#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r50 s ASN 4 N 0.00 4.99 0.52 0.41 0.01 -1.26 -4.96 114.94 114.66 1r50 s ASN 4 Ca 0.00 1.85 -0.22 0.00 -0.71 0.00 0.00 52.86 53.79 1r50 s ASN 4 Cb 0.00 -2.53 -0.06 0.00 0.41 0.00 0.00 41.25 39.08 1r50 s ASN 4 CO 0.00 -1.70 1.27 -2.84 -1.51 0.00 0.00 177.10 172.32 1r50 s PRO 5 N -4.54 3.34 -0.17 -0.60 0.02 -1.26 -4.69 135.00 127.10 1r50 s PRO 5 Ca 0.63 2.02 -0.04 0.00 0.02 0.00 0.00 61.00 63.63 1r50 s PRO 5 Cb -0.18 -2.27 -0.03 0.00 0.02 0.00 0.00 34.50 32.04 1r50 s PRO 5 CO 0.48 -0.96 -0.02 0.08 -0.33 0.00 0.00 177.00 176.25 1r50 s VAL 6 N -1.42 3.99 -0.22 3.83 1.01 -0.08 -1.15 120.40 126.35 1r50 s VAL 6 Ca 0.69 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 1r50 s VAL 6 Cb -0.35 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1r50 s VAL 6 CO 0.41 0.48 -0.03 -0.69 0.00 0.00 0.00 175.10 175.27 1r50 s VAL 7 N 0.46 3.45 -0.17 2.92 1.01 -0.08 0.07 120.40 128.07 1r50 s VAL 7 Ca -0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.38 1r50 s VAL 7 Cb -0.14 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1r50 s VAL 7 CO 0.02 0.41 0.18 -0.04 0.00 0.00 0.00 175.10 175.68 1r50 s MET 8 N 1.49 4.03 -0.24 2.72 -1.94 0.62 -1.96 119.30 124.02 1r50 s MET 8 Ca 0.06 -0.10 0.02 0.00 -1.71 0.00 0.00 55.69 53.95 1r50 s MET 8 Cb -0.14 -3.36 0.05 0.00 2.01 0.00 0.00 34.83 33.38 1r50 s MET 8 CO -0.03 0.41 -0.13 0.08 -0.01 0.00 0.00 175.02 175.34 1r50 s VAL 9 N 0.01 2.20 0.86 -6.03 1.01 0.25 -1.95 120.40 116.75 1r50 s VAL 9 Ca 0.12 -1.41 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 1r50 s VAL 9 Cb -0.12 -2.19 0.11 0.00 0.00 0.00 0.00 36.38 34.19 1r50 s VAL 9 CO 0.01 0.13 1.19 -1.38 0.00 0.00 0.00 175.10 175.06 1r50 s HIS 10 N 1.17 2.64 0.00 5.22 -3.43 -1.26 -1.17 115.29 118.45 1r50 s HIS 10 Ca -0.05 0.70 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 1r50 s HIS 10 Cb -0.18 -3.57 0.00 0.00 -1.43 0.00 0.00 32.58 27.40 1r50 s HIS 10 CO -0.07 -2.04 0.00 0.41 -2.00 0.00 0.00 174.74 171.04 1r50 n GLY 11 N -3.16 1.83 3.67 -1.38 0.00 -1.16 -3.29 105.19 101.71 1r50 n GLY 11 Ca 0.09 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1r50 n GLY 11 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1r50 n ILE 12 N -0.85 0.59 -0.94 -0.61 5.41 -1.26 -0.83 119.36 120.86 1r50 n ILE 12 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1r50 n ILE 12 Cb 0.00 -2.19 0.00 0.00 -0.71 0.00 0.00 39.64 36.74 1r50 n ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r50 n GLY 13 N 4.40 0.65 0.00 7.39 0.00 -1.26 -5.00 105.19 111.37 1r50 n GLY 13 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1r50 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r50 n GLY 14 N -2.10 -0.61 3.53 -0.02 0.00 -0.01 -5.13 105.19 100.85 1r50 n GLY 14 Ca 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 1r50 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r50 s ALA 15 N -3.69 -1.53 0.52 4.61 0.00 -1.26 -4.88 121.76 115.53 1r50 s ALA 15 Ca 0.00 0.33 0.20 0.00 0.00 0.00 0.00 51.96 52.49 1r50 s ALA 15 Cb 0.00 0.85 1.32 0.00 0.00 0.00 0.00 23.12 25.29 1r50 s ALA 15 CO 0.00 -0.83 2.07 0.66 0.00 0.00 0.00 175.76 177.66 1r50 h SER 16 N 2.00 0.01 0.16 0.00 4.64 -1.89 -0.67 113.55 117.80 1r50 h SER 16 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1r50 h SER 16 Cb 1.29 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1r50 h SER 16 CO 0.34 0.01 0.00 -0.26 -0.87 0.00 0.00 176.83 176.05 1r50 h PHE 17 N 0.01 0.00 0.00 4.77 0.04 -1.95 -2.26 116.94 117.55 1r50 h PHE 17 Ca 0.13 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1r50 h PHE 17 Cb 0.50 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 1r50 h PHE 17 CO -0.00 0.00 -0.00 -0.91 -0.60 0.00 0.00 178.31 176.80 1r50 h ASN 18 N 0.00 0.00 -0.49 2.17 2.35 -1.53 -2.32 115.58 115.76 1r50 h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1r50 h ASN 18 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1r50 h ASN 18 CO 0.00 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.27 1r50 n PHE 19 N -3.79 0.87 -0.24 1.19 3.72 -0.85 -4.49 117.46 113.87 1r50 n PHE 19 Ca -0.03 -0.38 0.02 0.00 -0.05 0.00 0.00 57.45 57.01 1r50 n PHE 19 Cb 0.08 -0.09 0.14 0.00 -0.94 0.00 0.00 39.48 38.67 1r50 n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r50 h ALA 20 N 3.82 0.98 -0.34 4.37 0.00 -1.61 0.75 119.26 127.22 1r50 h ALA 20 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1r50 h ALA 20 Cb 0.89 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1r50 h ALA 20 CO 0.08 -0.09 -0.03 0.78 0.00 0.00 0.00 179.25 179.99 1r50 h GLY 21 N 0.56 0.68 1.29 0.00 0.00 -1.80 -1.70 103.07 102.09 1r50 h GLY 21 Ca 0.36 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 1r50 h GLY 21 CO -0.29 0.48 -0.11 -2.22 0.00 0.00 0.00 176.54 174.40 1r50 h ILE 22 N 0.43 1.26 -0.24 2.60 2.04 -1.60 -1.38 117.51 120.62 1r50 h ILE 22 Ca 0.09 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1r50 h ILE 22 Cb 0.51 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1r50 h ILE 22 CO 0.02 0.41 0.09 0.11 0.00 0.00 0.00 178.15 178.78 1r50 h LYS 23 N 0.76 0.36 -0.91 2.37 1.57 -0.78 -1.16 116.57 118.78 1r50 h LYS 23 Ca 0.13 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1r50 h LYS 23 Cb 0.61 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1r50 h LYS 23 CO 0.04 0.42 0.60 0.77 -0.57 0.00 0.00 179.45 180.72 1r50 h SER 24 N 0.23 1.03 0.07 0.86 0.02 -1.11 -0.94 113.55 113.71 1r50 h SER 24 Ca 0.08 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1r50 h SER 24 Cb 0.20 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1r50 h SER 24 CO -0.00 0.74 -0.04 0.22 -1.14 0.00 0.00 176.83 176.61 1r50 h TYR 25 N 1.21 -0.09 -0.72 3.45 3.20 -0.97 -2.02 116.97 121.04 1r50 h TYR 25 Ca 0.34 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 1r50 h TYR 25 Cb -0.11 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 1r50 h TYR 25 CO -0.00 0.14 0.42 -0.07 -1.64 0.00 0.00 178.16 177.00 1r50 h LEU 26 N -0.31 0.86 -0.50 2.82 3.38 -0.91 -1.31 115.31 119.34 1r50 h LEU 26 Ca -0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1r50 h LEU 26 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1r50 h LEU 26 CO 0.02 0.68 0.21 0.58 0.09 0.00 0.00 178.44 180.01 1r50 h VAL 27 N 0.99 1.21 0.00 1.22 2.07 -1.09 -0.24 116.25 120.41 1r50 h VAL 27 Ca 0.26 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1r50 h VAL 27 Cb -0.02 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1r50 h VAL 27 CO -0.05 0.25 -0.09 0.28 0.02 0.00 0.00 177.57 177.98 1r50 h SER 28 N 0.67 0.00 -0.27 0.57 0.02 -0.72 -2.22 113.55 111.61 1r50 h SER 28 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1r50 h SER 28 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1r50 h SER 28 CO -0.01 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1r50 n GLN 29 N -3.63 2.01 0.00 3.45 1.13 -0.55 -4.94 117.38 114.85 1r50 n GLN 29 Ca -0.02 -1.53 0.00 0.00 -1.94 0.00 0.00 57.00 53.51 1r50 n GLN 29 Cb 0.20 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1r50 n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1r50 n GLY 30 N 1.26 2.39 3.77 1.08 0.00 -0.83 -5.05 105.19 107.81 1r50 n GLY 30 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1r50 n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1r50 s TRP 31 N -2.16 2.78 -0.04 1.61 0.51 -0.20 -4.95 118.94 116.48 1r50 s TRP 31 Ca 0.00 1.31 -0.30 0.00 -2.12 0.00 0.00 56.10 55.00 1r50 s TRP 31 Cb 0.00 -3.82 -0.03 0.00 -0.81 0.00 0.00 33.47 28.81 1r50 s TRP 31 CO 0.00 -2.40 1.06 -1.12 -0.51 0.00 0.00 176.95 173.97 1r50 s SER 32 N -0.42 7.23 0.40 2.95 0.01 -1.26 -4.19 113.70 118.42 1r50 s SER 32 Ca 0.53 1.69 0.15 0.00 1.31 0.00 0.00 55.95 59.62 1r50 s SER 32 Cb -0.42 -2.56 1.00 0.00 0.21 0.00 0.00 66.02 64.24 1r50 s SER 32 CO 0.56 -0.41 1.87 -0.09 0.41 0.00 0.00 173.24 175.58 1r50 h ARG 33 N 7.02 0.48 0.00 12.44 9.65 -1.94 0.13 114.38 142.16 1r50 h ARG 33 Ca -0.36 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1r50 h ARG 33 Cb 1.18 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1r50 h ARG 33 CO 0.82 0.32 0.00 -0.40 2.80 0.00 0.00 179.97 183.51 1r50 n ASP 34 N -4.53 0.00 -0.65 -3.80 5.75 -1.26 -2.63 116.55 109.42 1r50 n ASP 34 Ca 0.18 -0.02 0.07 0.00 -0.01 0.00 0.00 54.79 55.01 1r50 n ASP 34 Cb 0.61 -0.29 0.19 0.00 -1.03 0.00 0.00 41.12 40.60 1r50 n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1r50 n LYS 35 N -1.29 2.79 -3.96 0.11 5.02 0.45 -4.91 118.16 116.38 1r50 n LYS 35 Ca 0.10 -2.39 -0.35 0.00 -2.02 0.00 0.00 58.31 53.66 1r50 n LYS 35 Cb 0.18 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 33.53 1r50 n LYS 35 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1r50 s LEU 36 N -1.93 2.88 0.21 -0.35 1.43 -1.08 -0.91 118.68 118.94 1r50 s LEU 36 Ca 0.30 -0.60 0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1r50 s LEU 36 Cb 0.22 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.72 1r50 s LEU 36 CO 0.11 -0.06 -0.19 -0.31 0.23 0.00 0.00 176.35 176.13 1r50 s TYR 37 N 1.40 2.02 -0.06 0.29 1.51 0.11 -4.97 117.35 117.65 1r50 s TYR 37 Ca 0.04 -0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 55.65 1r50 s TYR 37 Cb -0.15 -0.96 0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1r50 s TYR 37 CO -0.05 0.47 0.12 0.00 -1.11 0.00 0.00 175.55 174.98 1r50 s ALA 38 N -2.26 -0.08 0.59 3.71 0.00 -1.26 -0.27 121.76 122.18 1r50 s ALA 38 Ca 0.22 0.49 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 1r50 s ALA 38 Cb -0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1r50 s ALA 38 CO 0.10 -0.37 1.01 0.54 0.00 0.00 0.00 175.76 177.03 1r50 s VAL 39 N 1.79 4.69 -0.17 0.00 0.11 -0.82 -4.85 120.40 121.14 1r50 s VAL 39 Ca -0.02 0.90 -0.00 0.00 -2.93 0.00 0.00 61.98 59.93 1r50 s VAL 39 Cb -0.12 -3.84 0.04 0.00 -1.53 0.00 0.00 36.38 30.93 1r50 s VAL 39 CO -0.05 -1.04 -0.07 -1.81 -3.33 0.00 0.00 175.10 168.80 1r50 s ASP 40 N -3.96 2.93 0.01 3.54 1.01 -1.26 -3.90 116.67 115.03 1r50 s ASP 40 Ca 0.55 -0.69 -0.14 0.00 0.71 0.00 0.00 52.55 52.98 1r50 s ASP 40 Cb -0.11 -1.01 -0.06 0.00 1.01 0.00 0.00 42.92 42.76 1r50 s ASP 40 CO 0.49 -0.16 0.42 -0.36 0.21 0.00 0.00 175.17 175.77 1r50 s PHE 41 N 1.57 3.72 -0.30 4.23 0.08 -1.26 -4.99 117.98 121.03 1r50 s PHE 41 Ca 0.01 0.99 0.22 0.00 0.12 0.00 0.00 56.93 58.27 1r50 s PHE 41 Cb -0.15 -2.29 -0.21 0.00 -0.57 0.00 0.00 43.02 39.80 1r50 s PHE 41 CO -0.08 0.63 0.71 -2.67 -0.10 0.00 0.00 175.22 173.71 1r50 n TRP 42 N 1.71 0.17 -2.28 0.36 4.27 -1.26 -4.85 117.44 115.57 1r50 n TRP 42 Ca -0.13 0.05 -0.42 0.00 -3.89 0.00 0.00 57.50 53.11 1r50 n TRP 42 Cb 0.52 -0.48 -0.03 0.00 -1.36 0.00 0.00 31.31 29.97 1r50 n TRP 42 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1r50 s ASP 43 N -4.31 6.08 0.00 -0.67 -1.08 -1.26 -4.85 116.67 110.57 1r50 s ASP 43 Ca -0.03 0.64 0.17 0.00 -0.52 0.00 0.00 52.55 52.81 1r50 s ASP 43 Cb 0.14 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.99 1r50 s ASP 43 CO 0.87 -1.68 1.45 0.29 0.52 0.00 0.00 175.17 176.62 1r50 n LYS 44 N 8.47 0.39 0.00 4.34 4.76 -1.26 -1.91 118.16 132.94 1r50 n LYS 44 Ca 0.16 0.06 0.08 0.00 -2.87 0.00 0.00 58.31 55.74 1r50 n LYS 44 Cb 0.49 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.11 1r50 n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1r50 n THR 45 N -1.14 0.00 -1.87 -0.18 -2.24 -1.26 -4.27 114.28 103.32 1r50 n THR 45 Ca 0.10 -0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.54 1r50 n THR 45 Cb 0.09 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 1r50 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r50 n GLY 46 N 1.31 0.70 3.75 3.38 0.00 -0.80 -4.96 105.19 108.57 1r50 n GLY 46 Ca 0.04 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1r50 n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r50 s THR 47 N -2.70 2.15 0.23 2.61 -4.23 -1.26 -4.83 115.64 107.61 1r50 s THR 47 Ca 0.00 0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1r50 s THR 47 Cb 0.00 -3.06 0.14 0.00 1.34 0.00 0.00 72.50 70.92 1r50 s THR 47 CO 0.00 -0.00 1.77 0.78 -0.54 0.00 0.00 174.62 176.63 1r50 h ASN 48 N 1.55 0.98 -0.87 3.99 2.35 -1.95 -0.74 115.58 120.89 1r50 h ASN 48 Ca -0.51 -0.18 0.17 0.00 -0.55 0.00 0.00 56.30 55.22 1r50 h ASN 48 Cb 1.29 -0.26 -0.10 0.00 0.05 0.00 0.00 38.32 39.31 1r50 h ASN 48 CO 0.58 0.92 0.45 0.22 -1.65 0.00 0.00 177.43 177.95 1r50 h TYR 49 N 1.00 0.77 0.06 1.19 3.20 -2.00 0.16 116.97 121.35 1r50 h TYR 49 Ca 0.22 0.04 -0.34 0.00 3.14 0.00 0.00 58.73 61.78 1r50 h TYR 49 Cb 0.31 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 1r50 h TYR 49 CO 0.02 0.14 -1.93 0.09 -1.64 0.00 0.00 178.16 174.85 1r50 n ASN 50 N -4.89 2.02 0.12 -2.11 3.02 -1.11 -4.44 115.26 107.86 1r50 n ASN 50 Ca 0.19 0.23 -0.03 0.00 -0.03 0.00 0.00 54.58 54.94 1r50 n ASN 50 Cb 0.49 -0.82 0.16 0.00 -0.61 0.00 0.00 39.78 39.00 1r50 n ASN 50 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1r50 h ASN 51 N -0.31 0.10 0.21 6.41 4.21 -1.08 -3.19 115.58 121.94 1r50 h ASN 51 Ca -0.45 -0.06 0.01 0.00 1.21 0.00 0.00 56.30 57.01 1r50 h ASN 51 Cb 1.79 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 38.93 1r50 h ASN 51 CO -0.06 0.68 -0.29 1.23 -1.29 0.00 0.00 177.43 177.70 1r50 h GLY 52 N 1.68 -0.61 0.91 2.83 0.00 -0.88 -0.05 103.07 106.95 1r50 h GLY 52 Ca -0.01 0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.69 1r50 h GLY 52 CO 0.08 -0.25 0.59 -2.55 0.00 0.00 0.00 176.54 174.42 1r50 h PRO 53 N -0.56 1.12 -0.58 4.80 0.11 -1.77 0.45 132.00 135.58 1r50 h PRO 53 Ca 0.01 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 1r50 h PRO 53 Cb 0.55 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 1r50 h PRO 53 CO -0.11 0.74 0.36 0.28 -0.21 0.00 0.00 178.00 179.06 1r50 h VAL 54 N 1.16 1.17 -0.56 3.15 2.07 -1.48 -0.68 116.25 121.07 1r50 h VAL 54 Ca 0.35 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1r50 h VAL 54 Cb -0.03 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1r50 h VAL 54 CO -0.11 0.17 0.08 0.25 0.02 0.00 0.00 177.57 177.98 1r50 h LEU 55 N 0.78 0.90 -0.18 2.57 5.85 -0.40 -1.17 115.31 123.65 1r50 h LEU 55 Ca 0.21 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1r50 h LEU 55 Cb -0.04 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 1r50 h LEU 55 CO -0.04 0.94 0.08 -1.28 -0.34 0.00 0.00 178.44 177.80 1r50 h SER 56 N 0.82 0.12 -0.39 1.25 0.87 -0.48 0.27 113.55 116.02 1r50 h SER 56 Ca 0.17 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 1r50 h SER 56 Cb 0.43 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 1r50 h SER 56 CO 0.01 0.09 -0.06 0.03 -0.53 0.00 0.00 176.83 176.37 1r50 h ARG 57 N 0.18 0.81 -0.21 2.24 3.08 -1.04 -1.60 114.38 117.83 1r50 h ARG 57 Ca 0.07 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1r50 h ARG 57 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1r50 h ARG 57 CO -0.06 0.86 0.09 0.35 -1.07 0.00 0.00 179.97 180.14 1r50 h PHE 58 N 0.74 0.32 -0.60 3.04 3.57 -0.80 -1.12 116.94 122.09 1r50 h PHE 58 Ca 0.13 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1r50 h PHE 58 Cb 0.54 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.16 1r50 h PHE 58 CO 0.03 0.35 0.28 0.28 -2.23 0.00 0.00 178.31 177.03 1r50 h VAL 59 N 0.19 1.22 -0.93 1.41 2.07 -0.81 -0.90 116.25 118.49 1r50 h VAL 59 Ca 0.07 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1r50 h VAL 59 Cb 0.17 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1r50 h VAL 59 CO -0.01 0.25 0.54 -0.61 0.02 0.00 0.00 177.57 177.76 1r50 h GLN 60 N 0.83 1.28 -0.37 1.57 5.75 -1.13 0.27 115.11 123.30 1r50 h GLN 60 Ca 0.21 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1r50 h GLN 60 Cb 0.13 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 1r50 h GLN 60 CO -0.02 0.91 0.21 -0.22 -2.65 0.00 0.00 178.83 177.06 1r50 h LYS 61 N 1.29 0.51 -0.65 1.69 3.64 -0.67 0.19 116.57 122.57 1r50 h LYS 61 Ca 0.33 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1r50 h LYS 61 Cb -0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1r50 h LYS 61 CO -0.06 0.40 0.43 0.28 -2.27 0.00 0.00 179.45 178.23 1r50 h VAL 62 N 0.48 1.17 -0.70 2.00 2.07 -0.46 -0.86 116.25 119.94 1r50 h VAL 62 Ca 0.13 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1r50 h VAL 62 Cb 0.03 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1r50 h VAL 62 CO -0.02 0.16 0.23 -0.07 0.02 0.00 0.00 177.57 177.89 1r50 h LEU 63 N 0.88 1.01 -0.55 2.57 3.38 -0.60 -1.02 115.31 120.98 1r50 h LEU 63 Ca 0.24 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1r50 h LEU 63 Cb -0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 1r50 h LEU 63 CO -0.05 0.94 0.11 0.44 0.09 0.00 0.00 178.44 179.97 1r50 h ASP 64 N 1.02 0.85 -0.19 -0.43 3.32 -0.50 0.13 116.42 120.62 1r50 h ASP 64 Ca 0.23 -0.25 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1r50 h ASP 64 Cb 0.28 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1r50 h ASP 64 CO -0.01 0.88 -0.54 -0.33 -1.72 0.00 0.00 179.24 177.52 1r50 h GLU 65 N 0.79 0.70 0.00 3.56 5.08 -1.00 -3.32 114.58 120.40 1r50 h GLU 65 Ca 0.17 -0.50 -0.16 0.00 -1.00 0.00 0.00 59.36 57.87 1r50 h GLU 65 Cb 0.37 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1r50 h GLU 65 CO 0.01 1.12 -0.98 1.79 -1.00 0.00 0.00 179.01 179.94 1r50 h THR 66 N 0.40 0.87 0.00 1.13 1.35 -1.21 -3.48 112.91 111.97 1r50 h THR 66 Ca -0.01 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 1r50 h THR 66 Cb 1.16 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1r50 h THR 66 CO 0.12 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.49 1r50 n GLY 67 N 1.33 0.71 3.78 5.82 0.00 0.45 -5.02 105.19 112.26 1r50 n GLY 67 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1r50 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r50 s ALA 68 N -2.71 2.39 -0.06 4.61 0.00 -1.21 -4.99 121.76 119.78 1r50 s ALA 68 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 1r50 s ALA 68 Cb 0.00 -3.25 -0.28 0.00 0.00 0.00 0.00 23.12 19.58 1r50 s ALA 68 CO 0.00 -1.57 0.60 -0.22 0.00 0.00 0.00 175.76 174.56 1r50 h LYS 69 N -0.89 0.31 -4.05 0.00 3.64 -1.95 -3.45 116.57 110.17 1r50 h LYS 69 Ca -0.44 -0.53 -0.12 0.00 -1.27 0.00 0.00 60.65 58.30 1r50 h LYS 69 Cb 1.23 0.20 -0.14 0.00 -0.41 0.00 0.00 32.23 33.10 1r50 h LYS 69 CO 0.53 1.21 -0.47 0.15 -2.27 0.00 0.00 179.45 178.60 1r50 s LYS 70 N -2.58 0.92 0.34 1.90 1.02 -1.26 -4.75 119.74 115.34 1r50 s LYS 70 Ca -0.16 -1.18 0.09 0.00 0.02 0.00 0.00 55.97 54.74 1r50 s LYS 70 Cb 0.06 0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 37.62 1r50 s LYS 70 CO 0.82 -0.29 -0.05 0.14 -0.92 0.00 0.00 175.35 175.06 1r50 s VAL 71 N -3.95 2.41 0.13 3.17 -7.23 -0.16 -4.26 120.40 110.51 1r50 s VAL 71 Ca 0.13 -2.11 0.05 0.00 -1.81 0.00 0.00 61.98 58.25 1r50 s VAL 71 Cb 0.05 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1r50 s VAL 71 CO -0.04 -0.20 0.03 -1.81 -0.31 0.00 0.00 175.10 172.76 1r50 s ASP 72 N -3.65 5.08 -0.02 4.85 1.01 -0.30 -0.84 116.67 122.80 1r50 s ASP 72 Ca 0.33 -0.22 0.04 0.00 0.71 0.00 0.00 52.55 53.42 1r50 s ASP 72 Cb 0.01 -1.21 -0.01 0.00 1.01 0.00 0.00 42.92 42.72 1r50 s ASP 72 CO 0.18 0.13 -0.14 -0.63 0.21 0.00 0.00 175.17 174.92 1r50 s ILE 73 N -1.51 1.15 -0.19 0.77 1.01 0.16 -0.90 121.20 121.67 1r50 s ILE 73 Ca 0.27 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1r50 s ILE 73 Cb -0.11 -0.97 0.03 0.00 0.01 0.00 0.00 42.46 41.43 1r50 s ILE 73 CO 0.20 0.33 -0.14 -0.69 0.00 0.00 0.00 174.94 174.64 1r50 s VAL 74 N -0.22 1.81 0.07 2.92 1.01 -0.83 -0.43 120.40 124.74 1r50 s VAL 74 Ca 0.03 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1r50 s VAL 74 Cb -0.07 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1r50 s VAL 74 CO -0.00 0.30 -0.23 0.00 0.00 0.00 0.00 175.10 175.17 1r50 s ALA 75 N 1.35 2.00 -0.03 5.51 0.00 0.16 -0.58 121.76 130.17 1r50 s ALA 75 Ca 0.01 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1r50 s ALA 75 Cb -0.15 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1r50 s ALA 75 CO -0.10 0.44 -0.23 -1.58 0.00 0.00 0.00 175.76 174.30 1r50 s HIS 76 N -0.94 2.07 0.00 0.00 5.65 -0.32 0.57 115.29 122.31 1r50 s HIS 76 Ca 0.09 -0.45 0.00 0.00 0.25 0.00 0.00 55.06 54.96 1r50 s HIS 76 Cb -0.10 -1.34 0.00 0.00 -1.18 0.00 0.00 32.58 29.96 1r50 s HIS 76 CO 0.03 -0.08 0.00 0.45 -0.65 0.00 0.00 174.74 174.50 1r50 n SER 77 N 2.65 0.00 0.25 9.88 2.88 -0.84 -0.62 113.62 127.81 1r50 n SER 77 Ca -0.16 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.55 1r50 n SER 77 Cb 0.52 0.00 0.86 0.00 -0.75 0.00 0.00 64.21 64.85 1r50 n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1r50 h MET 78 N 0.00 0.00 -0.14 -1.46 1.85 -1.84 -1.49 114.93 111.84 1r50 h MET 78 Ca 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.13 1r50 h MET 78 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1r50 h MET 78 CO 0.00 0.00 0.11 0.78 -0.40 0.00 0.00 176.91 177.40 1r50 h GLY 79 N 0.37 0.00 0.91 1.39 0.00 -0.85 -0.48 103.07 104.41 1r50 h GLY 79 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1r50 h GLY 79 CO 0.00 0.00 -0.14 -1.33 0.00 0.00 0.00 176.54 175.07 1r50 h GLY 80 N 0.00 0.67 0.98 4.60 0.00 -1.45 -0.33 103.07 107.55 1r50 h GLY 80 Ca 0.07 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1r50 h GLY 80 CO -0.00 0.54 0.20 0.00 0.00 0.00 0.00 176.54 177.28 1r50 h ALA 81 N 0.76 0.70 -0.83 3.60 0.00 -1.42 -1.37 119.26 120.69 1r50 h ALA 81 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1r50 h ALA 81 Cb 0.65 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1r50 h ALA 81 CO 0.04 0.33 0.42 -0.91 0.00 0.00 0.00 179.25 179.13 1r50 h ASN 82 N 0.73 1.07 -0.35 0.00 2.35 -1.01 -1.28 115.58 117.09 1r50 h ASN 82 Ca 0.18 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1r50 h ASN 82 Cb 0.23 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1r50 h ASN 82 CO -0.01 0.89 0.14 0.74 -1.65 0.00 0.00 177.43 177.55 1r50 h THR 83 N 1.18 1.19 -0.39 2.81 2.02 -0.74 -1.31 112.91 117.67 1r50 h THR 83 Ca 0.29 -0.56 -0.06 0.00 0.77 0.00 0.00 66.41 66.85 1r50 h THR 83 Cb 0.09 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1r50 h THR 83 CO -0.04 0.20 0.00 -0.07 0.37 0.00 0.00 175.52 175.98 1r50 h LEU 84 N 0.43 0.58 -0.40 2.58 3.38 -1.00 -1.95 115.31 118.92 1r50 h LEU 84 Ca 0.12 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1r50 h LEU 84 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1r50 h LEU 84 CO -0.01 0.65 0.03 0.22 0.09 0.00 0.00 178.44 179.42 1r50 h TYR 85 N 0.58 0.74 -0.81 1.13 3.20 -0.95 0.25 116.97 121.12 1r50 h TYR 85 Ca 0.12 -0.12 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1r50 h TYR 85 Cb 0.37 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 1r50 h TYR 85 CO 0.01 0.74 0.48 -0.92 -1.64 0.00 0.00 178.16 176.84 1r50 h TYR 86 N 0.53 0.88 -0.12 -3.82 3.20 -0.81 0.28 116.97 117.11 1r50 h TYR 86 Ca 0.12 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.82 1r50 h TYR 86 Cb 0.42 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.42 1r50 h TYR 86 CO 0.03 0.42 -0.68 0.82 -1.64 0.00 0.00 178.16 177.11 1r50 h ILE 87 N 0.86 1.32 0.04 1.81 2.04 -1.02 -1.49 117.51 121.07 1r50 h ILE 87 Ca 0.36 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.28 1r50 h ILE 87 Cb 0.22 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1r50 h ILE 87 CO -0.19 0.60 -0.02 0.50 0.00 0.00 0.00 178.15 179.04 1r50 h LYS 88 N 0.34 -0.06 0.00 2.37 3.64 -0.16 -3.24 116.57 119.46 1r50 h LYS 88 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1r50 h LYS 88 Cb 1.33 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1r50 h LYS 88 CO 0.14 0.57 -1.77 0.09 -2.27 0.00 0.00 179.45 176.21 1r50 n ASN 89 N -4.75 0.19 0.00 4.20 4.13 0.96 -5.00 115.26 115.00 1r50 n ASN 89 Ca -0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.19 1r50 n ASN 89 Cb 0.32 1.68 0.00 0.00 -1.54 0.00 0.00 39.78 40.23 1r50 n ASN 89 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1r50 n LEU 90 N -2.29 0.00 -1.58 3.41 4.77 -1.01 -5.03 117.00 115.27 1r50 n LEU 90 Ca -0.03 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.03 1r50 n LEU 90 Cb 0.55 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 42.00 1r50 n LEU 90 CO 0.45 0.00 0.82 -0.90 -1.33 0.00 0.00 177.39 176.43 1r50 n ASP 91 N 0.00 5.08 0.03 -1.43 5.75 -1.20 -4.55 116.55 120.24 1r50 n ASP 91 Ca 0.00 -2.84 0.13 0.00 -0.01 0.00 0.00 54.79 52.07 1r50 n ASP 91 Cb 0.00 -0.62 0.54 0.00 -1.03 0.00 0.00 41.12 40.01 1r50 n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r50 n GLY 92 N 0.46 -1.53 0.48 6.12 0.00 -0.59 -4.15 105.19 105.97 1r50 n GLY 92 Ca 0.26 -0.07 0.29 0.00 0.00 0.00 0.00 46.02 46.50 1r50 n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r50 h GLY 93 N 4.67 0.00 -0.15 -0.02 0.00 -1.75 -2.07 103.07 103.74 1r50 h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r50 h GLY 93 CO 0.00 0.00 -0.08 1.16 0.00 0.00 0.00 176.54 177.62 1r50 n ASN 94 N -4.09 1.76 -0.03 0.19 6.94 -1.26 -0.57 115.26 118.20 1r50 n ASN 94 Ca 0.19 -2.53 0.00 0.00 -0.02 0.00 0.00 54.58 52.23 1r50 n ASN 94 Cb 1.03 -0.27 0.01 0.00 -2.36 0.00 0.00 39.78 38.19 1r50 n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1r50 n LYS 95 N -0.91 0.09 -5.13 -3.83 5.02 -0.79 -4.86 118.16 107.75 1r50 n LYS 95 Ca 0.09 -0.80 -0.29 0.00 -2.02 0.00 0.00 58.31 55.29 1r50 n LYS 95 Cb 0.55 -1.02 -0.16 0.00 -0.02 0.00 0.00 35.03 34.38 1r50 n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r50 s VAL 96 N -0.30 1.83 -0.05 -0.18 1.01 -1.19 -0.99 120.40 120.52 1r50 s VAL 96 Ca 0.01 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1r50 s VAL 96 Cb 0.01 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1r50 s VAL 96 CO 0.01 0.51 -0.14 0.00 0.00 0.00 0.00 175.10 175.48 1r50 n ALA 97 N 2.81 1.28 -2.76 5.51 0.00 -0.02 -4.71 120.51 122.62 1r50 n ALA 97 Ca -0.17 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.55 1r50 n ALA 97 Cb 0.52 0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.89 1r50 n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r50 s ASN 98 N -5.25 3.89 -0.08 0.00 0.01 -1.26 -1.79 114.94 110.47 1r50 s ASN 98 Ca -0.12 -0.29 0.04 0.00 -0.71 0.00 0.00 52.86 51.78 1r50 s ASN 98 Cb 0.02 -1.16 0.00 0.00 0.41 0.00 0.00 41.25 40.51 1r50 s ASN 98 CO 0.17 0.26 -0.20 -0.69 -1.51 0.00 0.00 177.10 175.13 1r50 s VAL 99 N -0.21 1.72 -0.12 1.60 1.01 0.24 -0.67 120.40 123.97 1r50 s VAL 99 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1r50 s VAL 99 Cb -0.13 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.77 1r50 s VAL 99 CO 0.03 0.49 -0.10 -0.69 0.00 0.00 0.00 175.10 174.82 1r50 s VAL 100 N 0.33 1.21 0.06 2.92 1.01 0.43 -1.13 120.40 125.23 1r50 s VAL 100 Ca -0.14 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1r50 s VAL 100 Cb -0.16 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1r50 s VAL 100 CO 0.06 0.40 -0.04 0.42 0.00 0.00 0.00 175.10 175.94 1r50 s THR 101 N 1.51 3.80 -0.25 3.92 -4.23 -0.28 -0.66 115.64 119.44 1r50 s THR 101 Ca 0.03 -0.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1r50 s THR 101 Cb -0.13 -2.75 0.06 0.00 1.34 0.00 0.00 72.50 71.02 1r50 s THR 101 CO -0.07 0.22 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.38 1r50 s LEU 102 N -1.95 3.19 -1.49 4.79 1.43 0.19 -1.05 118.68 123.79 1r50 s LEU 102 Ca 0.22 -1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 51.85 1r50 s LEU 102 Cb -0.11 -1.43 0.07 0.00 0.03 0.00 0.00 46.19 44.75 1r50 s LEU 102 CO 0.13 -0.21 0.88 0.61 0.23 0.00 0.00 176.35 178.00 1r50 n GLY 103 N 4.50 -0.50 3.76 -3.19 0.00 0.13 -1.98 105.19 107.91 1r50 n GLY 103 Ca -0.13 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1r50 n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r50 s GLY 104 N -3.14 2.88 -0.61 -0.02 0.00 -1.26 -3.14 107.32 102.03 1r50 s GLY 104 Ca 0.59 1.11 -0.04 0.00 0.00 0.00 0.00 44.72 46.38 1r50 s GLY 104 CO 0.73 1.83 2.77 0.00 0.00 0.00 0.00 173.10 178.43 1r50 n ALA 105 N 1.40 6.54 -0.24 3.20 0.00 -0.71 -2.92 120.51 127.79 1r50 n ALA 105 Ca 0.01 -3.16 0.01 0.00 0.00 0.00 0.00 53.44 50.30 1r50 n ALA 105 Cb 0.43 -2.31 0.13 0.00 0.00 0.00 0.00 19.45 17.71 1r50 n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1r50 h ASN 106 N 3.35 0.43 0.27 0.00 2.35 -1.58 -2.51 115.58 117.89 1r50 h ASN 106 Ca 0.45 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.26 1r50 h ASN 106 Cb 0.70 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1r50 h ASN 106 CO 0.96 0.24 0.00 0.54 -1.65 0.00 0.00 177.43 177.52 1r50 n ARG 107 N -4.88 0.08 0.14 0.81 1.74 -0.02 -1.38 116.66 113.14 1r50 n ARG 107 Ca 0.11 0.25 0.12 0.00 -0.77 0.00 0.00 57.85 57.56 1r50 n ARG 107 Cb 0.28 -1.50 0.50 0.00 -1.02 0.00 0.00 32.46 30.72 1r50 n ARG 107 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1r50 h LEU 108 N 0.00 0.00 0.00 0.55 3.38 -1.72 -3.29 115.31 114.23 1r50 h LEU 108 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1r50 h LEU 108 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1r50 h LEU 108 CO 0.00 0.00 -1.40 0.41 0.09 0.00 0.00 178.44 177.54 1r50 n THR 109 N -2.30 0.81 -3.48 0.22 -1.04 -0.48 -5.10 114.28 102.92 1r50 n THR 109 Ca 0.02 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.05 61.83 1r50 n THR 109 Cb 0.24 -1.72 -0.04 0.00 -1.82 0.00 0.00 70.33 66.99 1r50 n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1r50 s THR 110 N -2.26 0.00 -2.54 12.58 -1.32 -0.90 -5.01 115.64 116.20 1r50 s THR 110 Ca -0.16 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.54 1r50 s THR 110 Cb 0.05 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.36 1r50 s THR 110 CO 0.21 0.00 1.31 0.61 -2.21 0.00 0.00 174.62 174.53 1r50 n GLY 111 N 0.18 1.37 3.63 6.08 0.00 -1.26 -3.27 105.19 111.92 1r50 n GLY 111 Ca -0.16 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.86 1r50 n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r50 s LYS 112 N -1.61 2.46 -1.01 1.61 1.02 -1.26 0.24 119.74 121.18 1r50 s LYS 112 Ca 0.33 -0.83 -0.23 0.00 0.02 0.00 0.00 55.97 55.26 1r50 s LYS 112 Cb 0.21 -2.48 0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1r50 s LYS 112 CO 0.29 0.56 1.43 0.00 -0.92 0.00 0.00 175.35 176.72 1r50 s ALA 113 N -1.17 2.74 0.02 5.17 0.00 -0.49 -4.78 121.76 123.26 1r50 s ALA 113 Ca 0.21 -2.28 -0.33 0.00 0.00 0.00 0.00 51.96 49.57 1r50 s ALA 113 Cb -0.11 -4.51 -0.11 0.00 0.00 0.00 0.00 23.12 18.39 1r50 s ALA 113 CO 0.13 -3.59 1.85 1.28 0.00 0.00 0.00 175.76 175.43 1r50 n LEU 114 N 8.78 3.68 0.23 0.00 4.77 -1.26 -4.88 117.00 128.32 1r50 n LEU 114 Ca 0.32 0.98 0.10 0.00 -0.03 0.00 0.00 56.01 57.38 1r50 n LEU 114 Cb 0.51 -1.45 0.56 0.00 -2.33 0.00 0.00 43.42 40.71 1r50 n LEU 114 CO 0.65 0.02 0.86 1.55 -1.33 0.00 0.00 177.39 179.14 1r50 h PRO 115 N 8.89 0.00 0.00 3.23 0.13 -1.93 -3.40 132.00 138.92 1r50 h PRO 115 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1r50 h PRO 115 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1r50 h PRO 115 CO 0.94 0.20 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 1r50 n GLY 116 N -0.27 -1.83 0.55 1.56 0.00 -1.26 -0.98 105.19 102.96 1r50 n GLY 116 Ca -0.01 -1.91 0.05 0.00 0.00 0.00 0.00 46.02 44.15 1r50 n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r50 n THR 117 N -0.01 1.15 -3.53 2.61 -2.24 0.27 -4.89 114.28 107.64 1r50 n THR 117 Ca 0.00 -1.12 -0.41 0.00 -2.27 0.00 0.00 64.05 60.25 1r50 n THR 117 Cb 0.00 0.41 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 1r50 n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r50 s ASP 118 N -1.14 5.75 0.62 3.42 2.15 -1.26 -4.91 116.67 121.32 1r50 s ASP 118 Ca 0.22 -1.95 0.33 0.00 0.43 0.00 0.00 52.55 51.58 1r50 s ASP 118 Cb 0.13 -2.03 1.87 0.00 -0.30 0.00 0.00 42.92 42.59 1r50 s ASP 118 CO 0.12 -0.70 2.17 1.55 -0.17 0.00 0.00 175.17 178.15 1r50 h PRO 119 N 8.43 0.00 0.00 4.34 0.13 -1.95 -0.09 132.00 142.87 1r50 h PRO 119 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1r50 h PRO 119 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1r50 h PRO 119 CO 0.87 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.73 1r50 h ASN 120 N 0.00 0.00 -1.11 1.44 2.35 -2.01 -3.42 115.58 112.83 1r50 h ASN 120 Ca 0.04 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1r50 h ASN 120 Cb 0.30 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.45 1r50 h ASN 120 CO -0.00 0.00 -0.37 -1.58 -1.65 0.00 0.00 177.43 173.83 1r50 s GLN 121 N -3.42 0.54 0.32 0.81 0.74 -0.05 -5.15 119.66 113.45 1r50 s GLN 121 Ca 0.04 0.62 -0.28 0.00 0.05 0.00 0.00 55.36 55.79 1r50 s GLN 121 Cb 0.08 0.24 -0.09 0.00 1.10 0.00 0.00 33.01 34.33 1r50 s GLN 121 CO 0.56 -0.93 1.11 0.15 -0.55 0.00 0.00 175.29 175.64 1r50 s LYS 122 N 2.79 4.47 0.23 1.67 1.02 -1.25 -4.56 119.74 124.11 1r50 s LYS 122 Ca 0.13 1.78 -0.30 0.00 0.02 0.00 0.00 55.97 57.59 1r50 s LYS 122 Cb -0.12 -3.00 -0.10 0.00 -0.52 0.00 0.00 37.83 34.09 1r50 s LYS 122 CO -0.25 0.06 1.48 0.42 -0.92 0.00 0.00 175.35 176.14 1r50 s ILE 123 N -1.28 2.64 -0.11 2.17 1.01 -0.15 -5.00 121.20 120.48 1r50 s ILE 123 Ca 0.49 0.51 -0.05 0.00 0.00 0.00 0.00 60.65 61.60 1r50 s ILE 123 Cb -0.30 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1r50 s ILE 123 CO 0.39 0.07 0.09 -0.76 0.00 0.00 0.00 174.94 174.73 1r50 s LEU 124 N 0.03 4.10 0.04 2.97 1.43 -0.74 -4.63 118.68 121.88 1r50 s LEU 124 Ca 0.62 0.35 0.07 0.00 -1.03 0.00 0.00 54.13 54.14 1r50 s LEU 124 Cb -0.42 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1r50 s LEU 124 CO 0.40 0.39 -0.21 -0.31 0.23 0.00 0.00 176.35 176.86 1r50 s TYR 125 N -0.93 1.81 -0.15 0.29 1.51 -0.42 -0.59 117.35 118.87 1r50 s TYR 125 Ca 0.14 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1r50 s TYR 125 Cb -0.12 -1.08 0.05 0.00 -0.11 0.00 0.00 41.96 40.70 1r50 s TYR 125 CO 0.03 0.08 0.03 0.99 -1.11 0.00 0.00 175.55 175.57 1r50 s THR 126 N -0.78 0.42 -0.32 -0.71 2.01 -0.28 -1.47 115.64 114.51 1r50 s THR 126 Ca 0.07 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 61.71 1r50 s THR 126 Cb -0.09 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.61 1r50 s THR 126 CO 0.02 -0.05 0.11 -0.55 -0.69 0.00 0.00 174.62 173.46 1r50 s SER 127 N 1.92 5.32 -0.18 3.53 0.15 -0.11 -1.13 113.70 123.20 1r50 s SER 127 Ca 0.01 -0.79 -0.08 0.00 0.70 0.00 0.00 55.95 55.80 1r50 s SER 127 Cb -0.15 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.20 1r50 s SER 127 CO -0.07 -0.24 0.07 -0.63 1.20 0.00 0.00 173.24 173.56 1r50 s ILE 128 N 1.51 4.83 0.01 6.45 1.01 -0.21 -0.42 121.20 134.39 1r50 s ILE 128 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1r50 s ILE 128 Cb -0.18 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.13 1r50 s ILE 128 CO 0.04 0.46 0.25 -0.72 0.00 0.00 0.00 174.94 174.97 1r50 s TYR 129 N 0.34 -0.07 -0.06 3.97 -0.85 -0.68 -0.69 117.35 119.31 1r50 s TYR 129 Ca 0.03 0.00 0.03 0.00 -0.52 0.00 0.00 57.07 56.62 1r50 s TYR 129 Cb -0.12 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.23 1r50 s TYR 129 CO -0.00 -0.40 -0.14 0.45 -1.52 0.00 0.00 175.55 173.94 1r50 s SER 130 N -1.65 4.06 0.19 -0.18 0.15 -1.26 -0.59 113.70 114.42 1r50 s SER 130 Ca -0.10 -0.21 0.19 0.00 0.70 0.00 0.00 55.95 56.53 1r50 s SER 130 Cb -0.04 -0.99 0.86 0.00 -1.71 0.00 0.00 66.02 64.14 1r50 s SER 130 CO 0.00 0.32 1.59 -1.54 1.20 0.00 0.00 173.24 174.81 1r50 n SER 131 N 2.50 0.45 -0.92 5.45 3.41 -0.38 -1.62 113.62 122.51 1r50 n SER 131 Ca -0.17 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 1r50 n SER 131 Cb 0.52 -0.72 0.26 0.00 -0.26 0.00 0.00 64.21 64.02 1r50 n SER 131 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r50 n ALA 132 N -1.69 2.46 -2.20 7.33 0.00 -1.26 -4.89 120.51 120.26 1r50 n ALA 132 Ca 0.02 -0.79 -0.43 0.00 0.00 0.00 0.00 53.44 52.24 1r50 n ALA 132 Cb 0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 1r50 n ALA 132 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r50 s ASP 133 N -1.58 6.69 -0.07 0.00 -1.08 -0.64 -4.50 116.67 115.48 1r50 s ASP 133 Ca 0.35 1.83 0.18 0.00 -0.52 0.00 0.00 52.55 54.39 1r50 s ASP 133 Cb 0.21 -2.53 0.63 0.00 -1.46 0.00 0.00 42.92 39.77 1r50 s ASP 133 CO 0.30 -0.97 1.54 0.23 0.52 0.00 0.00 175.17 176.79 1r50 n MET 134 N 7.11 3.30 -0.04 4.34 2.81 -1.26 -4.49 117.12 128.88 1r50 n MET 134 Ca 0.16 -2.72 -0.10 0.00 -1.81 0.00 0.00 57.70 53.24 1r50 n MET 134 Cb 0.44 -1.72 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 1r50 n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1r50 n ILE 135 N 1.09 0.58 -3.97 2.02 2.08 -1.26 -4.99 119.36 114.90 1r50 n ILE 135 Ca 0.23 -0.10 -0.34 0.00 0.56 0.00 0.00 62.75 63.10 1r50 n ILE 135 Cb 0.76 -1.65 -0.14 0.00 -0.75 0.00 0.00 39.64 37.86 1r50 n ILE 135 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1r50 s VAL 136 N -2.18 2.82 0.40 1.39 1.01 -1.26 -5.10 120.40 117.48 1r50 s VAL 136 Ca -0.13 -0.97 -0.27 0.00 0.00 0.00 0.00 61.98 60.61 1r50 s VAL 136 Cb 0.05 -2.40 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 1r50 s VAL 136 CO 0.17 0.25 1.41 -0.04 0.00 0.00 0.00 175.10 176.89 1r50 s MET 137 N 1.33 4.00 0.40 2.72 -1.94 -1.26 -4.84 119.30 119.71 1r50 s MET 137 Ca 0.01 2.40 0.11 0.00 -1.71 0.00 0.00 55.69 56.51 1r50 s MET 137 Cb -0.16 -2.86 0.92 0.00 2.01 0.00 0.00 34.83 34.74 1r50 s MET 137 CO -0.05 -0.56 1.94 -0.91 -0.01 0.00 0.00 175.02 175.43 1r50 h ASN 138 N 2.81 0.51 -1.00 3.03 2.35 -1.91 -1.53 115.58 119.84 1r50 h ASN 138 Ca -0.50 0.02 0.09 0.00 -0.55 0.00 0.00 56.30 55.35 1r50 h ASN 138 Cb 1.25 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 39.45 1r50 h ASN 138 CO 0.63 0.29 0.64 0.22 -1.65 0.00 0.00 177.43 177.57 1r50 h TYR 139 N 0.56 1.17 0.00 1.19 3.20 -1.95 -0.53 116.97 120.60 1r50 h TYR 139 Ca 0.34 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 1r50 h TYR 139 Cb 0.57 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 1r50 h TYR 139 CO -0.00 0.56 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.90 1r50 h LEU 140 N 1.10 0.00 0.01 2.82 3.38 -1.59 -2.96 115.31 118.08 1r50 h LEU 140 Ca 0.45 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.16 1r50 h LEU 140 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1r50 h LEU 140 CO -0.20 0.11 -1.39 0.28 0.09 0.00 0.00 178.44 177.32 1r50 h SER 141 N 0.00 0.04 -2.90 -0.43 0.02 -0.99 0.22 113.55 109.52 1r50 h SER 141 Ca -0.00 -0.06 -0.53 0.00 -0.84 0.00 0.00 61.79 60.36 1r50 h SER 141 Cb 0.40 -0.01 0.04 0.00 0.14 0.00 0.00 62.40 62.97 1r50 h SER 141 CO 0.01 1.05 0.83 -0.13 -1.14 0.00 0.00 176.83 177.46 1r50 s ARG 142 N -2.65 4.25 -0.10 3.45 0.52 -0.85 -4.77 118.95 118.80 1r50 s ARG 142 Ca -0.03 2.27 0.03 0.00 -0.52 0.00 0.00 55.73 57.48 1r50 s ARG 142 Cb 0.09 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 1r50 s ARG 142 CO 0.83 -0.55 -0.20 -0.51 0.02 0.00 0.00 175.30 174.89 1r50 s LEU 143 N 1.07 2.35 0.03 2.53 1.43 -1.26 -4.79 118.68 120.04 1r50 s LEU 143 Ca 0.68 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1r50 s LEU 143 Cb -0.42 -1.49 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 1r50 s LEU 143 CO 0.31 0.19 1.76 -1.81 0.23 0.00 0.00 176.35 177.03 1r50 s ASP 144 N 0.18 6.56 0.00 2.29 1.01 0.14 -2.06 116.67 124.79 1r50 s ASP 144 Ca -0.11 2.48 0.00 0.00 0.71 0.00 0.00 52.55 55.63 1r50 s ASP 144 Cb -0.16 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1r50 s ASP 144 CO 0.06 -0.96 0.00 0.61 0.21 0.00 0.00 175.17 175.10 1r50 n GLY 145 N 4.21 1.25 3.95 0.21 0.00 -1.26 -1.39 105.19 112.16 1r50 n GLY 145 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1r50 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r50 s ALA 146 N -2.47 3.47 -0.65 4.61 0.00 -0.88 -0.90 121.76 124.94 1r50 s ALA 146 Ca 0.00 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 50.62 1r50 s ALA 146 Cb 0.00 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.81 1r50 s ALA 146 CO 0.00 -1.09 0.98 0.50 0.00 0.00 0.00 175.76 176.16 1r50 s ARG 147 N -5.05 3.14 -0.25 0.00 3.52 -0.54 -4.90 118.95 114.87 1r50 s ARG 147 Ca 0.59 -0.73 -0.18 0.00 -0.13 0.00 0.00 55.73 55.28 1r50 s ARG 147 Cb -0.10 -4.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.05 1r50 s ARG 147 CO 0.42 -1.81 0.52 -0.80 -0.81 0.00 0.00 175.30 172.83 1r50 s ASN 148 N 3.60 6.47 -0.24 -2.12 0.01 -1.26 -0.93 114.94 120.47 1r50 s ASN 148 Ca 0.24 0.57 0.01 0.00 -0.71 0.00 0.00 52.86 52.97 1r50 s ASN 148 Cb -0.16 -2.29 0.04 0.00 0.41 0.00 0.00 41.25 39.26 1r50 s ASN 148 CO 0.11 -0.27 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.63 1r50 s VAL 149 N 2.16 2.35 -0.17 1.60 1.01 0.44 -4.97 120.40 122.83 1r50 s VAL 149 Ca 0.22 -1.29 -0.14 0.00 0.00 0.00 0.00 61.98 60.78 1r50 s VAL 149 Cb -0.16 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1r50 s VAL 149 CO 0.09 0.18 0.28 -1.58 0.00 0.00 0.00 175.10 174.07 1r50 s GLN 150 N 1.21 4.25 0.46 2.72 0.74 -1.26 -1.68 119.66 126.10 1r50 s GLN 150 Ca -0.03 0.07 0.04 0.00 0.05 0.00 0.00 55.36 55.49 1r50 s GLN 150 Cb -0.17 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1r50 s GLN 150 CO -0.07 0.23 0.01 0.96 -0.55 0.00 0.00 175.29 175.88 1r50 s ILE 151 N 0.49 1.47 0.18 -2.34 -4.36 0.24 -4.97 121.20 111.91 1r50 s ILE 151 Ca 0.16 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.57 1r50 s ILE 151 Cb -0.13 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.00 1r50 s ILE 151 CO 0.03 0.00 -0.01 -1.00 0.24 0.00 0.00 174.94 174.20 1r50 s HIS 152 N -2.85 1.26 0.00 1.37 3.76 -1.26 -1.25 115.29 116.32 1r50 s HIS 152 Ca 0.20 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 1r50 s HIS 152 Cb 0.05 -0.71 0.00 0.00 1.11 0.00 0.00 32.58 33.03 1r50 s HIS 152 CO 0.10 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.25 1r50 n GLY 153 N -0.26 2.02 3.78 -2.22 0.00 -1.26 -4.93 105.19 102.32 1r50 n GLY 153 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1r50 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r50 s VAL 154 N -2.22 5.34 0.81 1.61 1.01 -1.26 -4.95 120.40 120.74 1r50 s VAL 154 Ca 0.00 0.43 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 1r50 s VAL 154 Cb 0.00 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.91 1r50 s VAL 154 CO 0.00 0.49 1.18 -0.83 0.00 0.00 0.00 175.10 175.94 1r50 s GLY 155 N -0.18 1.60 0.12 4.51 0.00 -1.26 -3.63 107.32 108.48 1r50 s GLY 155 Ca 0.15 -0.68 -0.21 0.00 0.00 0.00 0.00 44.72 43.99 1r50 s GLY 155 CO 0.04 -0.18 1.70 0.84 0.00 0.00 0.00 173.10 175.50 1r50 h HIS 156 N -1.06 -0.15 -0.13 1.90 2.76 -1.93 -1.73 115.15 114.82 1r50 h HIS 156 Ca -0.46 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 57.59 1r50 h HIS 156 Cb 1.33 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 1r50 h HIS 156 CO 0.27 -0.10 -0.49 0.82 -1.30 0.00 0.00 177.93 177.13 1r50 h ILE 157 N -0.05 1.33 -0.02 6.26 2.04 -1.99 -2.84 117.51 122.25 1r50 h ILE 157 Ca 0.08 -1.71 0.01 0.00 1.00 0.00 0.00 64.86 64.23 1r50 h ILE 157 Cb 0.16 1.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1r50 h ILE 157 CO -0.17 0.52 0.07 1.23 0.00 0.00 0.00 178.15 179.80 1r50 h GLY 158 N 1.24 0.00 2.00 5.37 0.00 -1.71 -0.92 103.07 109.05 1r50 h GLY 158 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1r50 h GLY 158 CO 0.08 0.00 -0.00 1.41 0.00 0.00 0.00 176.54 178.03 1r50 h LEU 159 N 0.00 0.00 0.00 3.11 3.38 -1.09 -1.26 115.31 119.45 1r50 h LEU 159 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1r50 h LEU 159 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1r50 h LEU 159 CO -0.00 0.00 -0.51 0.18 0.09 0.00 0.00 178.44 178.20 1r50 n LEU 160 N -3.12 0.57 -2.74 1.67 4.77 -0.35 -4.28 117.00 113.52 1r50 n LEU 160 Ca -0.02 0.18 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 1r50 n LEU 160 Cb 0.13 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1r50 n LEU 160 CO 0.22 0.01 -0.09 -1.22 -1.33 0.00 0.00 177.39 174.98 1r50 n TYR 161 N -1.85 1.39 -4.64 -1.77 4.01 -0.49 -4.11 117.16 109.70 1r50 n TYR 161 Ca 0.04 -3.05 -0.28 0.00 -0.16 0.00 0.00 57.90 54.45 1r50 n TYR 161 Cb 0.39 -0.35 -0.17 0.00 -0.31 0.00 0.00 39.34 38.91 1r50 n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1r50 s SER 162 N -3.07 2.42 0.30 7.72 0.15 -1.12 -4.99 113.70 115.12 1r50 s SER 162 Ca 0.33 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.56 1r50 s SER 162 Cb 0.43 -1.10 0.47 0.00 -1.71 0.00 0.00 66.02 64.11 1r50 s SER 162 CO -0.02 0.05 1.82 0.28 1.20 0.00 0.00 173.24 176.57 1r50 h SER 163 N 7.17 0.63 -0.09 5.45 0.02 -1.96 0.95 113.55 125.72 1r50 h SER 163 Ca -0.29 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1r50 h SER 163 Cb 1.19 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1r50 h SER 163 CO 0.48 0.69 0.04 -0.61 -1.14 0.00 0.00 176.83 176.30 1r50 h GLN 164 N 0.64 0.13 -0.62 3.45 4.15 -1.99 -2.24 115.11 118.62 1r50 h GLN 164 Ca 0.13 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 1r50 h GLN 164 Cb 0.37 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1r50 h GLN 164 CO 0.01 0.21 0.19 0.28 -1.93 0.00 0.00 178.83 177.60 1r50 h VAL 165 N 0.02 1.25 -0.53 2.39 2.07 -1.81 -2.78 116.25 116.86 1r50 h VAL 165 Ca 0.03 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.78 1r50 h VAL 165 Cb 0.13 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1r50 h VAL 165 CO -0.00 0.32 0.18 0.78 0.02 0.00 0.00 177.57 178.87 1r50 h ASN 166 N 0.90 0.16 -0.83 0.57 2.35 -0.60 0.10 115.58 118.23 1r50 h ASN 166 Ca 0.20 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1r50 h ASN 166 Cb 0.29 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 1r50 h ASN 166 CO -0.01 0.11 0.48 0.28 -1.65 0.00 0.00 177.43 176.64 1r50 h SER 167 N 0.35 1.03 -0.07 5.81 0.02 -1.24 -1.06 113.55 118.39 1r50 h SER 167 Ca 0.26 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 61.01 1r50 h SER 167 Cb 0.31 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1r50 h SER 167 CO -0.28 0.81 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.77 1r50 h LEU 168 N 1.16 0.61 -0.49 5.07 3.38 -1.00 -1.86 115.31 122.18 1r50 h LEU 168 Ca 0.30 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1r50 h LEU 168 Cb -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1r50 h LEU 168 CO -0.05 0.93 0.08 0.40 0.09 0.00 0.00 178.44 179.89 1r50 h ILE 169 N 0.48 1.25 -0.36 1.22 2.04 -0.30 -1.31 117.51 120.54 1r50 h ILE 169 Ca 0.05 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1r50 h ILE 169 Cb 0.88 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1r50 h ILE 169 CO 0.08 0.33 0.21 0.50 0.00 0.00 0.00 178.15 179.27 1r50 h LYS 170 N 0.69 0.42 -0.86 2.37 3.64 -1.00 0.51 116.57 122.34 1r50 h LYS 170 Ca 0.15 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1r50 h LYS 170 Cb 0.40 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1r50 h LYS 170 CO 0.01 0.28 0.53 0.93 -2.27 0.00 0.00 179.45 178.93 1r50 h GLU 171 N 0.43 0.95 -0.33 1.90 5.08 -1.11 -1.06 114.58 120.44 1r50 h GLU 171 Ca 0.14 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1r50 h GLU 171 Cb -0.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1r50 h GLU 171 CO -0.06 0.63 -0.04 0.78 -1.00 0.00 0.00 179.01 179.32 1r50 h GLY 172 N 0.98 0.66 2.00 -3.84 0.00 -0.46 0.30 103.07 102.70 1r50 h GLY 172 Ca 0.37 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1r50 h GLY 172 CO -0.17 0.47 0.00 1.41 0.00 0.00 0.00 176.54 178.25 1r50 h LEU 173 N 0.40 0.00 -1.73 3.11 3.38 -0.50 -1.77 115.31 118.20 1r50 h LEU 173 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1r50 h LEU 173 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1r50 h LEU 173 CO 0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.14 1r50 n ASN 174 N -2.43 2.52 0.00 -0.43 3.02 -0.44 -4.88 115.26 112.62 1r50 n ASN 174 Ca 0.02 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 1r50 n ASN 174 Cb 0.25 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1r50 n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r50 n GLY 175 N 1.20 0.68 0.01 7.41 0.00 -0.67 -4.97 105.19 108.86 1r50 n GLY 175 Ca 0.15 -0.57 0.15 0.00 0.00 0.00 0.00 46.02 45.76 1r50 n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r50 n GLY 176 N -2.51 -1.18 3.66 -0.02 0.00 0.10 -4.87 105.19 100.37 1r50 n GLY 176 Ca 0.00 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1r50 n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r50 s GLY 177 N -2.41 1.63 0.16 -0.02 0.00 -1.26 -4.84 107.32 100.57 1r50 s GLY 177 Ca 0.34 -1.02 -0.06 0.00 0.00 0.00 0.00 44.72 43.98 1r50 s GLY 177 CO 0.44 -0.15 0.21 1.20 0.00 0.00 0.00 173.10 174.80 1r50 s GLN 178 N -5.52 1.11 -0.37 2.90 -0.21 -0.60 -4.70 119.66 112.27 1r50 s GLN 178 Ca 0.72 -1.29 0.07 0.00 0.02 0.00 0.00 55.36 54.87 1r50 s GLN 178 Cb -0.08 0.33 0.18 0.00 1.00 0.00 0.00 33.01 34.44 1r50 s GLN 178 CO 0.55 -0.38 0.58 1.21 -2.12 0.00 0.00 175.29 175.13 1r50 s ASN 179 N -3.01 -1.12 -0.46 5.90 3.84 -1.13 -1.30 114.94 117.66 1r50 s ASN 179 Ca 0.21 -0.63 0.03 0.00 0.21 0.00 0.00 52.86 52.68 1r50 s ASN 179 Cb 0.05 1.76 0.62 0.00 -0.55 0.00 0.00 41.25 43.13 1r50 s ASN 179 CO 0.02 -0.22 1.91 0.35 -2.79 0.00 0.00 177.10 176.36 1r50 n THR 180 N 4.69 3.18 1.33 -5.21 -2.24 -0.07 -5.02 114.28 110.94 1r50 n THR 180 Ca 0.09 -1.97 0.13 0.00 -2.27 0.00 0.00 64.05 60.03 1r50 n THR 180 Cb 0.54 -0.57 0.38 0.00 -2.10 0.00 0.00 70.33 68.58 1r50 n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09