#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 1.39 -0.28 1.96 0.04 -1.26 -4.99 135.00 131.86 1rw5 s PRO 2 Ca 0.00 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 1rw5 s PRO 2 Cb 0.00 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1rw5 s PRO 2 CO 0.00 -2.36 0.18 0.42 0.04 0.00 0.00 177.00 175.28 1rw5 s ILE 3 N -2.53 5.17 0.00 0.56 -1.09 -1.26 -4.62 121.20 117.44 1rw5 s ILE 3 Ca 0.68 0.09 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 1rw5 s ILE 3 Cb -0.24 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1rw5 s ILE 3 CO 0.55 0.24 0.00 0.00 -1.23 0.00 0.00 174.94 174.50 1rw5 n PRO 5 N 0.00 0.12 -0.19 0.00 -0.02 -1.26 -2.00 135.00 131.65 1rw5 n PRO 5 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1rw5 n PRO 5 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1rw5 n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rw5 n GLY 6 N 2.18 0.89 1.53 -1.23 0.00 -1.26 -4.36 105.19 102.94 1rw5 n GLY 6 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.19 0.53 3.65 -0.02 0.00 -1.25 -4.98 105.19 100.93 1rw5 n GLY 7 Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.04 3.61 0.44 4.61 0.00 -0.85 -4.87 121.76 121.65 1rw5 s ALA 8 Ca 0.03 0.24 0.11 0.00 0.00 0.00 0.00 51.96 52.35 1rw5 s ALA 8 Cb -0.02 -3.63 1.00 0.00 0.00 0.00 0.00 23.12 20.48 1rw5 s ALA 8 CO 0.10 -1.26 2.04 0.00 0.00 0.00 0.00 175.76 176.64 1rw5 h ALA 9 N 8.09 1.89 -0.99 0.00 0.00 -1.94 0.18 119.26 126.49 1rw5 h ALA 9 Ca -0.23 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.12 1rw5 h ALA 9 Cb 1.08 -0.10 -0.30 0.00 0.00 0.00 0.00 17.79 18.46 1rw5 h ALA 9 CO 0.99 0.05 0.68 2.89 0.00 0.00 0.00 179.25 183.86 1rw5 n ARG 10 N -4.48 2.33 -0.21 0.00 1.85 -1.26 -4.61 116.66 110.28 1rw5 n ARG 10 Ca 0.05 -3.07 0.16 0.00 -1.00 0.00 0.00 57.85 53.99 1rw5 n ARG 10 Cb 0.19 -2.19 0.48 0.00 -1.05 0.00 0.00 32.46 29.89 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 -5.47 2.19 0.19 0.00 -0.21 -1.26 -4.68 119.66 110.42 1rw5 s GLN 12 Ca -0.08 -0.82 0.03 0.00 0.02 0.00 0.00 55.36 54.50 1rw5 s GLN 12 Cb 0.22 -1.93 -0.05 0.00 1.00 0.00 0.00 33.01 32.25 1rw5 s GLN 12 CO 0.78 0.39 -0.00 0.14 -2.12 0.00 0.00 175.29 174.47 1rw5 s VAL 13 N -0.24 0.82 -0.04 1.09 -7.23 -1.26 -5.14 120.40 108.41 1rw5 s VAL 13 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1rw5 s VAL 13 Cb -0.12 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1rw5 s VAL 13 CO 0.02 -0.43 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.42 1rw5 s THR 14 N -3.56 3.67 0.38 5.32 2.01 -1.26 -5.00 115.64 117.19 1rw5 s THR 14 Ca 0.25 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.71 1rw5 s THR 14 Cb 0.06 -2.54 0.29 0.00 0.01 0.00 0.00 72.50 70.32 1rw5 s THR 14 CO 0.06 0.51 1.98 -0.07 -0.69 0.00 0.00 174.62 176.41 1rw5 h LEU 15 N 4.94 0.59 -0.18 4.42 3.38 -1.98 0.12 115.31 126.60 1rw5 h LEU 15 Ca -0.49 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1rw5 h LEU 15 Cb 1.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1rw5 h LEU 15 CO 0.53 0.39 0.00 -2.11 0.09 0.00 0.00 178.44 177.34 1rw5 n ARG 16 N -4.47 1.12 0.00 1.13 1.85 -1.26 -3.21 116.66 111.81 1rw5 n ARG 16 Ca 0.09 -0.17 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 1rw5 n ARG 16 Cb 0.21 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 1rw5 n ARG 16 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1rw5 n ASP 17 N -0.62 0.00 0.20 2.89 8.00 0.02 -4.23 116.55 122.81 1rw5 n ASP 17 Ca 0.15 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.73 1rw5 n ASP 17 Cb 0.11 -0.31 0.62 0.00 -0.02 0.00 0.00 41.12 41.52 1rw5 n ASP 17 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1rw5 h LEU 18 N 0.00 0.06 -0.29 0.64 3.38 -1.74 -2.09 115.31 115.28 1rw5 h LEU 18 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1rw5 h LEU 18 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1rw5 h LEU 18 CO 0.00 0.04 0.05 0.15 0.09 0.00 0.00 178.44 178.78 1rw5 h PHE 19 N 0.07 0.50 -0.94 1.13 3.57 -1.77 0.21 116.94 119.71 1rw5 h PHE 19 Ca 0.05 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1rw5 h PHE 19 Cb 0.10 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 1rw5 h PHE 19 CO -0.00 0.56 0.62 0.22 -2.23 0.00 0.00 178.31 177.48 1rw5 h ASP 20 N 0.30 1.01 -0.20 0.41 3.58 -1.56 0.22 116.42 120.18 1rw5 h ASP 20 Ca 0.09 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 1rw5 h ASP 20 Cb 0.32 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1rw5 h ASP 20 CO 0.00 0.68 -0.24 -0.09 -2.88 0.00 0.00 179.24 176.72 1rw5 h ARG 21 N 1.16 0.52 -0.04 0.28 2.43 -1.22 -2.65 114.38 114.87 1rw5 h ARG 21 Ca 0.38 -0.29 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1rw5 h ARG 21 Cb 0.05 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1rw5 h ARG 21 CO -0.12 0.88 -0.09 0.00 -1.51 0.00 0.00 179.97 179.13 1rw5 h ALA 22 N 0.64 1.78 -0.19 2.80 0.00 0.24 0.37 119.26 124.90 1rw5 h ALA 22 Ca 0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1rw5 h ALA 22 Cb 0.80 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1rw5 h ALA 22 CO 0.06 0.16 -0.18 0.28 0.00 0.00 0.00 179.25 179.57 1rw5 h VAL 23 N 0.06 1.33 -0.16 0.00 2.07 -0.42 -2.52 116.25 116.61 1rw5 h VAL 23 Ca 0.01 -1.33 -0.19 0.00 0.82 0.00 0.00 66.70 66.01 1rw5 h VAL 23 Cb 0.19 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1rw5 h VAL 23 CO 0.01 0.40 -0.66 0.58 0.02 0.00 0.00 177.57 177.92 1rw5 h VAL 24 N 0.13 1.32 -0.60 2.57 2.07 -1.07 -3.09 116.25 117.57 1rw5 h VAL 24 Ca 0.03 -1.93 0.04 0.00 0.82 0.00 0.00 66.70 65.66 1rw5 h VAL 24 Cb 0.72 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1rw5 h VAL 24 CO 0.05 0.60 0.40 0.25 0.02 0.00 0.00 177.57 178.89 1rw5 h LEU 25 N 0.45 0.58 -1.77 2.57 5.85 -0.24 -1.10 115.31 121.64 1rw5 h LEU 25 Ca -0.02 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1rw5 h LEU 25 Cb 1.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1rw5 h LEU 25 CO 0.13 0.39 -0.03 0.77 -0.34 0.00 0.00 178.44 179.36 1rw5 h SER 26 N 0.67 0.09 0.50 1.25 4.64 -1.36 -1.71 113.55 117.62 1rw5 h SER 26 Ca 0.25 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1rw5 h SER 26 Cb 0.15 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1rw5 h SER 26 CO -0.07 0.14 -0.75 -0.74 -0.87 0.00 0.00 176.83 174.54 1rw5 h HIS 27 N 0.10 0.29 -0.41 4.77 -0.00 -1.30 -3.05 115.15 115.54 1rw5 h HIS 27 Ca 0.02 -0.14 0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1rw5 h HIS 27 Cb 0.13 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 1rw5 h HIS 27 CO 0.00 0.88 0.22 -0.92 -0.00 0.00 0.00 177.93 178.11 1rw5 h TYR 28 N 0.13 0.41 -0.16 5.26 3.20 -1.18 -0.17 116.97 124.47 1rw5 h TYR 28 Ca -0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1rw5 h TYR 28 Cb 1.33 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1rw5 h TYR 28 CO 0.02 0.22 0.01 0.82 -1.64 0.00 0.00 178.16 177.60 1rw5 h ILE 29 N 0.45 1.10 -0.50 1.81 2.04 -1.51 -0.52 117.51 120.37 1rw5 h ILE 29 Ca 0.17 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1rw5 h ILE 29 Cb 0.05 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1rw5 h ILE 29 CO -0.10 0.13 0.31 -0.74 0.00 0.00 0.00 178.15 177.75 1rw5 h HIS 30 N 0.22 0.65 -0.36 1.37 2.76 -0.95 0.39 115.15 119.23 1rw5 h HIS 30 Ca 0.05 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1rw5 h HIS 30 Cb 0.14 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1rw5 h HIS 30 CO 0.00 0.43 0.09 -0.97 -1.30 0.00 0.00 177.93 176.19 1rw5 h ASN 31 N 0.67 0.54 0.44 3.26 -1.24 -0.44 0.84 115.58 119.65 1rw5 h ASN 31 Ca 0.18 -0.23 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 1rw5 h ASN 31 Cb -0.04 -0.14 -0.00 0.00 0.73 0.00 0.00 38.32 38.87 1rw5 h ASN 31 CO -0.04 0.63 -0.25 -0.07 -1.29 0.00 0.00 177.43 176.41 1rw5 h LEU 32 N 0.43 -0.62 -1.38 0.34 3.38 -0.53 0.64 115.31 117.58 1rw5 h LEU 32 Ca 0.11 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1rw5 h LEU 32 Cb 0.30 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1rw5 h LEU 32 CO 0.00 -0.41 -0.28 0.77 0.09 0.00 0.00 178.44 178.61 1rw5 h SER 33 N -0.65 0.05 0.22 -0.43 4.64 -0.17 0.87 113.55 118.08 1rw5 h SER 33 Ca -0.05 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1rw5 h SER 33 Cb 0.52 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1rw5 h SER 33 CO 0.06 0.33 -0.11 -1.28 -0.87 0.00 0.00 176.83 174.97 1rw5 h SER 34 N 0.04 -0.25 -0.36 4.97 0.87 0.13 -2.70 113.55 116.25 1rw5 h SER 34 Ca 0.01 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1rw5 h SER 34 Cb 0.52 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1rw5 h SER 34 CO 0.04 0.18 0.03 -0.33 -0.53 0.00 0.00 176.83 176.22 1rw5 h GLU 35 N -1.01 0.62 -0.61 2.24 5.08 0.24 -1.31 114.58 119.83 1rw5 h GLU 35 Ca -0.03 -0.18 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1rw5 h GLU 35 Cb 0.23 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1rw5 h GLU 35 CO 0.05 0.71 0.32 1.98 -1.00 0.00 0.00 179.01 181.07 1rw5 h MET 36 N 0.44 0.59 -0.54 2.33 4.05 -0.93 -0.07 114.93 120.80 1rw5 h MET 36 Ca 0.11 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1rw5 h MET 36 Cb 0.41 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1rw5 h MET 36 CO 0.01 0.39 0.23 0.35 0.23 0.00 0.00 176.91 178.12 1rw5 h PHE 37 N 0.60 0.81 -0.82 1.39 3.57 -1.30 -2.50 116.94 118.69 1rw5 h PHE 37 Ca 0.27 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1rw5 h PHE 37 Cb 0.18 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 1rw5 h PHE 37 CO -0.09 0.66 0.52 0.77 -2.23 0.00 0.00 178.31 177.94 1rw5 h SER 38 N 0.73 0.87 -0.80 0.41 0.02 -0.19 0.24 113.55 114.84 1rw5 h SER 38 Ca 0.18 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1rw5 h SER 38 Cb 0.18 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 1rw5 h SER 38 CO -0.02 0.59 0.49 -0.33 -1.14 0.00 0.00 176.83 176.42 1rw5 h GLU 39 N 1.02 0.87 -0.08 3.45 5.08 -0.62 -2.06 114.58 122.24 1rw5 h GLU 39 Ca 0.33 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1rw5 h GLU 39 Cb 0.02 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1rw5 h GLU 39 CO -0.12 0.58 -0.14 0.35 -1.00 0.00 0.00 179.01 178.68 1rw5 h PHE 40 N 0.90 0.29 -1.14 4.33 3.57 -0.98 -1.46 116.94 122.45 1rw5 h PHE 40 Ca 0.34 -0.10 0.32 0.00 3.53 0.00 0.00 57.97 62.06 1rw5 h PHE 40 Cb 0.14 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 1rw5 h PHE 40 CO -0.04 0.73 0.75 0.22 -2.23 0.00 0.00 178.31 177.74 1rw5 h ASP 41 N -0.23 0.31 0.05 0.41 1.82 -0.03 0.14 116.42 118.89 1rw5 h ASP 41 Ca 0.01 0.08 -0.36 0.00 -0.39 0.00 0.00 57.03 56.36 1rw5 h ASP 41 Cb 0.70 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.71 1rw5 h ASP 41 CO 0.03 0.01 -2.05 0.29 -1.61 0.00 0.00 179.24 175.91 1rw5 n LYS 42 N -4.54 0.67 0.19 0.28 4.01 -0.82 -0.42 118.16 117.53 1rw5 n LYS 42 Ca 0.28 0.30 0.05 0.00 -0.51 0.00 0.00 58.31 58.42 1rw5 n LYS 42 Cb 1.08 -1.64 0.48 0.00 -0.51 0.00 0.00 35.03 34.45 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1rw5 h ARG 43 N -0.30 0.07 0.00 1.97 3.08 -0.65 -2.87 114.38 115.68 1rw5 h ARG 43 Ca -0.49 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 1rw5 h ARG 43 Cb 1.80 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.84 1rw5 h ARG 43 CO -0.09 0.22 -1.04 0.66 -1.07 0.00 0.00 179.97 178.65 1rw5 n TYR 44 N -4.33 0.00 -1.27 3.04 4.02 0.45 -4.78 117.16 114.29 1rw5 n TYR 44 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.91 1rw5 n TYR 44 Cb 0.23 -0.03 0.21 0.00 -0.02 0.00 0.00 39.34 39.73 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 -2.28 2.31 -1.64 -0.72 -2.24 -0.84 -4.89 114.28 103.98 1rw5 n THR 45 Ca -0.01 -2.48 -0.38 0.00 -2.27 0.00 0.00 64.05 58.91 1rw5 n THR 45 Cb 0.52 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 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 -3.06 1.18 -0.44 4.78 5.04 0.43 -1.56 115.29 121.66 1rw5 s HIS 46 Ca 0.41 1.27 0.00 0.00 -1.54 0.00 0.00 55.06 55.20 1rw5 s HIS 46 Cb 0.36 -3.72 0.00 0.00 0.04 0.00 0.00 32.58 29.26 1rw5 s HIS 46 CO 0.02 -2.79 0.00 0.41 -2.34 0.00 0.00 174.74 170.04 1rw5 n GLY 47 N 5.91 0.63 0.37 1.59 0.00 -1.26 -4.92 105.19 107.51 1rw5 n GLY 47 Ca 0.33 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 1.25 0.00 1.61 2.47 -1.63 -3.46 114.38 114.63 1rw5 h ARG 48 Ca -0.09 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.55 1rw5 h ARG 48 Cb 0.41 -0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1rw5 h ARG 48 CO 0.13 0.83 0.00 0.41 0.56 0.00 0.00 179.97 181.90 1rw5 n GLY 49 N -1.39 1.64 0.37 0.04 0.00 -1.26 -4.54 105.19 100.05 1rw5 n GLY 49 Ca 0.11 -0.09 0.19 0.00 0.00 0.00 0.00 46.02 46.24 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 -3.74 1.61 -0.00 -1.98 -3.40 116.94 109.43 1rw5 h PHE 50 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.97 57.45 1rw5 h PHE 50 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 35.95 36.00 1rw5 h PHE 50 CO 0.00 0.00 0.63 0.96 -0.00 0.00 0.00 178.31 179.90 1rw5 s ILE 51 N -4.94 2.88 -0.08 0.88 -4.36 -1.26 -5.01 121.20 109.30 1rw5 s ILE 51 Ca -0.05 0.84 0.04 0.00 -0.26 0.00 0.00 60.65 61.21 1rw5 s ILE 51 Cb 0.19 -3.53 -0.01 0.00 1.25 0.00 0.00 42.46 40.35 1rw5 s ILE 51 CO 0.69 0.18 -0.20 -0.89 0.24 0.00 0.00 174.94 174.96 1rw5 s THR 52 N -0.81 2.45 0.24 8.37 2.01 -1.26 -5.01 115.64 121.62 1rw5 s THR 52 Ca 0.51 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 1rw5 s THR 52 Cb -0.39 -1.95 0.07 0.00 0.01 0.00 0.00 72.50 70.24 1rw5 s THR 52 CO 0.48 0.56 1.69 0.11 -0.69 0.00 0.00 174.62 176.77 1rw5 h LYS 53 N 6.28 0.76 -4.94 4.92 1.57 -1.96 -3.37 116.57 119.83 1rw5 h LYS 53 Ca -0.29 -0.26 -0.68 0.00 -1.87 0.00 0.00 60.65 57.54 1rw5 h LYS 53 Cb 1.20 -0.06 -0.18 0.00 0.08 0.00 0.00 32.23 33.27 1rw5 h LYS 53 CO 0.50 0.86 0.43 0.00 -0.57 0.00 0.00 179.45 180.67 1rw5 s ALA 54 N -4.75 3.36 -0.01 3.86 0.00 -1.26 -5.01 121.76 117.95 1rw5 s ALA 54 Ca -0.09 -2.35 0.06 0.00 0.00 0.00 0.00 51.96 49.59 1rw5 s ALA 54 Cb 0.14 -3.77 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 1rw5 s ALA 54 CO 0.82 -2.64 -0.20 0.42 0.00 0.00 0.00 175.76 174.16 1rw5 s ILE 55 N 2.90 1.59 -1.21 0.00 1.01 -1.26 -5.01 121.20 119.23 1rw5 s ILE 55 Ca 0.21 -0.91 0.10 0.00 0.00 0.00 0.00 60.65 60.05 1rw5 s ILE 55 Cb -0.16 -1.33 0.41 0.00 0.01 0.00 0.00 42.46 41.39 1rw5 s ILE 55 CO 0.02 0.41 1.23 0.59 0.00 0.00 0.00 174.94 177.19 1rw5 n ASN 56 N 2.47 2.95 -4.22 3.58 3.02 -1.26 -4.75 115.26 117.05 1rw5 n ASN 56 Ca -0.15 -2.28 -0.37 0.00 -0.03 0.00 0.00 54.58 51.74 1rw5 n ASN 56 Cb 0.53 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 1rw5 n ASN 56 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rw5 n SER 57 N 0.48 3.35 -4.25 6.41 7.64 -1.26 -4.88 113.62 121.12 1rw5 n SER 57 Ca 0.14 -2.75 -0.21 0.00 1.01 0.00 0.00 58.87 57.06 1rw5 n SER 57 Cb 0.58 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.10 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rw5 n HIS 59 N 1.00 0.00 0.44 0.00 8.25 -1.26 -4.48 115.22 119.17 1rw5 n HIS 59 Ca -0.19 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.40 1rw5 n HIS 59 Cb 0.54 -0.58 0.46 0.00 1.12 0.00 0.00 29.99 31.54 1rw5 n HIS 59 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1rw5 h THR 60 N 0.00 0.00 -0.38 1.59 1.35 -1.96 -3.07 112.91 110.43 1rw5 h THR 60 Ca -0.33 -0.42 0.11 0.00 -0.55 0.00 0.00 66.41 65.23 1rw5 h THR 60 Cb 1.63 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 1rw5 h THR 60 CO -0.01 0.00 0.28 0.28 -0.25 0.00 0.00 175.52 175.82 1rw5 h SER 61 N 0.00 0.00 -0.11 5.36 0.02 -1.99 0.19 113.55 117.02 1rw5 h SER 61 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1rw5 h SER 61 Cb 0.56 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1rw5 h SER 61 CO 0.00 0.00 0.12 0.77 -1.14 0.00 0.00 176.83 176.58 1rw5 h SER 62 N 0.00 0.00 -4.01 3.07 4.64 -1.84 -3.42 113.55 111.99 1rw5 h SER 62 Ca 0.18 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.97 1rw5 h SER 62 Cb 0.74 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.94 1rw5 h SER 62 CO -0.00 0.00 0.59 -0.76 -0.87 0.00 0.00 176.83 175.79 1rw5 s LEU 63 N -7.77 4.00 -1.04 5.97 2.01 0.68 -4.82 118.68 117.71 1rw5 s LEU 63 Ca -0.05 2.65 -0.12 0.00 0.01 0.00 0.00 54.13 56.61 1rw5 s LEU 63 Cb 0.15 -4.15 -0.08 0.00 0.01 0.00 0.00 46.19 42.13 1rw5 s LEU 63 CO 0.56 -1.22 2.19 0.00 1.01 0.00 0.00 176.35 178.89 1rw5 n ALA 64 N -0.56 4.78 -1.81 4.21 0.00 -1.26 -4.91 120.51 120.96 1rw5 n ALA 64 Ca 0.08 -2.86 -0.31 0.00 0.00 0.00 0.00 53.44 50.35 1rw5 n ALA 64 Cb 0.45 -3.32 0.02 0.00 0.00 0.00 0.00 19.45 16.60 1rw5 n ALA 64 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1rw5 s THR 65 N 3.70 4.57 0.22 0.00 -4.23 -1.26 -4.97 115.64 113.66 1rw5 s THR 65 Ca 0.50 0.84 -0.32 0.00 -1.18 0.00 0.00 61.69 61.54 1rw5 s THR 65 Cb 0.13 -3.77 -0.13 0.00 1.34 0.00 0.00 72.50 70.07 1rw5 s THR 65 CO 0.00 -1.08 1.53 -0.81 -0.54 0.00 0.00 174.62 173.72 1rw5 n PRO 66 N -2.79 2.27 -0.16 3.99 -0.04 -1.26 -4.89 135.00 132.11 1rw5 n PRO 66 Ca 0.06 0.81 -0.06 0.00 -0.04 0.00 0.00 63.50 64.28 1rw5 n PRO 66 Cb 0.54 -2.55 0.12 0.00 -0.04 0.00 0.00 33.50 31.57 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 5.17 0.91 -3.67 0.54 5.08 -1.93 -3.46 114.58 117.22 1rw5 h GLU 67 Ca -0.45 -0.25 -0.13 0.00 -1.00 0.00 0.00 59.36 57.53 1rw5 h GLU 67 Cb 1.25 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1rw5 h GLU 67 CO 0.83 0.88 -0.05 -0.51 -1.00 0.00 0.00 179.01 179.17 1rw5 s ASP 68 N -6.59 0.32 0.35 1.42 1.01 -1.26 -5.02 116.67 106.90 1rw5 s ASP 68 Ca -0.10 -1.19 0.03 0.00 0.71 0.00 0.00 52.55 52.00 1rw5 s ASP 68 Cb 0.15 0.68 0.65 0.00 1.01 0.00 0.00 42.92 45.41 1rw5 s ASP 68 CO 0.83 -1.33 2.00 0.11 0.21 0.00 0.00 175.17 176.98 1rw5 h LYS 69 N 2.13 0.82 0.15 8.23 1.57 -1.99 -0.97 116.57 126.51 1rw5 h LYS 69 Ca -0.28 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1rw5 h LYS 69 Cb 1.25 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 1rw5 h LYS 69 CO 0.37 0.54 -0.09 1.49 -0.57 0.00 0.00 179.45 181.19 1rw5 h GLU 70 N 0.84 -0.23 -0.65 3.15 4.81 -1.99 0.12 114.58 120.63 1rw5 h GLU 70 Ca 0.25 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 1rw5 h GLU 70 Cb -0.02 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1rw5 h GLU 70 CO -0.06 -0.15 0.13 0.37 -0.73 0.00 0.00 179.01 178.56 1rw5 h GLN 71 N -0.24 1.05 -0.85 1.92 4.15 -1.87 -1.72 115.11 117.54 1rw5 h GLN 71 Ca -0.01 -0.26 0.02 0.00 0.77 0.00 0.00 58.65 59.17 1rw5 h GLN 71 Cb 0.20 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 1rw5 h GLN 71 CO 0.02 0.94 0.56 0.00 -1.93 0.00 0.00 178.83 178.42 1rw5 h ALA 72 N 1.14 1.09 -0.93 3.38 0.00 -0.77 0.22 119.26 123.40 1rw5 h ALA 72 Ca 0.20 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1rw5 h ALA 72 Cb 0.39 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1rw5 h ALA 72 CO 0.01 0.45 0.61 0.37 0.00 0.00 0.00 179.25 180.69 1rw5 h GLN 73 N 1.12 1.19 -0.10 0.00 5.75 -0.16 0.14 115.11 123.05 1rw5 h GLN 73 Ca 0.32 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.70 1rw5 h GLN 73 Cb -0.08 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.19 1rw5 h GLN 73 CO -0.09 0.79 -0.18 1.96 -2.65 0.00 0.00 178.83 178.66 1rw5 h GLN 74 N 1.23 0.17 -6.07 1.69 4.20 0.08 -3.41 115.11 112.99 1rw5 h GLN 74 Ca 0.35 -0.04 -0.58 0.00 0.06 0.00 0.00 58.65 58.44 1rw5 h GLN 74 Cb -0.09 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 1rw5 h GLN 74 CO -0.09 0.35 -0.07 -1.64 -0.67 0.00 0.00 178.83 176.72 1rw5 s MET 75 N -4.62 4.22 -0.05 1.46 -1.94 0.51 -4.92 119.30 113.97 1rw5 s MET 75 Ca -0.05 0.65 0.02 0.00 -1.71 0.00 0.00 55.69 54.60 1rw5 s MET 75 Cb 0.15 -3.31 0.05 0.00 2.01 0.00 0.00 34.83 33.74 1rw5 s MET 75 CO 0.73 0.47 0.94 -1.71 -0.01 0.00 0.00 175.02 175.44 1rw5 n ASN 76 N 2.42 -0.92 0.00 3.03 5.15 -1.26 -4.85 115.26 118.83 1rw5 n ASN 76 Ca -0.09 -1.77 0.00 0.00 -0.60 0.00 0.00 54.58 52.12 1rw5 n ASN 76 Cb 0.51 0.31 0.00 0.00 -0.53 0.00 0.00 39.78 40.07 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 -0.21 3.87 0.17 1.20 7.27 -1.26 -4.94 117.38 123.49 1rw5 n GLN 77 Ca -0.23 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.03 1rw5 n GLN 77 Cb 0.67 0.00 0.80 0.00 2.41 0.00 0.00 30.24 34.11 1rw5 n GLN 77 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1rw5 h LYS 78 N 0.00 0.00 -0.81 3.69 1.57 -1.98 -1.54 116.57 117.49 1rw5 h LYS 78 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1rw5 h LYS 78 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1rw5 h LYS 78 CO 0.00 0.00 0.45 -0.44 -0.57 0.00 0.00 179.45 178.89 1rw5 h ASP 79 N 0.00 0.63 0.07 0.86 3.32 -1.97 0.85 116.42 120.18 1rw5 h ASP 79 Ca 0.12 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1rw5 h ASP 79 Cb 0.79 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1rw5 h ASP 79 CO -0.00 0.35 -0.03 -0.26 -1.72 0.00 0.00 179.24 177.58 1rw5 h PHE 80 N 0.75 -0.08 -0.68 4.55 -1.00 -1.63 -1.87 116.94 116.97 1rw5 h PHE 80 Ca 0.40 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 61.23 1rw5 h PHE 80 Cb 0.39 0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.92 1rw5 h PHE 80 CO -0.07 0.41 0.39 -0.07 -1.61 0.00 0.00 178.31 177.36 1rw5 h LEU 81 N -0.95 0.58 -0.51 1.54 4.07 -1.48 -2.22 115.31 116.34 1rw5 h LEU 81 Ca -0.01 0.03 -0.15 0.00 0.08 0.00 0.00 57.88 57.83 1rw5 h LEU 81 Cb 0.53 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1rw5 h LEU 81 CO 0.02 0.38 -0.37 0.28 -1.08 0.00 0.00 178.44 177.66 1rw5 h SER 82 N 0.72 0.86 -0.83 -0.43 0.02 0.62 -3.18 113.55 111.33 1rw5 h SER 82 Ca 0.30 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 1rw5 h SER 82 Cb 0.18 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1rw5 h SER 82 CO -0.18 1.14 0.39 -0.07 -1.14 0.00 0.00 176.83 176.97 1rw5 h LEU 83 N 0.67 1.09 -0.21 5.07 3.38 -0.77 -2.44 115.31 122.10 1rw5 h LEU 83 Ca 0.06 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1rw5 h LEU 83 Cb 0.93 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1rw5 h LEU 83 CO 0.09 0.93 0.08 0.40 0.09 0.00 0.00 178.44 180.02 1rw5 h ILE 84 N 1.19 0.95 -0.92 1.22 2.04 -1.41 -1.22 117.51 119.37 1rw5 h ILE 84 Ca 0.28 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.08 1rw5 h ILE 84 Cb 0.13 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1rw5 h ILE 84 CO -0.03 0.03 0.56 0.58 0.00 0.00 0.00 178.15 179.29 1rw5 h VAL 85 N 0.18 1.25 -0.24 1.67 2.07 -1.57 -2.34 116.25 117.27 1rw5 h VAL 85 Ca 0.09 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1rw5 h VAL 85 Cb 0.06 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1rw5 h VAL 85 CO -0.09 0.26 0.14 0.28 0.02 0.00 0.00 177.57 178.18 1rw5 h SER 86 N 1.26 0.29 -0.09 0.57 0.02 -0.90 -1.74 113.55 112.96 1rw5 h SER 86 Ca 0.33 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1rw5 h SER 86 Cb -0.07 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1rw5 h SER 86 CO -0.06 0.26 0.05 0.40 -1.14 0.00 0.00 176.83 176.33 1rw5 h ILE 87 N 0.29 1.06 -0.94 3.27 2.04 -0.90 -1.82 117.51 120.51 1rw5 h ILE 87 Ca 0.08 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1rw5 h ILE 87 Cb 0.02 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1rw5 h ILE 87 CO -0.02 0.05 0.55 -0.07 0.00 0.00 0.00 178.15 178.67 1rw5 h LEU 88 N 0.07 1.14 -0.74 1.44 3.38 -1.31 -2.63 115.31 116.66 1rw5 h LEU 88 Ca 0.03 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1rw5 h LEU 88 Cb 0.04 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1rw5 h LEU 88 CO -0.01 0.88 -0.40 0.03 0.09 0.00 0.00 178.44 179.03 1rw5 h ARG 89 N 1.30 0.48 -0.65 1.13 3.08 -1.15 -2.75 114.38 115.82 1rw5 h ARG 89 Ca 0.34 -0.24 0.07 0.00 0.07 0.00 0.00 59.98 60.21 1rw5 h ARG 89 Cb -0.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1rw5 h ARG 89 CO -0.06 0.81 0.43 1.03 -1.07 0.00 0.00 179.97 181.11 1rw5 h SER 90 N 0.40 0.55 0.66 7.04 0.87 -0.95 -1.38 113.55 120.74 1rw5 h SER 90 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1rw5 h SER 90 Cb 0.88 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1rw5 h SER 90 CO 0.07 0.36 -0.55 0.79 -0.53 0.00 0.00 176.83 176.97 1rw5 n TRP 91 N -4.48 0.22 -0.36 2.24 7.02 -1.12 -4.02 117.44 116.95 1rw5 n TRP 91 Ca 0.10 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 1rw5 n TRP 91 Cb 0.25 -0.43 0.16 0.00 -2.42 0.00 0.00 31.31 28.87 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 1.07 0.15 -0.99 -1.24 -0.96 -1.79 115.58 111.83 1rw5 h ASN 92 Ca 0.00 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1rw5 h ASN 92 Cb 0.60 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.41 1rw5 h ASN 92 CO 0.00 0.74 -0.07 -0.08 -1.29 0.00 0.00 177.43 176.72 1rw5 h GLU 93 N 1.24 -0.20 -0.99 6.67 4.81 -1.70 -3.19 114.58 121.22 1rw5 h GLU 93 Ca 0.39 0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.89 1rw5 h GLU 93 Cb -0.00 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.29 1rw5 h GLU 93 CO -0.12 0.05 0.57 -1.35 -0.73 0.00 0.00 179.01 177.43 1rw5 h PRO 94 N -1.01 0.50 -0.17 0.92 0.11 -1.70 0.45 132.00 131.10 1rw5 h PRO 94 Ca -0.02 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 1rw5 h PRO 94 Cb 0.34 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1rw5 h PRO 94 CO 0.03 0.33 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.92 1rw5 h LEU 95 N 0.51 0.27 -0.11 2.35 3.38 -1.43 -2.21 115.31 118.07 1rw5 h LEU 95 Ca 0.65 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.59 1rw5 h LEU 95 Cb 1.29 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.94 1rw5 h LEU 95 CO -0.51 0.46 -0.07 0.22 0.09 0.00 0.00 178.44 178.64 1rw5 h TYR 96 N 0.27 -0.16 -0.31 1.13 3.20 -0.07 -1.07 116.97 119.96 1rw5 h TYR 96 Ca 0.05 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.79 1rw5 h TYR 96 Cb 0.45 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1rw5 h TYR 96 CO 0.01 -0.11 -0.40 0.45 -1.64 0.00 0.00 178.16 176.47 1rw5 h HIS 97 N -0.07 0.89 -0.65 -3.82 3.86 -1.47 -2.06 115.15 111.83 1rw5 h HIS 97 Ca 0.07 -0.26 0.10 0.00 -1.16 0.00 0.00 60.37 59.12 1rw5 h HIS 97 Cb 0.17 -0.19 -0.08 0.00 1.06 0.00 0.00 27.41 28.37 1rw5 h HIS 97 CO -0.19 1.02 0.25 -0.07 0.86 0.00 0.00 177.93 179.80 1rw5 h LEU 98 N 0.61 0.24 -0.63 2.43 4.07 -0.89 0.83 115.31 121.97 1rw5 h LEU 98 Ca 0.05 0.09 -0.11 0.00 0.08 0.00 0.00 57.88 57.98 1rw5 h LEU 98 Cb 0.95 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 1rw5 h LEU 98 CO 0.09 0.13 -0.14 0.58 -1.08 0.00 0.00 178.44 178.02 1rw5 h VAL 99 N 0.42 1.27 -0.22 1.22 2.07 -1.05 0.22 116.25 120.18 1rw5 h VAL 99 Ca 0.33 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.54 1rw5 h VAL 99 Cb 0.43 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1rw5 h VAL 99 CO -0.33 0.44 -0.05 0.71 0.02 0.00 0.00 177.57 178.36 1rw5 h THR 100 N 0.83 1.28 -0.11 2.57 1.35 -0.14 -0.74 112.91 117.95 1rw5 h THR 100 Ca 0.13 -1.02 -0.15 0.00 -0.55 0.00 0.00 66.41 64.81 1rw5 h THR 100 Cb 0.68 1.52 0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1rw5 h THR 100 CO 0.05 0.31 -0.52 -0.33 -0.25 0.00 0.00 175.52 174.78 1rw5 h GLU 101 N 0.14 0.55 -0.67 4.72 5.08 0.62 -3.21 114.58 121.82 1rw5 h GLU 101 Ca 0.06 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 1rw5 h GLU 101 Cb 0.49 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1rw5 h GLU 101 CO 0.02 1.07 0.24 0.28 -1.00 0.00 0.00 179.01 179.61 1rw5 h VAL 102 N 0.16 1.24 -0.91 3.13 2.07 -0.59 -2.21 116.25 119.14 1rw5 h VAL 102 Ca -0.03 -0.78 0.11 0.00 0.82 0.00 0.00 66.70 66.81 1rw5 h VAL 102 Cb 1.16 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1rw5 h VAL 102 CO 0.11 0.31 0.58 -0.09 0.02 0.00 0.00 177.57 178.50 1rw5 h ARG 103 N 0.97 0.83 -0.34 1.57 2.43 -1.13 0.76 114.38 119.47 1rw5 h ARG 103 Ca 0.22 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1rw5 h ARG 103 Cb 0.23 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1rw5 h ARG 103 CO -0.01 0.55 0.00 0.41 -1.51 0.00 0.00 179.97 179.40 1rw5 n GLY 104 N -1.40 0.86 3.59 2.80 0.00 -0.87 -4.77 105.19 105.39 1rw5 n GLY 104 Ca 0.16 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.55 3.79 0.20 1.61 1.75 0.26 -4.92 119.30 120.44 1rw5 s MET 105 Ca 0.31 0.35 -0.10 0.00 -1.25 0.00 0.00 55.69 55.00 1rw5 s MET 105 Cb 0.17 -3.79 0.13 0.00 2.84 0.00 0.00 34.83 34.18 1rw5 s MET 105 CO 0.23 -0.81 1.79 1.96 -0.65 0.00 0.00 175.02 177.54 1rw5 h GLN 106 N 8.41 1.06 -0.04 4.11 4.20 -1.88 0.28 115.11 131.24 1rw5 h GLN 106 Ca -0.25 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.18 1rw5 h GLN 106 Cb 1.10 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1rw5 h GLN 106 CO 0.90 0.83 -0.52 0.93 -0.67 0.00 0.00 178.83 180.30 1rw5 h GLU 107 N 1.03 0.11 -2.07 1.46 5.08 -1.95 -3.34 114.58 114.90 1rw5 h GLU 107 Ca 0.25 -0.06 -0.57 0.00 -1.00 0.00 0.00 59.36 57.98 1rw5 h GLU 107 Cb 0.13 0.01 -0.40 0.00 0.50 0.00 0.00 28.75 28.98 1rw5 h GLU 107 CO -0.03 0.61 -0.93 0.00 -1.00 0.00 0.00 179.01 177.66 1rw5 n ALA 108 N -2.45 3.03 -0.07 3.43 0.00 -0.84 -4.92 120.51 118.69 1rw5 n ALA 108 Ca -0.02 -3.91 -0.07 0.00 0.00 0.00 0.00 53.44 49.45 1rw5 n ALA 108 Cb 0.54 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 3.96 0.00 0.00 0.00 0.13 -0.58 -3.38 132.00 132.12 1rw5 h PRO 109 Ca 0.12 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 1rw5 h PRO 109 Cb 0.80 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.90 1rw5 h PRO 109 CO 0.60 0.30 -1.51 -1.91 -0.23 0.00 0.00 178.00 175.25 1rw5 n GLU 110 N -4.64 2.51 0.00 0.86 4.07 -1.26 -4.15 120.64 118.02 1rw5 n GLU 110 Ca -0.09 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.01 1rw5 n GLU 110 Cb 0.27 -1.19 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1rw5 n ALA 111 N -2.33 -0.32 0.17 4.31 0.00 -1.26 0.26 120.51 121.34 1rw5 n ALA 111 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.33 1rw5 n ALA 111 Cb 0.73 0.16 0.29 0.00 0.00 0.00 0.00 19.45 20.63 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 1.28 -0.34 0.00 2.04 -1.86 -2.95 117.51 115.68 1rw5 h ILE 112 Ca 0.00 -1.63 -0.07 0.00 1.00 0.00 0.00 64.86 64.17 1rw5 h ILE 112 Cb 0.00 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1rw5 h ILE 112 CO 0.00 0.46 -0.07 0.25 0.00 0.00 0.00 178.15 178.79 1rw5 h LEU 113 N 0.00 0.54 -0.85 1.44 6.46 -1.68 -1.87 115.31 119.36 1rw5 h LEU 113 Ca -0.00 -0.13 0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1rw5 h LEU 113 Cb 0.85 -0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.56 1rw5 h LEU 113 CO 0.06 0.66 0.49 0.28 -0.62 0.00 0.00 178.44 179.31 1rw5 h SER 114 N 0.53 0.68 0.74 1.25 0.02 -0.00 -0.05 113.55 116.72 1rw5 h SER 114 Ca 0.10 0.06 -0.25 0.00 -0.84 0.00 0.00 61.79 60.86 1rw5 h SER 114 Cb 0.45 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1rw5 h SER 114 CO 0.02 0.37 -1.29 0.11 -1.14 0.00 0.00 176.83 174.91 1rw5 h LYS 115 N 0.79 0.08 -0.54 3.45 1.57 -1.65 -3.23 116.57 117.03 1rw5 h LYS 115 Ca 0.42 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1rw5 h LYS 115 Cb 0.44 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1rw5 h LYS 115 CO -0.27 0.94 0.09 0.00 -0.57 0.00 0.00 179.45 179.63 1rw5 h ALA 116 N 0.85 0.72 -0.44 3.86 0.00 -0.49 0.35 119.26 124.12 1rw5 h ALA 116 Ca -0.13 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1rw5 h ALA 116 Cb 1.89 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1rw5 h ALA 116 CO 0.13 0.47 -0.26 -0.24 0.00 0.00 0.00 179.25 179.35 1rw5 h VAL 117 N 0.79 1.27 0.00 0.00 3.04 -1.16 -3.11 116.25 117.08 1rw5 h VAL 117 Ca 0.17 -1.42 -0.16 0.00 -1.01 0.00 0.00 66.70 64.27 1rw5 h VAL 117 Cb 0.41 1.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.90 1rw5 h VAL 117 CO 0.01 0.48 -0.78 1.05 -1.01 0.00 0.00 177.57 177.32 1rw5 h GLU 118 N 0.79 0.00 -0.20 4.17 4.11 -1.54 -3.22 114.58 118.69 1rw5 h GLU 118 Ca 0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.45 1rw5 h GLU 118 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1rw5 h GLU 118 CO 0.07 0.78 -0.21 0.97 0.07 0.00 0.00 179.01 180.70 1rw5 h ILE 119 N 0.00 1.24 -0.09 -1.06 2.10 -0.26 -1.05 117.51 118.39 1rw5 h ILE 119 Ca -0.01 -1.08 -0.15 0.00 1.08 0.00 0.00 64.86 64.70 1rw5 h ILE 119 Cb 1.52 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 38.56 1rw5 h ILE 119 CO 0.10 0.34 -0.60 -0.08 -1.08 0.00 0.00 178.15 176.83 1rw5 h GLU 120 N 0.32 0.29 -0.11 2.19 4.81 -1.57 -2.30 114.58 118.20 1rw5 h GLU 120 Ca 0.05 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 1rw5 h GLU 120 Cb 0.55 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1rw5 h GLU 120 CO 0.04 0.81 -0.39 0.93 -0.73 0.00 0.00 179.01 179.67 1rw5 h GLU 121 N 0.22 0.46 -0.34 1.92 5.08 -1.43 -2.85 114.58 117.63 1rw5 h GLU 121 Ca -0.01 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 57.93 1rw5 h GLU 121 Cb 1.12 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1rw5 h GLU 121 CO 0.10 0.97 -0.12 1.96 -1.00 0.00 0.00 179.01 180.92 1rw5 h GLN 122 N 0.04 0.59 -0.40 2.33 1.08 -1.23 -2.15 115.11 115.38 1rw5 h GLN 122 Ca -0.02 -0.18 -0.06 0.00 -1.45 0.00 0.00 58.65 56.95 1rw5 h GLN 122 Cb 1.02 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 1rw5 h GLN 122 CO 0.08 0.70 0.00 1.79 -0.95 0.00 0.00 178.83 180.45 1rw5 h THR 123 N 0.54 1.22 -0.04 -0.54 1.35 -1.41 -2.55 112.91 111.48 1rw5 h THR 123 Ca 0.10 -0.87 -0.19 0.00 -0.55 0.00 0.00 66.41 64.89 1rw5 h THR 123 Cb 0.53 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1rw5 h THR 123 CO 0.03 0.30 -0.80 0.11 -0.25 0.00 0.00 175.52 174.91 1rw5 h LYS 124 N 0.60 0.33 -0.46 4.72 1.57 -1.22 -3.00 116.57 119.12 1rw5 h LYS 124 Ca 0.12 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1rw5 h LYS 124 Cb 0.37 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1rw5 h LYS 124 CO 0.01 0.98 0.27 -0.09 -0.57 0.00 0.00 179.45 180.05 1rw5 h ARG 125 N 0.21 0.63 -0.75 3.15 2.43 -1.01 -0.54 114.38 118.50 1rw5 h ARG 125 Ca -0.04 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1rw5 h ARG 125 Cb 1.40 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 30.77 1rw5 h ARG 125 CO 0.13 0.48 0.49 -0.07 -1.51 0.00 0.00 179.97 179.50 1rw5 h LEU 126 N 0.61 0.70 -0.25 3.80 3.38 -1.46 -0.76 115.31 121.33 1rw5 h LEU 126 Ca 0.16 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1rw5 h LEU 126 Cb 0.02 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1rw5 h LEU 126 CO -0.03 0.45 -0.15 0.25 0.09 0.00 0.00 178.44 179.05 1rw5 h LEU 127 N 0.80 -0.50 -0.48 1.67 7.12 -0.96 0.84 115.31 123.80 1rw5 h LEU 127 Ca 0.32 0.11 -0.08 0.00 0.13 0.00 0.00 57.88 58.36 1rw5 h LEU 127 Cb 0.25 0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 1rw5 h LEU 127 CO -0.11 -0.19 -0.01 -0.33 -0.13 0.00 0.00 178.44 177.67 1rw5 h GLU 128 N -0.13 0.86 -0.75 1.25 5.08 -0.91 0.85 114.58 120.83 1rw5 h GLU 128 Ca 0.14 -0.28 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1rw5 h GLU 128 Cb 0.34 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 1rw5 h GLU 128 CO -0.33 0.90 0.49 0.78 -1.00 0.00 0.00 179.01 179.85 1rw5 h GLY 129 N 0.71 1.00 0.91 -3.84 0.00 -0.11 0.75 103.07 102.50 1rw5 h GLY 129 Ca 0.14 -0.31 -0.22 0.00 0.00 0.00 0.00 47.33 46.93 1rw5 h GLY 129 CO 0.03 0.23 -0.95 -0.33 0.00 0.00 0.00 176.54 175.52 1rw5 h MET 130 N 0.78 0.44 -0.75 4.80 2.86 0.14 -2.46 114.93 120.73 1rw5 h MET 130 Ca 0.32 -0.63 -0.01 0.00 -2.06 0.00 0.00 59.70 57.33 1rw5 h MET 130 Cb 0.27 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1rw5 h MET 130 CO -0.11 1.27 0.42 0.93 1.06 0.00 0.00 176.91 180.48 1rw5 h GLU 131 N -0.09 1.04 -0.03 1.72 5.08 0.15 0.79 114.58 123.24 1rw5 h GLU 131 Ca -0.15 -0.11 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 1rw5 h GLU 131 Cb 1.69 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1rw5 h GLU 131 CO 0.18 0.75 -0.74 1.37 -1.00 0.00 0.00 179.01 179.57 1rw5 h LEU 132 N 1.05 0.22 0.35 1.33 8.10 -0.96 0.33 115.31 125.73 1rw5 h LEU 132 Ca 0.27 -0.16 -0.02 0.00 0.11 0.00 0.00 57.88 58.09 1rw5 h LEU 132 Cb 0.01 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.17 1rw5 h LEU 132 CO -0.04 0.88 -0.17 0.40 -4.11 0.00 0.00 178.44 175.40 1rw5 h ILE 133 N 0.12 0.37 -0.92 0.15 2.04 -0.72 -1.70 117.51 116.84 1rw5 h ILE 133 Ca -0.02 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1rw5 h ILE 133 Cb 1.31 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1rw5 h ILE 133 CO 0.11 0.08 0.61 1.62 0.00 0.00 0.00 178.15 180.58 1rw5 h VAL 134 N -1.01 1.21 0.00 1.67 3.04 0.49 0.90 116.25 122.55 1rw5 h VAL 134 Ca -0.05 -0.42 -0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1rw5 h VAL 134 Cb 0.50 -0.12 -0.00 0.00 -2.01 0.00 0.00 31.29 29.66 1rw5 h VAL 134 CO 0.08 0.22 -0.02 0.77 -1.01 0.00 0.00 177.57 177.61 1rw5 h SER 135 N 1.22 0.00 0.00 3.17 4.64 -0.95 0.30 113.55 121.93 1rw5 h SER 135 Ca 0.35 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.32 1rw5 h SER 135 Cb -0.09 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 61.94 1rw5 h SER 135 CO -0.09 0.02 -2.30 0.00 -0.87 0.00 0.00 176.83 173.59 1rw5 n GLN 136 N -3.13 0.58 -0.21 4.77 6.02 -0.37 -3.72 117.38 121.32 1rw5 n GLN 136 Ca -0.00 0.13 -0.09 0.00 -0.01 0.00 0.00 57.00 57.03 1rw5 n GLN 136 Cb 0.27 -1.46 0.02 0.00 1.02 0.00 0.00 30.24 30.10 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 -3.11 5.09 2.07 0.77 -3.36 116.25 118.97 1rw5 h VAL 137 Ca -0.51 -0.99 -0.62 0.00 0.82 0.00 0.00 66.70 65.41 1rw5 h VAL 137 Cb 1.80 0.75 -0.40 0.00 -1.52 0.00 0.00 31.29 31.91 1rw5 h VAL 137 CO -0.08 0.36 -0.72 -1.00 0.02 0.00 0.00 177.57 176.16 1rw5 s HIS 138 N -5.21 2.27 0.57 1.57 3.76 0.09 -4.97 115.29 113.37 1rw5 s HIS 138 Ca -0.12 -2.55 0.37 0.00 -0.15 0.00 0.00 55.06 52.61 1rw5 s HIS 138 Cb 0.13 -2.10 1.45 0.00 1.11 0.00 0.00 32.58 33.17 1rw5 s HIS 138 CO 0.83 -0.79 1.65 -1.35 -0.85 0.00 0.00 174.74 174.23 1rw5 h PRO 139 N 6.82 0.00 -5.99 8.40 0.11 -1.72 -3.38 132.00 136.25 1rw5 h PRO 139 Ca -0.03 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.39 1rw5 h PRO 139 Cb 0.93 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.73 1rw5 h PRO 139 CO 0.52 0.00 -0.87 -1.21 -0.21 0.00 0.00 178.00 176.23 1rw5 s GLU 140 N -4.75 2.59 0.01 1.05 0.41 -1.26 -4.97 118.70 111.77 1rw5 s GLU 140 Ca -0.04 -0.89 0.05 0.00 -0.41 0.00 0.00 54.97 53.68 1rw5 s GLU 140 Cb 0.21 -2.19 -0.02 0.00 -1.78 0.00 0.00 34.13 30.35 1rw5 s GLU 140 CO 0.71 0.38 -0.14 0.99 -0.49 0.00 0.00 175.26 176.71 1rw5 s THR 141 N -0.16 1.14 0.01 3.63 2.01 -1.26 -5.07 115.64 115.94 1rw5 s THR 141 Ca -0.03 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.11 1rw5 s THR 141 Cb -0.14 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1rw5 s THR 141 CO 0.04 0.20 1.09 0.11 -0.69 0.00 0.00 174.62 175.37 1rw5 h LYS 142 N 5.45 -0.31 -2.84 4.92 1.57 -2.00 -3.45 116.57 119.91 1rw5 h LYS 142 Ca -0.36 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 1rw5 h LYS 142 Cb 1.17 0.07 -0.29 0.00 0.08 0.00 0.00 32.23 33.26 1rw5 h LYS 142 CO 0.47 -0.21 -0.41 -1.83 -0.57 0.00 0.00 179.45 176.90 1rw5 s GLU 143 N -3.63 0.28 0.12 3.15 -1.05 -1.26 -5.03 118.70 111.28 1rw5 s GLU 143 Ca -0.05 0.67 0.01 0.00 -0.15 0.00 0.00 54.97 55.45 1rw5 s GLU 143 Cb 0.00 -0.06 -0.15 0.00 -0.44 0.00 0.00 34.13 33.48 1rw5 s GLU 143 CO 0.14 -0.17 1.27 -0.91 0.95 0.00 0.00 175.26 176.54 1rw5 h ASN 144 N 7.27 0.26 -3.37 0.83 2.35 -1.99 -3.42 115.58 117.52 1rw5 h ASN 144 Ca -0.37 -0.25 -0.56 0.00 -0.55 0.00 0.00 56.30 54.57 1rw5 h ASN 144 Cb 1.16 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.39 1rw5 h ASN 144 CO 0.32 1.14 1.01 -1.83 -1.65 0.00 0.00 177.43 176.41 1rw5 s GLU 145 N -2.90 3.58 -0.35 0.81 -1.05 -1.26 -4.75 118.70 112.78 1rw5 s GLU 145 Ca -0.02 0.62 0.05 0.00 -0.15 0.00 0.00 54.97 55.47 1rw5 s GLU 145 Cb 0.09 -4.00 0.17 0.00 -0.44 0.00 0.00 34.13 29.95 1rw5 s GLU 145 CO 0.85 -1.58 0.50 0.42 0.95 0.00 0.00 175.26 176.40 1rw5 s ILE 146 N 5.11 -0.72 0.13 1.83 1.01 -1.26 -5.12 121.20 122.18 1rw5 s ILE 146 Ca 0.52 -0.35 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 1rw5 s ILE 146 Cb -0.10 -0.57 -0.00 0.00 0.01 0.00 0.00 42.46 41.80 1rw5 s ILE 146 CO 0.30 -0.23 0.26 -0.72 0.00 0.00 0.00 174.94 174.55 1rw5 s TYR 147 N 2.03 0.26 0.83 3.97 -0.85 -1.26 -4.22 117.35 118.11 1rw5 s TYR 147 Ca 0.14 -0.65 -0.14 0.00 -0.52 0.00 0.00 57.07 55.90 1rw5 s TYR 147 Cb -0.10 -0.03 0.22 0.00 0.38 0.00 0.00 41.96 42.42 1rw5 s TYR 147 CO -0.14 -0.65 0.50 -2.30 -1.52 0.00 0.00 175.55 171.43 1rw5 n PRO 148 N -0.16 -3.60 -2.05 -3.49 -0.02 -1.26 -5.04 135.00 119.38 1rw5 n PRO 148 Ca -0.11 -0.84 -0.02 0.00 -2.02 0.00 0.00 63.50 60.52 1rw5 n PRO 148 Cb 0.63 -1.07 -0.00 0.00 -0.02 0.00 0.00 33.50 33.03 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 -4.59 0.00 -2.94 -1.45 0.24 -1.26 -5.01 118.33 103.32 1rw5 n VAL 149 Ca 0.08 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.83 1rw5 n VAL 149 Cb 0.34 -0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 32.59 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 -0.91 3.73 0.00 6.34 -0.11 -1.26 -4.81 118.94 121.92 1rw5 s TRP 150 Ca 0.00 1.51 0.00 0.00 1.22 0.00 0.00 56.10 58.83 1rw5 s TRP 150 Cb -0.00 -2.86 0.00 0.00 -1.50 0.00 0.00 33.47 29.11 1rw5 s TRP 150 CO 0.00 0.24 0.00 0.45 -4.62 0.00 0.00 176.95 173.02 1rw5 n SER 151 N 2.91 0.00 -3.06 5.86 2.88 -1.26 -5.13 113.62 115.82 1rw5 n SER 151 Ca -0.01 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.36 1rw5 n SER 151 Cb 0.50 0.14 0.12 0.00 -0.75 0.00 0.00 64.21 64.22 1rw5 n SER 151 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rw5 n GLY 152 N -1.35 -1.86 3.45 0.46 0.00 -1.26 -4.44 105.19 100.19 1rw5 n GLY 152 Ca 0.00 -1.60 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 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 -4.35 -4.68 0.99 4.77 -1.26 -4.86 117.00 107.61 1rw5 n LEU 153 Ca 0.09 -0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 54.84 1rw5 n LEU 153 Cb 0.32 -2.89 -0.03 0.00 -2.33 0.00 0.00 43.42 38.49 1rw5 n LEU 153 CO 0.23 0.28 1.39 -2.16 -1.33 0.00 0.00 177.39 175.80 1rw5 s PRO 154 N -5.16 4.18 -0.22 3.23 0.04 -1.26 -4.04 135.00 131.78 1rw5 s PRO 154 Ca 0.36 2.37 -0.04 0.00 0.04 0.00 0.00 61.00 63.74 1rw5 s PRO 154 Cb -0.08 -3.76 0.01 0.00 0.04 0.00 0.00 34.50 30.70 1rw5 s PRO 154 CO 0.78 -0.80 0.10 0.43 0.04 0.00 0.00 177.00 177.55 1rw5 n SER 155 N 6.22 -7.34 0.29 6.66 7.64 -1.26 -4.79 113.62 121.04 1rw5 n SER 155 Ca 0.17 0.88 0.14 0.00 1.01 0.00 0.00 58.87 61.07 1rw5 n SER 155 Cb 0.41 -3.74 0.85 0.00 -1.01 0.00 0.00 64.21 60.72 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 3.10 0.00 -5.68 -3.43 3.38 -1.97 -3.19 115.31 107.52 1rw5 h LEU 156 Ca -0.04 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.36 1rw5 h LEU 156 Cb 0.55 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.31 1rw5 h LEU 156 CO 0.08 0.02 2.93 0.00 0.09 0.00 0.00 178.44 181.56 1rw5 n GLN 157 N -3.94 2.47 -4.56 1.13 6.02 -1.26 -4.85 117.38 112.39 1rw5 n GLN 157 Ca -0.03 -1.93 -0.33 0.00 -0.01 0.00 0.00 57.00 54.70 1rw5 n GLN 157 Cb 0.10 -2.79 -0.13 0.00 1.02 0.00 0.00 30.24 28.43 1rw5 n GLN 157 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1rw5 s MET 158 N 3.45 3.50 -0.14 -1.09 -1.94 -1.21 -4.98 119.30 116.88 1rw5 s MET 158 Ca 0.52 -0.62 0.17 0.00 -1.71 0.00 0.00 55.69 54.05 1rw5 s MET 158 Cb 0.14 -2.77 0.36 0.00 2.01 0.00 0.00 34.83 34.57 1rw5 s MET 158 CO -0.02 0.19 1.25 0.00 -0.01 0.00 0.00 175.02 176.43 1rw5 n ALA 159 N 3.63 2.52 -2.39 3.03 0.00 -1.26 -4.90 120.51 121.14 1rw5 n ALA 159 Ca -0.18 -2.37 -0.40 0.00 0.00 0.00 0.00 53.44 50.49 1rw5 n ALA 159 Cb 0.52 -0.49 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.36 7.27 0.39 0.00 1.01 -1.26 -4.94 116.67 116.79 1rw5 s ASP 160 Ca 0.34 1.52 0.13 0.00 0.71 0.00 0.00 52.55 55.24 1rw5 s ASP 160 Cb 0.28 -2.49 0.80 0.00 1.01 0.00 0.00 42.92 42.52 1rw5 s ASP 160 CO 0.05 -0.01 1.88 -0.33 0.21 0.00 0.00 175.17 176.98 1rw5 h GLU 161 N 5.70 0.04 0.00 8.23 5.08 -2.00 -2.60 114.58 129.03 1rw5 h GLU 161 Ca -0.44 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 57.67 1rw5 h GLU 161 Cb 1.21 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.42 1rw5 h GLU 161 CO 0.71 0.32 -1.60 0.39 -1.00 0.00 0.00 179.01 177.84 1rw5 n GLU 162 N -4.19 0.55 -0.27 2.33 1.02 -1.26 -4.12 120.64 114.70 1rw5 n GLU 162 Ca -0.02 0.39 0.01 0.00 -0.02 0.00 0.00 57.16 57.51 1rw5 n GLU 162 Cb 0.34 -1.59 0.14 0.00 -0.02 0.00 0.00 31.44 30.31 1rw5 n GLU 162 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1rw5 h SER 163 N -1.00 0.67 -0.66 1.62 0.87 -1.98 -0.21 113.55 112.86 1rw5 h SER 163 Ca -0.37 0.03 0.10 0.00 -1.23 0.00 0.00 61.79 60.32 1rw5 h SER 163 Cb 1.25 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.07 1rw5 h SER 163 CO -0.23 0.41 0.44 -0.09 -0.53 0.00 0.00 176.83 176.83 1rw5 h ARG 164 N 0.80 0.46 -0.59 2.24 9.65 -1.68 -0.76 114.38 124.50 1rw5 h ARG 164 Ca 0.36 -0.03 0.08 0.00 -1.10 0.00 0.00 59.98 59.29 1rw5 h ARG 164 Cb 0.25 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.66 1rw5 h ARG 164 CO -0.21 0.31 0.25 -0.07 2.80 0.00 0.00 179.97 183.05 1rw5 h LEU 165 N 0.48 0.29 -1.46 3.80 3.38 -1.18 0.18 115.31 120.79 1rw5 h LEU 165 Ca 0.30 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.46 1rw5 h LEU 165 Cb 0.55 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1rw5 h LEU 165 CO -0.09 0.18 0.50 0.28 0.09 0.00 0.00 178.44 179.40 1rw5 h SER 166 N 0.45 0.52 -0.93 -0.43 0.02 -1.13 0.97 113.55 113.01 1rw5 h SER 166 Ca 0.29 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 1rw5 h SER 166 Cb 0.30 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 1rw5 h SER 166 CO -0.26 0.29 0.59 0.00 -1.14 0.00 0.00 176.83 176.31 1rw5 h ALA 167 N 1.63 1.28 0.00 3.77 0.00 -0.57 -2.00 119.26 123.37 1rw5 h ALA 167 Ca 0.37 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 1rw5 h ALA 167 Cb 0.65 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1rw5 h ALA 167 CO -0.13 0.37 -2.00 0.66 0.00 0.00 0.00 179.25 178.15 1rw5 n TYR 168 N -4.56 0.00 -0.19 0.00 4.01 -0.48 -3.82 117.16 112.13 1rw5 n TYR 168 Ca 0.14 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.80 1rw5 n TYR 168 Cb 0.18 -0.67 0.02 0.00 -0.31 0.00 0.00 39.34 38.55 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 0.81 -0.43 -0.72 5.03 0.92 0.85 116.97 123.44 1rw5 h TYR 169 Ca -0.31 -0.06 -0.09 0.00 2.58 0.00 0.00 58.73 60.85 1rw5 h TYR 169 Cb 1.63 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.66 1rw5 h TYR 169 CO 0.00 0.67 -0.10 -0.91 -1.32 0.00 0.00 178.16 176.51 1rw5 h ASN 170 N 0.72 0.82 0.19 -2.11 2.35 -1.54 -1.87 115.58 114.14 1rw5 h ASN 170 Ca 0.18 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1rw5 h ASN 170 Cb 0.21 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1rw5 h ASN 170 CO -0.01 0.99 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.59 1rw5 h LEU 171 N 0.64 -0.22 -0.88 1.61 3.38 -1.58 -2.59 115.31 115.67 1rw5 h LEU 171 Ca 0.11 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1rw5 h LEU 171 Cb 0.63 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1rw5 h LEU 171 CO 0.04 0.27 0.49 -0.07 0.09 0.00 0.00 178.44 179.26 1rw5 h LEU 172 N -1.05 0.63 0.06 1.67 3.38 0.61 0.89 115.31 121.49 1rw5 h LEU 172 Ca -0.03 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rw5 h LEU 172 Cb 0.26 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1rw5 h LEU 172 CO 0.04 0.29 -0.03 -0.74 0.09 0.00 0.00 178.44 178.09 1rw5 h HIS 173 N 0.71 -0.07 -0.13 1.13 2.76 -1.45 -1.70 115.15 116.40 1rw5 h HIS 173 Ca 0.47 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.57 1rw5 h HIS 173 Cb 0.62 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 1rw5 h HIS 173 CO -0.07 0.22 -0.24 0.00 -1.30 0.00 0.00 177.93 176.55 1rw5 h LEU 175 N 0.21 1.04 0.57 0.00 6.46 0.10 0.09 115.31 123.77 1rw5 h LEU 175 Ca 0.03 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 1rw5 h LEU 175 Cb 0.54 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1rw5 h LEU 175 CO 0.04 0.80 -0.28 -0.09 -0.62 0.00 0.00 178.44 178.29 1rw5 h ARG 176 N 1.19 -0.74 -0.90 1.25 2.43 -0.53 -1.51 114.38 115.57 1rw5 h ARG 176 Ca 0.31 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.65 1rw5 h ARG 176 Cb -0.03 0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 1rw5 h ARG 176 CO -0.06 -0.47 0.52 -0.09 -1.51 0.00 0.00 179.97 178.36 1rw5 h ARG 177 N -1.18 0.77 -0.62 0.20 2.43 -1.35 -0.59 114.38 114.05 1rw5 h ARG 177 Ca -0.08 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 58.97 1rw5 h ARG 177 Cb 0.61 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1rw5 h ARG 177 CO 0.13 0.51 0.08 -0.44 -1.51 0.00 0.00 179.97 178.74 1rw5 h ASP 178 N 0.80 0.98 0.07 -3.80 3.32 -0.99 -0.11 116.42 116.69 1rw5 h ASP 178 Ca 0.46 -0.23 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1rw5 h ASP 178 Cb 0.53 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1rw5 h ASP 178 CO -0.30 0.98 -0.11 0.28 -1.72 0.00 0.00 179.24 178.37 1rw5 h SER 179 N 0.95 0.10 -0.03 6.45 0.02 -0.04 0.43 113.55 121.43 1rw5 h SER 179 Ca 0.19 -0.02 -0.22 0.00 -0.84 0.00 0.00 61.79 60.90 1rw5 h SER 179 Cb 0.44 -0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.97 1rw5 h SER 179 CO 0.01 0.23 -0.84 -0.74 -1.14 0.00 0.00 176.83 174.35 1rw5 h HIS 180 N 0.11 0.90 -0.12 3.45 -0.00 -0.52 -1.78 115.15 117.19 1rw5 h HIS 180 Ca 0.02 -0.47 -0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1rw5 h HIS 180 Cb 0.27 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.56 1rw5 h HIS 180 CO 0.00 1.30 0.07 0.87 -0.00 0.00 0.00 177.93 180.17 1rw5 h LYS 181 N 0.25 0.16 -0.91 5.26 1.57 -0.25 0.89 116.57 123.53 1rw5 h LYS 181 Ca -0.10 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1rw5 h LYS 181 Cb 1.51 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.74 1rw5 h LYS 181 CO 0.17 0.16 0.61 0.82 -0.57 0.00 0.00 179.45 180.63 1rw5 h ILE 182 N 0.12 1.23 -0.44 1.86 2.04 -0.99 -1.02 117.51 120.31 1rw5 h ILE 182 Ca 0.04 -0.42 -0.12 0.00 1.00 0.00 0.00 64.86 65.36 1rw5 h ILE 182 Cb 0.04 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1rw5 h ILE 182 CO -0.01 0.22 -0.20 -0.78 0.00 0.00 0.00 178.15 177.38 1rw5 h ASP 183 N 1.23 0.89 -0.74 1.72 1.82 -0.49 -3.08 116.42 117.78 1rw5 h ASP 183 Ca 0.34 -0.32 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1rw5 h ASP 183 Cb -0.13 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.60 1rw5 h ASP 183 CO -0.07 1.07 0.38 -1.13 -1.61 0.00 0.00 179.24 177.88 1rw5 h ASN 184 N 0.77 0.95 -0.50 2.28 -1.24 0.20 -2.60 115.58 115.44 1rw5 h ASN 184 Ca 0.11 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.00 1rw5 h ASN 184 Cb 0.74 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 1rw5 h ASN 184 CO 0.06 0.80 0.30 1.88 -1.29 0.00 0.00 177.43 179.18 1rw5 h TYR 185 N 1.04 0.66 -0.65 0.67 0.05 -1.23 -1.49 116.97 116.01 1rw5 h TYR 185 Ca 0.26 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.03 1rw5 h TYR 185 Cb 0.08 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 1rw5 h TYR 185 CO 0.00 0.45 0.39 -0.07 -1.05 0.00 0.00 178.16 177.89 1rw5 h LEU 186 N 0.67 0.78 -0.49 3.88 3.38 -1.48 0.56 115.31 122.61 1rw5 h LEU 186 Ca 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1rw5 h LEU 186 Cb -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1rw5 h LEU 186 CO -0.03 0.60 0.26 0.11 0.09 0.00 0.00 178.44 179.47 1rw5 h LYS 187 N 0.90 0.68 -0.16 1.13 1.57 -0.96 0.47 116.57 120.20 1rw5 h LYS 187 Ca 0.24 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1rw5 h LYS 187 Cb -0.03 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1rw5 h LYS 187 CO -0.04 0.55 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.17 1rw5 h LEU 188 N 0.64 0.41 -1.68 2.94 3.38 -0.32 -2.92 115.31 117.76 1rw5 h LEU 188 Ca 0.17 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1rw5 h LEU 188 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1rw5 h LEU 188 CO -0.03 0.79 -0.07 0.25 0.09 0.00 0.00 178.44 179.47 1rw5 h LEU 189 N 0.03 0.10 -0.39 1.67 5.85 0.33 -2.97 115.31 119.94 1rw5 h LEU 189 Ca 0.03 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1rw5 h LEU 189 Cb 0.67 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1rw5 h LEU 189 CO 0.04 0.19 0.19 0.50 -0.34 0.00 0.00 178.44 179.02 1rw5 h LYS 190 N 0.11 0.38 0.00 1.25 3.64 0.15 0.87 116.57 122.96 1rw5 h LYS 190 Ca 0.03 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1rw5 h LYS 190 Cb 0.20 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1rw5 h LYS 190 CO 0.01 0.25 -0.12 0.00 -2.27 0.00 0.00 179.45 177.31 1rw5 n ARG 192 N -3.60 0.78 0.10 0.00 0.63 -0.83 -1.52 116.66 112.22 1rw5 n ARG 192 Ca -0.02 -0.03 -0.05 0.00 -0.92 0.00 0.00 57.85 56.84 1rw5 n ARG 192 Cb 0.25 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.68 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1rw5 h ILE 193 N 0.00 1.58 0.00 5.15 2.10 0.83 -3.34 117.51 123.83 1rw5 h ILE 193 Ca -0.47 -2.78 0.00 0.00 1.08 0.00 0.00 64.86 62.69 1rw5 h ILE 193 Cb 2.07 2.51 0.00 0.00 -1.09 0.00 0.00 36.82 40.30 1rw5 h ILE 193 CO 0.03 0.80 0.00 -0.38 -1.08 0.00 0.00 178.15 177.51 1rw5 n ILE 194 N -3.58 0.00 -2.83 2.19 5.41 -0.53 -4.85 119.36 115.17 1rw5 n ILE 194 Ca -0.01 -0.45 -0.14 0.00 1.00 0.00 0.00 62.75 63.15 1rw5 n ILE 194 Cb 0.79 1.08 0.03 0.00 -0.71 0.00 0.00 39.64 40.83 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 -0.19 -1.34 -3.85 1.39 8.25 -0.58 -5.00 115.22 113.90 1rw5 n HIS 195 Ca 0.00 0.40 -0.28 0.00 -0.26 0.00 0.00 57.72 57.58 1rw5 n HIS 195 Cb 0.02 -3.22 -0.03 0.00 1.12 0.00 0.00 29.99 27.88 1rw5 n HIS 195 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1rw5 s ASN 196 N -2.92 6.37 0.00 0.41 0.01 -1.04 -4.98 114.94 112.79 1rw5 s ASN 196 Ca 0.23 0.29 0.10 0.00 -0.71 0.00 0.00 52.86 52.78 1rw5 s ASN 196 Cb -0.10 -1.96 0.36 0.00 0.41 0.00 0.00 41.25 39.95 1rw5 s ASN 196 CO 0.28 0.05 1.27 0.59 -1.51 0.00 0.00 177.10 177.79 1rw5 n ASN 197 N -0.32 1.32 0.01 -1.22 3.02 -1.26 -4.06 115.26 112.74 1rw5 n ASN 197 Ca -0.05 -1.92 0.11 0.00 -0.03 0.00 0.00 54.58 52.69 1rw5 n ASN 197 Cb 0.53 -0.15 0.55 0.00 -0.61 0.00 0.00 39.78 40.10 1rw5 n ASN 197 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1rw5 h ASN 198 N 1.50 0.25 -0.02 6.41 -0.26 -1.94 -3.50 115.58 118.02 1rw5 h ASN 198 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1rw5 h ASN 198 Cb 0.34 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1rw5 h ASN 198 CO 0.00 0.16 0.00 0.00 -1.06 0.00 0.00 177.43 176.53