#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 1.45 -0.12 1.96 0.04 -1.26 -5.02 135.00 132.04 1rw5 s PRO 2 Ca 0.00 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.49 1rw5 s PRO 2 Cb 0.00 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 1rw5 s PRO 2 CO 0.00 -2.30 0.01 0.42 0.04 0.00 0.00 177.00 175.16 1rw5 s ILE 3 N -2.63 4.34 -1.00 0.56 1.01 -1.26 -4.60 121.20 117.62 1rw5 s ILE 3 Ca 0.66 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 1rw5 s ILE 3 Cb -0.22 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1rw5 s ILE 3 CO 0.56 0.55 0.81 0.00 0.00 0.00 0.00 174.94 176.86 1rw5 n PRO 5 N -3.20 1.05 -1.25 0.00 -0.04 -1.26 -4.94 135.00 125.36 1rw5 n PRO 5 Ca -0.08 0.42 -0.35 0.00 -0.04 0.00 0.00 63.50 63.45 1rw5 n PRO 5 Cb 0.59 -2.49 0.11 0.00 -0.04 0.00 0.00 33.50 31.66 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 0.95 -0.21 0.00 0.55 0.00 -1.26 -3.02 105.19 102.20 1rw5 n GLY 6 Ca 0.16 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 0.84 3.36 3.55 -0.02 0.00 -1.26 -5.02 105.19 106.65 1rw5 n GLY 7 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.99 3.14 0.31 4.61 0.00 -1.17 -4.86 121.76 120.79 1rw5 s ALA 8 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1rw5 s ALA 8 Cb 0.00 -3.79 0.53 0.00 0.00 0.00 0.00 23.12 19.86 1rw5 s ALA 8 CO 0.00 -2.37 1.93 0.00 0.00 0.00 0.00 175.76 175.31 1rw5 h ALA 9 N 9.31 1.51 -3.25 0.00 0.00 -1.95 -3.36 119.26 121.52 1rw5 h ALA 9 Ca -0.25 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.06 1rw5 h ALA 9 Cb 1.07 -0.28 -0.37 0.00 0.00 0.00 0.00 17.79 18.21 1rw5 h ALA 9 CO 1.10 0.38 -0.81 0.50 0.00 0.00 0.00 179.25 180.42 1rw5 s ARG 10 N -5.89 1.72 0.22 0.00 3.00 -1.26 -5.13 118.95 111.60 1rw5 s ARG 10 Ca -0.11 -0.49 0.03 0.00 -1.00 0.00 0.00 55.73 54.16 1rw5 s ARG 10 Cb 0.19 -1.95 0.03 0.00 0.00 0.00 0.00 34.95 33.22 1rw5 s ARG 10 CO 0.80 -0.34 0.23 0.00 0.00 0.00 0.00 175.30 175.98 1rw5 s GLN 12 N -2.93 3.63 -0.03 0.00 -0.21 -1.26 -4.97 119.66 113.89 1rw5 s GLN 12 Ca 0.17 1.61 0.04 0.00 0.02 0.00 0.00 55.36 57.20 1rw5 s GLN 12 Cb -0.01 -4.10 -0.01 0.00 1.00 0.00 0.00 33.01 29.89 1rw5 s GLN 12 CO 0.11 -1.49 -0.14 0.08 -2.12 0.00 0.00 175.29 171.72 1rw5 s VAL 13 N 5.81 1.18 0.28 1.09 1.01 -1.26 -4.91 120.40 123.60 1rw5 s VAL 13 Ca 0.75 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1rw5 s VAL 13 Cb -0.25 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1rw5 s VAL 13 CO 0.31 0.34 0.51 0.42 0.00 0.00 0.00 175.10 176.68 1rw5 s THR 14 N -0.09 5.09 0.35 3.92 -4.23 -1.26 -4.98 115.64 114.44 1rw5 s THR 14 Ca 0.00 -0.18 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1rw5 s THR 14 Cb -0.08 -3.76 0.17 0.00 1.34 0.00 0.00 72.50 70.16 1rw5 s THR 14 CO 0.01 -0.34 1.89 0.25 -0.54 0.00 0.00 174.62 175.89 1rw5 h LEU 15 N 1.55 0.45 0.00 4.79 6.46 -2.01 -1.58 115.31 124.97 1rw5 h LEU 15 Ca -0.48 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 1rw5 h LEU 15 Cb 1.20 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1rw5 h LEU 15 CO 0.66 0.52 0.00 -2.11 -0.62 0.00 0.00 178.44 176.88 1rw5 n ARG 16 N -4.29 0.98 -0.01 1.25 1.85 -1.26 -2.80 116.66 112.38 1rw5 n ARG 16 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.85 1rw5 n ARG 16 Cb 0.23 -1.34 -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 -0.84 0.18 0.23 2.89 8.00 -0.60 -4.11 116.55 122.30 1rw5 n ASP 17 Ca 0.16 0.07 0.07 0.00 0.71 0.00 0.00 54.79 55.80 1rw5 n ASP 17 Cb 0.07 -0.52 0.58 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.09 0.02 -0.50 0.64 -0.00 -1.72 -1.87 115.31 111.80 1rw5 h LEU 18 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1rw5 h LEU 18 Cb 0.08 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.71 1rw5 h LEU 18 CO 0.00 0.08 0.33 0.15 -0.00 0.00 0.00 178.44 179.00 1rw5 h PHE 19 N 0.03 0.64 -0.83 1.13 3.57 -1.76 0.84 116.94 120.56 1rw5 h PHE 19 Ca 0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1rw5 h PHE 19 Cb 0.11 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 1rw5 h PHE 19 CO 0.00 0.41 0.55 0.22 -2.23 0.00 0.00 178.31 177.26 1rw5 h ASP 20 N 0.68 0.89 -0.13 0.41 3.58 -1.49 0.28 116.42 120.64 1rw5 h ASP 20 Ca 0.18 -0.01 -0.22 0.00 0.42 0.00 0.00 57.03 57.40 1rw5 h ASP 20 Cb -0.06 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 40.79 1rw5 h ASP 20 CO -0.04 0.62 -0.76 0.03 -2.88 0.00 0.00 179.24 176.21 1rw5 h ARG 21 N 1.04 0.78 -0.28 0.28 3.08 -1.01 -2.93 114.38 115.34 1rw5 h ARG 21 Ca 0.33 -0.62 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 1rw5 h ARG 21 Cb 0.02 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1rw5 h ARG 21 CO -0.09 1.23 -0.08 0.00 -1.07 0.00 0.00 179.97 179.96 1rw5 h ALA 22 N 0.60 1.35 -0.55 0.04 0.00 0.17 0.76 119.26 121.62 1rw5 h ALA 22 Ca -0.05 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1rw5 h ALA 22 Cb 1.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1rw5 h ALA 22 CO 0.16 0.44 -0.09 0.28 0.00 0.00 0.00 179.25 180.04 1rw5 h VAL 23 N 0.42 1.27 0.01 0.00 2.07 -0.40 -2.49 116.25 117.14 1rw5 h VAL 23 Ca 0.09 -1.24 -0.27 0.00 0.82 0.00 0.00 66.70 66.10 1rw5 h VAL 23 Cb 0.41 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1rw5 h VAL 23 CO 0.02 0.44 -1.45 -0.37 0.02 0.00 0.00 177.57 176.23 1rw5 h VAL 24 N 0.92 1.17 -0.41 2.57 -1.51 -1.30 -3.32 116.25 114.37 1rw5 h VAL 24 Ca 0.15 -2.96 -0.00 0.00 -1.23 0.00 0.00 66.70 62.66 1rw5 h VAL 24 Cb 0.65 2.59 -0.02 0.00 -2.13 0.00 0.00 31.29 32.38 1rw5 h VAL 24 CO 0.04 0.69 0.24 0.25 -1.23 0.00 0.00 177.57 177.56 1rw5 h LEU 25 N 0.01 0.49 -1.41 4.19 5.85 0.61 -1.51 115.31 123.53 1rw5 h LEU 25 Ca -0.19 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.48 1rw5 h LEU 25 Cb 1.93 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.82 1rw5 h LEU 25 CO 0.10 0.39 0.07 0.28 -0.34 0.00 0.00 178.44 178.94 1rw5 h SER 26 N 0.57 0.42 0.18 1.25 0.02 -1.54 -2.18 113.55 112.27 1rw5 h SER 26 Ca 0.15 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.90 1rw5 h SER 26 Cb -0.00 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1rw5 h SER 26 CO -0.03 0.44 -0.54 -0.74 -1.14 0.00 0.00 176.83 174.83 1rw5 h HIS 27 N 0.46 0.47 -0.20 3.45 -0.00 -1.43 -2.90 115.15 115.00 1rw5 h HIS 27 Ca 0.11 -0.16 0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1rw5 h HIS 27 Cb 0.19 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 1rw5 h HIS 27 CO 0.01 0.83 0.05 -0.92 -0.00 0.00 0.00 177.93 177.91 1rw5 h TYR 28 N 0.30 0.10 -0.19 5.26 3.20 -1.22 -0.35 116.97 124.06 1rw5 h TYR 28 Ca 0.01 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1rw5 h TYR 28 Cb 1.04 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 1rw5 h TYR 28 CO 0.03 0.04 0.07 0.82 -1.64 0.00 0.00 178.16 177.48 1rw5 h ILE 29 N 0.14 1.08 -0.44 1.81 2.04 -1.50 -0.79 117.51 119.85 1rw5 h ILE 29 Ca 0.09 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1rw5 h ILE 29 Cb 0.07 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1rw5 h ILE 29 CO -0.10 0.10 0.25 -0.74 0.00 0.00 0.00 178.15 177.65 1rw5 h HIS 30 N 0.26 0.60 -0.56 1.37 2.76 -0.90 0.28 115.15 118.97 1rw5 h HIS 30 Ca 0.07 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1rw5 h HIS 30 Cb 0.07 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 1rw5 h HIS 30 CO 0.00 0.45 0.24 -0.91 -1.30 0.00 0.00 177.93 176.41 1rw5 h ASN 31 N 0.58 0.76 0.39 3.26 2.35 -0.09 0.41 115.58 123.23 1rw5 h ASN 31 Ca 0.16 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1rw5 h ASN 31 Cb 0.04 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1rw5 h ASN 31 CO -0.03 0.71 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.21 1rw5 h LEU 32 N 0.76 -0.44 -1.37 1.61 3.38 -0.56 0.29 115.31 118.99 1rw5 h LEU 32 Ca 0.19 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1rw5 h LEU 32 Cb 0.18 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1rw5 h LEU 32 CO -0.02 -0.30 0.36 -1.28 0.09 0.00 0.00 178.44 177.29 1rw5 h SER 33 N -0.54 0.69 0.55 -0.43 0.87 -0.27 0.83 113.55 115.25 1rw5 h SER 33 Ca -0.05 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.45 1rw5 h SER 33 Cb 0.41 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1rw5 h SER 33 CO 0.09 0.52 -0.26 -1.28 -0.53 0.00 0.00 176.83 175.37 1rw5 h SER 34 N 0.81 -0.62 -0.23 6.23 0.87 0.39 -1.68 113.55 119.32 1rw5 h SER 34 Ca 0.21 -0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.61 1rw5 h SER 34 Cb -0.05 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1rw5 h SER 34 CO -0.04 -0.23 -0.36 -0.33 -0.53 0.00 0.00 176.83 175.34 1rw5 h GLU 35 N -1.11 0.65 -0.37 2.24 5.08 -0.32 0.60 114.58 121.36 1rw5 h GLU 35 Ca -0.08 -0.39 0.04 0.00 -1.00 0.00 0.00 59.36 57.93 1rw5 h GLU 35 Cb 0.62 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 1rw5 h GLU 35 CO 0.12 1.00 0.16 1.98 -1.00 0.00 0.00 179.01 181.27 1rw5 h MET 36 N 0.35 0.32 -0.28 2.33 4.05 0.59 0.21 114.93 122.50 1rw5 h MET 36 Ca 0.02 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.33 1rw5 h MET 36 Cb 0.94 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 1rw5 h MET 36 CO 0.08 0.21 -0.19 0.35 0.23 0.00 0.00 176.91 177.59 1rw5 h PHE 37 N 0.33 0.73 -0.87 1.39 3.57 -1.29 -2.81 116.94 118.00 1rw5 h PHE 37 Ca 0.16 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.49 1rw5 h PHE 37 Cb 0.11 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 1rw5 h PHE 37 CO -0.12 0.89 0.56 1.03 -2.23 0.00 0.00 178.31 178.45 1rw5 h SER 38 N 0.37 0.95 -0.69 0.41 0.87 -0.36 0.87 113.55 115.97 1rw5 h SER 38 Ca 0.06 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1rw5 h SER 38 Cb 0.73 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.43 1rw5 h SER 38 CO 0.05 0.67 0.35 -0.33 -0.53 0.00 0.00 176.83 177.04 1rw5 h GLU 39 N 1.12 1.00 0.07 2.24 5.08 -0.54 0.49 114.58 124.04 1rw5 h GLU 39 Ca 0.34 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1rw5 h GLU 39 Cb -0.04 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.02 1rw5 h GLU 39 CO -0.10 0.76 -0.03 0.35 -1.00 0.00 0.00 179.01 178.99 1rw5 h PHE 40 N 1.00 -0.09 -0.83 4.33 3.04 -0.95 -2.77 116.94 120.67 1rw5 h PHE 40 Ca 0.25 -0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.36 1rw5 h PHE 40 Cb 0.08 0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.56 1rw5 h PHE 40 CO 0.01 0.49 0.55 0.22 -2.02 0.00 0.00 178.31 177.55 1rw5 h ASP 41 N -0.80 0.46 0.15 0.41 3.58 0.91 -0.53 116.42 120.61 1rw5 h ASP 41 Ca -0.01 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1rw5 h ASP 41 Cb 0.61 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1rw5 h ASP 41 CO 0.02 0.22 -0.18 0.29 -2.88 0.00 0.00 179.24 176.71 1rw5 n LYS 42 N -4.51 1.12 -0.04 0.28 4.01 0.15 -0.47 118.16 118.70 1rw5 n LYS 42 Ca 0.17 -0.67 -0.03 0.00 -0.51 0.00 0.00 58.31 57.26 1rw5 n LYS 42 Cb 0.56 -1.49 -0.01 0.00 -0.51 0.00 0.00 35.03 33.58 1rw5 n LYS 42 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1rw5 n ARG 43 N -0.36 0.21 0.05 1.97 1.74 -0.22 -4.24 116.66 115.81 1rw5 n ARG 43 Ca 0.14 0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.41 1rw5 n ARG 43 Cb 0.36 -0.90 -0.07 0.00 -1.02 0.00 0.00 32.46 30.83 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 -3.27 0.69 -1.34 -1.55 4.01 -1.11 -4.26 117.16 110.32 1rw5 n TYR 44 Ca -0.05 0.21 0.06 0.00 -0.16 0.00 0.00 57.90 57.96 1rw5 n TYR 44 Cb 0.20 -0.88 0.19 0.00 -0.31 0.00 0.00 39.34 38.53 1rw5 n TYR 44 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1rw5 n THR 45 N -2.63 2.16 -0.28 -0.72 -2.24 -1.21 -4.59 114.28 104.77 1rw5 n THR 45 Ca -0.05 -2.71 0.03 0.00 -2.27 0.00 0.00 64.05 59.05 1rw5 n THR 45 Cb 0.65 -0.25 0.16 0.00 -2.10 0.00 0.00 70.33 68.79 1rw5 n THR 45 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1rw5 h HIS 46 N 0.74 0.80 -0.28 4.78 6.17 -0.95 -3.32 115.15 123.09 1rw5 h HIS 46 Ca 0.04 0.03 -0.23 0.00 0.71 0.00 0.00 60.37 60.92 1rw5 h HIS 46 Cb 1.15 -0.24 -0.27 0.00 2.52 0.00 0.00 27.41 30.57 1rw5 h HIS 46 CO 0.52 0.32 -0.70 0.41 0.71 0.00 0.00 177.93 179.19 1rw5 n GLY 47 N -1.32 1.79 0.37 5.26 0.00 -1.26 -4.94 105.19 105.09 1rw5 n GLY 47 Ca 0.13 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 1.96 0.78 0.00 1.61 9.65 -1.81 -3.46 114.38 123.11 1rw5 h ARG 48 Ca -0.27 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 1rw5 h ARG 48 Cb 1.27 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1rw5 h ARG 48 CO 0.04 0.52 0.00 0.41 2.80 0.00 0.00 179.97 183.74 1rw5 n GLY 49 N -1.41 2.98 1.37 2.80 0.00 -1.26 -4.82 105.19 104.85 1rw5 n GLY 49 Ca 0.17 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1rw5 n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rw5 n PHE 50 N 0.00 1.24 -4.64 1.61 -1.74 -1.26 -4.91 117.46 107.77 1rw5 n PHE 50 Ca 0.00 -0.50 -0.31 0.00 -0.56 0.00 0.00 57.45 56.09 1rw5 n PHE 50 Cb 0.00 -0.21 -0.13 0.00 1.52 0.00 0.00 39.48 40.67 1rw5 n PHE 50 CO 0.00 0.00 0.00 0.96 -0.56 0.00 0.00 176.76 177.16 1rw5 s ILE 51 N -1.78 2.73 -0.04 1.97 -4.36 -1.26 -5.09 121.20 113.37 1rw5 s ILE 51 Ca 0.43 -1.25 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1rw5 s ILE 51 Cb 0.27 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.83 1rw5 s ILE 51 CO 0.21 0.31 -0.13 -0.89 0.24 0.00 0.00 174.94 174.68 1rw5 s THR 52 N -0.94 1.15 0.24 8.37 2.01 -1.26 -5.01 115.64 120.21 1rw5 s THR 52 Ca 0.15 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1rw5 s THR 52 Cb -0.10 -1.01 0.24 0.00 0.01 0.00 0.00 72.50 71.63 1rw5 s THR 52 CO 0.05 0.35 1.90 0.50 -0.69 0.00 0.00 174.62 176.73 1rw5 h LYS 53 N 6.44 1.30 -6.18 4.92 3.64 -2.02 -3.37 116.57 121.30 1rw5 h LYS 53 Ca -0.32 -0.11 -0.60 0.00 -1.27 0.00 0.00 60.65 58.35 1rw5 h LYS 53 Cb 1.18 -0.28 -0.10 0.00 -0.41 0.00 0.00 32.23 32.61 1rw5 h LYS 53 CO 0.48 0.89 0.62 0.00 -2.27 0.00 0.00 179.45 179.18 1rw5 s ALA 54 N -6.01 3.21 0.02 5.00 0.00 -1.26 -5.01 121.76 117.70 1rw5 s ALA 54 Ca -0.13 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.09 1rw5 s ALA 54 Cb 0.17 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1rw5 s ALA 54 CO 0.82 -2.14 -0.25 0.42 0.00 0.00 0.00 175.76 174.62 1rw5 s ILE 55 N 3.88 2.21 -0.47 0.00 1.01 -1.26 -5.01 121.20 121.56 1rw5 s ILE 55 Ca 0.37 -1.24 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1rw5 s ILE 55 Cb -0.10 -1.83 0.62 0.00 0.01 0.00 0.00 42.46 41.16 1rw5 s ILE 55 CO 0.26 0.45 1.92 -3.20 0.00 0.00 0.00 174.94 174.37 1rw5 n ASN 56 N 2.02 4.32 -4.45 3.58 2.85 -1.26 -4.92 115.26 117.40 1rw5 n ASN 56 Ca -0.17 -3.60 -0.33 0.00 -0.11 0.00 0.00 54.58 50.38 1rw5 n ASN 56 Cb 0.52 -0.85 -0.13 0.00 1.24 0.00 0.00 39.78 40.55 1rw5 n ASN 56 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1rw5 s SER 57 N -1.32 4.14 0.00 1.20 0.15 -1.26 -5.09 113.70 111.52 1rw5 s SER 57 Ca 0.57 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1rw5 s SER 57 Cb 0.47 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1rw5 s SER 57 CO 0.09 0.27 0.00 0.00 1.20 0.00 0.00 173.24 174.80 1rw5 n HIS 59 N -0.08 0.94 0.28 0.00 8.25 -1.26 -3.98 115.22 119.37 1rw5 n HIS 59 Ca 0.00 0.32 0.18 0.00 -0.26 0.00 0.00 57.72 57.96 1rw5 n HIS 59 Cb 0.00 -1.17 0.74 0.00 1.12 0.00 0.00 29.99 30.68 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 0.01 0.01 -0.06 1.59 1.35 -1.95 -2.60 112.91 111.24 1rw5 h THR 60 Ca -0.32 -0.47 0.02 0.00 -0.55 0.00 0.00 66.41 65.09 1rw5 h THR 60 Cb 2.03 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1rw5 h THR 60 CO 0.07 0.00 0.06 0.77 -0.25 0.00 0.00 175.52 176.17 1rw5 h SER 61 N 0.00 0.00 -0.01 5.36 4.64 -1.98 -0.26 113.55 121.30 1rw5 h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rw5 h SER 61 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1rw5 h SER 61 CO 0.00 0.00 0.01 0.77 -0.87 0.00 0.00 176.83 176.74 1rw5 h SER 62 N 0.00 0.00 -3.29 4.97 4.64 -1.70 -3.43 113.55 114.74 1rw5 h SER 62 Ca 0.03 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.90 1rw5 h SER 62 Cb 0.14 0.00 0.22 0.00 -0.31 0.00 0.00 62.40 62.45 1rw5 h SER 62 CO -0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1rw5 n LEU 63 N -4.01 -1.14 -2.19 5.97 7.99 -0.11 -4.87 117.00 118.64 1rw5 n LEU 63 Ca -0.03 -0.13 -0.27 0.00 -0.01 0.00 0.00 56.01 55.58 1rw5 n LEU 63 Cb 0.10 -1.28 0.05 0.00 -0.11 0.00 0.00 43.42 42.19 1rw5 n LEU 63 CO 0.29 -3.22 1.37 0.00 -1.51 0.00 0.00 177.39 174.32 1rw5 n ALA 64 N -4.96 5.84 -1.02 -1.18 0.00 -1.26 -4.98 120.51 112.95 1rw5 n ALA 64 Ca 0.04 -2.71 -0.32 0.00 0.00 0.00 0.00 53.44 50.44 1rw5 n ALA 64 Cb 0.54 -1.64 0.13 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.59 2.21 0.32 0.00 -4.23 -1.26 -4.91 115.64 104.19 1rw5 s THR 65 Ca 0.49 0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.79 1rw5 s THR 65 Cb 0.38 -2.39 -0.12 0.00 1.34 0.00 0.00 72.50 71.72 1rw5 s THR 65 CO -0.05 -0.08 1.54 -0.81 -0.54 0.00 0.00 174.62 174.69 1rw5 n PRO 66 N -3.53 2.64 -0.09 3.99 -0.04 -1.26 -4.91 135.00 131.80 1rw5 n PRO 66 Ca 0.13 0.93 -0.02 0.00 -0.04 0.00 0.00 63.50 64.50 1rw5 n PRO 66 Cb 0.51 -2.69 0.22 0.00 -0.04 0.00 0.00 33.50 31.51 1rw5 n PRO 66 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1rw5 h GLU 67 N 4.15 0.74 -3.65 0.54 4.81 -1.93 -3.46 114.58 115.78 1rw5 h GLU 67 Ca -0.48 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.46 1rw5 h GLU 67 Cb 1.23 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 1rw5 h GLU 67 CO 0.74 0.69 -0.02 0.16 -0.73 0.00 0.00 179.01 179.85 1rw5 s ASP 68 N -6.62 0.42 0.42 1.04 1.47 -1.26 -5.02 116.67 107.12 1rw5 s ASP 68 Ca -0.09 -1.25 0.10 0.00 1.18 0.00 0.00 52.55 52.48 1rw5 s ASP 68 Cb 0.15 0.71 0.91 0.00 -0.34 0.00 0.00 42.92 44.36 1rw5 s ASP 68 CO 0.79 -1.40 2.03 0.07 0.68 0.00 0.00 175.17 177.34 1rw5 h LYS 69 N 2.10 0.33 -0.49 2.11 2.10 -2.00 -1.85 116.57 118.87 1rw5 h LYS 69 Ca -0.29 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.27 1rw5 h LYS 69 Cb 1.25 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.49 1rw5 h LYS 69 CO 0.38 0.30 0.11 0.93 -2.00 0.00 0.00 179.45 179.16 1rw5 h GLU 70 N 0.33 0.80 -0.26 0.07 5.08 -1.99 -2.45 114.58 116.16 1rw5 h GLU 70 Ca 0.08 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1rw5 h GLU 70 Cb 0.10 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1rw5 h GLU 70 CO -0.01 0.79 -0.22 0.37 -1.00 0.00 0.00 179.01 178.94 1rw5 h GLN 71 N 0.68 0.48 -0.82 2.33 4.15 -1.82 -2.49 115.11 117.62 1rw5 h GLN 71 Ca 0.15 -0.17 0.06 0.00 0.77 0.00 0.00 58.65 59.46 1rw5 h GLN 71 Cb 0.36 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.95 1rw5 h GLN 71 CO 0.00 0.68 0.50 0.00 -1.93 0.00 0.00 178.83 178.08 1rw5 h ALA 72 N 1.34 1.13 -0.81 3.38 0.00 -0.90 0.30 119.26 123.70 1rw5 h ALA 72 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1rw5 h ALA 72 Cb 0.62 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1rw5 h ALA 72 CO 0.04 0.23 0.40 0.37 0.00 0.00 0.00 179.25 180.30 1rw5 h GLN 73 N 0.91 1.16 -0.36 0.00 4.15 -1.11 -1.18 115.11 118.68 1rw5 h GLN 73 Ca 0.36 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.58 1rw5 h GLN 73 Cb 0.18 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 1rw5 h GLN 73 CO -0.18 0.88 0.04 1.96 -1.93 0.00 0.00 178.83 179.60 1rw5 h GLN 74 N 1.15 0.55 0.00 1.69 4.20 -0.41 -3.31 115.11 118.98 1rw5 h GLN 74 Ca 0.28 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1rw5 h GLN 74 Cb 0.10 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1rw5 h GLN 74 CO -0.04 0.55 0.00 -1.33 -0.67 0.00 0.00 178.83 177.34 1rw5 n MET 75 N -4.30 0.00 -3.89 1.46 2.81 0.77 -4.82 117.12 109.14 1rw5 n MET 75 Ca 0.02 0.06 -0.29 0.00 -1.81 0.00 0.00 57.70 55.68 1rw5 n MET 75 Cb 0.22 -0.81 0.03 0.00 -0.71 0.00 0.00 33.22 31.95 1rw5 n MET 75 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1rw5 n ASN 76 N -0.37 -4.56 -3.79 7.83 5.15 -1.19 -4.95 115.26 113.37 1rw5 n ASN 76 Ca 0.00 -0.78 -0.16 0.00 -0.60 0.00 0.00 54.58 53.05 1rw5 n ASN 76 Cb 0.00 -3.93 -0.09 0.00 -0.53 0.00 0.00 39.78 35.23 1rw5 n ASN 76 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1rw5 s GLN 77 N -6.57 1.47 0.31 1.20 -0.21 -1.26 -5.01 119.66 109.59 1rw5 s GLN 77 Ca 0.61 -1.81 0.22 0.00 0.02 0.00 0.00 55.36 54.40 1rw5 s GLN 77 Cb -0.30 0.30 1.14 0.00 1.00 0.00 0.00 33.01 35.15 1rw5 s GLN 77 CO 0.83 -0.52 1.68 0.36 -2.12 0.00 0.00 175.29 175.51 1rw5 n LYS 78 N -0.44 0.15 -0.35 2.91 2.85 -1.26 -2.69 118.16 119.33 1rw5 n LYS 78 Ca 0.05 0.59 0.09 0.00 -1.05 0.00 0.00 58.31 57.99 1rw5 n LYS 78 Cb 0.64 -1.95 0.28 0.00 -0.65 0.00 0.00 35.03 33.35 1rw5 n LYS 78 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1rw5 h ASP 79 N 0.00 0.87 -0.46 -5.58 3.32 -1.96 -0.21 116.42 112.39 1rw5 h ASP 79 Ca 0.00 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1rw5 h ASP 79 Cb 0.08 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1rw5 h ASP 79 CO 0.00 0.42 0.22 -0.26 -1.72 0.00 0.00 179.24 177.90 1rw5 h PHE 80 N 0.91 0.40 -0.60 4.55 -1.00 -1.93 0.92 116.94 120.19 1rw5 h PHE 80 Ca 0.51 0.02 0.01 0.00 2.81 0.00 0.00 57.97 61.32 1rw5 h PHE 80 Cb 0.62 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.03 1rw5 h PHE 80 CO -0.00 0.19 0.39 -0.07 -1.61 0.00 0.00 178.31 177.21 1rw5 h LEU 81 N 0.44 0.67 -0.68 1.54 4.07 -1.27 -2.11 115.31 117.96 1rw5 h LEU 81 Ca 0.20 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.06 1rw5 h LEU 81 Cb 0.13 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1rw5 h LEU 81 CO -0.15 0.48 0.01 -1.28 -1.08 0.00 0.00 178.44 176.42 1rw5 h SER 82 N 0.79 1.00 -0.71 -0.43 0.87 -0.66 -2.99 113.55 111.42 1rw5 h SER 82 Ca 0.22 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1rw5 h SER 82 Cb -0.07 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.59 1rw5 h SER 82 CO -0.06 1.05 0.42 -0.07 -0.53 0.00 0.00 176.83 177.63 1rw5 h LEU 83 N 0.95 0.86 -0.36 2.23 3.38 -0.34 -2.45 115.31 119.57 1rw5 h LEU 83 Ca 0.17 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1rw5 h LEU 83 Cb 0.53 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1rw5 h LEU 83 CO 0.03 0.68 0.09 0.40 0.09 0.00 0.00 178.44 179.72 1rw5 h ILE 84 N 0.96 0.84 -0.41 1.22 2.04 -1.25 0.67 117.51 121.58 1rw5 h ILE 84 Ca 0.25 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.05 1rw5 h ILE 84 Cb -0.01 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1rw5 h ILE 84 CO -0.05 0.04 0.24 0.58 0.00 0.00 0.00 178.15 178.96 1rw5 h VAL 85 N 0.22 1.04 -0.60 1.67 2.07 -1.45 -0.19 116.25 119.01 1rw5 h VAL 85 Ca 0.17 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1rw5 h VAL 85 Cb 0.18 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1rw5 h VAL 85 CO -0.21 0.09 0.21 0.28 0.02 0.00 0.00 177.57 177.96 1rw5 h SER 86 N 0.48 0.86 0.43 0.57 0.02 -0.95 -1.43 113.55 113.53 1rw5 h SER 86 Ca 0.16 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1rw5 h SER 86 Cb 0.01 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.33 1rw5 h SER 86 CO -0.08 0.82 -0.21 0.40 -1.14 0.00 0.00 176.83 176.62 1rw5 h ILE 87 N 0.85 0.49 -0.70 3.27 2.04 -0.48 -1.56 117.51 121.42 1rw5 h ILE 87 Ca 0.20 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.67 1rw5 h ILE 87 Cb 0.25 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1rw5 h ILE 87 CO -0.01 0.07 0.41 -0.07 0.00 0.00 0.00 178.15 178.55 1rw5 h LEU 88 N -0.87 0.62 -1.14 1.44 3.38 -1.04 -1.71 115.31 115.99 1rw5 h LEU 88 Ca -0.06 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1rw5 h LEU 88 Cb 0.56 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1rw5 h LEU 88 CO 0.10 0.40 -0.31 0.03 0.09 0.00 0.00 178.44 178.75 1rw5 h ARG 89 N 0.75 0.21 -0.14 1.13 3.08 -1.28 -2.49 114.38 115.65 1rw5 h ARG 89 Ca 0.31 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.29 1rw5 h ARG 89 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1rw5 h ARG 89 CO -0.17 0.50 0.09 0.66 -1.07 0.00 0.00 179.97 179.98 1rw5 h SER 90 N 0.19 0.12 0.45 7.04 4.64 -0.32 -1.74 113.55 123.92 1rw5 h SER 90 Ca 0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rw5 h SER 90 Cb 0.64 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1rw5 h SER 90 CO 0.05 0.08 -0.77 0.79 -0.87 0.00 0.00 176.83 176.11 1rw5 n TRP 91 N -4.52 0.16 -0.28 4.77 5.03 -0.96 -4.18 117.44 117.46 1rw5 n TRP 91 Ca -0.01 0.05 -0.04 0.00 3.03 0.00 0.00 57.50 60.53 1rw5 n TRP 91 Cb 0.12 -0.33 0.08 0.00 -1.03 0.00 0.00 31.31 30.15 1rw5 n TRP 91 CO 0.00 0.00 0.00 -0.97 -0.03 0.00 0.00 177.69 176.69 1rw5 h ASN 92 N 0.00 0.87 0.20 -0.99 -0.73 -1.02 -1.76 115.58 112.15 1rw5 h ASN 92 Ca 0.00 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 1rw5 h ASN 92 Cb 0.61 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 38.99 1rw5 h ASN 92 CO 0.00 0.62 -0.10 -0.08 -0.37 0.00 0.00 177.43 177.50 1rw5 h GLU 93 N 1.02 -0.26 -0.91 6.67 4.81 -1.73 -3.15 114.58 121.03 1rw5 h GLU 93 Ca 0.29 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 59.76 1rw5 h GLU 93 Cb -0.08 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.24 1rw5 h GLU 93 CO -0.08 0.06 0.43 -1.35 -0.73 0.00 0.00 179.01 177.35 1rw5 h PRO 94 N -0.97 0.43 -0.34 0.92 0.11 -1.71 0.17 132.00 130.60 1rw5 h PRO 94 Ca -0.03 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.00 1rw5 h PRO 94 Cb 0.44 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1rw5 h PRO 94 CO 0.05 0.29 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.01 1rw5 h LEU 95 N 0.44 0.53 -0.28 2.35 3.38 -1.41 -2.25 115.31 118.06 1rw5 h LEU 95 Ca 0.57 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.48 1rw5 h LEU 95 Cb 1.07 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 1rw5 h LEU 95 CO -0.51 0.63 -0.04 0.22 0.09 0.00 0.00 178.44 178.83 1rw5 h TYR 96 N 0.52 -0.09 -0.42 1.13 3.20 -0.60 -1.08 116.97 119.63 1rw5 h TYR 96 Ca 0.11 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 1rw5 h TYR 96 Cb 0.40 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1rw5 h TYR 96 CO 0.01 -0.09 -0.30 0.45 -1.64 0.00 0.00 178.16 176.60 1rw5 h HIS 97 N 0.04 1.12 -0.78 -3.82 3.86 -1.43 -2.27 115.15 111.86 1rw5 h HIS 97 Ca 0.14 -0.30 0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1rw5 h HIS 97 Cb 0.20 -0.25 -0.07 0.00 1.06 0.00 0.00 27.41 28.35 1rw5 h HIS 97 CO -0.25 1.13 0.43 -0.07 0.86 0.00 0.00 177.93 180.03 1rw5 h LEU 98 N 0.78 0.60 -0.35 2.43 3.38 -0.84 0.13 115.31 121.44 1rw5 h LEU 98 Ca 0.08 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 1rw5 h LEU 98 Cb 0.89 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1rw5 h LEU 98 CO 0.08 0.34 -0.20 0.58 0.09 0.00 0.00 178.44 179.33 1rw5 h VAL 99 N 0.72 1.29 -0.08 1.22 2.07 -1.08 -0.93 116.25 119.46 1rw5 h VAL 99 Ca 0.38 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1rw5 h VAL 99 Cb 0.37 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1rw5 h VAL 99 CO -0.25 0.44 0.01 0.71 0.02 0.00 0.00 177.57 178.49 1rw5 h THR 100 N 0.53 1.23 -0.62 2.57 1.35 -0.73 0.12 112.91 117.35 1rw5 h THR 100 Ca 0.07 -0.70 -0.07 0.00 -0.55 0.00 0.00 66.41 65.16 1rw5 h THR 100 Cb 0.75 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1rw5 h THR 100 CO 0.06 0.20 0.10 -0.33 -0.25 0.00 0.00 175.52 175.29 1rw5 h GLU 101 N -0.12 1.03 -0.69 4.72 4.39 -0.81 -2.78 114.58 120.33 1rw5 h GLU 101 Ca 0.02 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.37 1rw5 h GLU 101 Cb 0.30 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1rw5 h GLU 101 CO 0.00 0.97 0.12 0.28 -1.16 0.00 0.00 179.01 179.22 1rw5 h VAL 102 N 0.94 1.26 -0.95 3.13 2.07 -1.08 -2.27 116.25 119.35 1rw5 h VAL 102 Ca 0.19 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.75 1rw5 h VAL 102 Cb 0.43 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1rw5 h VAL 102 CO 0.01 0.39 0.61 -0.09 0.02 0.00 0.00 177.57 178.52 1rw5 h ARG 103 N 1.06 1.01 -0.18 1.57 2.43 -0.70 0.41 114.38 119.98 1rw5 h ARG 103 Ca 0.21 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1rw5 h ARG 103 Cb 0.44 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1rw5 h ARG 103 CO 0.01 0.67 0.00 0.41 -1.51 0.00 0.00 179.97 179.55 1rw5 n GLY 104 N -1.38 0.22 3.55 2.80 0.00 -1.01 -4.80 105.19 104.57 1rw5 n GLY 104 Ca 0.16 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.77 3.50 0.22 1.61 -2.45 0.14 -4.91 119.30 115.64 1rw5 s MET 105 Ca 0.30 0.03 -0.08 0.00 -1.25 0.00 0.00 55.69 54.69 1rw5 s MET 105 Cb 0.16 -3.91 0.19 0.00 1.25 0.00 0.00 34.83 32.52 1rw5 s MET 105 CO 0.24 -1.08 1.84 1.96 1.05 0.00 0.00 175.02 179.04 1rw5 h GLN 106 N 8.89 1.20 0.00 4.11 4.20 -1.87 0.48 115.11 132.11 1rw5 h GLN 106 Ca -0.25 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.25 1rw5 h GLN 106 Cb 1.09 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1rw5 h GLN 106 CO 0.96 0.88 -0.36 0.93 -0.67 0.00 0.00 178.83 180.57 1rw5 h GLU 107 N 1.19 0.00 -2.19 1.46 5.08 -1.95 -3.32 114.58 114.86 1rw5 h GLU 107 Ca 0.30 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.08 1rw5 h GLU 107 Cb 0.03 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.88 1rw5 h GLU 107 CO -0.05 0.36 -0.90 0.00 -1.00 0.00 0.00 179.01 177.42 1rw5 n ALA 108 N -2.45 3.03 -0.06 3.43 0.00 -0.54 -4.95 120.51 118.98 1rw5 n ALA 108 Ca -0.02 -3.84 -0.02 0.00 0.00 0.00 0.00 53.44 49.56 1rw5 n ALA 108 Cb 0.40 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 19.00 1rw5 n ALA 108 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rw5 h PRO 109 N 4.38 0.00 0.00 0.00 0.13 -1.06 -3.38 132.00 132.07 1rw5 h PRO 109 Ca 0.14 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 1rw5 h PRO 109 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1rw5 h PRO 109 CO 0.58 0.00 -1.50 -1.91 -0.23 0.00 0.00 178.00 174.94 1rw5 n GLU 110 N -4.62 1.04 0.00 0.86 2.13 -1.26 -4.13 120.64 114.66 1rw5 n GLU 110 Ca -0.04 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.72 1rw5 n GLU 110 Cb 0.13 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.61 1rw5 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rw5 n ALA 111 N -2.00 -0.39 0.17 4.31 0.00 -1.26 -1.16 120.51 120.18 1rw5 n ALA 111 Ca -0.06 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.41 1rw5 n ALA 111 Cb 0.43 0.08 0.26 0.00 0.00 0.00 0.00 19.45 20.22 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 1.07 -0.54 0.00 2.04 -1.86 -3.15 117.51 115.09 1rw5 h ILE 112 Ca 0.00 -1.78 -0.05 0.00 1.00 0.00 0.00 64.86 64.04 1rw5 h ILE 112 Cb 0.00 2.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1rw5 h ILE 112 CO 0.00 0.46 0.14 0.25 0.00 0.00 0.00 178.15 179.00 1rw5 h LEU 113 N 0.00 0.75 -0.89 1.44 6.46 -1.70 -0.89 115.31 120.49 1rw5 h LEU 113 Ca -0.00 -0.13 0.07 0.00 -0.12 0.00 0.00 57.88 57.69 1rw5 h LEU 113 Cb 1.00 -0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.67 1rw5 h LEU 113 CO 0.06 0.73 0.56 0.28 -0.62 0.00 0.00 178.44 179.45 1rw5 h SER 114 N 0.79 0.88 0.41 1.25 0.02 -1.09 0.21 113.55 116.02 1rw5 h SER 114 Ca 0.18 0.02 -0.27 0.00 -0.84 0.00 0.00 61.79 60.88 1rw5 h SER 114 Cb 0.27 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.65 1rw5 h SER 114 CO -0.00 0.55 -1.15 0.11 -1.14 0.00 0.00 176.83 175.20 1rw5 h LYS 115 N 1.01 0.40 -0.49 3.45 1.79 -1.62 -3.08 116.57 118.02 1rw5 h LYS 115 Ca 0.39 -0.55 -0.11 0.00 -2.18 0.00 0.00 60.65 58.20 1rw5 h LYS 115 Cb 0.19 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1rw5 h LYS 115 CO -0.18 1.22 -0.11 0.00 -1.08 0.00 0.00 179.45 179.30 1rw5 h ALA 116 N 0.56 0.68 -0.29 3.86 0.00 -0.44 0.33 119.26 123.96 1rw5 h ALA 116 Ca -0.13 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1rw5 h ALA 116 Cb 1.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1rw5 h ALA 116 CO 0.20 0.59 -0.28 -0.24 0.00 0.00 0.00 179.25 179.52 1rw5 h VAL 117 N 0.80 1.28 0.00 0.00 3.04 -0.70 -2.70 116.25 117.97 1rw5 h VAL 117 Ca 0.13 -1.36 -0.22 0.00 -1.01 0.00 0.00 66.70 64.24 1rw5 h VAL 117 Cb 0.67 1.35 -0.03 0.00 -2.01 0.00 0.00 31.29 31.26 1rw5 h VAL 117 CO 0.05 0.44 -1.18 1.05 -1.01 0.00 0.00 177.57 176.91 1rw5 h GLU 118 N 0.52 0.00 -0.31 4.17 4.11 -1.43 -3.20 114.58 118.44 1rw5 h GLU 118 Ca 0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.32 1rw5 h GLU 118 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1rw5 h GLU 118 CO 0.06 0.74 -0.50 0.97 0.07 0.00 0.00 179.01 180.35 1rw5 h ILE 119 N 0.00 1.28 -0.25 -1.06 2.10 -0.27 -1.07 117.51 118.24 1rw5 h ILE 119 Ca -0.10 -1.68 -0.11 0.00 1.08 0.00 0.00 64.86 64.05 1rw5 h ILE 119 Cb 1.78 1.56 -0.01 0.00 -1.09 0.00 0.00 36.82 39.06 1rw5 h ILE 119 CO 0.10 0.55 -0.30 -0.08 -1.08 0.00 0.00 178.15 177.34 1rw5 h GLU 120 N 0.67 0.51 -0.04 2.19 4.81 -1.60 -2.46 114.58 118.65 1rw5 h GLU 120 Ca 0.03 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 58.90 1rw5 h GLU 120 Cb 1.09 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.46 1rw5 h GLU 120 CO 0.11 0.76 -0.55 0.93 -0.73 0.00 0.00 179.01 179.52 1rw5 h GLU 121 N 0.44 0.45 -0.36 1.92 5.08 -1.52 -3.19 114.58 117.40 1rw5 h GLU 121 Ca 0.06 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 1rw5 h GLU 121 Cb 0.75 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1rw5 h GLU 121 CO 0.06 1.08 0.05 0.37 -1.00 0.00 0.00 179.01 179.56 1rw5 h GLN 122 N -0.01 0.54 -0.40 2.33 5.75 -1.18 -2.19 115.11 119.95 1rw5 h GLN 122 Ca -0.06 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 1rw5 h GLN 122 Cb 1.23 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1rw5 h GLN 122 CO 0.11 0.53 0.13 1.79 -2.65 0.00 0.00 178.83 178.74 1rw5 h THR 123 N 0.53 1.17 -0.05 2.39 1.35 -1.46 -0.96 112.91 115.86 1rw5 h THR 123 Ca 0.12 -0.55 -0.22 0.00 -0.55 0.00 0.00 66.41 65.21 1rw5 h THR 123 Cb 0.26 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1rw5 h THR 123 CO 0.00 0.21 -0.85 0.11 -0.25 0.00 0.00 175.52 174.74 1rw5 h LYS 124 N 0.57 0.51 -0.43 4.72 1.57 -1.40 -2.96 116.57 119.15 1rw5 h LYS 124 Ca 0.14 -0.48 -0.06 0.00 -1.87 0.00 0.00 60.65 58.38 1rw5 h LYS 124 Cb 0.16 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1rw5 h LYS 124 CO -0.01 1.11 0.02 0.00 -0.57 0.00 0.00 179.45 180.01 1rw5 h ARG 125 N 0.32 0.74 -0.55 3.15 3.08 -1.11 -2.17 114.38 117.85 1rw5 h ARG 125 Ca -0.06 -0.22 0.09 0.00 0.07 0.00 0.00 59.98 59.85 1rw5 h ARG 125 Cb 1.47 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 1rw5 h ARG 125 CO 0.15 0.80 0.37 1.25 -1.07 0.00 0.00 179.97 181.47 1rw5 h LEU 126 N 0.59 0.34 -0.46 3.04 6.46 -1.18 -1.34 115.31 122.76 1rw5 h LEU 126 Ca 0.13 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1rw5 h LEU 126 Cb 0.45 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 1rw5 h LEU 126 CO 0.02 0.21 0.21 -0.07 -0.62 0.00 0.00 178.44 178.19 1rw5 h LEU 127 N 0.38 0.62 -0.81 2.25 3.38 -1.22 -0.66 115.31 119.25 1rw5 h LEU 127 Ca 0.25 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1rw5 h LEU 127 Cb 0.48 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1rw5 h LEU 127 CO -0.06 0.59 0.34 -0.33 0.09 0.00 0.00 178.44 179.07 1rw5 h GLU 128 N 0.60 1.20 -0.41 1.13 5.08 -1.14 0.90 114.58 121.95 1rw5 h GLU 128 Ca 0.16 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1rw5 h GLU 128 Cb 0.15 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1rw5 h GLU 128 CO -0.02 0.96 0.18 0.78 -1.00 0.00 0.00 179.01 179.91 1rw5 h GLY 129 N 1.18 0.64 1.85 -3.84 0.00 -1.09 -2.88 103.07 98.93 1rw5 h GLY 129 Ca 0.27 -0.34 -0.20 0.00 0.00 0.00 0.00 47.33 47.07 1rw5 h GLY 129 CO -0.03 0.32 -1.01 0.00 0.00 0.00 0.00 176.54 175.83 1rw5 h MET 130 N 0.51 0.00 -0.21 4.80 -0.00 -0.74 -3.26 114.93 116.02 1rw5 h MET 130 Ca 0.14 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.80 1rw5 h MET 130 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.75 1rw5 h MET 130 CO -0.01 0.84 -0.03 0.93 -0.00 0.00 0.00 176.91 178.63 1rw5 h GLU 131 N 0.00 0.32 0.00 -0.10 5.08 0.93 -1.18 114.58 119.63 1rw5 h GLU 131 Ca -0.04 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 1rw5 h GLU 131 Cb 1.73 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 1rw5 h GLU 131 CO 0.11 0.37 -0.60 1.37 -1.00 0.00 0.00 179.01 179.26 1rw5 h LEU 132 N 0.31 0.00 0.50 1.33 8.10 -1.58 -2.73 115.31 121.23 1rw5 h LEU 132 Ca 0.07 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.04 1rw5 h LEU 132 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.49 1rw5 h LEU 132 CO 0.01 0.60 -0.24 0.40 -4.11 0.00 0.00 178.44 175.10 1rw5 h ILE 133 N 0.00 0.32 -0.76 0.15 2.04 -1.28 -1.02 117.51 116.96 1rw5 h ILE 133 Ca -0.01 -0.47 0.10 0.00 1.00 0.00 0.00 64.86 65.48 1rw5 h ILE 133 Cb 1.25 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1rw5 h ILE 133 CO 0.08 0.05 0.50 1.62 0.00 0.00 0.00 178.15 180.40 1rw5 h VAL 134 N -1.02 0.94 0.00 1.67 3.04 -1.52 0.94 116.25 120.31 1rw5 h VAL 134 Ca -0.07 -0.23 -0.01 0.00 -1.01 0.00 0.00 66.70 65.38 1rw5 h VAL 134 Cb 0.60 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.08 1rw5 h VAL 134 CO 0.11 0.12 -0.03 0.28 -1.01 0.00 0.00 177.57 177.04 1rw5 h SER 135 N 0.68 0.00 0.00 3.17 0.02 -1.32 -1.58 113.55 114.52 1rw5 h SER 135 Ca 0.35 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.00 1rw5 h SER 135 Cb 0.46 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1rw5 h SER 135 CO -0.13 0.03 -2.13 0.00 -1.14 0.00 0.00 176.83 173.46 1rw5 n GLN 136 N -3.15 0.62 -0.19 3.45 6.02 0.66 -3.87 117.38 120.92 1rw5 n GLN 136 Ca -0.00 0.10 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 1rw5 n GLN 136 Cb 0.29 -1.40 0.02 0.00 1.02 0.00 0.00 30.24 30.16 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 1.24 -2.43 5.09 2.07 0.71 -3.39 116.25 119.54 1rw5 h VAL 137 Ca -0.44 -0.84 -0.44 0.00 0.82 0.00 0.00 66.70 65.80 1rw5 h VAL 137 Cb 1.73 0.77 -0.36 0.00 -1.52 0.00 0.00 31.29 31.90 1rw5 h VAL 137 CO -0.06 0.31 -0.72 -1.00 0.02 0.00 0.00 177.57 176.12 1rw5 s HIS 138 N -5.34 -0.03 0.53 1.57 3.76 -0.60 -5.00 115.29 110.18 1rw5 s HIS 138 Ca -0.13 -0.64 0.36 0.00 -0.15 0.00 0.00 55.06 54.51 1rw5 s HIS 138 Cb 0.12 -0.67 1.52 0.00 1.11 0.00 0.00 32.58 34.66 1rw5 s HIS 138 CO 0.80 -0.88 1.77 -1.35 -0.85 0.00 0.00 174.74 174.23 1rw5 h PRO 139 N 8.11 0.04 -6.36 8.40 0.11 -1.71 -3.38 132.00 137.21 1rw5 h PRO 139 Ca -0.13 -0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.31 1rw5 h PRO 139 Cb 1.04 -0.01 -0.30 0.00 0.11 0.00 0.00 31.00 31.84 1rw5 h PRO 139 CO 0.36 0.03 -0.88 -1.21 -0.21 0.00 0.00 178.00 176.09 1rw5 s GLU 140 N -5.00 2.05 -0.13 1.05 2.02 -1.26 -4.94 118.70 112.49 1rw5 s GLU 140 Ca -0.05 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.08 1rw5 s GLU 140 Cb 0.24 -1.94 -0.00 0.00 0.10 0.00 0.00 34.13 32.52 1rw5 s GLU 140 CO 0.82 0.50 -0.18 0.99 0.02 0.00 0.00 175.26 177.41 1rw5 s THR 141 N -0.51 2.49 0.36 3.63 2.01 -1.26 -4.99 115.64 117.37 1rw5 s THR 141 Ca 0.07 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1rw5 s THR 141 Cb -0.10 -2.02 0.27 0.00 0.01 0.00 0.00 72.50 70.67 1rw5 s THR 141 CO -0.00 0.53 2.00 0.50 -0.69 0.00 0.00 174.62 176.97 1rw5 h LYS 142 N 7.03 0.77 -6.07 4.92 3.64 -1.96 -3.41 116.57 121.49 1rw5 h LYS 142 Ca -0.28 -0.05 -0.60 0.00 -1.27 0.00 0.00 60.65 58.46 1rw5 h LYS 142 Cb 1.21 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.81 1rw5 h LYS 142 CO 0.54 0.51 -0.24 -2.00 -2.27 0.00 0.00 179.45 175.99 1rw5 s GLU 143 N -5.68 3.79 0.53 1.90 2.12 -1.26 -5.09 118.70 115.01 1rw5 s GLU 143 Ca -0.10 0.23 -0.03 0.00 0.36 0.00 0.00 54.97 55.44 1rw5 s GLU 143 Cb 0.18 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.51 1rw5 s GLU 143 CO 0.76 0.60 0.80 1.21 -0.54 0.00 0.00 175.26 178.09 1rw5 s ASN 144 N -1.55 5.68 -0.81 -1.70 2.47 -1.26 -4.93 114.94 112.84 1rw5 s ASN 144 Ca 0.30 0.50 -0.23 0.00 0.42 0.00 0.00 52.86 53.84 1rw5 s ASN 144 Cb -0.15 -1.59 -0.17 0.00 -1.45 0.00 0.00 41.25 37.89 1rw5 s ASN 144 CO 0.16 -0.92 1.90 -1.84 -3.72 0.00 0.00 177.10 172.68 1rw5 n GLU 145 N -2.36 1.29 -4.65 0.43 0.28 -1.26 -4.88 120.64 109.49 1rw5 n GLU 145 Ca 0.03 -1.92 -0.33 0.00 -0.16 0.00 0.00 57.16 54.79 1rw5 n GLU 145 Cb 0.58 -3.14 -0.11 0.00 1.43 0.00 0.00 31.44 30.19 1rw5 n GLU 145 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1rw5 s ILE 146 N 7.48 3.51 0.31 3.84 1.01 -1.26 -5.00 121.20 131.09 1rw5 s ILE 146 Ca 0.63 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.68 1rw5 s ILE 146 Cb 0.09 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.06 1rw5 s ILE 146 CO 0.15 0.53 0.04 -0.72 0.00 0.00 0.00 174.94 174.95 1rw5 s TYR 147 N -0.84 1.92 0.44 3.97 -0.85 -1.26 -4.40 117.35 116.33 1rw5 s TYR 147 Ca 0.13 -0.92 -0.07 0.00 -0.52 0.00 0.00 57.07 55.69 1rw5 s TYR 147 Cb -0.11 -1.23 0.11 0.00 0.38 0.00 0.00 41.96 41.12 1rw5 s TYR 147 CO 0.03 0.03 0.26 -2.30 -1.52 0.00 0.00 175.55 172.05 1rw5 n PRO 148 N -0.65 -2.87 -2.34 -3.49 -0.02 -1.26 -5.04 135.00 119.34 1rw5 n PRO 148 Ca -0.03 -0.44 -0.04 0.00 -2.02 0.00 0.00 63.50 60.97 1rw5 n PRO 148 Cb 0.66 -0.57 -0.01 0.00 -0.02 0.00 0.00 33.50 33.56 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 -3.85 0.00 -3.64 -1.45 0.24 -1.26 -4.97 118.33 103.40 1rw5 n VAL 149 Ca 0.04 -0.31 -0.36 0.00 -2.04 0.00 0.00 64.34 61.67 1rw5 n VAL 149 Cb 0.18 0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.56 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 -1.38 3.86 0.26 6.34 -0.11 -1.26 -4.84 118.94 121.82 1rw5 s TRP 150 Ca 0.01 -3.00 0.01 0.00 1.22 0.00 0.00 56.10 54.34 1rw5 s TRP 150 Cb 0.00 -3.24 0.35 0.00 -1.50 0.00 0.00 33.47 29.08 1rw5 s TRP 150 CO 0.01 -0.75 1.70 0.77 -4.62 0.00 0.00 176.95 174.06 1rw5 h SER 151 N 6.11 0.57 -2.95 5.86 0.02 -1.99 -3.44 113.55 117.72 1rw5 h SER 151 Ca 0.14 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1rw5 h SER 151 Cb 0.83 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1rw5 h SER 151 CO 0.84 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 177.94 1rw5 n GLY 152 N -0.36 0.36 3.26 -3.77 0.00 -1.26 -4.72 105.19 98.69 1rw5 n GLY 152 Ca -0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 -5.54 -0.35 0.99 7.99 -1.26 -4.88 117.00 113.95 1rw5 n LEU 153 Ca 0.00 -0.49 0.02 0.00 -0.01 0.00 0.00 56.01 55.53 1rw5 n LEU 153 Cb 0.00 -3.05 0.17 0.00 -0.11 0.00 0.00 43.42 40.42 1rw5 n LEU 153 CO 0.00 -0.36 1.23 -0.65 -1.51 0.00 0.00 177.39 176.10 1rw5 h PRO 154 N -0.48 1.04 -1.70 3.23 0.11 -1.92 -3.42 132.00 128.87 1rw5 h PRO 154 Ca -0.36 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 65.79 1rw5 h PRO 154 Cb 1.19 -0.24 -0.22 0.00 0.11 0.00 0.00 31.00 31.85 1rw5 h PRO 154 CO 0.38 0.69 0.02 0.45 -0.21 0.00 0.00 178.00 179.33 1rw5 s SER 155 N -5.83 -0.93 0.44 -2.05 0.15 -1.26 -5.02 113.70 99.20 1rw5 s SER 155 Ca -0.12 1.31 0.15 0.00 0.70 0.00 0.00 55.95 57.99 1rw5 s SER 155 Cb 0.20 1.96 0.98 0.00 -1.71 0.00 0.00 66.02 67.44 1rw5 s SER 155 CO 0.80 -0.19 1.96 -0.07 1.20 0.00 0.00 173.24 176.95 1rw5 h LEU 156 N 7.63 0.00 -2.03 3.45 -0.00 -2.01 -1.83 115.31 120.53 1rw5 h LEU 156 Ca -0.19 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.81 1rw5 h LEU 156 Cb 1.12 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.77 1rw5 h LEU 156 CO 0.11 0.22 0.39 1.56 -0.00 0.00 0.00 178.44 180.72 1rw5 h GLN 157 N 0.00 0.00 -6.04 1.13 4.20 -1.99 -3.41 115.11 109.00 1rw5 h GLN 157 Ca -0.00 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.03 1rw5 h GLN 157 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1rw5 h GLN 157 CO 0.03 0.00 1.33 -0.12 -0.67 0.00 0.00 178.83 179.40 1rw5 n MET 158 N -3.99 1.21 -0.63 1.46 1.56 -0.69 -4.81 117.12 111.23 1rw5 n MET 158 Ca 0.08 0.36 0.09 0.00 -0.27 0.00 0.00 57.70 57.95 1rw5 n MET 158 Cb 0.58 -2.45 0.35 0.00 2.15 0.00 0.00 33.22 33.85 1rw5 n MET 158 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rw5 n ALA 159 N 9.02 3.20 -1.75 -5.12 0.00 -1.26 -4.83 120.51 119.77 1rw5 n ALA 159 Ca 0.37 -1.73 -0.38 0.00 0.00 0.00 0.00 53.44 51.70 1rw5 n ALA 159 Cb 0.23 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.01 5.50 -0.04 0.00 1.01 -1.26 -4.95 116.67 115.91 1rw5 s ASP 160 Ca 0.49 2.65 -0.08 0.00 0.71 0.00 0.00 52.55 56.32 1rw5 s ASP 160 Cb 0.34 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.59 1rw5 s ASP 160 CO 0.20 -1.41 0.40 -0.33 0.21 0.00 0.00 175.17 174.25 1rw5 h GLU 161 N 1.61 -0.29 -0.65 8.23 5.08 -1.99 -2.78 114.58 123.78 1rw5 h GLU 161 Ca -0.50 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1rw5 h GLU 161 Cb 1.29 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.57 1rw5 h GLU 161 CO 0.58 -0.19 0.24 0.93 -1.00 0.00 0.00 179.01 179.57 1rw5 h GLU 162 N -0.88 0.99 -0.46 2.33 5.08 -2.00 -2.94 114.58 116.70 1rw5 h GLU 162 Ca -0.03 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.10 1rw5 h GLU 162 Cb 0.23 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1rw5 h GLU 162 CO 0.05 0.84 0.14 0.77 -1.00 0.00 0.00 179.01 179.81 1rw5 h SER 163 N 0.93 0.67 -0.92 1.42 0.02 -1.97 -2.83 113.55 110.87 1rw5 h SER 163 Ca 0.22 -0.21 0.07 0.00 -0.84 0.00 0.00 61.79 61.02 1rw5 h SER 163 Cb 0.24 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 1rw5 h SER 163 CO -0.01 0.70 0.60 -0.09 -1.14 0.00 0.00 176.83 176.89 1rw5 h ARG 164 N 0.61 1.01 -0.95 3.45 9.65 -1.37 -0.59 114.38 126.20 1rw5 h ARG 164 Ca 0.15 -0.06 0.09 0.00 -1.10 0.00 0.00 59.98 59.06 1rw5 h ARG 164 Cb 0.27 -0.23 -0.07 0.00 -1.39 0.00 0.00 29.97 28.55 1rw5 h ARG 164 CO -0.00 0.67 0.61 -0.07 2.80 0.00 0.00 179.97 183.98 1rw5 h LEU 165 N 1.04 0.91 -1.12 3.80 3.38 -1.33 0.34 115.31 122.33 1rw5 h LEU 165 Ca 0.40 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1rw5 h LEU 165 Cb 0.21 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1rw5 h LEU 165 CO -0.15 0.54 0.43 0.28 0.09 0.00 0.00 178.44 179.63 1rw5 h SER 166 N 1.01 0.92 -0.78 -0.43 0.02 -1.09 0.90 113.55 114.10 1rw5 h SER 166 Ca 0.43 -0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.39 1rw5 h SER 166 Cb 0.33 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 1rw5 h SER 166 CO -0.19 0.73 0.46 0.00 -1.14 0.00 0.00 176.83 176.68 1rw5 h ALA 167 N 1.43 1.07 0.00 3.77 0.00 0.01 -1.91 119.26 123.63 1rw5 h ALA 167 Ca 0.27 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.97 1rw5 h ALA 167 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1rw5 h ALA 167 CO -0.05 0.14 -2.18 0.66 0.00 0.00 0.00 179.25 177.83 1rw5 n TYR 168 N -4.72 0.00 -0.23 0.00 4.01 -0.96 -3.69 117.16 111.58 1rw5 n TYR 168 Ca 0.11 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.78 1rw5 n TYR 168 Cb 0.20 -0.77 0.04 0.00 -0.31 0.00 0.00 39.34 38.50 1rw5 n TYR 168 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1rw5 h TYR 169 N 0.00 0.94 -0.30 -0.72 3.20 0.88 0.64 116.97 121.60 1rw5 h TYR 169 Ca -0.33 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 61.37 1rw5 h TYR 169 Cb 1.73 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 1rw5 h TYR 169 CO 0.00 0.72 -0.25 -0.91 -1.64 0.00 0.00 178.16 176.08 1rw5 h ASN 170 N 0.88 0.74 0.19 -2.11 2.35 -1.52 -2.22 115.58 113.89 1rw5 h ASN 170 Ca 0.22 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1rw5 h ASN 170 Cb 0.15 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1rw5 h ASN 170 CO -0.02 1.04 -0.09 -0.07 -1.65 0.00 0.00 177.43 176.63 1rw5 h LEU 171 N 0.45 -0.22 -1.00 1.61 3.38 -1.57 -2.68 115.31 115.28 1rw5 h LEU 171 Ca 0.05 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1rw5 h LEU 171 Cb 0.81 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 1rw5 h LEU 171 CO 0.06 0.24 0.62 -0.07 0.09 0.00 0.00 178.44 179.39 1rw5 h LEU 172 N -1.06 0.88 0.05 1.67 3.38 0.14 0.85 115.31 121.22 1rw5 h LEU 172 Ca -0.03 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rw5 h LEU 172 Cb 0.20 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1rw5 h LEU 172 CO 0.04 0.43 -0.02 -0.74 0.09 0.00 0.00 178.44 178.24 1rw5 h HIS 173 N 0.92 -0.06 0.00 1.13 2.76 -1.50 -2.25 115.15 116.15 1rw5 h HIS 173 Ca 0.52 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.61 1rw5 h HIS 173 Cb 0.61 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.58 1rw5 h HIS 173 CO -0.01 0.23 -0.37 0.00 -1.30 0.00 0.00 177.93 176.48 1rw5 h LEU 175 N 0.00 1.03 0.39 0.00 6.46 0.98 0.93 115.31 125.10 1rw5 h LEU 175 Ca -0.00 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1rw5 h LEU 175 Cb 0.66 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1rw5 h LEU 175 CO 0.05 0.69 -0.19 -0.09 -0.62 0.00 0.00 178.44 178.28 1rw5 h ARG 176 N 1.19 -0.50 -0.80 1.25 2.43 -0.77 0.23 114.38 117.40 1rw5 h ARG 176 Ca 0.39 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.69 1rw5 h ARG 176 Cb 0.06 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.66 1rw5 h ARG 176 CO -0.13 -0.33 0.45 0.00 -1.51 0.00 0.00 179.97 178.44 1rw5 h ARG 177 N -0.76 0.74 -0.51 0.20 3.08 -1.45 -1.05 114.38 114.62 1rw5 h ARG 177 Ca -0.05 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 1rw5 h ARG 177 Cb 0.40 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1rw5 h ARG 177 CO 0.09 0.49 -0.05 -0.44 -1.07 0.00 0.00 179.97 178.98 1rw5 h ASP 178 N 0.76 0.89 -0.01 7.04 3.32 -0.87 -1.65 116.42 125.89 1rw5 h ASP 178 Ca 0.38 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1rw5 h ASP 178 Cb 0.35 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1rw5 h ASP 178 CO -0.24 0.98 -0.04 -1.28 -1.72 0.00 0.00 179.24 176.93 1rw5 h SER 179 N 0.82 0.13 -0.09 6.45 0.87 0.29 -1.00 113.55 121.02 1rw5 h SER 179 Ca 0.14 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.49 1rw5 h SER 179 Cb 0.56 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1rw5 h SER 179 CO 0.03 0.20 -0.71 -0.74 -0.53 0.00 0.00 176.83 175.08 1rw5 h HIS 180 N 0.14 0.96 -0.20 2.24 -0.00 -0.58 -2.35 115.15 115.36 1rw5 h HIS 180 Ca 0.03 -0.40 0.02 0.00 -0.00 0.00 0.00 60.37 60.02 1rw5 h HIS 180 Cb 0.17 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.41 1rw5 h HIS 180 CO 0.00 1.21 0.08 0.87 -0.00 0.00 0.00 177.93 180.10 1rw5 h LYS 181 N 0.51 0.18 -0.94 5.26 1.57 -0.32 0.76 116.57 123.60 1rw5 h LYS 181 Ca -0.03 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1rw5 h LYS 181 Cb 1.31 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.53 1rw5 h LYS 181 CO 0.14 0.12 0.61 0.82 -0.57 0.00 0.00 179.45 180.57 1rw5 h ILE 182 N 0.19 1.17 -0.62 1.86 2.04 -1.31 -0.81 117.51 120.03 1rw5 h ILE 182 Ca 0.08 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 1rw5 h ILE 182 Cb 0.04 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 35.97 1rw5 h ILE 182 CO -0.07 0.22 0.04 -0.78 0.00 0.00 0.00 178.15 177.55 1rw5 h ASP 183 N 1.19 1.03 -0.66 1.72 3.58 -0.66 -2.98 116.42 119.64 1rw5 h ASP 183 Ca 0.37 -0.27 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1rw5 h ASP 183 Cb -0.01 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 40.73 1rw5 h ASP 183 CO -0.12 1.06 0.36 0.78 -2.88 0.00 0.00 179.24 178.44 1rw5 h ASN 184 N 0.98 0.82 -0.63 2.28 -0.26 0.19 -2.84 115.58 116.11 1rw5 h ASN 184 Ca 0.18 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 1rw5 h ASN 184 Cb 0.51 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 1rw5 h ASN 184 CO 0.02 0.68 0.36 1.88 -1.06 0.00 0.00 177.43 179.31 1rw5 h TYR 185 N 0.90 0.85 -0.73 1.19 0.05 -1.14 -2.07 116.97 116.02 1rw5 h TYR 185 Ca 0.23 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 59.03 1rw5 h TYR 185 Cb 0.04 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.46 1rw5 h TYR 185 CO -0.01 0.60 0.48 -0.07 -1.05 0.00 0.00 178.16 178.11 1rw5 h LEU 186 N 0.86 0.76 -0.77 3.88 -0.00 -1.39 -0.04 115.31 118.61 1rw5 h LEU 186 Ca 0.22 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 1rw5 h LEU 186 Cb 0.02 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 40.47 1rw5 h LEU 186 CO -0.04 0.52 0.43 0.11 -0.00 0.00 0.00 178.44 179.47 1rw5 h LYS 187 N 0.88 1.07 -0.20 1.13 1.57 -1.16 -0.52 116.57 119.34 1rw5 h LYS 187 Ca 0.29 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1rw5 h LYS 187 Cb 0.06 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.15 1rw5 h LYS 187 CO -0.08 0.78 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.40 1rw5 h LEU 188 N 1.06 0.44 -1.43 2.94 3.38 -0.93 -3.01 115.31 117.76 1rw5 h LEU 188 Ca 0.27 -0.42 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1rw5 h LEU 188 Cb 0.02 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1rw5 h LEU 188 CO -0.05 0.77 0.42 -0.07 0.09 0.00 0.00 178.44 179.60 1rw5 h LEU 189 N 0.12 0.63 -0.46 1.67 3.38 -0.72 -2.35 115.31 117.58 1rw5 h LEU 189 Ca 0.04 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1rw5 h LEU 189 Cb 0.61 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1rw5 h LEU 189 CO 0.03 0.43 0.20 0.50 0.09 0.00 0.00 178.44 179.69 1rw5 h LYS 190 N 0.73 0.39 0.00 1.13 3.64 -0.96 1.02 116.57 122.52 1rw5 h LYS 190 Ca 0.26 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1rw5 h LYS 190 Cb 0.10 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1rw5 h LYS 190 CO -0.07 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.36 1rw5 n ARG 192 N -3.00 2.62 0.09 0.00 3.00 -0.55 -3.17 116.66 115.65 1rw5 n ARG 192 Ca -0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.85 57.76 1rw5 n ARG 192 Cb 0.13 -1.17 0.04 0.00 0.00 0.00 0.00 32.46 31.46 1rw5 n ARG 192 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1rw5 h ILE 193 N 0.00 1.47 0.00 5.15 2.10 0.11 -3.42 117.51 122.92 1rw5 h ILE 193 Ca -0.16 -2.43 0.00 0.00 1.08 0.00 0.00 64.86 63.35 1rw5 h ILE 193 Cb 1.31 2.32 0.00 0.00 -1.09 0.00 0.00 36.82 39.35 1rw5 h ILE 193 CO 0.01 0.71 -0.32 -0.38 -1.08 0.00 0.00 178.15 177.09 1rw5 n ILE 194 N -3.72 0.00 -2.59 2.19 5.41 -0.97 -4.97 119.36 114.72 1rw5 n ILE 194 Ca -0.03 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.48 1rw5 n ILE 194 Cb 0.74 -0.42 0.13 0.00 -0.71 0.00 0.00 39.64 39.37 1rw5 n ILE 194 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 1rw5 s HIS 195 N -1.59 1.24 0.00 1.39 3.76 -0.80 -5.04 115.29 114.25 1rw5 s HIS 195 Ca 0.00 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 1rw5 s HIS 195 Cb 0.00 -3.04 0.00 0.00 1.11 0.00 0.00 32.58 30.65 1rw5 s HIS 195 CO 0.00 -1.91 0.00 0.09 -0.85 0.00 0.00 174.74 172.07 1rw5 n ASN 196 N -2.95 0.00 -4.21 1.40 3.02 -1.19 -3.84 115.26 107.49 1rw5 n ASN 196 Ca 0.17 0.02 -0.35 0.00 -0.03 0.00 0.00 54.58 54.39 1rw5 n ASN 196 Cb 0.61 -0.44 -0.14 0.00 -0.61 0.00 0.00 39.78 39.19 1rw5 n ASN 196 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1rw5 s ASN 197 N -3.63 4.36 -0.03 6.41 2.47 -1.26 -4.53 114.94 118.73 1rw5 s ASN 197 Ca 0.00 -0.84 0.01 0.00 0.42 0.00 0.00 52.86 52.45 1rw5 s ASN 197 Cb 0.00 -1.68 0.03 0.00 -1.45 0.00 0.00 41.25 38.15 1rw5 s ASN 197 CO 0.00 -0.13 0.67 -3.20 -3.72 0.00 0.00 177.10 170.72 1rw5 n ASN 198 N 4.69 -0.63 0.00 -4.21 2.85 -1.26 -5.04 115.26 111.65 1rw5 n ASN 198 Ca -0.16 -1.26 0.00 0.00 -0.11 0.00 0.00 54.58 53.04 1rw5 n ASN 198 Cb 0.47 0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.70 1rw5 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15