h ARG 103 Cb 0.65 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1rw5 h ARG 103 CO 0.04 0.63 0.00 0.41 -1.51 0.00 0.00 179.97 179.54 1rw5 n GLY 104 N -1.40 0.01 3.56 2.80 0.00 -1.02 -4.77 105.19 104.37 1rw5 n GLY 104 Ca 0.14 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.80 3.56 0.23 1.61 -2.45 0.28 -4.91 119.30 115.81 1rw5 s MET 105 Ca 0.28 0.07 -0.07 0.00 -1.25 0.00 0.00 55.69 54.71 1rw5 s MET 105 Cb 0.15 -3.88 0.19 0.00 1.25 0.00 0.00 34.83 32.54 1rw5 s MET 105 CO 0.22 -0.99 1.85 1.96 1.05 0.00 0.00 175.02 179.11 1rw5 h GLN 106 N 8.75 1.22 -0.09 4.11 4.20 -1.86 0.62 115.11 132.05 1rw5 h GLN 106 Ca -0.25 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 58.24 1rw5 h GLN 106 Cb 1.09 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1rw5 h GLN 106 CO 0.93 0.89 -0.29 1.49 -0.67 0.00 0.00 178.83 181.19 1rw5 h GLU 107 N 1.22 0.16 -2.14 1.46 4.57 -1.95 -3.32 114.58 114.58 1rw5 h GLU 107 Ca 0.31 -0.05 -0.58 0.00 -1.18 0.00 0.00 59.36 57.85 1rw5 h GLU 107 Cb 0.04 -0.01 -0.40 0.00 -0.16 0.00 0.00 28.75 28.21 1rw5 h GLU 107 CO -0.05 0.44 -0.92 0.00 -1.18 0.00 0.00 179.01 177.30 1rw5 n ALA 108 N -2.48 3.00 -0.11 2.92 0.00 -0.62 -4.93 120.51 118.28 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 0.37 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.39 0.00 -0.18 0.00 -0.04 0.11 -4.30 135.00 131.98 1rw5 n PRO 109 Ca 0.24 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 64.12 1rw5 n PRO 109 Cb 0.48 -0.78 0.22 0.00 -0.04 0.00 0.00 33.50 33.38 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 -2.01 2.49 0.00 0.54 1.02 -1.26 -3.82 120.64 117.59 1rw5 n GLU 110 Ca 0.00 -2.25 0.00 0.00 -0.02 0.00 0.00 57.16 54.89 1rw5 n GLU 110 Cb 0.00 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 1.46 0.00 0.14 0.62 0.00 -1.26 -3.56 120.51 117.92 1rw5 n ALA 111 Ca 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 53.44 53.53 1rw5 n ALA 111 Cb 0.60 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.31 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 1.33 -0.16 0.00 2.04 -1.82 -2.82 117.51 116.09 1rw5 h ILE 112 Ca 0.00 -1.60 -0.06 0.00 1.00 0.00 0.00 64.86 64.21 1rw5 h ILE 112 Cb 0.00 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1rw5 h ILE 112 CO 0.00 0.46 -0.15 0.25 0.00 0.00 0.00 178.15 178.71 1rw5 h LEU 113 N 0.06 0.25 -0.69 1.44 6.46 -1.78 -1.74 115.31 119.31 1rw5 h LEU 113 Ca 0.00 -0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.79 1rw5 h LEU 113 Cb 0.84 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.63 1rw5 h LEU 113 CO 0.06 0.42 0.35 0.77 -0.62 0.00 0.00 178.44 179.43 1rw5 h SER 114 N 0.24 0.48 1.02 1.25 4.64 -1.55 0.49 113.55 120.13 1rw5 h SER 114 Ca 0.05 0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 1rw5 h SER 114 Cb 0.42 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1rw5 h SER 114 CO 0.03 0.29 -1.04 0.11 -0.87 0.00 0.00 176.83 175.35 1rw5 h LYS 115 N 0.62 0.00 -0.27 4.77 1.57 -1.64 -3.23 116.57 118.39 1rw5 h LYS 115 Ca 0.33 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.99 1rw5 h LYS 115 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1rw5 h LYS 115 CO -0.24 0.61 -0.36 0.00 -0.57 0.00 0.00 179.45 178.89 1rw5 h ALA 116 N 1.25 0.88 -0.16 3.86 0.00 -0.48 0.35 119.26 124.96 1rw5 h ALA 116 Ca -0.08 -0.42 -0.22 0.00 0.00 0.00 0.00 54.91 54.19 1rw5 h ALA 116 Cb 1.64 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.32 1rw5 h ALA 116 CO 0.08 0.63 -0.75 -0.24 0.00 0.00 0.00 179.25 178.97 1rw5 h VAL 117 N 0.50 1.29 0.00 0.00 3.04 -1.03 -3.06 116.25 116.98 1rw5 h VAL 117 Ca 0.05 -1.97 -0.16 0.00 -1.01 0.00 0.00 66.70 63.62 1rw5 h VAL 117 Cb 0.85 1.96 -0.02 0.00 -2.01 0.00 0.00 31.29 32.06 1rw5 h VAL 117 CO 0.07 0.62 -0.86 1.05 -1.01 0.00 0.00 177.57 177.44 1rw5 h GLU 118 N 0.53 0.00 -0.39 4.17 4.11 -1.55 -3.11 114.58 118.33 1rw5 h GLU 118 Ca -0.04 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.24 1rw5 h GLU 118 Cb 1.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1rw5 h GLU 118 CO 0.15 0.62 -0.32 0.97 0.07 0.00 0.00 179.01 180.50 1rw5 h ILE 119 N 0.00 1.27 -0.02 -1.06 2.10 -0.34 -1.01 117.51 118.45 1rw5 h ILE 119 Ca -0.05 -1.49 -0.11 0.00 1.08 0.00 0.00 64.86 64.30 1rw5 h ILE 119 Cb 1.57 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 38.60 1rw5 h ILE 119 CO 0.08 0.50 -0.49 -0.08 -1.08 0.00 0.00 178.15 177.09 1rw5 h GLU 120 N 0.74 0.06 -0.07 2.19 4.81 -1.62 -2.50 114.58 118.19 1rw5 h GLU 120 Ca 0.08 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1rw5 h GLU 120 Cb 0.89 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.28 1rw5 h GLU 120 CO 0.08 0.53 -0.53 1.49 -0.73 0.00 0.00 179.01 179.85 1rw5 h GLU 121 N 0.05 0.48 -0.28 1.92 4.81 -1.41 -3.10 114.58 117.05 1rw5 h GLU 121 Ca -0.00 -0.43 -0.08 0.00 -0.13 0.00 0.00 59.36 58.73 1rw5 h GLU 121 Cb 0.88 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 1rw5 h GLU 121 CO 0.07 1.06 -0.15 1.96 -0.73 0.00 0.00 179.01 181.22 1rw5 h GLN 122 N 0.04 0.48 -0.47 1.92 1.08 -1.16 -2.48 115.11 114.51 1rw5 h GLN 122 Ca -0.05 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 56.98 1rw5 h GLN 122 Cb 1.20 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1rw5 h GLN 122 CO 0.11 0.62 0.17 1.79 -0.95 0.00 0.00 178.83 180.57 1rw5 h THR 123 N 0.44 1.18 -0.03 -0.54 1.35 -1.46 -2.14 112.91 111.72 1rw5 h THR 123 Ca 0.08 -0.59 -0.17 0.00 -0.55 0.00 0.00 66.41 65.18 1rw5 h THR 123 Cb 0.52 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 1rw5 h THR 123 CO 0.03 0.23 -0.75 0.11 -0.25 0.00 0.00 175.52 174.89 1rw5 h LYS 124 N 0.67 0.19 -0.49 4.72 1.79 -1.38 -3.15 116.57 118.94 1rw5 h LYS 124 Ca 0.16 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 1rw5 h LYS 124 Cb 0.16 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 1rw5 h LYS 124 CO -0.01 0.85 0.11 -0.09 -1.08 0.00 0.00 179.45 179.23 1rw5 h ARG 125 N 0.12 0.78 -0.63 3.15 2.43 -1.06 -1.88 114.38 117.29 1rw5 h ARG 125 Ca -0.02 -0.19 0.10 0.00 -0.81 0.00 0.00 59.98 59.06 1rw5 h ARG 125 Cb 1.32 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 1rw5 h ARG 125 CO 0.11 0.76 0.42 -0.07 -1.51 0.00 0.00 179.97 179.69 1rw5 h LEU 126 N 0.66 0.39 -0.39 3.80 3.38 -1.39 -0.55 115.31 121.21 1rw5 h LEU 126 Ca 0.15 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1rw5 h LEU 126 Cb 0.34 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1rw5 h LEU 126 CO 0.00 0.23 0.17 -0.07 0.09 0.00 0.00 178.44 178.86 1rw5 h LEU 127 N 0.43 0.53 -0.37 1.67 3.38 -1.31 0.70 115.31 120.35 1rw5 h LEU 127 Ca 0.29 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1rw5 h LEU 127 Cb 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1rw5 h LEU 127 CO -0.09 0.54 -0.04 -0.33 0.09 0.00 0.00 178.44 178.61 1rw5 h GLU 128 N 0.48 0.68 -0.38 1.13 5.08 -0.97 0.89 114.58 121.48 1rw5 h GLU 128 Ca 0.13 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1rw5 h GLU 128 Cb 0.16 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1rw5 h GLU 128 CO -0.01 0.80 0.19 0.78 -1.00 0.00 0.00 179.01 179.77 1rw5 h GLY 129 N 0.48 0.58 2.00 -3.84 0.00 -0.90 -2.81 103.07 98.58 1rw5 h GLY 129 Ca 0.10 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 46.99 1rw5 h GLY 129 CO 0.03 0.27 -0.79 0.00 0.00 0.00 0.00 176.54 176.04 1rw5 h MET 130 N 0.48 0.00 0.00 4.80 -0.00 0.56 -3.19 114.93 117.58 1rw5 h MET 130 Ca 0.13 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.79 1rw5 h MET 130 Cb 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.69 1rw5 h MET 130 CO -0.02 0.79 -0.19 0.93 -0.00 0.00 0.00 176.91 178.42 1rw5 h GLU 131 N 0.00 0.00 0.00 -0.10 5.08 0.10 -1.46 114.58 118.20 1rw5 h GLU 131 Ca -0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1rw5 h GLU 131 Cb 1.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1rw5 h GLU 131 CO 0.10 0.19 -0.82 1.37 -1.00 0.00 0.00 179.01 178.85 1rw5 h LEU 132 N 0.00 0.00 0.12 1.33 8.10 -1.51 -2.87 115.31 120.48 1rw5 h LEU 132 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1rw5 h LEU 132 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.56 1rw5 h LEU 132 CO 0.02 0.78 -0.06 0.40 -4.11 0.00 0.00 178.44 175.48 1rw5 h ILE 133 N 0.00 1.06 -0.73 0.15 2.04 -1.28 -0.77 117.51 117.99 1rw5 h ILE 133 Ca -0.02 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 1rw5 h ILE 133 Cb 1.61 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.21 1rw5 h ILE 133 CO 0.10 0.19 0.45 1.62 0.00 0.00 0.00 178.15 180.51 1rw5 h VAL 134 N -0.54 1.20 0.00 1.67 3.04 -1.48 0.58 116.25 120.72 1rw5 h VAL 134 Ca -0.02 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1rw5 h VAL 134 Cb 0.43 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 29.88 1rw5 h VAL 134 CO 0.03 0.21 0.00 0.77 -1.01 0.00 0.00 177.57 177.56 1rw5 h SER 135 N 1.00 0.00 0.00 3.17 4.64 -1.36 -1.62 113.55 119.38 1rw5 h SER 135 Ca 0.26 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.21 1rw5 h SER 135 Cb -0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 61.97 1rw5 h SER 135 CO -0.05 0.00 -2.40 0.00 -0.87 0.00 0.00 176.83 173.51 1rw5 n GLN 136 N -2.61 0.67 -0.21 4.77 6.02 -0.13 -4.18 117.38 121.72 1rw5 n GLN 136 Ca 0.02 0.11 -0.07 0.00 -0.01 0.00 0.00 57.00 57.04 1rw5 n GLN 136 Cb 0.28 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.11 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 -2.47 5.09 2.07 0.10 -3.43 116.25 118.87 1rw5 h VAL 137 Ca -0.55 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 65.83 1rw5 h VAL 137 Cb 1.94 0.71 -0.25 0.00 -1.52 0.00 0.00 31.29 32.18 1rw5 h VAL 137 CO -0.06 0.39 -0.21 -1.00 0.02 0.00 0.00 177.57 176.71 1rw5 s HIS 138 N -5.12 -0.73 0.33 1.57 3.76 -0.61 -5.04 115.29 109.45 1rw5 s HIS 138 Ca -0.11 1.52 0.01 0.00 -0.15 0.00 0.00 55.06 56.33 1rw5 s HIS 138 Cb 0.14 0.37 0.58 0.00 1.11 0.00 0.00 32.58 34.78 1rw5 s HIS 138 CO 0.84 -0.39 1.98 -1.00 -0.85 0.00 0.00 174.74 175.32 1rw5 h PRO 139 N 7.07 0.91 -6.63 8.40 0.13 -1.77 -3.36 132.00 136.76 1rw5 h PRO 139 Ca -0.35 -0.05 -0.64 0.00 -0.87 0.00 0.00 66.00 64.08 1rw5 h PRO 139 Cb 1.20 -0.21 -0.21 0.00 0.13 0.00 0.00 31.00 31.91 1rw5 h PRO 139 CO 0.26 0.60 -0.85 -1.21 -0.23 0.00 0.00 178.00 176.58 1rw5 s GLU 140 N -5.80 1.35 -0.08 0.86 2.02 -1.26 -4.90 118.70 110.88 1rw5 s GLU 140 Ca -0.11 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.55 1rw5 s GLU 140 Cb 0.18 -1.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.65 1rw5 s GLU 140 CO 0.78 0.40 -0.07 0.99 0.02 0.00 0.00 175.26 177.38 1rw5 s THR 141 N -1.24 3.68 0.32 3.63 2.01 -1.26 -4.99 115.64 117.78 1rw5 s THR 141 Ca 0.13 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.67 1rw5 s THR 141 Cb -0.09 -2.52 0.28 0.00 0.01 0.00 0.00 72.50 70.18 1rw5 s THR 141 CO 0.06 0.59 1.95 0.50 -0.69 0.00 0.00 174.62 177.03 1rw5 h LYS 142 N 5.46 0.96 -5.86 4.92 3.64 -1.99 -3.41 116.57 120.28 1rw5 h LYS 142 Ca -0.46 -0.06 -0.65 0.00 -1.27 0.00 0.00 60.65 58.22 1rw5 h LYS 142 Cb 1.18 -0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.71 1rw5 h LYS 142 CO 0.53 0.63 -0.52 -2.00 -2.27 0.00 0.00 179.45 175.83 1rw5 s GLU 143 N -5.85 3.30 0.59 1.90 2.12 -1.26 -5.09 118.70 114.41 1rw5 s GLU 143 Ca -0.11 -0.36 -0.13 0.00 0.36 0.00 0.00 54.97 54.73 1rw5 s GLU 143 Cb 0.19 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 1rw5 s GLU 143 CO 0.79 0.68 1.02 -0.80 -0.54 0.00 0.00 175.26 176.40 1rw5 s ASN 144 N -1.77 6.30 -0.92 -1.70 0.01 -1.26 -4.90 114.94 110.71 1rw5 s ASN 144 Ca 0.24 1.49 -0.22 0.00 -0.71 0.00 0.00 52.86 53.67 1rw5 s ASN 144 Cb -0.12 -2.49 -0.13 0.00 0.41 0.00 0.00 41.25 38.92 1rw5 s ASN 144 CO 0.15 -0.82 1.93 -1.84 -1.51 0.00 0.00 177.10 175.02 1rw5 n GLU 145 N -2.37 1.63 -4.63 -0.60 0.28 -1.26 -4.88 120.64 108.81 1rw5 n GLU 145 Ca 0.06 -2.07 -0.34 0.00 -0.16 0.00 0.00 57.16 54.65 1rw5 n GLU 145 Cb 0.54 -3.15 -0.11 0.00 1.43 0.00 0.00 31.44 30.15 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 6.38 3.67 0.23 3.84 1.01 -1.26 -4.97 121.20 130.10 1rw5 s ILE 146 Ca 0.60 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.84 1rw5 s ILE 146 Cb 0.10 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1rw5 s ILE 146 CO 0.11 0.59 -0.13 -0.72 0.00 0.00 0.00 174.94 174.80 1rw5 s TYR 147 N -0.69 1.84 1.17 3.97 -0.85 -1.26 -4.40 117.35 117.13 1rw5 s TYR 147 Ca 0.10 -0.58 -0.15 0.00 -0.52 0.00 0.00 57.07 55.92 1rw5 s TYR 147 Cb -0.11 -0.90 0.28 0.00 0.38 0.00 0.00 41.96 41.60 1rw5 s TYR 147 CO 0.02 0.37 1.04 -1.25 -1.52 0.00 0.00 175.55 174.20 1rw5 s PRO 148 N -3.65 -0.96 0.12 -3.49 0.04 -1.26 -5.02 135.00 120.77 1rw5 s PRO 148 Ca 0.25 0.55 0.02 0.00 0.04 0.00 0.00 61.00 61.86 1rw5 s PRO 148 Cb 0.00 -1.57 0.02 0.00 0.04 0.00 0.00 34.50 32.99 1rw5 s PRO 148 CO 0.09 -3.68 0.16 0.28 0.04 0.00 0.00 177.00 173.90 1rw5 n VAL 149 N -4.84 0.00 -3.94 -0.36 0.31 -1.26 -4.84 118.33 103.39 1rw5 n VAL 149 Ca 0.05 -0.39 -0.29 0.00 -0.01 0.00 0.00 64.34 63.70 1rw5 n VAL 149 Cb 0.56 -0.91 -0.16 0.00 -0.91 0.00 0.00 33.84 32.42 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 0.25 1.96 -0.09 3.52 -0.00 -1.26 -4.91 118.94 118.41 1rw5 s TRP 150 Ca 0.12 -1.21 0.13 0.00 -0.00 0.00 0.00 56.10 55.14 1rw5 s TRP 150 Cb -0.01 -1.44 0.22 0.00 -0.00 0.00 0.00 33.47 32.23 1rw5 s TRP 150 CO 0.08 -0.65 1.11 -1.13 -0.00 0.00 0.00 176.95 176.36 1rw5 n SER 151 N 4.81 1.61 -4.09 5.86 3.41 -1.26 -5.07 113.62 118.90 1rw5 n SER 151 Ca -0.14 -2.79 -0.22 0.00 -0.26 0.00 0.00 58.87 55.46 1rw5 n SER 151 Cb 0.48 -0.37 0.13 0.00 -0.26 0.00 0.00 64.21 64.19 1rw5 n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rw5 n GLY 152 N -0.96 0.02 3.41 5.00 0.00 -1.26 -4.61 105.19 106.79 1rw5 n GLY 152 Ca 0.11 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 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 -4.57 -4.68 0.99 4.77 -1.26 -4.82 117.00 107.43 1rw5 n LEU 153 Ca 0.15 -0.63 -0.46 0.00 -0.03 0.00 0.00 56.01 55.05 1rw5 n LEU 153 Cb 0.52 -2.74 -0.04 0.00 -2.33 0.00 0.00 43.42 38.83 1rw5 n LEU 153 CO 0.36 -0.16 1.37 -0.81 -1.33 0.00 0.00 177.39 176.81 1rw5 n PRO 154 N -2.92 2.36 -2.89 3.23 -0.04 -1.26 -3.84 135.00 129.64 1rw5 n PRO 154 Ca -0.09 0.86 -0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1rw5 n PRO 154 Cb 0.58 -2.69 -0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1rw5 n PRO 154 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1rw5 n SER 155 N 5.06 -7.24 -0.05 3.54 7.64 -1.26 -4.61 113.62 116.70 1rw5 n SER 155 Ca 0.19 1.06 0.04 0.00 1.01 0.00 0.00 58.87 61.16 1rw5 n SER 155 Cb 0.32 -3.91 0.39 0.00 -1.01 0.00 0.00 64.21 60.00 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 3.34 0.54 -2.20 -3.43 -0.00 -1.95 0.18 115.31 111.79 1rw5 h LEU 156 Ca -0.02 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.89 1rw5 h LEU 156 Cb 0.41 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1rw5 h LEU 156 CO 0.06 0.39 0.12 1.56 -0.00 0.00 0.00 178.44 180.57 1rw5 h GLN 157 N 0.64 0.00 -6.13 1.13 4.20 -1.94 -3.42 115.11 109.59 1rw5 h GLN 157 Ca 0.18 0.00 -0.74 0.00 0.06 0.00 0.00 58.65 58.16 1rw5 h GLN 157 Cb -0.05 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.74 1rw5 h GLN 157 CO -0.04 0.00 0.95 -0.12 -0.67 0.00 0.00 178.83 178.95 1rw5 n MET 158 N -4.07 1.14 -0.28 1.46 1.56 0.62 -4.84 117.12 112.70 1rw5 n MET 158 Ca 0.00 0.41 0.09 0.00 -0.27 0.00 0.00 57.70 57.93 1rw5 n MET 158 Cb 0.24 -2.12 0.20 0.00 2.15 0.00 0.00 33.22 33.69 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rw5 n ALA 159 N 5.73 2.66 -1.73 -5.12 0.00 -1.26 -4.85 120.51 115.93 1rw5 n ALA 159 Ca 0.28 -2.31 -0.36 0.00 0.00 0.00 0.00 53.44 51.05 1rw5 n ALA 159 Cb 0.13 -0.56 0.03 0.00 0.00 0.00 0.00 19.45 19.06 1rw5 n ALA 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rw5 s ASP 160 N -2.17 5.19 0.00 0.00 1.01 -1.26 -4.91 116.67 114.52 1rw5 s ASP 160 Ca 0.36 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.98 1rw5 s ASP 160 Cb 0.30 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1rw5 s ASP 160 CO 0.07 -1.59 0.37 -0.62 0.21 0.00 0.00 175.17 173.60 1rw5 n GLU 161 N -1.64 0.00 -0.30 8.23 1.02 -1.26 -1.83 120.64 124.86 1rw5 n GLU 161 Ca 0.13 0.35 0.04 0.00 -0.02 0.00 0.00 57.16 57.66 1rw5 n GLU 161 Cb 0.50 -1.07 0.18 0.00 -0.02 0.00 0.00 31.44 31.03 1rw5 n GLU 161 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1rw5 h GLU 162 N 0.00 0.77 -0.40 3.49 4.81 -1.96 -2.08 114.58 119.20 1rw5 h GLU 162 Ca 0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1rw5 h GLU 162 Cb 0.00 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1rw5 h GLU 162 CO 0.00 0.51 0.11 1.03 -0.73 0.00 0.00 179.01 179.93 1rw5 h SER 163 N 0.79 0.60 -0.67 1.04 0.87 -1.97 -2.77 113.55 111.43 1rw5 h SER 163 Ca 0.42 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 1rw5 h SER 163 Cb 0.41 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1rw5 h SER 163 CO -0.26 0.66 0.44 -0.09 -0.53 0.00 0.00 176.83 177.05 1rw5 h ARG 164 N 0.51 0.86 -0.88 2.24 9.65 -0.71 -1.17 114.38 124.88 1rw5 h ARG 164 Ca 0.13 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 1rw5 h ARG 164 Cb 0.28 -0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 28.62 1rw5 h ARG 164 CO -0.00 0.57 0.57 -0.07 2.80 0.00 0.00 179.97 183.84 1rw5 h LEU 165 N 0.88 0.96 -1.29 3.80 4.07 -1.14 0.20 115.31 122.79 1rw5 h LEU 165 Ca 0.25 -0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.24 1rw5 h LEU 165 Cb -0.06 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.41 1rw5 h LEU 165 CO -0.06 0.66 0.50 0.28 -1.08 0.00 0.00 178.44 178.74 1rw5 h SER 166 N 1.12 0.79 -0.79 -0.43 0.02 -1.11 0.97 113.55 114.11 1rw5 h SER 166 Ca 0.35 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.36 1rw5 h SER 166 Cb -0.01 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 1rw5 h SER 166 CO -0.11 0.54 0.52 0.00 -1.14 0.00 0.00 176.83 176.64 1rw5 h ALA 167 N 1.56 1.64 0.00 3.77 0.00 -0.16 -2.04 119.26 124.03 1rw5 h ALA 167 Ca 0.30 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.92 1rw5 h ALA 167 Cb 0.07 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1rw5 h ALA 167 CO -0.09 0.23 -2.17 0.66 0.00 0.00 0.00 179.25 177.88 1rw5 n TYR 168 N -4.48 0.00 -0.23 0.00 4.01 -0.53 -3.88 117.16 112.05 1rw5 n TYR 168 Ca 0.12 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1rw5 n TYR 168 Cb 0.23 -0.81 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 0.86 -0.54 -0.72 3.20 0.10 0.60 116.97 120.48 1rw5 h TYR 169 Ca -0.41 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.34 1rw5 h TYR 169 Cb 1.92 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.89 1rw5 h TYR 169 CO 0.00 0.59 -0.13 -0.91 -1.64 0.00 0.00 178.16 176.07 1rw5 h ASN 170 N 0.89 1.04 0.10 -2.11 2.35 -1.57 -2.16 115.58 114.12 1rw5 h ASN 170 Ca 0.23 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1rw5 h ASN 170 Cb -0.02 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.07 1rw5 h ASN 170 CO -0.04 1.16 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.77 1rw5 h LEU 171 N 0.91 -0.11 -0.96 1.61 3.38 -1.53 -2.54 115.31 116.07 1rw5 h LEU 171 Ca 0.14 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.26 1rw5 h LEU 171 Cb 0.70 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1rw5 h LEU 171 CO 0.05 0.29 0.57 -0.07 0.09 0.00 0.00 178.44 179.38 1rw5 h LEU 172 N -0.88 0.77 0.04 1.67 3.38 0.07 0.86 115.31 121.21 1rw5 h LEU 172 Ca -0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rw5 h LEU 172 Cb 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rw5 h LEU 172 CO 0.02 0.34 -0.02 -0.74 0.09 0.00 0.00 178.44 178.13 1rw5 h HIS 173 N 0.81 -0.05 -0.25 1.13 2.76 -1.52 -2.14 115.15 115.90 1rw5 h HIS 173 Ca 0.52 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.65 1rw5 h HIS 173 Cb 0.68 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 1rw5 h HIS 173 CO -0.03 0.32 -0.02 0.00 -1.30 0.00 0.00 177.93 176.90 1rw5 h LEU 175 N 0.37 1.13 0.29 0.00 6.46 0.91 0.34 115.31 124.81 1rw5 h LEU 175 Ca 0.08 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1rw5 h LEU 175 Cb 0.28 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1rw5 h LEU 175 CO 0.01 0.83 -0.14 -0.09 -0.62 0.00 0.00 178.44 178.43 1rw5 h ARG 176 N 1.32 -0.37 -0.69 1.25 2.43 -0.62 -1.48 114.38 116.22 1rw5 h ARG 176 Ca 0.35 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.63 1rw5 h ARG 176 Cb -0.13 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.44 1rw5 h ARG 176 CO -0.07 -0.05 0.34 -0.09 -1.51 0.00 0.00 179.97 178.59 1rw5 h ARG 177 N -0.95 0.58 -0.41 0.20 9.65 -1.29 -1.19 114.38 120.97 1rw5 h ARG 177 Ca -0.04 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 1rw5 h ARG 177 Cb 0.49 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1rw5 h ARG 177 CO 0.06 0.38 -0.12 -0.44 2.80 0.00 0.00 179.97 182.66 1rw5 h ASP 178 N 0.60 0.73 -0.06 -3.80 3.32 -0.99 -1.62 116.42 114.59 1rw5 h ASP 178 Ca 0.33 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1rw5 h ASP 178 Cb 0.32 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1rw5 h ASP 178 CO -0.25 0.87 -0.01 -1.28 -1.72 0.00 0.00 179.24 176.85 1rw5 h SER 179 N 0.67 0.19 -0.11 6.45 0.87 -0.13 -0.24 113.55 121.25 1rw5 h SER 179 Ca 0.11 -0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.46 1rw5 h SER 179 Cb 0.59 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1rw5 h SER 179 CO 0.04 0.25 -0.68 -0.74 -0.53 0.00 0.00 176.83 175.16 1rw5 h HIS 180 N 0.21 0.90 -0.12 2.24 -0.00 -0.70 -1.96 115.15 115.72 1rw5 h HIS 180 Ca 0.05 -0.41 0.01 0.00 -0.00 0.00 0.00 60.37 60.02 1rw5 h HIS 180 Cb 0.17 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1rw5 h HIS 180 CO 0.00 1.22 0.05 0.87 -0.00 0.00 0.00 177.93 180.07 1rw5 h LYS 181 N 0.31 0.11 -0.90 5.26 1.57 -0.39 0.80 116.57 123.33 1rw5 h LYS 181 Ca -0.06 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1rw5 h LYS 181 Cb 1.33 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.57 1rw5 h LYS 181 CO 0.14 0.07 0.60 0.82 -0.57 0.00 0.00 179.45 180.51 1rw5 h ILE 182 N 0.11 1.21 -0.51 1.86 2.04 -1.10 -0.78 117.51 120.34 1rw5 h ILE 182 Ca 0.05 -0.41 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1rw5 h ILE 182 Cb 0.02 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 35.99 1rw5 h ILE 182 CO -0.04 0.22 -0.09 -0.78 0.00 0.00 0.00 178.15 177.46 1rw5 h ASP 183 N 1.20 0.92 -0.76 1.72 3.58 -0.44 -3.03 116.42 119.61 1rw5 h ASP 183 Ca 0.34 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 1rw5 h ASP 183 Cb -0.10 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.67 1rw5 h ASP 183 CO -0.08 1.03 0.46 -1.13 -2.88 0.00 0.00 179.24 176.64 1rw5 h ASN 184 N 0.84 0.92 -0.68 2.28 -1.24 0.20 -2.76 115.58 115.13 1rw5 h ASN 184 Ca 0.14 -0.06 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 1rw5 h ASN 184 Cb 0.62 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 1rw5 h ASN 184 CO 0.04 0.71 0.31 1.88 -1.29 0.00 0.00 177.43 179.08 1rw5 h TYR 185 N 1.04 1.00 -0.72 0.67 0.05 -1.25 -2.18 116.97 115.58 1rw5 h TYR 185 Ca 0.27 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1rw5 h TYR 185 Cb -0.04 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.36 1rw5 h TYR 185 CO -0.01 0.76 0.45 -0.07 -1.05 0.00 0.00 178.16 178.24 1rw5 h LEU 186 N 0.95 0.85 -0.72 3.88 -0.00 -1.44 0.49 115.31 119.31 1rw5 h LEU 186 Ca 0.23 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 58.05 1rw5 h LEU 186 Cb 0.15 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.57 1rw5 h LEU 186 CO -0.03 0.63 0.34 0.11 -0.00 0.00 0.00 178.44 179.50 1rw5 h LYS 187 N 0.99 1.04 -0.18 1.13 1.57 -1.13 -0.72 116.57 119.26 1rw5 h LYS 187 Ca 0.26 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1rw5 h LYS 187 Cb -0.07 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 1rw5 h LYS 187 CO -0.05 0.82 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.47 1rw5 h LEU 188 N 1.01 0.40 -1.76 2.94 3.38 -0.85 -2.99 115.31 117.44 1rw5 h LEU 188 Ca 0.25 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1rw5 h LEU 188 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1rw5 h LEU 188 CO -0.03 0.75 0.13 -0.07 0.09 0.00 0.00 178.44 179.30 1rw5 h LEU 189 N 0.06 0.25 -0.54 1.67 4.07 -0.71 -2.47 115.31 117.65 1rw5 h LEU 189 Ca 0.04 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.06 1rw5 h LEU 189 Cb 0.60 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.22 1rw5 h LEU 189 CO 0.03 0.19 0.22 0.50 -1.08 0.00 0.00 178.44 178.30 1rw5 h LYS 190 N 0.29 0.40 0.00 1.13 3.64 -0.98 0.95 116.57 122.01 1rw5 h LYS 190 Ca 0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1rw5 h LYS 190 Cb -0.01 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1rw5 h LYS 190 CO -0.02 0.26 -0.05 0.00 -2.27 0.00 0.00 179.45 177.38 1rw5 n ARG 192 N -4.23 1.05 0.07 0.00 1.74 -0.45 -2.39 116.66 112.45 1rw5 n ARG 192 Ca -0.03 -0.05 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 1rw5 n ARG 192 Cb 0.13 -1.43 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1rw5 h ILE 193 N 0.00 1.63 0.00 0.55 2.10 0.98 -3.38 117.51 119.39 1rw5 h ILE 193 Ca -0.33 -3.31 0.00 0.00 1.08 0.00 0.00 64.86 62.29 1rw5 h ILE 193 Cb 1.71 2.86 0.00 0.00 -1.09 0.00 0.00 36.82 40.30 1rw5 h ILE 193 CO 0.02 0.94 0.00 -0.38 -1.08 0.00 0.00 178.15 177.65 1rw5 n ILE 194 N -3.38 0.00 -2.94 2.19 5.41 -0.40 -4.93 119.36 115.31 1rw5 n ILE 194 Ca -0.03 -0.36 -0.13 0.00 1.00 0.00 0.00 62.75 63.23 1rw5 n ILE 194 Cb 0.96 1.06 0.03 0.00 -0.71 0.00 0.00 39.64 40.99 1rw5 n ILE 194 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1rw5 n HIS 195 N -0.58 -1.43 -4.41 1.39 8.25 -1.01 -5.00 115.22 112.44 1rw5 n HIS 195 Ca 0.00 0.46 -0.34 0.00 -0.26 0.00 0.00 57.72 57.58 1rw5 n HIS 195 Cb 0.01 -3.18 -0.11 0.00 1.12 0.00 0.00 29.99 27.83 1rw5 n HIS 195 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1rw5 s ASN 196 N -3.03 4.97 -0.33 0.41 3.84 -1.23 -4.99 114.94 114.58 1rw5 s ASN 196 Ca 0.27 -0.00 -0.29 0.00 0.21 0.00 0.00 52.86 53.05 1rw5 s ASN 196 Cb -0.12 -1.57 -0.01 0.00 -0.55 0.00 0.00 41.25 39.01 1rw5 s ASN 196 CO 0.33 0.28 1.57 0.21 -2.79 0.00 0.00 177.10 176.69 1rw5 s ASN 197 N -0.30 6.24 -0.03 -4.21 3.84 -1.26 -3.73 114.94 115.48 1rw5 s ASN 197 Ca 0.05 1.18 0.01 0.00 0.21 0.00 0.00 52.86 54.32 1rw5 s ASN 197 Cb -0.12 -2.53 0.04 0.00 -0.55 0.00 0.00 41.25 38.08 1rw5 s ASN 197 CO 0.02 -1.45 0.72 -3.20 -2.79 0.00 0.00 177.10 170.40 1rw5 n ASN 198 N 9.08 -0.68 0.00 -4.21 5.15 -1.26 -5.06 115.26 118.29 1rw5 n ASN 198 Ca 0.19 -1.34 0.00 0.00 -0.60 0.00 0.00 54.58 52.83 1rw5 n ASN 198 Cb 0.47 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.95 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66