#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw5 s PRO 2 N 0.00 3.21 -0.13 1.96 0.04 -1.26 -4.93 135.00 133.90 1rw5 s PRO 2 Ca 0.00 2.12 -0.00 0.00 0.04 0.00 0.00 61.00 63.16 1rw5 s PRO 2 Cb 0.00 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1rw5 s PRO 2 CO 0.00 -1.10 -0.13 0.42 0.04 0.00 0.00 177.00 176.23 1rw5 s ILE 3 N -1.37 3.04 -0.37 0.56 -1.09 -1.26 -4.99 121.20 115.72 1rw5 s ILE 3 Ca 0.71 -0.67 0.05 0.00 -2.23 0.00 0.00 60.65 58.51 1rw5 s ILE 3 Cb -0.38 -2.27 0.28 0.00 -1.58 0.00 0.00 42.46 38.51 1rw5 s ILE 3 CO 0.44 0.52 1.26 0.00 -1.23 0.00 0.00 174.94 175.94 1rw5 s PRO 5 N 0.12 3.71 -0.84 0.00 0.04 -1.26 -3.19 135.00 133.59 1rw5 s PRO 5 Ca 0.18 1.21 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 1rw5 s PRO 5 Cb 0.26 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.82 1rw5 s PRO 5 CO -0.11 -1.39 0.01 0.41 0.04 0.00 0.00 177.00 175.96 1rw5 n GLY 6 N 4.77 -0.03 2.38 0.56 0.00 -1.26 -4.41 105.19 107.19 1rw5 n GLY 6 Ca 0.17 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 1rw5 n GLY 6 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rw5 n GLY 7 N -1.01 -5.29 3.75 -0.02 0.00 -1.19 -5.00 105.19 96.43 1rw5 n GLY 7 Ca -0.12 1.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.59 1rw5 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rw5 s ALA 8 N -0.58 3.49 0.39 4.61 0.00 -1.26 -4.98 121.76 123.43 1rw5 s ALA 8 Ca -0.16 -0.99 0.09 0.00 0.00 0.00 0.00 51.96 50.91 1rw5 s ALA 8 Cb 0.01 -1.42 0.87 0.00 0.00 0.00 0.00 23.12 22.58 1rw5 s ALA 8 CO 0.44 0.72 1.96 0.00 0.00 0.00 0.00 175.76 178.87 1rw5 h ALA 9 N 3.63 1.85 -1.00 0.00 0.00 -1.97 0.20 119.26 121.96 1rw5 h ALA 9 Ca -0.48 -0.01 -0.70 0.00 0.00 0.00 0.00 54.91 53.72 1rw5 h ALA 9 Cb 1.17 -0.14 -0.29 0.00 0.00 0.00 0.00 17.79 18.53 1rw5 h ALA 9 CO 0.63 0.02 0.89 2.89 0.00 0.00 0.00 179.25 183.69 1rw5 n ARG 10 N -4.48 2.73 -0.33 0.00 1.85 -1.26 -4.69 116.66 110.47 1rw5 n ARG 10 Ca 0.11 -3.38 0.15 0.00 -1.00 0.00 0.00 57.85 53.73 1rw5 n ARG 10 Cb 0.31 -2.28 0.38 0.00 -1.05 0.00 0.00 32.46 29.81 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 -5.75 2.82 -0.01 0.00 -0.21 -1.26 -4.47 119.66 110.78 1rw5 s GLN 12 Ca -0.10 -0.83 0.01 0.00 0.02 0.00 0.00 55.36 54.46 1rw5 s GLN 12 Cb 0.25 -2.31 0.00 0.00 1.00 0.00 0.00 33.01 31.95 1rw5 s GLN 12 CO 0.80 0.33 -0.04 0.14 -2.12 0.00 0.00 175.29 174.40 1rw5 s VAL 13 N -0.02 0.37 0.15 1.09 -7.23 -1.26 -5.13 120.40 108.37 1rw5 s VAL 13 Ca -0.07 -0.16 -0.30 0.00 -1.81 0.00 0.00 61.98 59.65 1rw5 s VAL 13 Cb -0.15 -0.34 -0.07 0.00 0.56 0.00 0.00 36.38 36.38 1rw5 s VAL 13 CO 0.05 0.12 0.94 -0.89 -0.31 0.00 0.00 175.10 175.01 1rw5 s THR 14 N 0.13 4.37 0.27 5.32 2.01 -1.26 -4.91 115.64 121.57 1rw5 s THR 14 Ca -0.01 2.04 -0.02 0.00 0.31 0.00 0.00 61.69 64.02 1rw5 s THR 14 Cb -0.05 -4.31 0.26 0.00 0.01 0.00 0.00 72.50 68.41 1rw5 s THR 14 CO -0.00 0.38 1.84 0.25 -0.69 0.00 0.00 174.62 176.40 1rw5 h LEU 15 N 5.10 0.87 0.02 4.42 5.85 -2.00 0.12 115.31 129.68 1rw5 h LEU 15 Ca -0.44 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 1rw5 h LEU 15 Cb 1.21 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1rw5 h LEU 15 CO 0.70 0.50 -0.01 -0.09 -0.34 0.00 0.00 178.44 179.20 1rw5 h ARG 16 N 0.97 -0.02 -0.02 1.25 2.43 -1.92 0.96 114.38 118.02 1rw5 h ARG 16 Ca 0.45 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.62 1rw5 h ARG 16 Cb 0.37 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1rw5 h ARG 16 CO -0.24 0.18 -0.00 -0.44 -1.51 0.00 0.00 179.97 177.96 1rw5 h ASP 17 N -0.22 0.04 -0.67 -3.80 3.32 -1.82 -0.31 116.42 112.96 1rw5 h ASP 17 Ca -0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 1rw5 h ASP 17 Cb 0.21 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1rw5 h ASP 17 CO 0.00 0.37 0.24 0.25 -1.72 0.00 0.00 179.24 178.38 1rw5 h LEU 18 N -0.29 0.94 -0.51 1.55 6.46 -0.83 -1.40 115.31 121.24 1rw5 h LEU 18 Ca 0.01 -0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.55 1rw5 h LEU 18 Cb 0.35 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1rw5 h LEU 18 CO 0.00 0.88 0.21 0.15 -0.62 0.00 0.00 178.44 179.06 1rw5 h PHE 19 N 0.96 0.77 -0.72 1.25 3.57 -0.77 0.88 116.94 122.88 1rw5 h PHE 19 Ca 0.22 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1rw5 h PHE 19 Cb 0.25 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1rw5 h PHE 19 CO 0.02 0.64 0.48 -0.44 -2.23 0.00 0.00 178.31 176.77 1rw5 h ASP 20 N 0.68 0.76 -0.30 0.41 3.32 -0.66 0.18 116.42 120.81 1rw5 h ASP 20 Ca 0.17 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 1rw5 h ASP 20 Cb 0.19 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1rw5 h ASP 20 CO -0.02 0.53 -0.41 0.03 -1.72 0.00 0.00 179.24 177.66 1rw5 h ARG 21 N 0.89 0.80 -0.25 3.56 3.08 -0.51 -2.34 114.38 119.62 1rw5 h ARG 21 Ca 0.28 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1rw5 h ARG 21 Cb 0.03 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1rw5 h ARG 21 CO -0.08 1.10 -0.12 0.00 -1.07 0.00 0.00 179.97 179.80 1rw5 h ALA 22 N 0.70 1.34 -0.35 0.04 0.00 0.23 0.39 119.26 121.61 1rw5 h ALA 22 Ca 0.03 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1rw5 h ALA 22 Cb 1.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1rw5 h ALA 22 CO 0.10 0.45 -0.20 0.28 0.00 0.00 0.00 179.25 179.88 1rw5 h VAL 23 N 0.38 1.29 -0.05 0.00 2.07 -0.53 -2.43 116.25 116.97 1rw5 h VAL 23 Ca 0.07 -1.33 -0.22 0.00 0.82 0.00 0.00 66.70 66.05 1rw5 h VAL 23 Cb 0.44 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1rw5 h VAL 23 CO 0.03 0.44 -0.87 0.58 0.02 0.00 0.00 177.57 177.77 1rw5 h VAL 24 N 0.54 1.36 -0.62 2.57 2.07 -1.07 -3.15 116.25 117.95 1rw5 h VAL 24 Ca 0.08 -2.25 0.04 0.00 0.82 0.00 0.00 66.70 65.38 1rw5 h VAL 24 Cb 0.74 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 1rw5 h VAL 24 CO 0.06 0.68 0.41 0.25 0.02 0.00 0.00 177.57 178.99 1rw5 h LEU 25 N 0.32 0.62 -1.54 2.57 5.85 -0.15 -1.04 115.31 121.93 1rw5 h LEU 25 Ca -0.07 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 1rw5 h LEU 25 Cb 1.48 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1rw5 h LEU 25 CO 0.16 0.42 -0.23 0.77 -0.34 0.00 0.00 178.44 179.22 1rw5 h SER 26 N 0.71 0.00 0.37 1.25 4.64 -1.39 -2.30 113.55 116.84 1rw5 h SER 26 Ca 0.25 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.41 1rw5 h SER 26 Cb 0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1rw5 h SER 26 CO -0.07 0.23 -0.67 -0.74 -0.87 0.00 0.00 176.83 174.72 1rw5 h HIS 27 N 0.00 0.36 -0.30 4.77 -0.00 -1.26 -3.06 115.15 115.66 1rw5 h HIS 27 Ca -0.00 -0.15 0.02 0.00 -0.00 0.00 0.00 60.37 60.24 1rw5 h HIS 27 Cb 0.41 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 1rw5 h HIS 27 CO 0.00 0.85 0.14 -0.92 -0.00 0.00 0.00 177.93 178.01 1rw5 h TYR 28 N 0.19 0.27 -0.27 5.26 3.20 -1.24 -0.68 116.97 123.70 1rw5 h TYR 28 Ca -0.02 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 1rw5 h TYR 28 Cb 1.20 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1rw5 h TYR 28 CO 0.03 0.14 0.18 0.82 -1.64 0.00 0.00 178.16 177.69 1rw5 h ILE 29 N 0.30 1.05 -0.39 1.81 2.04 -1.51 -0.48 117.51 120.34 1rw5 h ILE 29 Ca 0.13 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 1rw5 h ILE 29 Cb 0.05 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1rw5 h ILE 29 CO -0.09 0.06 0.24 -0.74 0.00 0.00 0.00 178.15 177.62 1rw5 h HIS 30 N 0.33 0.50 -0.55 1.37 2.76 -1.04 0.43 115.15 118.96 1rw5 h HIS 30 Ca 0.10 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1rw5 h HIS 30 Cb 0.00 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 1rw5 h HIS 30 CO -0.00 0.35 0.16 -0.91 -1.30 0.00 0.00 177.93 176.23 1rw5 h ASN 31 N 0.51 0.81 0.38 3.26 2.35 -0.61 0.82 115.58 123.10 1rw5 h ASN 31 Ca 0.14 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1rw5 h ASN 31 Cb -0.01 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1rw5 h ASN 31 CO -0.03 0.81 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.31 1rw5 h LEU 32 N 0.77 -0.44 -1.14 1.61 3.38 -0.46 0.79 115.31 119.82 1rw5 h LEU 32 Ca 0.17 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 1rw5 h LEU 32 Cb 0.30 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1rw5 h LEU 32 CO -0.00 -0.26 -0.28 0.77 0.09 0.00 0.00 178.44 178.76 1rw5 h SER 33 N -0.58 0.25 0.27 -0.43 4.64 -0.06 0.14 113.55 117.78 1rw5 h SER 33 Ca -0.05 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1rw5 h SER 33 Cb 0.43 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1rw5 h SER 33 CO 0.09 0.53 -0.13 -1.28 -0.87 0.00 0.00 176.83 175.17 1rw5 h SER 34 N 0.23 -0.30 -0.21 4.97 0.87 0.10 -2.26 113.55 116.95 1rw5 h SER 34 Ca 0.03 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.45 1rw5 h SER 34 Cb 0.61 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1rw5 h SER 34 CO 0.04 0.18 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.16 1rw5 h GLU 35 N -1.04 0.40 -0.46 2.24 4.39 0.57 0.14 114.58 120.82 1rw5 h GLU 35 Ca -0.04 -0.15 0.04 0.00 0.34 0.00 0.00 59.36 59.55 1rw5 h GLU 35 Cb 0.39 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.97 1rw5 h GLU 35 CO 0.06 0.64 0.24 1.98 -1.16 0.00 0.00 179.01 180.76 1rw5 h MET 36 N 0.13 0.46 -0.32 2.33 4.05 -0.82 0.19 114.93 120.94 1rw5 h MET 36 Ca 0.05 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 1rw5 h MET 36 Cb 0.48 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1rw5 h MET 36 CO 0.02 0.30 0.03 0.35 0.23 0.00 0.00 176.91 177.84 1rw5 h PHE 37 N 0.47 0.59 -0.82 1.39 3.57 -1.30 -2.17 116.94 118.66 1rw5 h PHE 37 Ca 0.20 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1rw5 h PHE 37 Cb 0.10 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.64 1rw5 h PHE 37 CO -0.10 0.65 0.54 1.03 -2.23 0.00 0.00 178.31 178.19 1rw5 h SER 38 N 0.36 0.95 -0.71 0.41 0.87 -0.13 0.57 113.55 115.86 1rw5 h SER 38 Ca 0.09 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1rw5 h SER 38 Cb 0.39 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1rw5 h SER 38 CO 0.01 0.69 0.37 -0.33 -0.53 0.00 0.00 176.83 177.04 1rw5 h GLU 39 N 1.11 1.02 -0.01 2.24 5.08 -0.48 -1.02 114.58 122.52 1rw5 h GLU 39 Ca 0.30 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1rw5 h GLU 39 Cb -0.12 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 28.94 1rw5 h GLU 39 CO -0.06 0.77 -0.02 0.35 -1.00 0.00 0.00 179.01 179.04 1rw5 h PHE 40 N 1.02 0.04 -0.97 4.33 3.57 -0.60 -0.92 116.94 123.41 1rw5 h PHE 40 Ca 0.25 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.94 1rw5 h PHE 40 Cb 0.07 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 38.71 1rw5 h PHE 40 CO 0.01 0.60 0.62 0.22 -2.23 0.00 0.00 178.31 177.53 1rw5 h ASP 41 N -0.53 0.61 0.12 0.41 3.58 0.45 0.39 116.42 121.45 1rw5 h ASP 41 Ca 0.00 0.07 -0.20 0.00 0.42 0.00 0.00 57.03 57.32 1rw5 h ASP 41 Cb 0.60 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.63 1rw5 h ASP 41 CO 0.00 0.22 -0.94 0.11 -2.88 0.00 0.00 179.24 175.76 1rw5 h LYS 42 N 0.59 0.25 -0.23 0.28 6.56 -1.16 0.36 116.57 123.22 1rw5 h LYS 42 Ca 0.54 -0.43 -0.08 0.00 -1.06 0.00 0.00 60.65 59.63 1rw5 h LYS 42 Cb 1.06 0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 1rw5 h LYS 42 CO -0.29 1.20 -0.19 0.00 -2.06 0.00 0.00 179.45 178.11 1rw5 h ARG 43 N -0.43 0.40 0.00 3.15 3.08 -0.51 -3.03 114.38 117.05 1rw5 h ARG 43 Ca -0.18 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 59.59 1rw5 h ARG 43 Cb 1.61 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.60 1rw5 h ARG 43 CO 0.10 0.59 -1.55 0.66 -1.07 0.00 0.00 179.97 178.70 1rw5 n TYR 44 N -4.17 0.00 -1.17 3.04 4.02 0.13 -4.74 117.16 114.27 1rw5 n TYR 44 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 1rw5 n TYR 44 Cb 0.35 -0.37 0.25 0.00 -0.02 0.00 0.00 39.34 39.55 1rw5 n TYR 44 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1rw5 n THR 45 N -2.85 2.62 -1.94 -0.72 -2.24 0.53 -4.84 114.28 104.83 1rw5 n THR 45 Ca -0.17 -2.08 -0.38 0.00 -2.27 0.00 0.00 64.05 59.14 1rw5 n THR 45 Cb 0.68 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1rw5 n THR 45 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1rw5 s HIS 46 N -3.04 1.54 -0.04 4.78 5.04 0.94 -2.27 115.29 122.25 1rw5 s HIS 46 Ca 0.48 0.94 0.00 0.00 -1.54 0.00 0.00 55.06 54.94 1rw5 s HIS 46 Cb 0.40 -3.99 0.00 0.00 0.04 0.00 0.00 32.58 29.03 1rw5 s HIS 46 CO 0.08 -2.37 0.00 0.41 -2.34 0.00 0.00 174.74 170.51 1rw5 n GLY 47 N 5.75 0.38 0.31 1.59 0.00 -1.26 -4.94 105.19 107.02 1rw5 n GLY 47 Ca 0.24 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 1.05 0.00 1.61 2.47 -1.78 -3.46 114.38 114.26 1rw5 h ARG 48 Ca -0.01 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1rw5 h ARG 48 Cb 0.47 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1rw5 h ARG 48 CO 0.01 0.73 0.00 0.41 0.56 0.00 0.00 179.97 181.68 1rw5 n GLY 49 N -1.21 2.50 0.00 0.04 0.00 -1.26 -4.75 105.19 100.51 1rw5 n GLY 49 Ca 0.07 -0.58 0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.00 -3.89 1.61 -1.74 -1.26 -4.68 117.46 107.50 1rw5 n PHE 50 Ca 0.00 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.53 1rw5 n PHE 50 Cb 0.00 -0.43 -0.07 0.00 1.52 0.00 0.00 39.48 40.50 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 -2.85 5.32 0.13 1.97 -4.36 -1.26 -5.09 121.20 115.05 1rw5 s ILE 51 Ca 0.12 0.15 0.07 0.00 -0.26 0.00 0.00 60.65 60.72 1rw5 s ILE 51 Cb 0.12 -3.35 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 1rw5 s ILE 51 CO 0.32 0.55 -0.16 0.42 0.24 0.00 0.00 174.94 176.31 1rw5 s THR 52 N -0.49 1.51 0.35 8.37 -4.23 -1.26 -4.99 115.64 114.89 1rw5 s THR 52 Ca 0.12 -1.72 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 1rw5 s THR 52 Cb -0.12 -1.59 0.16 0.00 1.34 0.00 0.00 72.50 72.30 1rw5 s THR 52 CO 0.02 -0.32 1.89 0.11 -0.54 0.00 0.00 174.62 175.77 1rw5 h LYS 53 N 3.58 0.45 -6.25 3.99 1.57 -2.00 -3.40 116.57 114.52 1rw5 h LYS 53 Ca -0.41 -0.10 -0.56 0.00 -1.87 0.00 0.00 60.65 57.71 1rw5 h LYS 53 Cb 1.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1rw5 h LYS 53 CO 0.48 0.50 1.06 0.00 -0.57 0.00 0.00 179.45 180.93 1rw5 s ALA 54 N -4.92 3.50 -0.10 3.86 0.00 -1.26 -4.98 121.76 117.86 1rw5 s ALA 54 Ca -0.07 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1rw5 s ALA 54 Cb 0.15 -3.76 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1rw5 s ALA 54 CO 0.76 -1.56 -0.18 0.42 0.00 0.00 0.00 175.76 175.20 1rw5 s ILE 55 N 4.35 1.65 -0.16 0.00 -1.09 -1.26 -4.99 121.20 119.70 1rw5 s ILE 55 Ca 0.68 -0.76 0.17 0.00 -2.23 0.00 0.00 60.65 58.51 1rw5 s ILE 55 Cb -0.27 -1.47 0.34 0.00 -1.58 0.00 0.00 42.46 39.48 1rw5 s ILE 55 CO 0.26 0.47 1.19 0.59 -1.23 0.00 0.00 174.94 176.22 1rw5 n ASN 56 N 3.89 2.32 -4.17 3.58 5.03 -1.26 -5.01 115.26 119.64 1rw5 n ASN 56 Ca -0.20 -3.29 -0.26 0.00 0.87 0.00 0.00 54.58 51.70 1rw5 n ASN 56 Cb 0.52 -0.47 -0.16 0.00 -1.02 0.00 0.00 39.78 38.66 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1rw5 s SER 57 N -2.89 2.18 -0.09 6.41 0.15 -1.26 -5.13 113.70 113.08 1rw5 s SER 57 Ca 0.34 -0.34 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 1rw5 s SER 57 Cb 0.31 -0.38 0.12 0.00 -1.71 0.00 0.00 66.02 64.35 1rw5 s SER 57 CO 0.01 0.20 0.97 0.00 1.20 0.00 0.00 173.24 175.62 1rw5 n HIS 59 N 0.12 0.80 0.28 0.00 8.25 -1.26 -4.22 115.22 119.18 1rw5 n HIS 59 Ca -0.08 0.35 0.12 0.00 -0.26 0.00 0.00 57.72 57.84 1rw5 n HIS 59 Cb 0.60 -0.91 0.54 0.00 1.12 0.00 0.00 29.99 31.34 1rw5 n HIS 59 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1rw5 n THR 60 N -4.49 0.93 0.06 1.59 -2.24 -1.26 -2.32 114.28 106.55 1rw5 n THR 60 Ca -0.23 0.48 0.16 0.00 -2.27 0.00 0.00 64.05 62.19 1rw5 n THR 60 Cb 0.53 -1.45 0.65 0.00 -2.10 0.00 0.00 70.33 67.95 1rw5 n THR 60 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1rw5 h SER 61 N 0.00 0.05 -0.27 3.42 0.87 -1.98 0.13 113.55 115.77 1rw5 h SER 61 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1rw5 h SER 61 Cb 0.18 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1rw5 h SER 61 CO 0.00 0.03 0.23 -1.28 -0.53 0.00 0.00 176.83 175.28 1rw5 h SER 62 N 0.05 0.00 -2.50 6.23 0.87 -1.71 -3.43 113.55 113.07 1rw5 h SER 62 Ca 0.19 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.38 1rw5 h SER 62 Cb 0.69 0.00 0.20 0.00 -0.44 0.00 0.00 62.40 62.85 1rw5 h SER 62 CO -0.01 0.00 -0.48 0.18 -0.53 0.00 0.00 176.83 175.98 1rw5 n LEU 63 N -4.15 -1.58 -2.03 2.23 7.99 0.46 -4.85 117.00 115.07 1rw5 n LEU 63 Ca 0.04 -0.38 -0.21 0.00 -0.01 0.00 0.00 56.01 55.45 1rw5 n LEU 63 Cb 0.38 -0.97 0.14 0.00 -0.11 0.00 0.00 43.42 42.86 1rw5 n LEU 63 CO 0.32 -3.52 1.17 0.00 -1.51 0.00 0.00 177.39 173.86 1rw5 n ALA 64 N -4.87 5.15 -0.85 -1.18 0.00 -1.26 -4.99 120.51 112.52 1rw5 n ALA 64 Ca 0.05 -2.44 -0.33 0.00 0.00 0.00 0.00 53.44 50.72 1rw5 n ALA 64 Cb 0.53 -1.40 0.13 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.82 0.41 -1.64 0.00 -2.24 -1.26 -4.75 114.28 103.98 1rw5 n THR 65 Ca 0.50 -0.17 -0.55 0.00 -2.27 0.00 0.00 64.05 61.55 1rw5 n THR 65 Cb 1.38 -0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.35 1.20 -0.23 -0.78 -0.04 -1.26 -4.85 135.00 126.69 1rw5 n PRO 66 Ca 0.09 0.42 -0.08 0.00 -0.04 0.00 0.00 63.50 63.89 1rw5 n PRO 66 Cb 0.52 -2.21 0.03 0.00 -0.04 0.00 0.00 33.50 31.81 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 8.55 1.10 -4.74 0.54 5.08 -1.93 -3.46 114.58 119.72 1rw5 h GLU 67 Ca -0.41 -0.31 -0.31 0.00 -1.00 0.00 0.00 59.36 57.33 1rw5 h GLU 67 Cb 1.32 -0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 1rw5 h GLU 67 CO 0.98 1.02 -0.61 -0.51 -1.00 0.00 0.00 179.01 178.89 1rw5 s ASP 68 N -6.50 0.72 0.28 1.42 1.01 -1.26 -5.03 116.67 107.31 1rw5 s ASP 68 Ca -0.12 -1.42 -0.02 0.00 0.71 0.00 0.00 52.55 51.70 1rw5 s ASP 68 Cb 0.14 0.31 0.40 0.00 1.01 0.00 0.00 42.92 44.79 1rw5 s ASP 68 CO 0.85 -0.82 1.91 0.11 0.21 0.00 0.00 175.17 177.43 1rw5 h LYS 69 N 2.48 1.02 -0.53 8.23 1.57 -1.99 -1.37 116.57 125.97 1rw5 h LYS 69 Ca -0.36 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1rw5 h LYS 69 Cb 1.25 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1rw5 h LYS 69 CO 0.55 0.75 0.20 0.93 -0.57 0.00 0.00 179.45 181.32 1rw5 h GLU 70 N 1.03 0.80 -0.56 3.15 5.08 -1.99 -1.39 114.58 120.71 1rw5 h GLU 70 Ca 0.26 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1rw5 h GLU 70 Cb 0.03 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1rw5 h GLU 70 CO -0.04 0.71 0.02 0.37 -1.00 0.00 0.00 179.01 179.07 1rw5 h GLN 71 N 0.73 0.95 -0.88 2.33 4.15 -1.85 -1.67 115.11 118.86 1rw5 h GLN 71 Ca 0.18 -0.27 0.02 0.00 0.77 0.00 0.00 58.65 59.34 1rw5 h GLN 71 Cb 0.21 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 1rw5 h GLN 71 CO -0.01 0.93 0.58 0.00 -1.93 0.00 0.00 178.83 178.40 1rw5 h ALA 72 N 1.13 1.13 -0.90 3.38 0.00 -0.81 0.36 119.26 123.55 1rw5 h ALA 72 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rw5 h ALA 72 Cb 0.49 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1rw5 h ALA 72 CO 0.02 0.49 0.57 0.37 0.00 0.00 0.00 179.25 180.69 1rw5 h GLN 73 N 1.16 1.21 -0.21 0.00 4.15 -0.67 0.00 115.11 120.76 1rw5 h GLN 73 Ca 0.33 -0.09 -0.06 0.00 0.77 0.00 0.00 58.65 59.60 1rw5 h GLN 73 Cb -0.09 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.32 1rw5 h GLN 73 CO -0.09 0.83 -0.15 1.96 -1.93 0.00 0.00 178.83 179.45 1rw5 h GLN 74 N 1.24 0.34 -5.73 1.69 4.20 0.11 -3.41 115.11 113.56 1rw5 h GLN 74 Ca 0.33 -0.09 -0.58 0.00 0.06 0.00 0.00 58.65 58.36 1rw5 h GLN 74 Cb -0.09 -0.04 -0.08 0.00 0.30 0.00 0.00 27.48 27.57 1rw5 h GLN 74 CO -0.07 0.49 -0.05 -1.64 -0.67 0.00 0.00 178.83 176.90 1rw5 s MET 75 N -4.68 4.30 -0.33 1.46 -1.94 0.99 -4.91 119.30 114.19 1rw5 s MET 75 Ca -0.06 0.53 0.04 0.00 -1.71 0.00 0.00 55.69 54.49 1rw5 s MET 75 Cb 0.15 -3.49 0.24 0.00 2.01 0.00 0.00 34.83 33.74 1rw5 s MET 75 CO 0.75 0.02 1.26 -1.71 -0.01 0.00 0.00 175.02 175.34 1rw5 n ASN 76 N 4.13 -1.29 0.00 3.03 5.15 -1.26 -4.82 115.26 120.19 1rw5 n ASN 76 Ca -0.05 -1.93 0.00 0.00 -0.60 0.00 0.00 54.58 52.01 1rw5 n ASN 76 Cb 0.51 1.14 0.00 0.00 -0.53 0.00 0.00 39.78 40.90 1rw5 n ASN 76 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1rw5 n GLN 77 N 0.08 0.00 -0.08 1.20 7.27 -1.26 -5.03 117.38 119.56 1rw5 n GLN 77 Ca -0.12 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.84 1rw5 n GLN 77 Cb 0.72 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.27 1rw5 n GLN 77 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1rw5 n LYS 78 N 0.00 1.00 -0.30 3.69 4.81 -1.26 -4.41 118.16 121.69 1rw5 n LYS 78 Ca 0.00 0.05 0.04 0.00 -0.87 0.00 0.00 58.31 57.54 1rw5 n LYS 78 Cb 0.00 -1.37 0.19 0.00 0.02 0.00 0.00 35.03 33.87 1rw5 n LYS 78 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1rw5 h ASP 79 N 0.00 0.70 -0.04 3.14 3.58 -1.98 -0.10 116.42 121.71 1rw5 h ASP 79 Ca -0.41 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.10 1rw5 h ASP 79 Cb 1.76 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 1rw5 h ASP 79 CO -0.02 0.38 0.02 -0.26 -2.88 0.00 0.00 179.24 176.47 1rw5 h PHE 80 N 0.80 0.05 -0.66 0.28 -1.00 -1.92 -0.01 116.94 114.48 1rw5 h PHE 80 Ca 0.42 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.20 1rw5 h PHE 80 Cb 0.43 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 1rw5 h PHE 80 CO -0.06 0.12 0.40 -0.07 -1.61 0.00 0.00 178.31 177.09 1rw5 h LEU 81 N -0.03 0.79 -0.83 1.54 4.07 -1.58 -2.56 115.31 116.71 1rw5 h LEU 81 Ca 0.01 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.82 1rw5 h LEU 81 Cb 0.09 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 1rw5 h LEU 81 CO -0.00 0.62 -0.14 0.28 -1.08 0.00 0.00 178.44 178.12 1rw5 h SER 82 N 0.89 0.72 -0.47 -0.43 0.02 -0.84 -3.03 113.55 110.41 1rw5 h SER 82 Ca 0.24 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1rw5 h SER 82 Cb -0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 1rw5 h SER 82 CO -0.04 0.88 0.08 -0.07 -1.14 0.00 0.00 176.83 176.53 1rw5 h LEU 83 N 0.66 0.80 -0.23 5.07 3.38 -0.61 -3.10 115.31 121.28 1rw5 h LEU 83 Ca 0.11 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1rw5 h LEU 83 Cb 0.61 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1rw5 h LEU 83 CO 0.04 0.82 0.10 0.40 0.09 0.00 0.00 178.44 179.89 1rw5 h ILE 84 N 0.81 0.97 -0.65 1.22 2.04 -1.35 -2.18 117.51 118.37 1rw5 h ILE 84 Ca 0.17 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1rw5 h ILE 84 Cb 0.37 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1rw5 h ILE 84 CO 0.01 0.04 0.36 -0.37 0.00 0.00 0.00 178.15 178.19 1rw5 h VAL 85 N 0.22 1.20 -0.45 1.67 -1.51 -1.61 -2.32 116.25 113.44 1rw5 h VAL 85 Ca 0.10 -0.48 -0.04 0.00 -1.23 0.00 0.00 66.70 65.05 1rw5 h VAL 85 Cb 0.05 0.31 -0.02 0.00 -2.13 0.00 0.00 31.29 29.50 1rw5 h VAL 85 CO -0.09 0.22 0.14 0.28 -1.23 0.00 0.00 177.57 176.89 1rw5 h SER 86 N 0.91 0.66 0.23 4.19 0.02 -1.38 -2.35 113.55 115.83 1rw5 h SER 86 Ca 0.23 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1rw5 h SER 86 Cb 0.02 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1rw5 h SER 86 CO -0.04 0.69 -0.11 0.40 -1.14 0.00 0.00 176.83 176.63 1rw5 h ILE 87 N 0.60 0.83 -0.89 3.27 2.04 -0.99 -1.74 117.51 120.63 1rw5 h ILE 87 Ca 0.15 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.68 1rw5 h ILE 87 Cb 0.26 1.06 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 1rw5 h ILE 87 CO -0.00 0.09 0.55 -0.07 0.00 0.00 0.00 178.15 178.72 1rw5 h LEU 88 N -0.51 0.86 -0.94 1.44 3.38 -1.43 -1.50 115.31 116.61 1rw5 h LEU 88 Ca -0.03 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1rw5 h LEU 88 Cb 0.38 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1rw5 h LEU 88 CO 0.05 0.54 -0.35 0.03 0.09 0.00 0.00 178.44 178.80 1rw5 h ARG 89 N 0.99 0.34 -0.79 1.13 3.08 -1.35 -2.94 114.38 114.83 1rw5 h ARG 89 Ca 0.40 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1rw5 h ARG 89 Cb 0.22 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.21 1rw5 h ARG 89 CO -0.19 0.65 0.52 0.77 -1.07 0.00 0.00 179.97 180.65 1rw5 h SER 90 N 0.29 0.82 1.01 7.04 0.02 -0.32 -1.86 113.55 120.55 1rw5 h SER 90 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1rw5 h SER 90 Cb 0.76 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1rw5 h SER 90 CO 0.06 0.56 -0.24 0.79 -1.14 0.00 0.00 176.83 176.85 1rw5 n TRP 91 N -4.46 0.40 -0.35 3.45 7.02 -1.12 -3.87 117.44 118.52 1rw5 n TRP 91 Ca 0.10 0.12 0.03 0.00 -1.02 0.00 0.00 57.50 56.73 1rw5 n TRP 91 Cb 0.13 -0.62 0.19 0.00 -2.42 0.00 0.00 31.31 28.60 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 1.01 0.14 -0.99 -0.73 -1.24 -1.69 115.58 112.08 1rw5 h ASN 92 Ca 0.00 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1rw5 h ASN 92 Cb 0.63 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1rw5 h ASN 92 CO 0.00 0.64 -0.07 -0.08 -0.37 0.00 0.00 177.43 177.56 1rw5 h GLU 93 N 1.14 -0.18 -1.00 6.67 4.57 -1.70 -3.19 114.58 120.89 1rw5 h GLU 93 Ca 0.42 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.83 1rw5 h GLU 93 Cb 0.17 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 28.70 1rw5 h GLU 93 CO -0.16 0.06 0.62 -1.35 -1.18 0.00 0.00 179.01 177.00 1rw5 h PRO 94 N -1.01 0.61 -0.35 0.92 0.11 -1.70 0.16 132.00 130.73 1rw5 h PRO 94 Ca -0.02 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 1rw5 h PRO 94 Cb 0.33 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1rw5 h PRO 94 CO 0.03 0.40 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.06 1rw5 h LEU 95 N 0.63 0.58 -0.30 2.35 3.38 -1.42 -2.34 115.31 118.18 1rw5 h LEU 95 Ca 0.59 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.45 1rw5 h LEU 95 Cb 1.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1rw5 h LEU 95 CO -0.38 0.72 0.10 0.22 0.09 0.00 0.00 178.44 179.18 1rw5 h TYR 96 N 0.56 0.17 -0.30 1.13 5.03 -0.66 -1.37 116.97 121.51 1rw5 h TYR 96 Ca 0.10 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.39 1rw5 h TYR 96 Cb 0.50 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1rw5 h TYR 96 CO 0.02 0.07 0.05 0.45 -1.32 0.00 0.00 178.16 177.43 1rw5 h HIS 97 N 0.22 0.54 -0.78 -3.82 -0.00 -1.35 -1.93 115.15 108.03 1rw5 h HIS 97 Ca 0.14 -0.07 0.11 0.00 -0.00 0.00 0.00 60.37 60.54 1rw5 h HIS 97 Cb 0.11 -0.15 -0.08 0.00 -0.00 0.00 0.00 27.41 27.30 1rw5 h HIS 97 CO -0.14 0.59 0.41 -0.07 -0.00 0.00 0.00 177.93 178.71 1rw5 h LEU 98 N 0.33 0.54 -0.57 2.43 3.38 -1.05 -0.07 115.31 120.29 1rw5 h LEU 98 Ca 0.09 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1rw5 h LEU 98 Cb 0.34 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1rw5 h LEU 98 CO 0.01 0.29 -0.06 0.58 0.09 0.00 0.00 178.44 179.35 1rw5 h VAL 99 N 0.66 1.27 0.32 1.22 2.07 -1.06 0.57 116.25 121.30 1rw5 h VAL 99 Ca 0.39 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1rw5 h VAL 99 Cb 0.44 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1rw5 h VAL 99 CO -0.29 0.43 -0.15 0.71 0.02 0.00 0.00 177.57 178.30 1rw5 h THR 100 N 0.93 0.70 -0.46 2.57 1.35 -0.40 -0.20 112.91 117.40 1rw5 h THR 100 Ca 0.15 -0.50 -0.12 0.00 -0.55 0.00 0.00 66.41 65.39 1rw5 h THR 100 Cb 0.62 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1rw5 h THR 100 CO 0.04 0.10 -0.20 -0.33 -0.25 0.00 0.00 175.52 174.88 1rw5 h GLU 101 N -0.71 0.91 -0.58 4.72 4.39 -1.10 -2.96 114.58 119.25 1rw5 h GLU 101 Ca -0.04 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.20 1rw5 h GLU 101 Cb 0.49 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1rw5 h GLU 101 CO 0.07 1.02 0.02 0.28 -1.16 0.00 0.00 179.01 179.24 1rw5 h VAL 102 N 0.79 1.26 -0.87 3.13 2.07 -0.89 -1.93 116.25 119.81 1rw5 h VAL 102 Ca 0.11 -1.10 0.10 0.00 0.82 0.00 0.00 66.70 66.63 1rw5 h VAL 102 Cb 0.75 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1rw5 h VAL 102 CO 0.06 0.40 0.56 -0.09 0.02 0.00 0.00 177.57 178.52 1rw5 h ARG 103 N 0.92 0.83 -0.49 1.57 2.43 -0.86 0.04 114.38 118.81 1rw5 h ARG 103 Ca 0.17 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1rw5 h ARG 103 Cb 0.51 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1rw5 h ARG 103 CO 0.02 0.55 0.00 0.41 -1.51 0.00 0.00 179.97 179.44 1rw5 n GLY 104 N -1.42 1.45 3.58 2.80 0.00 -0.97 -4.78 105.19 105.85 1rw5 n GLY 104 Ca 0.15 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.35 3.68 0.21 1.61 -2.45 -0.00 -4.91 119.30 116.08 1rw5 s MET 105 Ca 0.37 0.20 -0.10 0.00 -1.25 0.00 0.00 55.69 54.90 1rw5 s MET 105 Cb 0.19 -3.83 0.16 0.00 1.25 0.00 0.00 34.83 32.60 1rw5 s MET 105 CO 0.26 -0.89 1.88 0.37 1.05 0.00 0.00 175.02 177.69 1rw5 h GLN 106 N 8.57 1.02 -0.07 4.11 4.15 -1.89 0.23 115.11 131.24 1rw5 h GLN 106 Ca -0.25 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.03 1rw5 h GLN 106 Cb 1.09 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 1rw5 h GLN 106 CO 0.91 0.68 -0.32 0.93 -1.93 0.00 0.00 178.83 179.10 1rw5 h GLU 107 N 1.05 0.13 -2.17 1.69 5.08 -1.95 -3.32 114.58 115.10 1rw5 h GLU 107 Ca 0.28 -0.05 -0.58 0.00 -1.00 0.00 0.00 59.36 58.01 1rw5 h GLU 107 Cb -0.11 -0.01 -0.40 0.00 0.50 0.00 0.00 28.75 28.73 1rw5 h GLU 107 CO -0.06 0.45 -0.90 0.00 -1.00 0.00 0.00 179.01 177.50 1rw5 n ALA 108 N -2.48 3.06 -0.04 3.43 0.00 -0.47 -4.95 120.51 119.07 1rw5 n ALA 108 Ca -0.01 -3.88 -0.02 0.00 0.00 0.00 0.00 53.44 49.53 1rw5 n ALA 108 Cb 0.39 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 18.99 1rw5 n ALA 108 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rw5 h PRO 109 N 4.31 0.00 0.00 0.00 0.13 -0.70 -3.37 132.00 132.37 1rw5 h PRO 109 Ca 0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.09 1rw5 h PRO 109 Cb 0.81 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1rw5 h PRO 109 CO 0.59 0.00 -1.65 -1.91 -0.23 0.00 0.00 178.00 174.79 1rw5 n GLU 110 N -3.67 2.38 0.02 0.86 2.13 -1.26 -4.11 120.64 116.99 1rw5 n GLU 110 Ca -0.02 -0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.78 1rw5 n GLU 110 Cb 0.09 -1.24 -0.01 0.00 0.27 0.00 0.00 31.44 30.55 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rw5 h ALA 111 N 0.45 -0.70 0.00 4.31 0.00 -1.93 0.28 119.26 121.67 1rw5 h ALA 111 Ca -0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1rw5 h ALA 111 Cb 1.58 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1rw5 h ALA 111 CO 0.01 -0.71 -0.49 0.82 0.00 0.00 0.00 179.25 178.88 1rw5 h ILE 112 N -0.07 1.31 -0.35 0.00 2.04 -1.85 -2.99 117.51 115.59 1rw5 h ILE 112 Ca -0.00 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 64.10 1rw5 h ILE 112 Cb 0.06 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1rw5 h ILE 112 CO -0.01 0.48 -0.06 0.25 0.00 0.00 0.00 178.15 178.81 1rw5 h LEU 113 N 0.00 0.55 -0.78 1.44 6.46 -1.66 -1.92 115.31 119.40 1rw5 h LEU 113 Ca -0.00 -0.13 0.10 0.00 -0.12 0.00 0.00 57.88 57.73 1rw5 h LEU 113 Cb 0.89 -0.15 -0.08 0.00 -0.73 0.00 0.00 40.66 40.59 1rw5 h LEU 113 CO 0.06 0.66 0.41 0.28 -0.62 0.00 0.00 178.44 179.23 1rw5 h SER 114 N 0.54 0.55 0.86 1.25 0.02 -0.29 -0.41 113.55 116.07 1rw5 h SER 114 Ca 0.11 0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 60.89 1rw5 h SER 114 Cb 0.43 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1rw5 h SER 114 CO 0.02 0.30 -1.21 0.11 -1.14 0.00 0.00 176.83 174.91 1rw5 h LYS 115 N 0.67 0.00 -0.42 3.45 1.57 -1.67 -3.25 116.57 116.92 1rw5 h LYS 115 Ca 0.39 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.08 1rw5 h LYS 115 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1rw5 h LYS 115 CO -0.28 0.75 -0.06 0.00 -0.57 0.00 0.00 179.45 179.29 1rw5 h ALA 116 N 1.07 0.58 -0.48 3.86 0.00 -0.56 0.21 119.26 123.93 1rw5 h ALA 116 Ca -0.11 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1rw5 h ALA 116 Cb 1.80 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1rw5 h ALA 116 CO 0.10 0.42 -0.21 -0.24 0.00 0.00 0.00 179.25 179.32 1rw5 h VAL 117 N 0.62 1.27 0.00 0.00 3.04 -1.23 -3.15 116.25 116.80 1rw5 h VAL 117 Ca 0.11 -1.38 -0.18 0.00 -1.01 0.00 0.00 66.70 64.24 1rw5 h VAL 117 Cb 0.58 1.12 -0.03 0.00 -2.01 0.00 0.00 31.29 30.95 1rw5 h VAL 117 CO 0.03 0.48 -0.86 1.05 -1.01 0.00 0.00 177.57 177.26 1rw5 h GLU 118 N 0.86 0.00 -0.20 4.17 4.11 -1.57 -3.25 114.58 118.69 1rw5 h GLU 118 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 1rw5 h GLU 118 Cb 0.79 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 1rw5 h GLU 118 CO 0.07 0.86 -0.04 0.97 0.07 0.00 0.00 179.01 180.93 1rw5 h ILE 119 N 0.00 1.15 -0.05 -1.06 2.10 -0.55 -1.54 117.51 117.57 1rw5 h ILE 119 Ca -0.01 -0.63 -0.15 0.00 1.08 0.00 0.00 64.86 65.16 1rw5 h ILE 119 Cb 1.58 1.05 -0.01 0.00 -1.09 0.00 0.00 36.82 38.35 1rw5 h ILE 119 CO 0.11 0.20 -0.62 -0.08 -1.08 0.00 0.00 178.15 176.68 1rw5 h GLU 120 N 0.30 0.19 -0.15 2.19 4.81 -1.59 -2.77 114.58 117.56 1rw5 h GLU 120 Ca 0.07 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1rw5 h GLU 120 Cb 0.27 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1rw5 h GLU 120 CO 0.01 0.75 -0.16 0.93 -0.73 0.00 0.00 179.01 179.81 1rw5 h GLU 121 N 0.14 0.38 -0.21 1.92 4.39 -1.36 -2.98 114.58 116.86 1rw5 h GLU 121 Ca -0.01 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 1rw5 h GLU 121 Cb 1.13 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 1rw5 h GLU 121 CO 0.09 0.76 -0.19 1.96 -1.16 0.00 0.00 179.01 180.48 1rw5 h GLN 122 N 0.01 0.36 -0.52 2.33 7.50 -1.42 -2.51 115.11 120.86 1rw5 h GLN 122 Ca 0.02 -0.11 -0.05 0.00 0.50 0.00 0.00 58.65 59.02 1rw5 h GLN 122 Cb 0.70 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.17 1rw5 h GLN 122 CO 0.04 0.54 0.13 1.79 -1.50 0.00 0.00 178.83 179.83 1rw5 h THR 123 N 0.33 1.22 -0.06 -0.54 1.35 -1.45 -2.36 112.91 111.40 1rw5 h THR 123 Ca 0.06 -0.78 -0.19 0.00 -0.55 0.00 0.00 66.41 64.95 1rw5 h THR 123 Cb 0.53 0.69 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1rw5 h THR 123 CO 0.03 0.29 -0.76 0.11 -0.25 0.00 0.00 175.52 174.94 1rw5 h LYS 124 N 0.76 0.39 -0.37 4.72 1.57 -1.32 -2.89 116.57 119.42 1rw5 h LYS 124 Ca 0.17 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1rw5 h LYS 124 Cb 0.28 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1rw5 h LYS 124 CO -0.00 0.98 0.24 0.00 -0.57 0.00 0.00 179.45 180.10 1rw5 h ARG 125 N 0.26 0.48 -0.82 3.15 3.08 -1.04 -0.59 114.38 118.90 1rw5 h ARG 125 Ca -0.04 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1rw5 h ARG 125 Cb 1.35 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 1rw5 h ARG 125 CO 0.13 0.32 0.54 -0.07 -1.07 0.00 0.00 179.97 179.82 1rw5 h LEU 126 N 0.50 0.84 -0.16 3.04 3.38 -1.41 -1.35 115.31 120.14 1rw5 h LEU 126 Ca 0.14 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.16 1rw5 h LEU 126 Cb -0.05 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 1rw5 h LEU 126 CO -0.04 0.56 -0.23 0.25 0.09 0.00 0.00 178.44 179.07 1rw5 h LEU 127 N 0.97 -0.73 -0.61 1.67 7.12 -0.90 0.91 115.31 123.73 1rw5 h LEU 127 Ca 0.34 0.12 -0.08 0.00 0.13 0.00 0.00 57.88 58.39 1rw5 h LEU 127 Cb 0.12 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 1rw5 h LEU 127 CO -0.11 -0.28 0.07 -0.33 -0.13 0.00 0.00 178.44 177.66 1rw5 h GLU 128 N -0.28 1.04 -0.59 1.25 5.08 -1.00 0.53 114.58 120.61 1rw5 h GLU 128 Ca 0.11 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1rw5 h GLU 128 Cb 0.45 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1rw5 h GLU 128 CO -0.32 0.98 0.33 0.78 -1.00 0.00 0.00 179.01 179.78 1rw5 h GLY 129 N 0.94 0.86 1.05 -3.84 0.00 -0.30 -1.09 103.07 100.68 1rw5 h GLY 129 Ca 0.18 -0.36 -0.25 0.00 0.00 0.00 0.00 47.33 46.90 1rw5 h GLY 129 CO 0.02 0.35 -1.04 -0.33 0.00 0.00 0.00 176.54 175.54 1rw5 h MET 130 N 0.81 0.54 -0.34 4.80 2.86 0.15 -1.27 114.93 122.47 1rw5 h MET 130 Ca 0.21 -0.70 -0.01 0.00 -2.06 0.00 0.00 59.70 57.13 1rw5 h MET 130 Cb 0.01 0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1rw5 h MET 130 CO -0.04 1.30 0.15 0.93 1.06 0.00 0.00 176.91 180.31 1rw5 h GLU 131 N 0.10 0.47 0.23 1.72 5.08 0.48 0.54 114.58 123.20 1rw5 h GLU 131 Ca -0.16 -0.05 -0.35 0.00 -1.00 0.00 0.00 59.36 57.81 1rw5 h GLU 131 Cb 1.74 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.92 1rw5 h GLU 131 CO 0.20 0.38 -1.61 1.37 -1.00 0.00 0.00 179.01 178.36 1rw5 h LEU 132 N 0.47 0.75 0.12 1.33 8.10 -1.25 -2.17 115.31 122.67 1rw5 h LEU 132 Ca 0.12 -0.93 -0.01 0.00 0.11 0.00 0.00 57.88 57.18 1rw5 h LEU 132 Cb 0.08 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.06 1rw5 h LEU 132 CO -0.01 1.75 -0.06 0.40 -4.11 0.00 0.00 178.44 176.41 1rw5 h ILE 133 N 0.13 0.93 -0.64 0.15 2.04 -0.75 0.29 117.51 119.66 1rw5 h ILE 133 Ca -0.30 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1rw5 h ILE 133 Cb 2.15 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 1rw5 h ILE 133 CO 0.24 0.04 0.31 1.62 0.00 0.00 0.00 178.15 180.36 1rw5 h VAL 134 N -0.24 1.21 0.00 1.67 3.04 -0.05 0.20 116.25 122.07 1rw5 h VAL 134 Ca -0.02 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1rw5 h VAL 134 Cb 0.19 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1rw5 h VAL 134 CO 0.03 0.24 0.00 0.77 -1.01 0.00 0.00 177.57 177.60 1rw5 h SER 135 N 0.90 0.00 0.04 3.17 4.64 -0.91 -1.52 113.55 119.88 1rw5 h SER 135 Ca 0.22 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.17 1rw5 h SER 135 Cb 0.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 1rw5 h SER 135 CO -0.03 0.00 -2.35 0.00 -0.87 0.00 0.00 176.83 173.58 1rw5 n GLN 136 N -2.45 0.67 -0.10 4.77 6.02 0.05 -3.57 117.38 122.76 1rw5 n GLN 136 Ca 0.02 0.12 -0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1rw5 n GLN 136 Cb 0.28 -1.56 0.11 0.00 1.02 0.00 0.00 30.24 30.09 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 0.01 1.26 -2.75 5.09 2.07 -0.60 -3.39 116.25 117.93 1rw5 h VAL 137 Ca -0.54 -1.22 -0.53 0.00 0.82 0.00 0.00 66.70 65.24 1rw5 h VAL 137 Cb 2.04 1.07 -0.40 0.00 -1.52 0.00 0.00 31.29 32.49 1rw5 h VAL 137 CO -0.02 0.42 -0.78 -1.00 0.02 0.00 0.00 177.57 176.21 1rw5 s HIS 138 N -4.76 0.31 0.50 1.57 3.76 -0.58 -5.00 115.29 111.09 1rw5 s HIS 138 Ca -0.10 -0.89 0.33 0.00 -0.15 0.00 0.00 55.06 54.25 1rw5 s HIS 138 Cb 0.14 -0.88 1.44 0.00 1.11 0.00 0.00 32.58 34.38 1rw5 s HIS 138 CO 0.83 -0.83 1.75 -1.35 -0.85 0.00 0.00 174.74 174.29 1rw5 h PRO 139 N 8.33 0.11 -4.91 8.40 0.11 -1.77 -3.33 132.00 138.94 1rw5 h PRO 139 Ca -0.18 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.26 1rw5 h PRO 139 Cb 1.01 -0.02 -0.36 0.00 0.11 0.00 0.00 31.00 31.74 1rw5 h PRO 139 CO 0.43 0.07 -0.84 -1.21 -0.21 0.00 0.00 178.00 176.24 1rw5 s GLU 140 N -5.12 2.60 -0.01 1.05 0.41 -1.26 -4.98 118.70 111.39 1rw5 s GLU 140 Ca -0.06 -0.94 0.06 0.00 -0.41 0.00 0.00 54.97 53.62 1rw5 s GLU 140 Cb 0.25 -2.59 -0.01 0.00 -1.78 0.00 0.00 34.13 30.00 1rw5 s GLU 140 CO 0.81 -0.34 -0.18 0.99 -0.49 0.00 0.00 175.26 176.06 1rw5 s THR 141 N 1.28 1.45 -2.08 3.63 2.01 -1.25 -5.00 115.64 115.67 1rw5 s THR 141 Ca 0.01 -0.81 0.13 0.00 0.31 0.00 0.00 61.69 61.32 1rw5 s THR 141 Cb -0.15 -1.21 0.33 0.00 0.01 0.00 0.00 72.50 71.48 1rw5 s THR 141 CO -0.10 0.39 1.34 0.29 -0.69 0.00 0.00 174.62 175.85 1rw5 n LYS 142 N 2.57 1.60 -1.52 4.92 4.01 -1.26 -4.93 118.16 123.54 1rw5 n LYS 142 Ca -0.15 -0.92 -0.39 0.00 -0.51 0.00 0.00 58.31 56.33 1rw5 n LYS 142 Cb 0.54 -1.27 0.03 0.00 -0.51 0.00 0.00 35.03 33.82 1rw5 n LYS 142 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1rw5 n GLU 143 N 0.21 0.78 -3.65 1.97 0.28 -1.26 -5.00 120.64 113.96 1rw5 n GLU 143 Ca 0.12 0.29 -0.16 0.00 -0.16 0.00 0.00 57.16 57.24 1rw5 n GLU 143 Cb 0.24 -1.83 -0.05 0.00 1.43 0.00 0.00 31.44 31.24 1rw5 n GLU 143 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1rw5 n ASN 144 N 0.41 0.57 -1.92 -1.84 3.02 -1.26 -5.03 115.26 109.21 1rw5 n ASN 144 Ca 0.11 -2.54 -0.16 0.00 -0.03 0.00 0.00 54.58 51.97 1rw5 n ASN 144 Cb 0.44 0.88 0.16 0.00 -0.61 0.00 0.00 39.78 40.65 1rw5 n ASN 144 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1rw5 n GLU 145 N -0.58 2.18 -2.22 3.52 0.28 -1.26 -4.72 120.64 117.84 1rw5 n GLU 145 Ca -0.01 -2.36 -0.42 0.00 -0.16 0.00 0.00 57.16 54.21 1rw5 n GLU 145 Cb 0.43 -1.94 -0.03 0.00 1.43 0.00 0.00 31.44 31.34 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 -2.55 3.78 0.22 3.84 -1.09 -1.26 -4.99 121.20 119.15 1rw5 s ILE 146 Ca 0.44 1.11 -0.09 0.00 -2.23 0.00 0.00 60.65 59.88 1rw5 s ILE 146 Cb 0.37 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1rw5 s ILE 146 CO 0.09 -0.03 0.34 -0.72 -1.23 0.00 0.00 174.94 173.39 1rw5 s TYR 147 N 2.82 0.60 1.10 3.97 -0.85 -1.26 -4.67 117.35 119.05 1rw5 s TYR 147 Ca 0.64 -0.92 -0.13 0.00 -0.52 0.00 0.00 57.07 56.15 1rw5 s TYR 147 Cb -0.30 -0.07 0.23 0.00 0.38 0.00 0.00 41.96 42.19 1rw5 s TYR 147 CO 0.25 -0.84 0.94 -2.30 -1.52 0.00 0.00 175.55 172.08 1rw5 n PRO 148 N -0.32 -1.82 -1.29 -3.49 -0.02 -1.26 -5.05 135.00 121.75 1rw5 n PRO 148 Ca -0.02 -0.49 -0.00 0.00 -2.02 0.00 0.00 63.50 60.97 1rw5 n PRO 148 Cb 0.63 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1rw5 n PRO 148 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1rw5 n VAL 149 N -4.71 0.00 -2.89 -1.45 0.24 -1.26 -5.00 118.33 103.26 1rw5 n VAL 149 Ca 0.05 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.92 1rw5 n VAL 149 Cb 0.54 -0.72 -0.04 0.00 -1.47 0.00 0.00 33.84 32.15 1rw5 n VAL 149 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1rw5 s TRP 150 N 0.42 3.35 0.05 6.34 -0.11 -1.26 -5.02 118.94 122.71 1rw5 s TRP 150 Ca 0.00 1.18 -0.06 0.00 1.22 0.00 0.00 56.10 58.44 1rw5 s TRP 150 Cb -0.00 -3.04 -0.01 0.00 -1.50 0.00 0.00 33.47 28.92 1rw5 s TRP 150 CO 0.00 -0.34 0.11 -1.54 -4.62 0.00 0.00 176.95 170.56 1rw5 s SER 151 N 1.27 0.18 0.05 5.86 1.04 -1.26 -5.11 113.70 115.73 1rw5 s SER 151 Ca 0.36 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1rw5 s SER 151 Cb -0.16 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1rw5 s SER 151 CO 0.09 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1rw5 n GLY 152 N 0.58 -1.94 3.36 7.32 0.00 -1.26 -4.98 105.19 108.26 1rw5 n GLY 152 Ca -0.18 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.86 -0.11 0.99 4.32 -1.26 -4.81 117.00 111.27 1rw5 n LEU 153 Ca 0.00 -0.57 0.26 0.00 -0.02 0.00 0.00 56.01 55.68 1rw5 n LEU 153 Cb 0.00 -2.81 0.72 0.00 -1.62 0.00 0.00 43.42 39.71 1rw5 n LEU 153 CO 0.00 -0.26 1.24 -0.65 -1.22 0.00 0.00 177.39 176.50 1rw5 h PRO 154 N -0.53 0.00 -0.93 3.23 0.11 -1.94 -3.39 132.00 128.54 1rw5 h PRO 154 Ca -0.38 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.87 1rw5 h PRO 154 Cb 1.21 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.11 1rw5 h PRO 154 CO 0.38 0.00 -0.08 -1.12 -0.21 0.00 0.00 178.00 176.97 1rw5 s SER 155 N -5.57 -1.01 0.45 -2.05 0.01 -1.26 -5.01 113.70 99.27 1rw5 s SER 155 Ca -0.05 0.79 0.11 0.00 1.31 0.00 0.00 55.95 58.11 1rw5 s SER 155 Cb 0.20 1.91 1.01 0.00 0.21 0.00 0.00 66.02 69.35 1rw5 s SER 155 CO 0.72 -0.19 2.07 -0.07 0.41 0.00 0.00 173.24 176.18 1rw5 h LEU 156 N 7.94 0.24 -1.50 2.44 -0.00 -1.98 0.22 115.31 122.67 1rw5 h LEU 156 Ca -0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1rw5 h LEU 156 Cb 1.15 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1rw5 h LEU 156 CO 0.12 0.21 0.00 0.00 -0.00 0.00 0.00 178.44 178.77 1rw5 n GLN 157 N -4.47 2.07 -1.65 1.13 1.13 -1.26 -4.89 117.38 109.45 1rw5 n GLN 157 Ca 0.00 -1.23 -0.43 0.00 -1.94 0.00 0.00 57.00 53.40 1rw5 n GLN 157 Cb 0.11 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 1rw5 n GLN 157 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 1rw5 s MET 158 N -1.64 3.21 0.44 -1.09 1.75 0.76 -4.82 119.30 117.92 1rw5 s MET 158 Ca 0.22 2.01 0.23 0.00 -1.25 0.00 0.00 55.69 56.91 1rw5 s MET 158 Cb 0.14 -4.34 0.92 0.00 2.84 0.00 0.00 34.83 34.38 1rw5 s MET 158 CO 0.12 -2.01 1.83 0.00 -0.65 0.00 0.00 175.02 174.31 1rw5 h ALA 159 N 14.57 1.04 -1.76 4.11 0.00 -1.90 -3.44 119.26 131.88 1rw5 h ALA 159 Ca -0.41 -0.22 -0.62 0.00 0.00 0.00 0.00 54.91 53.67 1rw5 h ALA 159 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rw5 h ALA 159 CO 0.97 0.30 1.35 -0.25 0.00 0.00 0.00 179.25 181.61 1rw5 n ASP 160 N -3.43 3.05 -0.11 0.00 8.00 -1.26 -4.82 116.55 117.98 1rw5 n ASP 160 Ca -0.00 0.53 -0.08 0.00 0.71 0.00 0.00 54.79 55.94 1rw5 n ASP 160 Cb 0.43 -1.42 0.07 0.00 -0.02 0.00 0.00 41.12 40.18 1rw5 n ASP 160 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1rw5 h GLU 161 N 12.37 0.84 0.37 -1.24 5.08 -1.97 0.25 114.58 130.28 1rw5 h GLU 161 Ca -0.40 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 57.62 1rw5 h GLU 161 Cb 1.27 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1rw5 h GLU 161 CO 0.97 0.96 -0.18 1.49 -1.00 0.00 0.00 179.01 181.25 1rw5 h GLU 162 N 0.74 -0.48 -0.39 2.33 4.81 -1.98 0.30 114.58 119.91 1rw5 h GLU 162 Ca 0.11 0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.24 1rw5 h GLU 162 Cb 0.70 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1rw5 h GLU 162 CO 0.05 -0.27 -0.27 1.03 -0.73 0.00 0.00 179.01 178.82 1rw5 h SER 163 N -0.59 0.92 -0.91 1.04 0.87 -1.95 -3.07 113.55 109.85 1rw5 h SER 163 Ca -0.05 -0.43 0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1rw5 h SER 163 Cb 0.44 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1rw5 h SER 163 CO 0.08 1.15 0.61 -0.09 -0.53 0.00 0.00 176.83 178.05 1rw5 h ARG 164 N 0.68 1.19 -0.64 2.24 9.65 -0.42 -1.80 114.38 125.29 1rw5 h ARG 164 Ca 0.08 -0.07 0.07 0.00 -1.10 0.00 0.00 59.98 58.95 1rw5 h ARG 164 Cb 0.85 -0.27 -0.06 0.00 -1.39 0.00 0.00 29.97 29.10 1rw5 h ARG 164 CO 0.07 0.79 0.33 -0.07 2.80 0.00 0.00 179.97 183.89 1rw5 h LEU 165 N 1.23 0.46 -1.37 3.80 4.07 -0.83 0.29 115.31 122.96 1rw5 h LEU 165 Ca 0.34 0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.41 1rw5 h LEU 165 Cb -0.12 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 41.53 1rw5 h LEU 165 CO -0.08 0.29 0.48 0.28 -1.08 0.00 0.00 178.44 178.33 1rw5 h SER 166 N 0.60 0.67 -0.97 -0.43 0.02 -1.33 0.94 113.55 113.05 1rw5 h SER 166 Ca 0.30 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.37 1rw5 h SER 166 Cb 0.24 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 1rw5 h SER 166 CO -0.21 0.44 0.62 0.00 -1.14 0.00 0.00 176.83 176.53 1rw5 h ALA 167 N 1.60 1.58 0.00 3.77 0.00 -0.01 -1.57 119.26 124.63 1rw5 h ALA 167 Ca 0.32 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 1rw5 h ALA 167 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1rw5 h ALA 167 CO -0.10 0.19 -2.01 0.66 0.00 0.00 0.00 179.25 177.98 1rw5 n TYR 168 N -4.59 0.00 -0.23 0.00 4.01 -0.51 -3.95 117.16 111.89 1rw5 n TYR 168 Ca 0.18 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.85 1rw5 n TYR 168 Cb 0.36 -0.64 0.04 0.00 -0.31 0.00 0.00 39.34 38.78 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 0.94 -0.49 -0.72 3.20 0.10 0.64 116.97 120.64 1rw5 h TYR 169 Ca -0.25 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.51 1rw5 h TYR 169 Cb 1.49 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 1rw5 h TYR 169 CO 0.00 0.71 0.05 -0.91 -1.64 0.00 0.00 178.16 176.37 1rw5 h ASN 170 N 0.90 0.79 0.13 -2.11 2.35 -1.49 -1.20 115.58 114.95 1rw5 h ASN 170 Ca 0.22 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1rw5 h ASN 170 Cb 0.12 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1rw5 h ASN 170 CO -0.03 0.87 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.49 1rw5 h LEU 171 N 0.69 -0.14 -1.05 1.61 3.38 -1.58 -2.56 115.31 115.65 1rw5 h LEU 171 Ca 0.14 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1rw5 h LEU 171 Cb 0.43 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 1rw5 h LEU 171 CO 0.01 0.24 0.62 -0.07 0.09 0.00 0.00 178.44 179.33 1rw5 h LEU 172 N -0.85 0.83 0.09 1.67 3.38 0.16 0.86 115.31 121.44 1rw5 h LEU 172 Ca -0.02 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rw5 h LEU 172 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rw5 h LEU 172 CO 0.03 0.38 -0.04 -0.74 0.09 0.00 0.00 178.44 178.15 1rw5 h HIS 173 N 0.85 -0.11 -0.08 1.13 2.76 -1.33 -1.97 115.15 116.41 1rw5 h HIS 173 Ca 0.53 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.64 1rw5 h HIS 173 Cb 0.71 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1rw5 h HIS 173 CO -0.00 0.24 -0.21 0.00 -1.30 0.00 0.00 177.93 176.66 1rw5 h LEU 175 N 0.12 1.09 0.50 0.00 6.46 0.93 0.57 115.31 124.98 1rw5 h LEU 175 Ca 0.02 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1rw5 h LEU 175 Cb 0.44 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 1rw5 h LEU 175 CO 0.03 0.82 -0.24 -0.09 -0.62 0.00 0.00 178.44 178.34 1rw5 h ARG 176 N 1.26 -0.65 -0.79 1.25 2.43 -0.54 -0.40 114.38 116.94 1rw5 h ARG 176 Ca 0.33 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.65 1rw5 h ARG 176 Cb -0.09 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 1rw5 h ARG 176 CO -0.07 -0.43 0.43 -0.09 -1.51 0.00 0.00 179.97 178.30 1rw5 h ARG 177 N -1.01 0.69 -0.60 0.20 2.43 -1.42 -1.22 114.38 113.46 1rw5 h ARG 177 Ca -0.07 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1rw5 h ARG 177 Cb 0.52 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1rw5 h ARG 177 CO 0.11 0.46 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.57 1rw5 h ASP 178 N 0.71 1.05 -0.00 -3.80 3.32 -0.93 -1.35 116.42 115.41 1rw5 h ASP 178 Ca 0.39 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1rw5 h ASP 178 Cb 0.40 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 1rw5 h ASP 178 CO -0.27 1.11 -0.02 0.28 -1.72 0.00 0.00 179.24 178.62 1rw5 h SER 179 N 0.97 0.07 -0.20 6.45 0.02 0.05 0.63 113.55 121.54 1rw5 h SER 179 Ca 0.17 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.93 1rw5 h SER 179 Cb 0.58 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.11 1rw5 h SER 179 CO 0.03 0.10 -0.60 -0.74 -1.14 0.00 0.00 176.83 174.48 1rw5 h HIS 180 N 0.07 0.98 -0.24 3.45 -0.00 -0.57 -1.25 115.15 117.61 1rw5 h HIS 180 Ca 0.02 -0.40 -0.00 0.00 -0.00 0.00 0.00 60.37 59.99 1rw5 h HIS 180 Cb 0.09 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1rw5 h HIS 180 CO 0.00 1.21 0.14 0.87 -0.00 0.00 0.00 177.93 180.15 1rw5 h LYS 181 N 0.48 0.33 -0.88 5.26 1.57 -0.05 0.90 116.57 124.18 1rw5 h LYS 181 Ca -0.02 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1rw5 h LYS 181 Cb 1.22 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 1rw5 h LYS 181 CO 0.13 0.28 0.57 0.82 -0.57 0.00 0.00 179.45 180.68 1rw5 h ILE 182 N 0.28 1.18 -0.61 1.86 2.04 -0.92 -0.86 117.51 120.48 1rw5 h ILE 182 Ca 0.08 -0.39 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 1rw5 h ILE 182 Cb 0.04 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.04 1rw5 h ILE 182 CO -0.01 0.21 -0.00 -0.78 0.00 0.00 0.00 178.15 177.56 1rw5 h ASP 183 N 1.14 1.06 -0.70 1.72 3.58 -0.37 -3.02 116.42 119.82 1rw5 h ASP 183 Ca 0.34 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1rw5 h ASP 183 Cb -0.06 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.67 1rw5 h ASP 183 CO -0.10 1.11 0.36 -1.13 -2.88 0.00 0.00 179.24 176.60 1rw5 h ASN 184 N 0.98 0.91 -0.62 2.28 -0.73 0.20 -2.57 115.58 116.02 1rw5 h ASN 184 Ca 0.17 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1rw5 h ASN 184 Cb 0.57 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 1rw5 h ASN 184 CO 0.03 0.77 0.41 1.88 -0.37 0.00 0.00 177.43 180.15 1rw5 h TYR 185 N 0.98 0.79 -0.62 0.67 0.05 -1.09 -1.45 116.97 116.29 1rw5 h TYR 185 Ca 0.24 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.03 1rw5 h TYR 185 Cb 0.09 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 1rw5 h TYR 185 CO 0.00 0.50 0.34 -0.07 -1.05 0.00 0.00 178.16 177.89 1rw5 h LEU 186 N 0.84 0.76 -0.52 3.88 3.38 -1.42 0.36 115.31 122.59 1rw5 h LEU 186 Ca 0.23 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1rw5 h LEU 186 Cb -0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1rw5 h LEU 186 CO -0.05 0.61 0.26 0.11 0.09 0.00 0.00 178.44 179.47 1rw5 h LYS 187 N 0.87 0.73 -0.18 1.13 1.79 -0.90 0.13 116.57 120.14 1rw5 h LYS 187 Ca 0.22 -0.10 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1rw5 h LYS 187 Cb 0.02 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.53 1rw5 h LYS 187 CO -0.04 0.60 -0.13 -0.07 -1.08 0.00 0.00 179.45 178.73 1rw5 h LEU 188 N 0.69 0.43 -1.71 2.94 3.38 -0.46 -2.95 115.31 117.62 1rw5 h LEU 188 Ca 0.18 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1rw5 h LEU 188 Cb 0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1rw5 h LEU 188 CO -0.02 0.78 0.24 0.25 0.09 0.00 0.00 178.44 179.78 1rw5 h LEU 189 N 0.08 0.33 -0.73 1.67 5.85 -0.07 -1.95 115.31 120.49 1rw5 h LEU 189 Ca 0.04 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1rw5 h LEU 189 Cb 0.64 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1rw5 h LEU 189 CO 0.03 0.23 0.39 0.50 -0.34 0.00 0.00 178.44 179.25 1rw5 h LYS 190 N 0.38 0.64 0.00 1.25 3.64 -0.55 0.94 116.57 122.87 1rw5 h LYS 190 Ca 0.15 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1rw5 h LYS 190 Cb 0.11 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1rw5 h LYS 190 CO -0.03 0.43 -0.11 0.00 -2.27 0.00 0.00 179.45 177.46 1rw5 n ARG 192 N -3.87 1.15 0.12 0.00 3.00 -0.13 -2.06 116.66 114.86 1rw5 n ARG 192 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.85 57.80 1rw5 n ARG 192 Cb 0.21 -1.45 0.10 0.00 0.00 0.00 0.00 32.46 31.32 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1rw5 h ILE 193 N 0.00 1.42 0.00 5.15 2.10 0.86 -3.35 117.51 123.70 1rw5 h ILE 193 Ca -0.47 -2.44 0.00 0.00 1.08 0.00 0.00 64.86 63.03 1rw5 h ILE 193 Cb 2.07 2.34 0.00 0.00 -1.09 0.00 0.00 36.82 40.15 1rw5 h ILE 193 CO 0.03 0.68 0.00 -0.38 -1.08 0.00 0.00 178.15 177.40 1rw5 n ILE 194 N -3.60 0.00 -3.13 2.19 5.41 -0.76 -4.94 119.36 114.54 1rw5 n ILE 194 Ca -0.01 -0.30 -0.14 0.00 1.00 0.00 0.00 62.75 63.31 1rw5 n ILE 194 Cb 0.71 1.37 0.06 0.00 -0.71 0.00 0.00 39.64 41.06 1rw5 n ILE 194 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1rw5 n HIS 195 N -0.06 -1.77 -4.11 1.39 -0.00 -0.87 -5.00 115.22 104.80 1rw5 n HIS 195 Ca 0.00 0.69 -0.34 0.00 -0.00 0.00 0.00 57.72 58.06 1rw5 n HIS 195 Cb 0.09 -4.02 -0.11 0.00 -0.00 0.00 0.00 29.99 25.95 1rw5 n HIS 195 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1rw5 s ASN 196 N -3.62 5.37 -0.86 0.26 2.47 -1.17 -4.99 114.94 112.40 1rw5 s ASN 196 Ca 0.19 0.01 -0.25 0.00 0.42 0.00 0.00 52.86 53.23 1rw5 s ASN 196 Cb -0.08 -1.91 0.02 0.00 -1.45 0.00 0.00 41.25 37.83 1rw5 s ASN 196 CO 0.51 0.16 1.53 0.21 -3.72 0.00 0.00 177.10 175.80 1rw5 s ASN 197 N 0.42 6.01 -0.43 -4.21 2.47 -1.26 -3.96 114.94 113.98 1rw5 s ASN 197 Ca 0.01 -0.76 0.01 0.00 0.42 0.00 0.00 52.86 52.54 1rw5 s ASN 197 Cb -0.13 -2.56 0.22 0.00 -1.45 0.00 0.00 41.25 37.33 1rw5 s ASN 197 CO 0.01 -1.93 0.95 -3.20 -3.72 0.00 0.00 177.10 169.21 1rw5 n ASN 198 N 10.38 -2.44 0.00 -4.21 5.15 -1.26 -5.11 115.26 117.78 1rw5 n ASN 198 Ca 0.23 -2.21 0.00 0.00 -0.60 0.00 0.00 54.58 52.00 1rw5 n ASN 198 Cb 0.50 1.31 0.00 0.00 -0.53 0.00 0.00 39.78 41.05 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66