#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 1.97 -0.10 1.96 0.04 -1.26 -5.03 135.00 132.58 1rw5 s PRO 2 Ca 0.00 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 1rw5 s PRO 2 Cb 0.00 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1rw5 s PRO 2 CO 0.00 -1.95 -0.06 0.42 0.04 0.00 0.00 177.00 175.45 1rw5 s ILE 3 N -2.15 3.75 0.18 0.56 1.01 -1.26 -4.91 121.20 118.38 1rw5 s ILE 3 Ca 0.72 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1rw5 s ILE 3 Cb -0.27 -2.57 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1rw5 s ILE 3 CO 0.48 0.56 0.00 0.00 0.00 0.00 0.00 174.94 175.98 1rw5 n PRO 5 N -2.92 0.27 -0.08 0.00 -0.04 -1.26 -1.75 135.00 129.22 1rw5 n PRO 5 Ca 0.00 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1rw5 n PRO 5 Cb 0.00 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1rw5 n PRO 5 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rw5 n GLY 6 N 2.12 0.95 1.20 0.55 0.00 -1.26 -4.44 105.19 104.31 1rw5 n GLY 6 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.08 0.57 3.63 -0.02 0.00 -1.24 -5.00 105.19 101.04 1rw5 n GLY 7 Ca 0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.01 3.52 0.44 4.61 0.00 -0.72 -4.88 121.76 121.72 1rw5 s ALA 8 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 51.96 51.88 1rw5 s ALA 8 Cb -0.00 -3.52 0.99 0.00 0.00 0.00 0.00 23.12 20.60 1rw5 s ALA 8 CO 0.02 -1.35 2.04 0.00 0.00 0.00 0.00 175.76 176.46 1rw5 h ALA 9 N 8.07 1.89 -0.95 0.00 0.00 -1.94 0.27 119.26 126.60 1rw5 h ALA 9 Ca -0.22 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.01 1rw5 h ALA 9 Cb 1.07 -0.11 -0.27 0.00 0.00 0.00 0.00 17.79 18.48 1rw5 h ALA 9 CO 0.97 0.04 0.86 2.89 0.00 0.00 0.00 179.25 184.01 1rw5 n ARG 10 N -4.48 2.63 -0.35 0.00 1.85 -1.26 -4.67 116.66 110.38 1rw5 n ARG 10 Ca 0.05 -3.18 0.11 0.00 -1.00 0.00 0.00 57.85 53.83 1rw5 n ARG 10 Cb 0.20 -2.24 0.30 0.00 -1.05 0.00 0.00 32.46 29.67 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 -5.88 1.50 -0.06 0.00 -0.21 -1.26 -4.57 119.66 109.17 1rw5 s GLN 12 Ca -0.11 -0.69 0.05 0.00 0.02 0.00 0.00 55.36 54.63 1rw5 s GLN 12 Cb 0.24 -1.46 -0.00 0.00 1.00 0.00 0.00 33.01 32.79 1rw5 s GLN 12 CO 0.80 0.40 -0.20 0.08 -2.12 0.00 0.00 175.29 174.25 1rw5 s VAL 13 N -0.47 1.69 0.25 1.09 1.01 -1.26 -5.11 120.40 117.61 1rw5 s VAL 13 Ca 0.07 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1rw5 s VAL 13 Cb -0.07 -1.46 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 1rw5 s VAL 13 CO -0.01 0.48 1.10 -0.89 0.00 0.00 0.00 175.10 175.78 1rw5 s THR 14 N 0.11 3.61 0.26 3.92 2.01 -1.26 -4.90 115.64 119.38 1rw5 s THR 14 Ca -0.08 1.54 -0.03 0.00 0.31 0.00 0.00 61.69 63.44 1rw5 s THR 14 Cb -0.14 -3.98 0.24 0.00 0.01 0.00 0.00 72.50 68.63 1rw5 s THR 14 CO 0.04 0.34 1.83 -0.07 -0.69 0.00 0.00 174.62 176.07 1rw5 h LEU 15 N 4.22 0.82 -0.52 4.42 3.38 -1.99 -0.81 115.31 124.84 1rw5 h LEU 15 Ca -0.46 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1rw5 h LEU 15 Cb 1.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1rw5 h LEU 15 CO 0.69 0.48 0.23 -0.09 0.09 0.00 0.00 178.44 179.84 1rw5 h ARG 16 N 0.93 0.76 0.56 1.13 2.43 -1.91 -0.48 114.38 117.80 1rw5 h ARG 16 Ca 0.42 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1rw5 h ARG 16 Cb 0.34 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1rw5 h ARG 16 CO -0.23 0.65 -0.27 -0.44 -1.51 0.00 0.00 179.97 178.17 1rw5 h ASP 17 N 0.70 -0.63 -0.75 -3.80 3.32 -1.57 0.55 116.42 114.24 1rw5 h ASP 17 Ca 0.18 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1rw5 h ASP 17 Cb 0.15 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1rw5 h ASP 17 CO -0.02 -0.37 0.44 0.17 -1.72 0.00 0.00 179.24 177.74 1rw5 h LEU 18 N -0.86 0.91 -0.40 1.55 8.10 -1.25 -2.01 115.31 121.35 1rw5 h LEU 18 Ca -0.08 -0.07 -0.07 0.00 0.11 0.00 0.00 57.88 57.77 1rw5 h LEU 18 Cb 0.62 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.59 1rw5 h LEU 18 CO 0.13 0.72 -0.04 0.15 -4.11 0.00 0.00 178.44 175.28 1rw5 h PHE 19 N 1.03 0.80 -0.86 0.17 3.57 -0.99 -2.40 116.94 118.25 1rw5 h PHE 19 Ca 0.27 -0.15 0.10 0.00 3.53 0.00 0.00 57.97 61.71 1rw5 h PHE 19 Cb -0.02 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 1rw5 h PHE 19 CO -0.01 0.83 0.56 0.22 -2.23 0.00 0.00 178.31 177.68 1rw5 h ASP 20 N 0.55 0.75 -0.36 0.41 3.58 0.52 0.16 116.42 122.02 1rw5 h ASP 20 Ca 0.11 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.52 1rw5 h ASP 20 Cb 0.53 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1rw5 h ASP 20 CO 0.03 0.44 -0.02 -0.09 -2.88 0.00 0.00 179.24 176.72 1rw5 h ARG 21 N 0.83 0.65 -0.23 0.28 2.43 -1.08 -2.07 114.38 115.18 1rw5 h ARG 21 Ca 0.40 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1rw5 h ARG 21 Cb 0.44 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1rw5 h ARG 21 CO -0.17 0.77 -0.11 0.00 -1.51 0.00 0.00 179.97 178.96 1rw5 h ALA 22 N 0.86 1.40 -0.27 2.80 0.00 -0.62 0.60 119.26 124.02 1rw5 h ALA 22 Ca 0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1rw5 h ALA 22 Cb 0.49 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1rw5 h ALA 22 CO 0.02 0.41 -0.16 0.28 0.00 0.00 0.00 179.25 179.80 1rw5 h VAL 23 N 0.35 1.30 0.04 0.00 2.07 -0.46 -2.44 116.25 117.11 1rw5 h VAL 23 Ca 0.07 -1.28 -0.25 0.00 0.82 0.00 0.00 66.70 66.06 1rw5 h VAL 23 Cb 0.41 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1rw5 h VAL 23 CO 0.02 0.40 -1.06 0.58 0.02 0.00 0.00 177.57 177.54 1rw5 h VAL 24 N 0.32 1.38 -0.42 2.57 2.07 -1.11 -3.22 116.25 117.85 1rw5 h VAL 24 Ca 0.06 -2.52 0.03 0.00 0.82 0.00 0.00 66.70 65.08 1rw5 h VAL 24 Cb 0.69 2.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1rw5 h VAL 24 CO 0.05 0.76 0.28 0.25 0.02 0.00 0.00 177.57 178.93 1rw5 h LEU 25 N 0.23 0.41 -1.55 2.57 5.85 0.23 -1.48 115.31 121.57 1rw5 h LEU 25 Ca -0.11 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1rw5 h LEU 25 Cb 1.72 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1rw5 h LEU 25 CO 0.19 0.29 0.05 0.77 -0.34 0.00 0.00 178.44 179.39 1rw5 h SER 26 N 0.48 0.30 0.21 1.25 4.64 -1.44 -1.78 113.55 117.21 1rw5 h SER 26 Ca 0.17 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.33 1rw5 h SER 26 Cb 0.09 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1rw5 h SER 26 CO -0.04 0.32 -0.48 -0.74 -0.87 0.00 0.00 176.83 175.02 1rw5 h HIS 27 N 0.34 0.39 -0.11 4.77 -0.00 -1.39 -3.03 115.15 116.11 1rw5 h HIS 27 Ca 0.08 -0.12 -0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1rw5 h HIS 27 Cb 0.15 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 1rw5 h HIS 27 CO 0.00 0.74 0.06 -0.92 -0.00 0.00 0.00 177.93 177.82 1rw5 h TYR 28 N 0.26 0.15 -0.39 5.26 5.03 -1.27 -2.13 116.97 123.88 1rw5 h TYR 28 Ca 0.01 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.36 1rw5 h TYR 28 Cb 0.94 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.15 1rw5 h TYR 28 CO 0.02 0.17 0.26 0.82 -1.32 0.00 0.00 178.16 178.12 1rw5 h ILE 29 N 0.09 1.00 -0.37 1.81 2.04 -1.49 -1.30 117.51 119.30 1rw5 h ILE 29 Ca 0.04 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.81 1rw5 h ILE 29 Cb 0.07 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1rw5 h ILE 29 CO -0.01 0.07 0.14 -0.74 0.00 0.00 0.00 178.15 177.61 1rw5 h HIS 30 N 0.37 0.24 -0.47 1.37 2.76 -1.26 0.12 115.15 118.28 1rw5 h HIS 30 Ca 0.16 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1rw5 h HIS 30 Cb 0.19 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1rw5 h HIS 30 CO -0.00 0.10 0.16 -0.97 -1.30 0.00 0.00 177.93 175.92 1rw5 h ASN 31 N 0.29 0.68 0.79 3.26 -1.24 -1.11 0.51 115.58 118.77 1rw5 h ASN 31 Ca 0.17 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 1rw5 h ASN 31 Cb 0.14 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 1rw5 h ASN 31 CO -0.16 0.69 -0.49 -0.07 -1.29 0.00 0.00 177.43 176.11 1rw5 h LEU 32 N 0.63 -1.23 -1.02 0.34 3.38 -0.70 0.43 115.31 117.14 1rw5 h LEU 32 Ca 0.15 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1rw5 h LEU 32 Cb 0.25 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1rw5 h LEU 32 CO -0.01 -0.75 0.17 0.77 0.09 0.00 0.00 178.44 178.72 1rw5 h SER 33 N -1.19 0.81 0.68 -0.43 4.64 -0.78 0.21 113.55 117.49 1rw5 h SER 33 Ca -0.11 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 1rw5 h SER 33 Cb 0.96 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1rw5 h SER 33 CO 0.11 0.77 -0.33 -1.28 -0.87 0.00 0.00 176.83 175.23 1rw5 h SER 34 N 0.85 -0.77 -0.51 4.97 0.87 0.32 -2.24 113.55 117.03 1rw5 h SER 34 Ca 0.19 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 1rw5 h SER 34 Cb 0.26 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1rw5 h SER 34 CO -0.01 -0.43 -0.17 -0.33 -0.53 0.00 0.00 176.83 175.37 1rw5 h GLU 35 N -1.15 1.02 -0.70 2.24 5.08 -0.15 -2.10 114.58 118.81 1rw5 h GLU 35 Ca -0.09 -0.41 0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1rw5 h GLU 35 Cb 0.70 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1rw5 h GLU 35 CO 0.15 1.10 0.40 1.98 -1.00 0.00 0.00 179.01 181.64 1rw5 h MET 36 N 0.89 0.72 -0.22 2.33 4.05 -0.64 0.81 114.93 122.87 1rw5 h MET 36 Ca 0.12 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.43 1rw5 h MET 36 Cb 0.75 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1rw5 h MET 36 CO 0.06 0.48 -0.15 0.35 0.23 0.00 0.00 176.91 177.88 1rw5 h PHE 37 N 0.74 0.57 -0.88 1.39 3.57 -1.29 -2.50 116.94 118.53 1rw5 h PHE 37 Ca 0.31 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1rw5 h PHE 37 Cb 0.17 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 1rw5 h PHE 37 CO -0.07 0.79 0.57 0.77 -2.23 0.00 0.00 178.31 178.15 1rw5 h SER 38 N 0.18 0.97 -0.72 0.41 0.02 -0.84 0.31 113.55 113.87 1rw5 h SER 38 Ca 0.04 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1rw5 h SER 38 Cb 0.67 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1rw5 h SER 38 CO 0.04 0.68 0.39 -0.33 -1.14 0.00 0.00 176.83 176.47 1rw5 h GLU 39 N 1.13 1.01 -0.14 3.45 4.39 -0.78 -1.67 114.58 121.98 1rw5 h GLU 39 Ca 0.34 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1rw5 h GLU 39 Cb -0.04 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.41 1rw5 h GLU 39 CO -0.10 0.76 0.02 0.35 -1.16 0.00 0.00 179.01 178.87 1rw5 h PHE 40 N 0.99 0.25 -0.90 4.33 3.57 -0.83 -2.66 116.94 121.70 1rw5 h PHE 40 Ca 0.25 -0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.93 1rw5 h PHE 40 Cb 0.05 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.66 1rw5 h PHE 40 CO -0.00 0.43 0.60 0.22 -2.23 0.00 0.00 178.31 177.33 1rw5 h ASP 41 N -0.00 0.33 0.23 0.41 3.58 -0.01 0.30 116.42 121.26 1rw5 h ASP 41 Ca 0.04 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1rw5 h ASP 41 Cb 0.32 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.35 1rw5 h ASP 41 CO 0.00 0.13 -0.09 1.17 -2.88 0.00 0.00 179.24 177.57 1rw5 n LYS 42 N -4.47 0.93 -0.04 0.28 3.00 -0.67 -0.55 118.16 116.65 1rw5 n LYS 42 Ca 0.19 -0.37 -0.04 0.00 -0.00 0.00 0.00 58.31 58.10 1rw5 n LYS 42 Cb 0.75 -1.49 -0.01 0.00 0.00 0.00 0.00 35.03 34.27 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1rw5 n ARG 43 N -0.71 0.22 0.07 1.64 1.74 0.10 -4.27 116.66 115.45 1rw5 n ARG 43 Ca 0.16 0.09 0.11 0.00 -0.77 0.00 0.00 57.85 57.44 1rw5 n ARG 43 Cb 0.28 -0.86 -0.04 0.00 -1.02 0.00 0.00 32.46 30.81 1rw5 n ARG 43 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rw5 n TYR 44 N -3.32 0.72 -1.28 -1.55 4.02 -1.08 -4.21 117.16 110.46 1rw5 n TYR 44 Ca -0.06 0.21 0.05 0.00 -0.01 0.00 0.00 57.90 58.09 1rw5 n TYR 44 Cb 0.21 -0.84 0.20 0.00 -0.02 0.00 0.00 39.34 38.89 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 -2.56 2.21 -1.55 -0.72 -2.24 -1.12 -4.84 114.28 103.45 1rw5 n THR 45 Ca -0.01 -2.56 -0.17 0.00 -2.27 0.00 0.00 64.05 59.04 1rw5 n THR 45 Cb 0.55 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 1rw5 n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rw5 n HIS 46 N -1.11 1.12 -2.70 4.78 1.44 0.29 -2.26 115.22 116.78 1rw5 n HIS 46 Ca 0.22 0.00 -0.19 0.00 -2.01 0.00 0.00 57.72 55.74 1rw5 n HIS 46 Cb 0.80 -2.49 0.02 0.00 0.12 0.00 0.00 29.99 28.43 1rw5 n HIS 46 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1rw5 n GLY 47 N 6.63 -0.37 0.37 -1.39 0.00 -1.26 -4.86 105.19 104.31 1rw5 n GLY 47 Ca 0.47 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.50 1rw5 n GLY 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1rw5 h ARG 48 N -0.77 0.99 0.00 1.61 9.65 -1.78 -3.46 114.38 120.63 1rw5 h ARG 48 Ca -0.45 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1rw5 h ARG 48 Cb 1.32 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.67 1rw5 h ARG 48 CO 0.50 0.66 0.00 0.41 2.80 0.00 0.00 179.97 184.33 1rw5 n GLY 49 N -1.38 3.10 0.09 2.80 0.00 -1.26 -4.81 105.19 103.71 1rw5 n GLY 49 Ca 0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 1rw5 n GLY 49 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1rw5 h PHE 50 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -3.19 116.94 113.39 1rw5 h PHE 50 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1rw5 h PHE 50 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1rw5 h PHE 50 CO 0.00 0.83 0.00 -0.84 -0.00 0.00 0.00 178.31 178.30 1rw5 h ILE 51 N 0.00 0.00 0.00 0.88 3.07 -1.94 -3.32 117.51 116.20 1rw5 h ILE 51 Ca -0.02 -0.24 -0.57 0.00 1.55 0.00 0.00 64.86 65.57 1rw5 h ILE 51 Cb 1.65 1.19 0.02 0.00 -0.27 0.00 0.00 36.82 39.42 1rw5 h ILE 51 CO 0.11 0.00 2.70 0.35 -1.05 0.00 0.00 178.15 180.25 1rw5 n THR 52 N -2.97 2.53 -4.82 0.16 -2.24 -1.21 -4.83 114.28 100.90 1rw5 n THR 52 Ca -0.01 -1.87 -0.25 0.00 -2.27 0.00 0.00 64.05 59.66 1rw5 n THR 52 Cb 0.18 -2.33 -0.15 0.00 -2.10 0.00 0.00 70.33 65.93 1rw5 n THR 52 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1rw5 s LYS 53 N 3.90 1.44 -0.94 -0.78 2.20 -1.25 -5.04 119.74 119.27 1rw5 s LYS 53 Ca 0.51 -0.61 -0.25 0.00 -0.36 0.00 0.00 55.97 55.26 1rw5 s LYS 53 Cb 0.13 -1.37 -0.10 0.00 -1.51 0.00 0.00 37.83 34.97 1rw5 s LYS 53 CO 0.02 0.35 2.11 0.00 -0.36 0.00 0.00 175.35 177.47 1rw5 s ALA 54 N -0.35 1.23 -0.13 3.13 0.00 -1.26 -4.88 121.76 119.49 1rw5 s ALA 54 Ca 0.05 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.64 1rw5 s ALA 54 Cb -0.07 -4.60 -0.00 0.00 0.00 0.00 0.00 23.12 18.44 1rw5 s ALA 54 CO -0.00 -5.50 -0.17 0.42 0.00 0.00 0.00 175.76 170.50 1rw5 s ILE 55 N 12.60 2.58 -0.19 0.00 -1.09 -1.26 -4.98 121.20 128.86 1rw5 s ILE 55 Ca 0.78 -0.81 0.14 0.00 -2.23 0.00 0.00 60.65 58.53 1rw5 s ILE 55 Cb -0.07 -2.06 0.44 0.00 -1.58 0.00 0.00 42.46 39.18 1rw5 s ILE 55 CO 0.07 0.53 1.20 0.59 -1.23 0.00 0.00 174.94 176.09 1rw5 n ASN 56 N 3.80 2.16 -4.68 3.58 5.03 -1.26 -5.01 115.26 118.87 1rw5 n ASN 56 Ca -0.19 -3.36 -0.45 0.00 0.87 0.00 0.00 54.58 51.45 1rw5 n ASN 56 Cb 0.52 -0.44 -0.04 0.00 -1.02 0.00 0.00 39.78 38.80 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1rw5 n SER 57 N -0.68 3.49 -3.70 6.41 2.88 -1.26 -4.97 113.62 115.79 1rw5 n SER 57 Ca 0.20 1.05 -0.12 0.00 -1.33 0.00 0.00 58.87 58.67 1rw5 n SER 57 Cb 0.84 -1.47 -0.10 0.00 -0.75 0.00 0.00 64.21 62.74 1rw5 n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rw5 h HIS 59 N 6.24 0.00 0.00 0.00 3.86 -1.95 -3.23 115.15 120.07 1rw5 h HIS 59 Ca -0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.90 1rw5 h HIS 59 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1rw5 h HIS 59 CO 0.31 1.00 0.00 1.79 0.86 0.00 0.00 177.93 181.89 1rw5 h THR 60 N 0.00 0.00 -0.16 2.45 1.35 -1.96 -2.95 112.91 111.64 1rw5 h THR 60 Ca -0.06 -0.57 0.05 0.00 -0.55 0.00 0.00 66.41 65.28 1rw5 h THR 60 Cb 1.81 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.76 1rw5 h THR 60 CO 0.12 0.00 0.15 0.77 -0.25 0.00 0.00 175.52 176.31 1rw5 h SER 61 N 0.00 0.00 -0.43 5.36 4.64 -1.97 -0.32 113.55 120.83 1rw5 h SER 61 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 1rw5 h SER 61 Cb 0.60 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.67 1rw5 h SER 61 CO 0.00 0.00 0.30 0.28 -0.87 0.00 0.00 176.83 176.54 1rw5 h SER 62 N 0.00 0.10 -4.06 4.97 0.02 -1.73 -3.42 113.55 109.43 1rw5 h SER 62 Ca 0.07 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.54 1rw5 h SER 62 Cb 0.37 -0.02 0.04 0.00 0.14 0.00 0.00 62.40 62.93 1rw5 h SER 62 CO -0.00 0.06 0.41 -0.76 -1.14 0.00 0.00 176.83 175.40 1rw5 s LEU 63 N -8.98 3.86 -1.01 5.07 2.01 -0.13 -4.87 118.68 114.62 1rw5 s LEU 63 Ca -0.06 2.03 -0.14 0.00 0.01 0.00 0.00 54.13 55.97 1rw5 s LEU 63 Cb 0.19 -4.51 -0.08 0.00 0.01 0.00 0.00 46.19 41.79 1rw5 s LEU 63 CO 0.72 -0.88 2.14 0.00 1.01 0.00 0.00 176.35 179.35 1rw5 n ALA 64 N -0.94 4.58 -1.40 4.21 0.00 -1.26 -4.91 120.51 120.78 1rw5 n ALA 64 Ca 0.09 -2.93 -0.31 0.00 0.00 0.00 0.00 53.44 50.29 1rw5 n ALA 64 Cb 0.52 -3.36 0.07 0.00 0.00 0.00 0.00 19.45 16.67 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 3.87 3.64 -0.14 0.00 -4.23 -1.26 -4.93 115.64 112.58 1rw5 s THR 65 Ca 0.51 0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 61.26 1rw5 s THR 65 Cb 0.13 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 1rw5 s THR 65 CO 0.01 -0.69 1.73 -2.16 -0.54 0.00 0.00 174.62 172.97 1rw5 s PRO 66 N -4.94 3.88 0.19 3.99 0.04 -1.26 -4.89 135.00 132.01 1rw5 s PRO 66 Ca 0.60 1.96 -0.09 0.00 0.04 0.00 0.00 61.00 63.51 1rw5 s PRO 66 Cb -0.16 -4.07 0.11 0.00 0.04 0.00 0.00 34.50 30.42 1rw5 s PRO 66 CO 0.55 -1.21 1.72 1.49 0.04 0.00 0.00 177.00 179.59 1rw5 h GLU 67 N 10.80 1.09 -4.17 4.56 4.81 -1.92 -3.46 114.58 126.29 1rw5 h GLU 67 Ca -0.38 -0.24 -0.23 0.00 -0.13 0.00 0.00 59.36 58.38 1rw5 h GLU 67 Cb 1.18 -0.15 -0.10 0.00 0.63 0.00 0.00 28.75 30.30 1rw5 h GLU 67 CO 0.98 0.95 -0.29 -0.51 -0.73 0.00 0.00 179.01 179.41 1rw5 s ASP 68 N -6.36 0.59 0.28 1.04 1.01 -1.26 -5.01 116.67 106.96 1rw5 s ASP 68 Ca -0.12 -1.36 -0.03 0.00 0.71 0.00 0.00 52.55 51.75 1rw5 s ASP 68 Cb 0.14 0.58 0.39 0.00 1.01 0.00 0.00 42.92 45.05 1rw5 s ASP 68 CO 0.83 -1.15 1.94 0.11 0.21 0.00 0.00 175.17 177.11 1rw5 h LYS 69 N 2.25 1.16 -0.62 8.23 1.57 -2.00 -1.57 116.57 125.59 1rw5 h LYS 69 Ca -0.29 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1rw5 h LYS 69 Cb 1.24 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1rw5 h LYS 69 CO 0.40 0.77 0.31 1.49 -0.57 0.00 0.00 179.45 181.85 1rw5 h GLU 70 N 1.19 0.88 -0.60 3.15 4.57 -1.99 -2.11 114.58 119.67 1rw5 h GLU 70 Ca 0.35 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 1rw5 h GLU 70 Cb -0.05 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 1rw5 h GLU 70 CO -0.10 0.69 0.18 0.37 -1.18 0.00 0.00 179.01 178.98 1rw5 h GLN 71 N 0.84 0.91 -0.66 1.92 5.75 -1.77 -1.70 115.11 120.41 1rw5 h GLN 71 Ca 0.21 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1rw5 h GLN 71 Cb 0.09 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 1rw5 h GLN 71 CO -0.03 0.79 0.41 0.00 -2.65 0.00 0.00 178.83 177.35 1rw5 h ALA 72 N 1.31 0.86 -0.93 3.38 0.00 -0.67 0.32 119.26 123.53 1rw5 h ALA 72 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rw5 h ALA 72 Cb 0.27 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1rw5 h ALA 72 CO -0.01 0.17 0.58 0.37 0.00 0.00 0.00 179.25 180.36 1rw5 h GLN 73 N 0.80 1.24 -0.06 0.00 4.15 -0.83 0.06 115.11 120.47 1rw5 h GLN 73 Ca 0.26 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.54 1rw5 h GLN 73 Cb 0.02 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 1rw5 h GLN 73 CO -0.10 0.85 -0.18 1.96 -1.93 0.00 0.00 178.83 179.42 1rw5 h GLN 74 N 1.27 0.09 -7.13 1.69 4.20 -0.01 -3.43 115.11 111.80 1rw5 h GLN 74 Ca 0.34 -0.02 -0.46 0.00 0.06 0.00 0.00 58.65 58.57 1rw5 h GLN 74 Cb -0.09 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1rw5 h GLN 74 CO -0.07 0.28 0.36 -1.64 -0.67 0.00 0.00 178.83 177.09 1rw5 s MET 75 N -4.62 4.08 0.54 1.46 -1.94 0.89 -5.02 119.30 114.69 1rw5 s MET 75 Ca -0.04 1.04 -0.20 0.00 -1.71 0.00 0.00 55.69 54.78 1rw5 s MET 75 Cb 0.15 -2.16 -0.06 0.00 2.01 0.00 0.00 34.83 34.78 1rw5 s MET 75 CO 0.71 -0.16 1.12 1.21 -0.01 0.00 0.00 175.02 177.90 1rw5 s ASN 76 N -2.62 5.77 0.29 3.03 2.47 -1.26 -4.91 114.94 117.71 1rw5 s ASN 76 Ca 0.61 2.16 0.02 0.00 0.42 0.00 0.00 52.86 56.07 1rw5 s ASN 76 Cb -0.10 -2.58 0.59 0.00 -1.45 0.00 0.00 41.25 37.72 1rw5 s ASN 76 CO 0.22 -1.19 1.84 -0.61 -3.72 0.00 0.00 177.10 173.65 1rw5 h GLN 77 N 1.23 0.93 -0.60 0.43 4.15 -1.92 0.66 115.11 119.97 1rw5 h GLN 77 Ca -0.50 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 58.89 1rw5 h GLN 77 Cb 1.26 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 28.71 1rw5 h GLN 77 CO 0.57 0.61 0.40 -0.22 -1.93 0.00 0.00 178.83 178.26 1rw5 h LYS 78 N 0.95 0.71 -0.84 1.69 3.64 -2.00 -1.70 116.57 119.02 1rw5 h LYS 78 Ca 0.49 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.93 1rw5 h LYS 78 Cb 0.52 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.10 1rw5 h LYS 78 CO -0.25 0.47 0.49 0.22 -2.27 0.00 0.00 179.45 178.10 1rw5 h ASP 79 N 0.73 0.69 0.05 4.20 3.58 -1.21 0.21 116.42 124.67 1rw5 h ASP 79 Ca 0.24 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.74 1rw5 h ASP 79 Cb 0.05 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1rw5 h ASP 79 CO -0.06 0.39 -0.02 -0.26 -2.88 0.00 0.00 179.24 176.40 1rw5 h PHE 80 N 0.80 -0.06 -0.93 0.28 -1.00 -1.32 0.42 116.94 115.13 1rw5 h PHE 80 Ca 0.41 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.22 1rw5 h PHE 80 Cb 0.39 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.92 1rw5 h PHE 80 CO -0.06 0.09 0.61 -0.07 -1.61 0.00 0.00 178.31 177.27 1rw5 h LEU 81 N -0.21 1.01 -0.82 1.54 4.07 -1.16 -1.75 115.31 118.00 1rw5 h LEU 81 Ca -0.01 -0.01 -0.12 0.00 0.08 0.00 0.00 57.88 57.82 1rw5 h LEU 81 Cb 0.18 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 1rw5 h LEU 81 CO 0.01 0.70 -0.51 0.77 -1.08 0.00 0.00 178.44 178.33 1rw5 h SER 82 N 1.18 0.23 -0.49 -0.43 4.64 -0.38 -3.17 113.55 115.13 1rw5 h SER 82 Ca 0.37 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.47 1rw5 h SER 82 Cb -0.00 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1rw5 h SER 82 CO -0.12 0.70 -0.11 -0.07 -0.87 0.00 0.00 176.83 176.36 1rw5 h LEU 83 N 0.17 0.95 -0.18 5.97 3.38 -0.04 -2.78 115.31 122.78 1rw5 h LEU 83 Ca 0.01 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.66 1rw5 h LEU 83 Cb 0.95 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1rw5 h LEU 83 CO 0.08 1.09 -0.06 0.40 0.09 0.00 0.00 178.44 180.04 1rw5 h ILE 84 N 0.80 0.79 -0.87 1.22 2.04 -1.40 0.25 117.51 120.34 1rw5 h ILE 84 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1rw5 h ILE 84 Cb 0.67 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1rw5 h ILE 84 CO 0.05 0.00 0.57 0.58 0.00 0.00 0.00 178.15 179.35 1rw5 h VAL 85 N -0.02 1.21 -0.36 1.67 2.07 -1.61 -0.52 116.25 118.69 1rw5 h VAL 85 Ca 0.09 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1rw5 h VAL 85 Cb 0.16 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1rw5 h VAL 85 CO -0.20 0.21 0.16 -1.28 0.02 0.00 0.00 177.57 176.49 1rw5 h SER 86 N 1.16 0.48 0.48 0.57 0.87 -1.07 -0.87 113.55 115.17 1rw5 h SER 86 Ca 0.33 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1rw5 h SER 86 Cb -0.11 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1rw5 h SER 86 CO -0.08 0.49 -0.23 0.40 -0.53 0.00 0.00 176.83 176.88 1rw5 h ILE 87 N 0.44 0.20 -0.70 2.23 2.04 -0.55 -1.43 117.51 119.73 1rw5 h ILE 87 Ca 0.12 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.49 1rw5 h ILE 87 Cb 0.14 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1rw5 h ILE 87 CO -0.01 0.04 0.42 -0.07 0.00 0.00 0.00 178.15 178.53 1rw5 h LEU 88 N -1.10 0.66 -0.67 1.44 3.38 -1.17 -2.17 115.31 115.69 1rw5 h LEU 88 Ca -0.07 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 1rw5 h LEU 88 Cb 0.56 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1rw5 h LEU 88 CO 0.11 0.44 -0.19 -0.09 0.09 0.00 0.00 178.44 178.79 1rw5 h ARG 89 N 0.79 0.83 -0.28 1.13 2.43 -1.24 -2.85 114.38 115.20 1rw5 h ARG 89 Ca 0.30 -0.33 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1rw5 h ARG 89 Cb 0.11 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1rw5 h ARG 89 CO -0.15 0.96 0.18 1.03 -1.51 0.00 0.00 179.97 180.48 1rw5 h SER 90 N 0.73 0.32 1.47 -3.80 0.87 -0.63 -1.49 113.55 111.02 1rw5 h SER 90 Ca 0.11 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1rw5 h SER 90 Cb 0.72 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1rw5 h SER 90 CO 0.06 0.23 0.00 -0.50 -0.53 0.00 0.00 176.83 176.09 1rw5 h TRP 91 N 0.38 0.00 -0.94 2.24 4.06 -1.22 -3.30 115.95 117.17 1rw5 h TRP 91 Ca 0.10 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.16 1rw5 h TRP 91 Cb -0.04 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.05 1rw5 h TRP 91 CO 0.00 0.00 0.60 -0.97 -3.56 0.00 0.00 178.44 174.51 1rw5 h ASN 92 N 0.00 0.86 0.18 -3.49 -1.24 -1.21 -1.70 115.58 108.99 1rw5 h ASN 92 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 1rw5 h ASN 92 Cb 0.74 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.64 1rw5 h ASN 92 CO 0.00 0.49 -0.09 -0.08 -1.29 0.00 0.00 177.43 176.46 1rw5 h GLU 93 N 0.94 -0.23 -1.01 6.67 4.57 -1.73 -3.14 114.58 120.65 1rw5 h GLU 93 Ca 0.45 0.02 0.23 0.00 -1.18 0.00 0.00 59.36 58.87 1rw5 h GLU 93 Cb 0.43 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 28.96 1rw5 h GLU 93 CO -0.21 -0.03 0.61 -1.35 -1.18 0.00 0.00 179.01 176.86 1rw5 h PRO 94 N -1.03 0.59 -0.36 0.92 0.11 -1.70 0.18 132.00 130.71 1rw5 h PRO 94 Ca -0.02 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 1rw5 h PRO 94 Cb 0.32 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.28 1rw5 h PRO 94 CO 0.04 0.39 -0.11 -0.07 -0.21 0.00 0.00 178.00 178.04 1rw5 h LEU 95 N 0.61 0.62 -0.32 2.35 3.38 -1.42 -2.34 115.31 118.18 1rw5 h LEU 95 Ca 0.62 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.45 1rw5 h LEU 95 Cb 1.16 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 1rw5 h LEU 95 CO -0.42 0.76 0.10 0.22 0.09 0.00 0.00 178.44 179.19 1rw5 h TYR 96 N 0.58 0.18 -0.35 1.13 5.03 -0.58 -1.04 116.97 121.91 1rw5 h TYR 96 Ca 0.10 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.41 1rw5 h TYR 96 Cb 0.53 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.76 1rw5 h TYR 96 CO 0.02 0.07 0.14 0.45 -1.32 0.00 0.00 178.16 177.53 1rw5 h HIS 97 N 0.23 0.53 -0.83 -3.82 -0.00 -1.32 -1.40 115.15 108.55 1rw5 h HIS 97 Ca 0.15 -0.04 0.11 0.00 -0.00 0.00 0.00 60.37 60.59 1rw5 h HIS 97 Cb 0.13 -0.16 -0.08 0.00 -0.00 0.00 0.00 27.41 27.30 1rw5 h HIS 97 CO -0.15 0.49 0.46 -0.07 -0.00 0.00 0.00 177.93 178.66 1rw5 h LEU 98 N 0.42 0.62 -0.46 2.43 3.38 -0.89 0.19 115.31 121.00 1rw5 h LEU 98 Ca 0.12 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 1rw5 h LEU 98 Cb 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1rw5 h LEU 98 CO -0.01 0.33 -0.11 0.58 0.09 0.00 0.00 178.44 179.32 1rw5 h VAL 99 N 0.73 1.27 0.01 1.22 2.07 -0.84 0.77 116.25 121.49 1rw5 h VAL 99 Ca 0.42 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1rw5 h VAL 99 Cb 0.46 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1rw5 h VAL 99 CO -0.29 0.42 -0.00 0.71 0.02 0.00 0.00 177.57 178.43 1rw5 h THR 100 N 0.73 1.23 -0.46 2.57 1.35 -0.08 0.84 112.91 119.09 1rw5 h THR 100 Ca 0.12 -0.71 -0.10 0.00 -0.55 0.00 0.00 66.41 65.17 1rw5 h THR 100 Cb 0.65 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1rw5 h THR 100 CO 0.05 0.18 -0.10 -0.33 -0.25 0.00 0.00 175.52 175.07 1rw5 h GLU 101 N -0.32 0.88 -0.63 4.72 4.39 -0.69 -2.87 114.58 120.06 1rw5 h GLU 101 Ca -0.00 -0.33 -0.08 0.00 0.34 0.00 0.00 59.36 59.29 1rw5 h GLU 101 Cb 0.31 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1rw5 h GLU 101 CO 0.00 0.97 0.09 0.28 -1.16 0.00 0.00 179.01 179.19 1rw5 h VAL 102 N 0.72 1.26 -0.89 3.13 2.07 -0.82 -2.00 116.25 119.71 1rw5 h VAL 102 Ca 0.12 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.69 1rw5 h VAL 102 Cb 0.64 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 1rw5 h VAL 102 CO 0.04 0.38 0.58 -0.09 0.02 0.00 0.00 177.57 178.50 1rw5 h ARG 103 N 0.97 0.95 -0.20 1.57 2.43 -0.65 -0.36 114.38 119.09 1rw5 h ARG 103 Ca 0.19 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1rw5 h ARG 103 Cb 0.44 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1rw5 h ARG 103 CO 0.01 0.63 0.00 0.41 -1.51 0.00 0.00 179.97 179.51 1rw5 n GLY 104 N -1.40 0.50 3.60 2.80 0.00 -0.97 -4.76 105.19 104.95 1rw5 n GLY 104 Ca 0.14 -0.46 -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 -1.74 3.81 0.19 1.61 1.75 -0.14 -4.91 119.30 119.87 1rw5 s MET 105 Ca 0.33 0.46 -0.11 0.00 -1.25 0.00 0.00 55.69 55.12 1rw5 s MET 105 Cb 0.18 -3.80 0.11 0.00 2.84 0.00 0.00 34.83 34.16 1rw5 s MET 105 CO 0.26 -0.88 1.79 1.96 -0.65 0.00 0.00 175.02 177.50 1rw5 h GLN 106 N 8.43 0.95 -0.07 4.11 4.20 -1.88 0.15 115.11 131.00 1rw5 h GLN 106 Ca -0.24 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.24 1rw5 h GLN 106 Cb 1.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1rw5 h GLN 106 CO 0.94 0.74 -0.41 0.93 -0.67 0.00 0.00 178.83 180.36 1rw5 h GLU 107 N 0.92 0.15 -2.17 1.46 5.08 -1.95 -3.34 114.58 114.74 1rw5 h GLU 107 Ca 0.23 -0.07 -0.58 0.00 -1.00 0.00 0.00 59.36 57.94 1rw5 h GLU 107 Cb 0.09 -0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.94 1rw5 h GLU 107 CO -0.03 0.54 -0.89 0.00 -1.00 0.00 0.00 179.01 177.63 1rw5 n ALA 108 N -2.47 3.10 -0.34 3.43 0.00 -0.78 -4.94 120.51 118.51 1rw5 n ALA 108 Ca -0.02 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 49.51 1rw5 n ALA 108 Cb 0.47 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1rw5 n ALA 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rw5 n PRO 109 N 1.38 0.00 -0.09 0.00 -0.04 0.45 -4.20 135.00 132.51 1rw5 n PRO 109 Ca 0.25 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 64.05 1rw5 n PRO 109 Cb 0.47 -0.66 0.18 0.00 -0.04 0.00 0.00 33.50 33.45 1rw5 n PRO 109 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1rw5 n GLU 110 N -1.71 2.38 -0.00 0.54 1.02 -1.26 -3.86 120.64 117.75 1rw5 n GLU 110 Ca 0.00 -2.04 -0.00 0.00 -0.02 0.00 0.00 57.16 55.10 1rw5 n GLU 110 Cb 0.00 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rw5 h ALA 111 N 4.60 0.00 0.00 0.62 0.00 -1.92 -3.24 119.26 119.31 1rw5 h ALA 111 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1rw5 h ALA 111 Cb 0.97 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1rw5 h ALA 111 CO 0.00 0.00 -0.35 0.82 0.00 0.00 0.00 179.25 179.72 1rw5 h ILE 112 N -0.00 1.04 -0.44 0.00 2.04 -1.81 -2.87 117.51 115.46 1rw5 h ILE 112 Ca 0.00 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 1rw5 h ILE 112 Cb 0.00 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1rw5 h ILE 112 CO 0.00 0.34 0.14 0.25 0.00 0.00 0.00 178.15 178.88 1rw5 h LEU 113 N 0.00 0.58 -0.59 1.44 6.46 -1.74 -1.77 115.31 119.69 1rw5 h LEU 113 Ca -0.00 -0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 1rw5 h LEU 113 Cb 0.71 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.43 1rw5 h LEU 113 CO 0.05 0.56 0.27 -1.28 -0.62 0.00 0.00 178.44 177.42 1rw5 h SER 114 N 0.63 0.35 0.14 1.25 0.87 -1.53 0.17 113.55 115.43 1rw5 h SER 114 Ca 0.15 0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 60.53 1rw5 h SER 114 Cb 0.19 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.15 1rw5 h SER 114 CO -0.01 0.22 -0.91 0.11 -0.53 0.00 0.00 176.83 175.72 1rw5 h LYS 115 N 0.50 0.56 -0.61 2.24 1.79 -1.63 -3.00 116.57 116.42 1rw5 h LYS 115 Ca 0.28 -0.55 -0.08 0.00 -2.18 0.00 0.00 60.65 58.12 1rw5 h LYS 115 Cb 0.27 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1rw5 h LYS 115 CO -0.23 1.17 0.06 0.00 -1.08 0.00 0.00 179.45 179.37 1rw5 h ALA 116 N 0.65 0.95 -0.23 3.86 0.00 -0.59 0.60 119.26 124.50 1rw5 h ALA 116 Ca -0.08 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1rw5 h ALA 116 Cb 1.54 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1rw5 h ALA 116 CO 0.17 0.65 -0.56 -0.24 0.00 0.00 0.00 179.25 179.26 1rw5 h VAL 117 N 0.95 1.30 0.09 0.00 3.04 -0.75 -2.99 116.25 117.89 1rw5 h VAL 117 Ca 0.18 -1.78 -0.25 0.00 -1.01 0.00 0.00 66.70 63.84 1rw5 h VAL 117 Cb 0.47 1.72 -0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1rw5 h VAL 117 CO 0.02 0.57 -1.16 1.05 -1.01 0.00 0.00 177.57 177.03 1rw5 h GLU 118 N 0.55 0.21 -0.48 4.17 4.11 -1.37 -3.21 114.58 118.56 1rw5 h GLU 118 Ca 0.01 -0.35 -0.06 0.00 0.07 0.00 0.00 59.36 59.04 1rw5 h GLU 118 Cb 1.14 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1rw5 h GLU 118 CO 0.12 1.15 0.07 0.97 0.07 0.00 0.00 179.01 181.39 1rw5 h ILE 119 N 0.06 1.22 -0.15 -1.06 2.10 0.19 -0.41 117.51 119.48 1rw5 h ILE 119 Ca -0.10 -0.86 -0.09 0.00 1.08 0.00 0.00 64.86 64.89 1rw5 h ILE 119 Cb 1.89 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 38.39 1rw5 h ILE 119 CO 0.18 0.31 -0.30 -0.08 -1.08 0.00 0.00 178.15 177.18 1rw5 h GLU 120 N 0.72 0.28 -0.01 2.19 4.81 -1.59 -2.03 114.58 118.95 1rw5 h GLU 120 Ca 0.15 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.15 1rw5 h GLU 120 Cb 0.34 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.72 1rw5 h GLU 120 CO 0.01 0.56 -0.50 1.49 -0.73 0.00 0.00 179.01 179.84 1rw5 h GLU 121 N 0.25 0.36 -0.27 1.92 4.81 -1.35 -3.15 114.58 117.14 1rw5 h GLU 121 Ca 0.03 -0.37 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 1rw5 h GLU 121 Cb 0.66 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1rw5 h GLU 121 CO 0.05 1.05 -0.01 1.96 -0.73 0.00 0.00 179.01 181.33 1rw5 h GLN 122 N -0.19 0.41 -0.55 1.92 1.08 -1.05 -1.91 115.11 114.83 1rw5 h GLN 122 Ca -0.06 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 1rw5 h GLN 122 Cb 1.22 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 1rw5 h GLN 122 CO 0.10 0.45 0.09 1.79 -0.95 0.00 0.00 178.83 180.31 1rw5 h THR 123 N 0.40 1.24 0.03 -0.54 1.35 -1.40 -0.33 112.91 113.66 1rw5 h THR 123 Ca 0.09 -0.92 -0.24 0.00 -0.55 0.00 0.00 66.41 64.79 1rw5 h THR 123 Cb 0.29 0.72 0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1rw5 h THR 123 CO 0.01 0.34 -1.01 0.11 -0.25 0.00 0.00 175.52 174.71 1rw5 h LYS 124 N 0.83 0.41 -0.32 4.72 1.57 -1.40 -1.21 116.57 121.17 1rw5 h LYS 124 Ca 0.17 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1rw5 h LYS 124 Cb 0.37 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1rw5 h LYS 124 CO 0.01 1.15 0.15 0.00 -0.57 0.00 0.00 179.45 180.19 1rw5 h ARG 125 N 0.21 0.46 -0.89 3.15 3.08 -1.10 0.16 114.38 119.46 1rw5 h ARG 125 Ca -0.10 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1rw5 h ARG 125 Cb 1.66 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.59 1rw5 h ARG 125 CO 0.18 0.43 0.53 1.25 -1.07 0.00 0.00 179.97 181.28 1rw5 h LEU 126 N 0.38 1.07 -0.55 3.04 6.46 -1.05 0.90 115.31 125.56 1rw5 h LEU 126 Ca 0.11 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.83 1rw5 h LEU 126 Cb 0.12 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 39.74 1rw5 h LEU 126 CO -0.01 0.82 0.33 0.25 -0.62 0.00 0.00 178.44 179.21 1rw5 h LEU 127 N 1.22 0.52 -0.49 2.25 5.85 -0.25 0.55 115.31 124.96 1rw5 h LEU 127 Ca 0.32 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.95 1rw5 h LEU 127 Cb -0.04 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1rw5 h LEU 127 CO -0.06 0.36 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.02 1rw5 h GLU 128 N 0.64 0.90 -0.95 1.25 5.08 0.12 0.80 114.58 122.42 1rw5 h GLU 128 Ca 0.22 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1rw5 h GLU 128 Cb 0.04 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1rw5 h GLU 128 CO -0.11 0.96 0.63 0.78 -1.00 0.00 0.00 179.01 180.27 1rw5 h GLY 129 N 0.75 1.36 1.52 -3.84 0.00 -0.01 -1.81 103.07 101.05 1rw5 h GLY 129 Ca 0.13 -0.49 -0.20 0.00 0.00 0.00 0.00 47.33 46.77 1rw5 h GLY 129 CO 0.04 0.46 -0.79 0.00 0.00 0.00 0.00 176.54 176.24 1rw5 h MET 130 N 1.26 0.46 -0.17 4.80 -0.00 0.56 -3.09 114.93 118.75 1rw5 h MET 130 Ca 0.36 -0.41 0.04 0.00 -0.00 0.00 0.00 59.70 59.69 1rw5 h MET 130 Cb -0.10 0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1rw5 h MET 130 CO -0.09 1.05 0.12 0.93 -0.00 0.00 0.00 176.91 178.92 1rw5 h GLU 131 N 0.30 0.04 -0.23 -0.10 5.08 0.15 0.97 114.58 120.79 1rw5 h GLU 131 Ca -0.05 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1rw5 h GLU 131 Cb 1.39 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.63 1rw5 h GLU 131 CO 0.14 0.03 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.59 1rw5 h LEU 132 N 0.05 0.73 0.84 1.33 3.38 -1.38 -1.00 115.31 119.26 1rw5 h LEU 132 Ca 0.08 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1rw5 h LEU 132 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1rw5 h LEU 132 CO -0.01 1.12 -0.46 0.40 0.09 0.00 0.00 178.44 179.58 1rw5 h ILE 133 N 0.52 0.00 -0.61 1.22 5.03 -0.84 0.24 117.51 123.07 1rw5 h ILE 133 Ca 0.02 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.72 1rw5 h ILE 133 Cb 1.08 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.84 1rw5 h ILE 133 CO 0.11 0.00 0.23 1.62 -0.68 0.00 0.00 178.15 179.43 1rw5 h VAL 134 N -1.20 1.22 0.00 1.67 3.04 -1.46 0.91 116.25 120.43 1rw5 h VAL 134 Ca -0.11 -0.71 -0.05 0.00 -1.01 0.00 0.00 66.70 64.82 1rw5 h VAL 134 Cb 0.94 0.51 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 1rw5 h VAL 134 CO 0.15 0.28 -0.22 0.28 -1.01 0.00 0.00 177.57 177.05 1rw5 h SER 135 N 0.88 0.00 0.00 3.17 0.02 -0.95 -1.53 113.55 115.14 1rw5 h SER 135 Ca 0.21 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.86 1rw5 h SER 135 Cb 0.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 1rw5 h SER 135 CO -0.02 0.22 -2.12 0.00 -1.14 0.00 0.00 176.83 173.78 1rw5 n GLN 136 N -3.70 0.82 -0.09 3.45 1.13 0.84 -3.88 117.38 115.94 1rw5 n GLN 136 Ca -0.01 0.07 -0.12 0.00 -1.94 0.00 0.00 57.00 55.00 1rw5 n GLN 136 Cb 0.34 -1.40 -0.04 0.00 0.11 0.00 0.00 30.24 29.25 1rw5 n GLN 136 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1rw5 h VAL 137 N 0.00 1.28 -2.64 5.09 2.07 0.79 -3.37 116.25 119.47 1rw5 h VAL 137 Ca -0.44 -1.06 -0.60 0.00 0.82 0.00 0.00 66.70 65.41 1rw5 h VAL 137 Cb 1.79 1.44 -0.40 0.00 -1.52 0.00 0.00 31.29 32.60 1rw5 h VAL 137 CO -0.04 0.33 -0.80 1.41 0.02 0.00 0.00 177.57 178.50 1rw5 n HIS 138 N -4.54 1.06 0.06 1.57 8.25 -0.58 -4.94 115.22 116.10 1rw5 n HIS 138 Ca -0.04 -3.78 0.21 0.00 -0.26 0.00 0.00 57.72 53.85 1rw5 n HIS 138 Cb 0.30 -0.18 0.74 0.00 1.12 0.00 0.00 29.99 31.97 1rw5 n HIS 138 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1rw5 h PRO 139 N 5.38 0.00 -0.13 -0.41 0.11 -1.69 0.95 132.00 136.20 1rw5 h PRO 139 Ca 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 1rw5 h PRO 139 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1rw5 h PRO 139 CO 0.54 0.00 0.01 1.49 -0.21 0.00 0.00 178.00 179.83 1rw5 h GLU 140 N 0.00 0.19 -6.50 1.05 4.81 -1.90 -3.41 114.58 108.82 1rw5 h GLU 140 Ca 0.22 -0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 58.90 1rw5 h GLU 140 Cb 1.09 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 30.46 1rw5 h GLU 140 CO -0.00 0.20 0.94 0.99 -0.73 0.00 0.00 179.01 180.41 1rw5 s THR 141 N -5.04 2.95 -0.01 0.32 2.01 0.33 -4.92 115.64 111.28 1rw5 s THR 141 Ca -0.06 0.52 -0.00 0.00 0.31 0.00 0.00 61.69 62.46 1rw5 s THR 141 Cb 0.17 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 69.34 1rw5 s THR 141 CO 0.70 0.01 -0.01 0.50 -0.69 0.00 0.00 174.62 175.14 1rw5 h LYS 142 N 7.79 0.00 -3.31 4.92 3.64 -1.87 -3.47 116.57 124.27 1rw5 h LYS 142 Ca -0.42 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 1rw5 h LYS 142 Cb 1.20 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 32.86 1rw5 h LYS 142 CO 0.92 0.00 -0.21 -2.00 -2.27 0.00 0.00 179.45 175.89 1rw5 s GLU 143 N -1.09 0.87 -0.32 1.90 2.12 -1.26 -5.04 118.70 115.88 1rw5 s GLU 143 Ca -0.00 -0.55 -0.10 0.00 0.36 0.00 0.00 54.97 54.67 1rw5 s GLU 143 Cb 0.00 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 1rw5 s GLU 143 CO 0.01 -0.29 0.17 -0.80 -0.54 0.00 0.00 175.26 173.80 1rw5 s ASN 144 N -2.23 5.65 -0.02 -1.70 0.01 -1.26 -4.91 114.94 110.48 1rw5 s ASN 144 Ca -0.03 -0.54 0.03 0.00 -0.71 0.00 0.00 52.86 51.61 1rw5 s ASN 144 Cb 0.00 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.59 1rw5 s ASN 144 CO -0.05 -0.21 0.04 -1.84 -1.51 0.00 0.00 177.10 173.53 1rw5 n GLU 145 N 5.00 1.66 -1.59 -0.60 0.28 -1.26 -4.90 120.64 119.24 1rw5 n GLU 145 Ca -0.13 -0.02 -0.43 0.00 -0.16 0.00 0.00 57.16 56.42 1rw5 n GLU 145 Cb 0.49 -1.08 -0.03 0.00 1.43 0.00 0.00 31.44 32.25 1rw5 n GLU 145 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1rw5 n ILE 146 N -1.84 0.30 -4.00 3.84 5.41 -1.26 -4.92 119.36 116.88 1rw5 n ILE 146 Ca -0.03 -0.49 -0.10 0.00 1.00 0.00 0.00 62.75 63.13 1rw5 n ILE 146 Cb 0.32 -2.56 -0.07 0.00 -0.71 0.00 0.00 39.64 36.62 1rw5 n ILE 146 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1rw5 s TYR 147 N 8.71 0.48 0.54 1.39 -0.85 -1.26 -4.64 117.35 121.72 1rw5 s TYR 147 Ca 1.01 -0.83 -0.22 0.00 -0.52 0.00 0.00 57.07 56.52 1rw5 s TYR 147 Cb -0.34 -0.06 -0.05 0.00 0.38 0.00 0.00 41.96 41.89 1rw5 s TYR 147 CO 0.35 -0.77 1.28 -2.30 -1.52 0.00 0.00 175.55 172.59 1rw5 n PRO 148 N -0.26 1.57 -3.68 -3.49 -0.02 -1.26 -4.98 135.00 122.88 1rw5 n PRO 148 Ca -0.05 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.66 1rw5 n PRO 148 Cb 0.63 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.55 1rw5 n PRO 148 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1rw5 s VAL 149 N -1.31 5.38 0.26 -1.45 1.01 -1.26 -5.00 120.40 118.02 1rw5 s VAL 149 Ca 0.71 0.30 -0.28 0.00 0.00 0.00 0.00 61.98 62.71 1rw5 s VAL 149 Cb -0.43 -3.52 -0.15 0.00 0.00 0.00 0.00 36.38 32.28 1rw5 s VAL 149 CO 0.50 0.43 0.80 1.87 0.00 0.00 0.00 175.10 178.70 1rw5 n TRP 150 N 3.49 0.53 0.00 5.22 -0.00 -1.26 -4.77 117.44 120.64 1rw5 n TRP 150 Ca -0.15 0.80 0.00 0.00 -0.00 0.00 0.00 57.50 58.15 1rw5 n TRP 150 Cb 0.52 -2.13 0.00 0.00 -0.00 0.00 0.00 31.31 29.70 1rw5 n TRP 150 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 1rw5 n SER 151 N 1.52 0.00 -3.44 5.87 3.41 -1.26 -5.14 113.62 114.59 1rw5 n SER 151 Ca 0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.43 1rw5 n SER 151 Cb 0.30 0.01 0.29 0.00 -0.26 0.00 0.00 64.21 64.55 1rw5 n SER 151 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1rw5 s GLY 152 N -1.04 1.42 -0.91 5.00 0.00 -1.26 -4.24 107.32 106.28 1rw5 s GLY 152 Ca 0.00 -0.82 -0.06 0.00 0.00 0.00 0.00 44.72 43.84 1rw5 s GLY 152 CO 0.00 0.19 0.77 1.04 0.00 0.00 0.00 173.10 175.10 1rw5 n LEU 153 N -5.63 -5.19 -0.25 0.66 4.77 -1.26 -4.81 117.00 105.29 1rw5 n LEU 153 Ca 0.13 -0.53 0.30 0.00 -0.03 0.00 0.00 56.01 55.88 1rw5 n LEU 153 Cb 0.60 -2.93 0.70 0.00 -2.33 0.00 0.00 43.42 39.46 1rw5 n LEU 153 CO 0.43 -0.31 1.28 -0.65 -1.33 0.00 0.00 177.39 176.80 1rw5 h PRO 154 N -0.50 0.06 -1.48 3.23 0.11 -2.01 -3.37 132.00 128.04 1rw5 h PRO 154 Ca -0.37 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 1rw5 h PRO 154 Cb 1.20 -0.01 -0.26 0.00 0.11 0.00 0.00 31.00 32.04 1rw5 h PRO 154 CO 0.38 0.04 -0.40 -1.12 -0.21 0.00 0.00 178.00 176.69 1rw5 s SER 155 N -5.43 -0.47 0.47 -2.05 0.01 -1.26 -5.01 113.70 99.96 1rw5 s SER 155 Ca -0.06 0.39 0.13 0.00 1.31 0.00 0.00 55.95 57.72 1rw5 s SER 155 Cb 0.22 1.56 1.07 0.00 0.21 0.00 0.00 66.02 69.09 1rw5 s SER 155 CO 0.79 -0.29 2.07 -0.07 0.41 0.00 0.00 173.24 176.14 1rw5 h LEU 156 N 8.10 0.11 -5.43 2.44 -0.00 -1.97 -3.03 115.31 115.54 1rw5 h LEU 156 Ca -0.18 -0.01 -0.69 0.00 -0.00 0.00 0.00 57.88 57.00 1rw5 h LEU 156 Cb 1.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 1rw5 h LEU 156 CO 0.26 0.15 3.50 1.67 -0.00 0.00 0.00 178.44 184.02 1rw5 n GLN 157 N -4.44 3.42 -4.62 1.13 7.27 -1.26 -4.89 117.38 114.00 1rw5 n GLN 157 Ca -0.02 -2.43 -0.33 0.00 0.07 0.00 0.00 57.00 54.29 1rw5 n GLN 157 Cb 0.14 -2.98 -0.12 0.00 2.41 0.00 0.00 30.24 29.69 1rw5 n GLN 157 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1rw5 s MET 158 N 2.39 3.18 -0.14 3.69 1.75 -1.15 -5.00 119.30 124.02 1rw5 s MET 158 Ca 0.60 -0.59 0.17 0.00 -1.25 0.00 0.00 55.69 54.63 1rw5 s MET 158 Cb 0.16 -2.68 0.38 0.00 2.84 0.00 0.00 34.83 35.52 1rw5 s MET 158 CO -0.07 0.42 1.26 0.00 -0.65 0.00 0.00 175.02 175.97 1rw5 n ALA 159 N 2.96 2.55 -1.73 4.11 0.00 -1.26 -4.99 120.51 122.15 1rw5 n ALA 159 Ca -0.18 -2.39 -0.33 0.00 0.00 0.00 0.00 53.44 50.55 1rw5 n ALA 159 Cb 0.53 -0.50 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 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 6.09 0.00 0.00 1.01 -1.26 -5.01 116.67 115.14 1rw5 s ASP 160 Ca 0.35 1.75 0.00 0.00 0.71 0.00 0.00 52.55 55.36 1rw5 s ASP 160 Cb 0.29 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.69 1rw5 s ASP 160 CO 0.06 -0.96 0.00 -0.62 0.21 0.00 0.00 175.17 173.86 1rw5 n GLU 161 N -1.80 0.00 -0.23 8.23 1.02 -1.26 -3.40 120.64 123.20 1rw5 n GLU 161 Ca 0.08 0.20 -0.08 0.00 -0.02 0.00 0.00 57.16 57.35 1rw5 n GLU 161 Cb 0.53 -0.65 0.05 0.00 -0.02 0.00 0.00 31.44 31.35 1rw5 n GLU 161 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1rw5 h GLU 162 N 0.00 1.11 -0.47 3.49 5.08 -1.95 -3.06 114.58 118.77 1rw5 h GLU 162 Ca 0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1rw5 h GLU 162 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1rw5 h GLU 162 CO 0.00 1.02 0.20 0.77 -1.00 0.00 0.00 179.01 179.99 1rw5 h SER 163 N 1.03 0.64 -0.84 1.42 0.02 -1.99 -2.49 113.55 111.33 1rw5 h SER 163 Ca 0.20 -0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 1rw5 h SER 163 Cb 0.46 -0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 1rw5 h SER 163 CO 0.02 0.63 0.55 -0.09 -1.14 0.00 0.00 176.83 176.79 1rw5 h ARG 164 N 0.62 0.71 -0.60 3.45 9.65 -1.55 0.16 114.38 126.82 1rw5 h ARG 164 Ca 0.16 -0.04 0.12 0.00 -1.10 0.00 0.00 59.98 59.12 1rw5 h ARG 164 Cb 0.18 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.56 1rw5 h ARG 164 CO -0.01 0.47 0.41 -0.07 2.80 0.00 0.00 179.97 183.56 1rw5 h LEU 165 N 0.73 0.27 -1.26 3.80 3.38 -1.37 0.42 115.31 121.29 1rw5 h LEU 165 Ca 0.40 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 1rw5 h LEU 165 Cb 0.54 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1rw5 h LEU 165 CO -0.17 0.15 0.24 0.77 0.09 0.00 0.00 178.44 179.52 1rw5 h SER 166 N 0.29 0.68 -0.76 -0.43 4.64 -0.70 0.95 113.55 118.21 1rw5 h SER 166 Ca 0.28 -0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1rw5 h SER 166 Cb 0.71 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.58 1rw5 h SER 166 CO -0.07 0.59 0.48 0.00 -0.87 0.00 0.00 176.83 176.97 1rw5 h ALA 167 N 1.51 1.00 0.00 5.18 0.00 -0.15 -2.62 119.26 124.18 1rw5 h ALA 167 Ca 0.19 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1rw5 h ALA 167 Cb 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1rw5 h ALA 167 CO -0.02 0.28 -1.82 0.66 0.00 0.00 0.00 179.25 178.34 1rw5 n TYR 168 N -4.62 0.00 -0.24 0.00 4.01 -1.01 -3.88 117.16 111.41 1rw5 n TYR 168 Ca 0.09 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.76 1rw5 n TYR 168 Cb 0.09 -0.53 0.04 0.00 -0.31 0.00 0.00 39.34 38.64 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 0.99 -0.29 -0.72 3.20 0.87 0.84 116.97 121.86 1rw5 h TYR 169 Ca -0.21 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.51 1rw5 h TYR 169 Cb 1.33 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 1rw5 h TYR 169 CO 0.00 0.75 -0.16 -0.91 -1.64 0.00 0.00 178.16 176.20 1rw5 h ASN 170 N 0.93 0.65 0.10 -2.11 2.35 -1.61 -2.64 115.58 113.25 1rw5 h ASN 170 Ca 0.23 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.55 1rw5 h ASN 170 Cb 0.16 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1rw5 h ASN 170 CO -0.02 0.93 -0.05 -0.07 -1.65 0.00 0.00 177.43 176.56 1rw5 h LEU 171 N 0.37 -0.12 -0.65 1.61 3.38 -1.59 -2.76 115.31 115.55 1rw5 h LEU 171 Ca 0.06 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.16 1rw5 h LEU 171 Cb 0.69 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 1rw5 h LEU 171 CO 0.05 0.32 0.17 -0.07 0.09 0.00 0.00 178.44 179.00 1rw5 h LEU 172 N -0.95 0.06 -0.01 1.67 3.38 0.56 0.92 115.31 120.94 1rw5 h LEU 172 Ca -0.01 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1rw5 h LEU 172 Cb 0.11 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1rw5 h LEU 172 CO 0.02 0.03 0.00 -0.74 0.09 0.00 0.00 178.44 177.84 1rw5 h HIS 173 N 0.30 0.02 -0.36 1.13 2.76 -1.57 -2.23 115.15 115.21 1rw5 h HIS 173 Ca 0.35 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.49 1rw5 h HIS 173 Cb 0.52 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1rw5 h HIS 173 CO -0.23 0.28 0.13 0.00 -1.30 0.00 0.00 177.93 176.81 1rw5 h LEU 175 N 0.51 0.95 0.63 0.00 6.46 0.12 -0.12 115.31 123.86 1rw5 h LEU 175 Ca 0.13 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 1rw5 h LEU 175 Cb 0.12 -0.22 0.01 0.00 -0.73 0.00 0.00 40.66 39.84 1rw5 h LEU 175 CO -0.01 0.66 -0.30 -0.09 -0.62 0.00 0.00 178.44 178.08 1rw5 h ARG 176 N 1.11 -0.81 -0.73 1.25 2.43 -0.72 0.15 114.38 117.05 1rw5 h ARG 176 Ca 0.34 0.06 0.11 0.00 -0.81 0.00 0.00 59.98 59.68 1rw5 h ARG 176 Cb -0.02 0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.63 1rw5 h ARG 176 CO -0.11 -0.54 0.34 -0.09 -1.51 0.00 0.00 179.97 178.06 1rw5 h ARG 177 N -1.06 0.54 -0.51 0.20 2.43 -1.43 -0.95 114.38 113.60 1rw5 h ARG 177 Ca -0.09 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 58.96 1rw5 h ARG 177 Cb 0.65 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1rw5 h ARG 177 CO 0.14 0.35 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.47 1rw5 h ASP 178 N 0.55 0.87 -0.08 -3.80 3.32 -1.02 -1.13 116.42 115.13 1rw5 h ASP 178 Ca 0.38 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1rw5 h ASP 178 Cb 0.47 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1rw5 h ASP 178 CO -0.32 0.95 -0.08 0.77 -1.72 0.00 0.00 179.24 178.85 1rw5 h SER 179 N 0.81 0.33 -0.21 6.45 4.64 0.32 -1.11 113.55 124.78 1rw5 h SER 179 Ca 0.14 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.21 1rw5 h SER 179 Cb 0.55 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1rw5 h SER 179 CO 0.03 0.45 -0.62 -0.74 -0.87 0.00 0.00 176.83 175.08 1rw5 h HIS 180 N 0.34 1.03 -0.27 4.77 -0.00 -0.79 -1.87 115.15 118.35 1rw5 h HIS 180 Ca 0.07 -0.41 0.02 0.00 -0.00 0.00 0.00 60.37 60.05 1rw5 h HIS 180 Cb 0.36 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.57 1rw5 h HIS 180 CO 0.01 1.23 0.13 0.87 -0.00 0.00 0.00 177.93 180.17 1rw5 h LYS 181 N 0.53 0.27 -0.84 5.26 1.57 -0.53 0.88 116.57 123.70 1rw5 h LYS 181 Ca -0.02 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1rw5 h LYS 181 Cb 1.24 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 33.45 1rw5 h LYS 181 CO 0.13 0.18 0.55 0.82 -0.57 0.00 0.00 179.45 180.56 1rw5 h ILE 182 N 0.28 1.18 -0.57 1.86 2.04 -1.19 -1.22 117.51 119.87 1rw5 h ILE 182 Ca 0.11 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1rw5 h ILE 182 Cb 0.04 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 1rw5 h ILE 182 CO -0.09 0.20 -0.01 -0.78 0.00 0.00 0.00 178.15 177.47 1rw5 h ASP 183 N 1.10 0.98 -0.63 1.72 1.82 -0.38 -2.94 116.42 118.09 1rw5 h ASP 183 Ca 0.32 -0.27 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1rw5 h ASP 183 Cb -0.06 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 39.65 1rw5 h ASP 183 CO -0.09 1.04 0.41 -1.13 -1.61 0.00 0.00 179.24 177.86 1rw5 h ASN 184 N 0.91 0.73 -0.57 2.28 -1.24 0.19 -2.52 115.58 115.36 1rw5 h ASN 184 Ca 0.16 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.09 1rw5 h ASN 184 Cb 0.55 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 1rw5 h ASN 184 CO 0.03 0.54 0.17 1.88 -1.29 0.00 0.00 177.43 178.76 1rw5 h TYR 185 N 0.85 0.96 -0.84 0.67 0.05 -1.19 -2.43 116.97 115.04 1rw5 h TYR 185 Ca 0.23 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 1rw5 h TYR 185 Cb -0.08 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.34 1rw5 h TYR 185 CO -0.03 0.79 0.45 -0.07 -1.05 0.00 0.00 178.16 178.25 1rw5 h LEU 186 N 0.90 1.06 -0.43 3.88 -0.00 -1.29 0.28 115.31 119.71 1rw5 h LEU 186 Ca 0.20 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1rw5 h LEU 186 Cb 0.29 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 1rw5 h LEU 186 CO -0.00 0.86 0.22 0.11 -0.00 0.00 0.00 178.44 179.63 1rw5 h LYS 187 N 1.18 0.61 -0.26 1.13 1.57 -1.10 0.08 116.57 119.78 1rw5 h LYS 187 Ca 0.29 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1rw5 h LYS 187 Cb 0.05 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1rw5 h LYS 187 CO -0.04 0.51 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.21 1rw5 h LEU 188 N 0.56 0.51 -1.75 2.94 3.38 -1.09 -2.83 115.31 117.03 1rw5 h LEU 188 Ca 0.15 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1rw5 h LEU 188 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1rw5 h LEU 188 CO -0.02 0.75 0.26 0.25 0.09 0.00 0.00 178.44 179.77 1rw5 h LEU 189 N 0.25 0.28 -0.56 1.67 5.85 -0.16 -2.24 115.31 120.41 1rw5 h LEU 189 Ca 0.07 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.85 1rw5 h LEU 189 Cb 0.53 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 1rw5 h LEU 189 CO 0.03 0.19 0.24 0.50 -0.34 0.00 0.00 178.44 179.05 1rw5 h LYS 190 N 0.32 0.43 0.00 1.25 3.64 -0.72 0.97 116.57 122.46 1rw5 h LYS 190 Ca 0.16 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1rw5 h LYS 190 Cb 0.25 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1rw5 h LYS 190 CO -0.04 0.28 -0.07 0.00 -2.27 0.00 0.00 179.45 177.36 1rw5 n ARG 192 N -4.38 0.69 0.15 0.00 1.74 -0.44 -1.88 116.66 112.55 1rw5 n ARG 192 Ca -0.03 -0.01 0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1rw5 n ARG 192 Cb 0.15 -1.52 0.16 0.00 -1.02 0.00 0.00 32.46 30.24 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1rw5 h ILE 193 N 0.00 1.09 0.00 0.55 2.10 1.00 -3.35 117.51 118.90 1rw5 h ILE 193 Ca -0.54 -2.08 0.00 0.00 1.08 0.00 0.00 64.86 63.32 1rw5 h ILE 193 Cb 2.23 2.23 0.00 0.00 -1.09 0.00 0.00 36.82 40.18 1rw5 h ILE 193 CO 0.03 0.53 0.00 -0.38 -1.08 0.00 0.00 178.15 177.25 1rw5 n ILE 194 N -3.47 0.00 -3.20 2.19 5.41 -0.76 -4.92 119.36 114.61 1rw5 n ILE 194 Ca 0.00 -0.28 -0.16 0.00 1.00 0.00 0.00 62.75 63.31 1rw5 n ILE 194 Cb 0.65 1.26 0.06 0.00 -0.71 0.00 0.00 39.64 40.89 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 -0.23 -1.90 -4.24 1.39 8.25 -0.79 -5.02 115.22 112.69 1rw5 n HIS 195 Ca 0.00 0.69 -0.31 0.00 -0.26 0.00 0.00 57.72 57.83 1rw5 n HIS 195 Cb 0.07 -3.81 -0.09 0.00 1.12 0.00 0.00 29.99 27.28 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 -3.33 4.89 -0.58 0.41 0.01 -1.20 -5.01 114.94 110.13 1rw5 s ASN 196 Ca 0.34 -0.16 -0.23 0.00 -0.71 0.00 0.00 52.86 52.10 1rw5 s ASN 196 Cb -0.15 -1.16 0.05 0.00 0.41 0.00 0.00 41.25 40.40 1rw5 s ASN 196 CO 0.50 0.22 0.92 0.21 -1.51 0.00 0.00 177.10 177.44 1rw5 s ASN 197 N -1.95 6.27 -0.17 -1.22 3.84 -1.26 -4.04 114.94 116.41 1rw5 s ASN 197 Ca 0.22 -0.61 0.06 0.00 0.21 0.00 0.00 52.86 52.74 1rw5 s ASN 197 Cb -0.11 -2.42 0.20 0.00 -0.55 0.00 0.00 41.25 38.37 1rw5 s ASN 197 CO 0.14 -1.26 1.21 -3.20 -2.79 0.00 0.00 177.10 171.19 1rw5 n ASN 198 N 7.42 -1.14 0.00 -4.21 5.15 -1.26 -5.09 115.26 116.13 1rw5 n ASN 198 Ca -0.01 -1.98 0.00 0.00 -0.60 0.00 0.00 54.58 51.99 1rw5 n ASN 198 Cb 0.47 0.47 0.00 0.00 -0.53 0.00 0.00 39.78 40.18 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66