#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pr5 s THR 2 N 0.00 3.20 0.53 0.00 -4.23 0.65 -4.94 115.64 110.86 1pr5 s THR 2 Ca 0.00 -1.02 0.35 0.00 -1.18 0.00 0.00 61.69 59.83 1pr5 s THR 2 Cb 0.00 -3.08 0.53 0.00 1.34 0.00 0.00 72.50 71.29 1pr5 s THR 2 CO 0.00 -0.03 1.82 -0.65 -0.54 0.00 0.00 174.62 175.22 1pr5 h PRO 3 N 0.72 0.02 0.00 3.99 0.11 -2.00 -2.36 132.00 132.48 1pr5 h PRO 3 Ca -0.41 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1pr5 h PRO 3 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1pr5 h PRO 3 CO 0.47 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 179.00 1pr5 n HIS 4 N -4.22 0.00 -3.77 0.65 8.25 -1.26 -4.97 115.22 109.90 1pr5 n HIS 4 Ca 0.24 -0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.39 1pr5 n HIS 4 Cb 1.16 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 32.11 1pr5 n HIS 4 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1pr5 s ILE 5 N -0.07 0.64 -0.98 1.59 1.01 -0.89 -4.62 121.20 117.89 1pr5 s ILE 5 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1pr5 s ILE 5 Cb 0.00 -1.07 0.14 0.00 0.01 0.00 0.00 42.46 41.54 1pr5 s ILE 5 CO 0.00 -0.13 1.18 0.21 0.00 0.00 0.00 174.94 176.20 1pr5 s ASN 6 N 1.81 6.70 0.32 3.58 2.47 -1.26 -0.25 114.94 128.31 1pr5 s ASN 6 Ca -0.01 -2.20 -0.13 0.00 0.42 0.00 0.00 52.86 50.94 1pr5 s ASN 6 Cb -0.17 -2.40 0.02 0.00 -1.45 0.00 0.00 41.25 37.25 1pr5 s ASN 6 CO -0.07 -1.01 0.62 0.00 -3.72 0.00 0.00 177.10 172.92 1pr5 s ALA 7 N 2.50 -0.40 0.30 1.71 0.00 -1.26 -4.59 121.76 120.02 1pr5 s ALA 7 Ca 0.34 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1pr5 s ALA 7 Cb -0.04 0.92 -0.06 0.00 0.00 0.00 0.00 23.12 23.94 1pr5 s ALA 7 CO -0.08 -0.92 -0.05 -1.21 0.00 0.00 0.00 175.76 173.49 1pr5 s GLU 8 N -3.29 1.62 0.07 0.00 0.41 -1.26 0.28 118.70 116.53 1pr5 s GLU 8 Ca 0.19 -1.84 -0.32 0.00 -0.41 0.00 0.00 54.97 52.60 1pr5 s GLU 8 Cb -0.03 -1.25 -0.11 0.00 -1.78 0.00 0.00 34.13 30.95 1pr5 s GLU 8 CO 0.12 0.04 1.82 -0.12 -0.49 0.00 0.00 175.26 176.62 1pr5 n MET 9 N -0.64 2.54 0.00 1.61 0.00 -1.26 -1.76 117.12 117.60 1pr5 n MET 9 Ca -0.05 0.93 0.00 0.00 -0.00 0.00 0.00 57.70 58.57 1pr5 n MET 9 Cb 0.64 -2.79 0.00 0.00 0.00 0.00 0.00 33.22 31.06 1pr5 n MET 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1pr5 n GLY 10 N 4.16 1.42 0.26 -5.12 0.00 -1.26 -4.92 105.19 99.74 1pr5 n GLY 10 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1pr5 n GLY 10 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pr5 h ASP 11 N 1.20 0.00 -2.99 1.61 3.32 -1.72 -3.42 116.42 114.42 1pr5 h ASP 11 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1pr5 h ASP 11 Cb 0.00 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.46 1pr5 h ASP 11 CO 0.00 0.09 -0.60 -0.36 -1.72 0.00 0.00 179.24 176.65 1pr5 s PHE 12 N -4.59 3.11 0.82 4.55 0.40 -1.26 -4.70 117.98 116.31 1pr5 s PHE 12 Ca -0.04 0.00 -0.11 0.00 -0.60 0.00 0.00 56.93 56.19 1pr5 s PHE 12 Cb 0.15 -1.54 0.12 0.00 0.51 0.00 0.00 43.02 42.26 1pr5 s PHE 12 CO 0.63 0.51 1.16 0.00 0.70 0.00 0.00 175.22 178.22 1pr5 s ALA 13 N -1.55 2.75 -0.77 5.36 0.00 -1.26 -4.95 121.76 121.35 1pr5 s ALA 13 Ca 0.29 -1.00 0.24 0.00 0.00 0.00 0.00 51.96 51.50 1pr5 s ALA 13 Cb -0.11 -2.72 0.92 0.00 0.00 0.00 0.00 23.12 21.21 1pr5 s ALA 13 CO 0.22 -1.80 1.74 -0.40 0.00 0.00 0.00 175.76 175.52 1pr5 n ASP 14 N -3.31 0.46 -3.91 0.00 5.75 -1.26 -4.51 116.55 109.76 1pr5 n ASP 14 Ca 0.11 0.57 -0.24 0.00 -0.01 0.00 0.00 54.79 55.22 1pr5 n ASP 14 Cb 0.60 -0.68 -0.17 0.00 -1.03 0.00 0.00 41.12 39.84 1pr5 n ASP 14 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1pr5 s VAL 15 N -3.12 0.86 -0.05 2.12 1.01 -1.26 -0.13 120.40 119.83 1pr5 s VAL 15 Ca 0.09 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1pr5 s VAL 15 Cb 0.12 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1pr5 s VAL 15 CO 0.47 0.32 -0.05 0.54 0.00 0.00 0.00 175.10 176.38 1pr5 s VAL 16 N 1.32 0.61 0.24 2.92 0.11 -1.08 -2.76 120.40 121.75 1pr5 s VAL 16 Ca -0.03 -0.13 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 1pr5 s VAL 16 Cb -0.14 -0.64 -0.09 0.00 -1.53 0.00 0.00 36.38 33.99 1pr5 s VAL 16 CO -0.03 0.25 0.98 -0.76 -3.33 0.00 0.00 175.10 172.22 1pr5 s LEU 17 N 1.09 4.61 -0.20 2.54 1.43 -0.11 -3.04 118.68 125.00 1pr5 s LEU 17 Ca -0.08 2.01 -0.03 0.00 -1.03 0.00 0.00 54.13 55.00 1pr5 s LEU 17 Cb -0.14 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.53 1pr5 s LEU 17 CO -0.01 0.06 0.04 -0.04 0.23 0.00 0.00 176.35 176.63 1pr5 s MET 18 N -1.10 0.62 0.40 1.70 -1.94 -0.25 -1.53 119.30 117.20 1pr5 s MET 18 Ca 0.43 -0.44 0.01 0.00 -1.71 0.00 0.00 55.69 53.97 1pr5 s MET 18 Cb -0.27 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 1pr5 s MET 18 CO 0.34 -0.67 0.61 -1.25 -0.01 0.00 0.00 175.02 174.04 1pr5 s PRO 19 N 1.86 3.24 0.19 2.03 0.04 -1.24 -0.85 135.00 140.28 1pr5 s PRO 19 Ca -0.00 -0.45 0.08 0.00 0.04 0.00 0.00 61.00 60.66 1pr5 s PRO 19 Cb -0.17 -2.61 0.06 0.00 0.04 0.00 0.00 34.50 31.82 1pr5 s PRO 19 CO -0.09 -0.08 1.44 0.78 0.04 0.00 0.00 177.00 179.08 1pr5 h GLY 20 N 0.57 0.02 -6.58 0.56 0.00 -1.82 -1.20 103.07 94.62 1pr5 h GLY 20 Ca -0.48 -0.04 -0.61 0.00 0.00 0.00 0.00 47.33 46.20 1pr5 h GLY 20 CO 0.59 0.03 0.11 -0.35 0.00 0.00 0.00 176.54 176.92 1pr5 s ASP 21 N -6.79 6.53 0.53 0.19 2.15 -1.26 -1.94 116.67 116.07 1pr5 s ASP 21 Ca -0.00 0.61 0.20 0.00 0.43 0.00 0.00 52.55 53.78 1pr5 s ASP 21 Cb 0.11 -2.32 1.38 0.00 -0.30 0.00 0.00 42.92 41.79 1pr5 s ASP 21 CO 0.79 -0.37 2.16 1.55 -0.17 0.00 0.00 175.17 179.13 1pr5 h PRO 22 N 7.98 0.00 0.00 4.34 0.13 -1.88 -1.71 132.00 140.86 1pr5 h PRO 22 Ca -0.27 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.74 1pr5 h PRO 22 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1pr5 h PRO 22 CO 0.76 0.03 -0.54 -0.07 -0.23 0.00 0.00 178.00 177.95 1pr5 h LEU 23 N 0.00 0.00 -0.55 1.56 3.38 -1.92 -2.01 115.31 115.76 1pr5 h LEU 23 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1pr5 h LEU 23 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1pr5 h LEU 23 CO 0.00 0.54 -0.71 -0.09 0.09 0.00 0.00 178.44 178.28 1pr5 h ARG 24 N 0.00 0.13 -0.23 1.13 2.43 -1.55 -1.83 114.38 114.46 1pr5 h ARG 24 Ca -0.01 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1pr5 h ARG 24 Cb 1.18 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1pr5 h ARG 24 CO 0.07 0.78 0.05 0.00 -1.51 0.00 0.00 179.97 179.36 1pr5 h ALA 25 N 1.19 0.31 -0.61 2.80 0.00 -1.02 0.16 119.26 122.08 1pr5 h ALA 25 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pr5 h ALA 25 Cb 1.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1pr5 h ALA 25 CO 0.10 -0.04 0.38 -0.22 0.00 0.00 0.00 179.25 179.47 1pr5 h LYS 26 N 0.19 0.83 -0.84 0.00 3.64 -1.29 0.69 116.57 119.79 1pr5 h LYS 26 Ca 0.07 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1pr5 h LYS 26 Cb 0.29 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 1pr5 h LYS 26 CO 0.00 0.58 0.55 -0.92 -2.27 0.00 0.00 179.45 177.40 1pr5 h TYR 27 N 0.83 1.04 -0.27 1.91 5.03 -0.98 0.65 116.97 125.18 1pr5 h TYR 27 Ca 0.22 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.53 1pr5 h TYR 27 Cb -0.04 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 37.88 1pr5 h TYR 27 CO -0.02 0.63 0.06 0.82 -1.32 0.00 0.00 178.16 178.33 1pr5 h ILE 28 N 1.11 1.22 -0.93 1.81 2.04 0.13 0.21 117.51 123.08 1pr5 h ILE 28 Ca 0.32 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1pr5 h ILE 28 Cb -0.07 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 1pr5 h ILE 28 CO -0.09 0.23 0.61 0.00 0.00 0.00 0.00 178.15 178.91 1pr5 h ALA 29 N 0.89 1.21 -0.16 1.87 0.00 -0.36 -0.16 119.26 122.56 1pr5 h ALA 29 Ca 0.08 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 1pr5 h ALA 29 Cb 0.29 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1pr5 h ALA 29 CO 0.00 0.53 -0.76 0.93 0.00 0.00 0.00 179.25 179.95 1pr5 h GLU 30 N 1.22 0.76 0.05 0.00 5.08 -0.67 -2.89 114.58 118.13 1pr5 h GLU 30 Ca 0.36 -0.61 -0.29 0.00 -1.00 0.00 0.00 59.36 57.82 1pr5 h GLU 30 Cb -0.07 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1pr5 h GLU 30 CO -0.10 1.22 -1.58 1.15 -1.00 0.00 0.00 179.01 178.70 1pr5 h THR 31 N 0.52 1.04 0.00 1.13 2.02 -0.81 -3.42 112.91 113.40 1pr5 h THR 31 Ca -0.05 -2.80 -0.02 0.00 0.77 0.00 0.00 66.41 64.32 1pr5 h THR 31 Cb 1.38 2.59 -0.00 0.00 -1.74 0.00 0.00 68.15 70.37 1pr5 h THR 31 CO 0.15 0.70 -1.32 0.49 0.37 0.00 0.00 175.52 175.92 1pr5 n PHE 32 N -3.25 0.00 -3.96 3.16 3.01 -0.09 -5.04 117.46 111.28 1pr5 n PHE 32 Ca -0.16 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.02 1pr5 n PHE 32 Cb 1.03 -0.17 -0.04 0.00 -0.01 0.00 0.00 39.48 40.29 1pr5 n PHE 32 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1pr5 s LEU 33 N -3.60 4.22 0.01 4.37 1.43 -1.09 -4.66 118.68 119.36 1pr5 s LEU 33 Ca -0.03 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 1pr5 s LEU 33 Cb 0.04 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1pr5 s LEU 33 CO 0.27 0.11 0.06 -1.61 0.23 0.00 0.00 176.35 175.41 1pr5 s GLU 34 N -2.85 2.96 -1.44 1.70 2.02 0.72 -4.43 118.70 117.37 1pr5 s GLU 34 Ca 0.34 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.70 1pr5 s GLU 34 Cb -0.12 -2.78 0.04 0.00 0.10 0.00 0.00 34.13 31.37 1pr5 s GLU 34 CO 0.27 0.63 0.64 -0.25 0.02 0.00 0.00 175.26 176.57 1pr5 n ASP 35 N 1.18 -5.11 -4.69 -0.19 8.00 -1.26 -1.52 116.55 112.96 1pr5 n ASP 35 Ca -0.13 -0.39 -0.44 0.00 0.71 0.00 0.00 54.79 54.53 1pr5 n ASP 35 Cb 0.53 -4.14 -0.04 0.00 -0.02 0.00 0.00 41.12 37.45 1pr5 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pr5 n ALA 36 N -3.76 1.94 -3.50 2.24 0.00 -1.26 -4.57 120.51 111.60 1pr5 n ALA 36 Ca -0.05 0.40 -0.25 0.00 0.00 0.00 0.00 53.44 53.53 1pr5 n ALA 36 Cb 0.58 -2.46 -0.17 0.00 0.00 0.00 0.00 19.45 17.40 1pr5 n ALA 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1pr5 s ARG 37 N 1.52 1.77 -0.05 0.00 3.52 -0.61 -4.95 118.95 120.16 1pr5 s ARG 37 Ca 0.79 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.67 1pr5 s ARG 37 Cb -0.59 -1.49 -0.03 0.00 -1.56 0.00 0.00 34.95 31.28 1pr5 s ARG 37 CO 0.37 0.00 1.22 -2.00 -0.81 0.00 0.00 175.30 174.08 1pr5 s GLU 38 N 0.76 4.34 0.00 5.12 2.12 -1.26 -0.80 118.70 128.99 1pr5 s GLU 38 Ca -0.13 1.70 0.08 0.00 0.36 0.00 0.00 54.97 56.98 1pr5 s GLU 38 Cb -0.16 -3.56 -0.06 0.00 0.26 0.00 0.00 34.13 30.62 1pr5 s GLU 38 CO 0.03 -0.46 0.41 1.33 -0.54 0.00 0.00 175.26 176.03 1pr5 n VAL 39 N 4.62 0.00 -3.68 3.70 0.24 0.17 -4.96 118.33 118.43 1pr5 n VAL 39 Ca 0.11 -0.34 -0.12 0.00 -2.04 0.00 0.00 64.34 61.94 1pr5 n VAL 39 Cb 0.46 1.03 -0.06 0.00 -1.47 0.00 0.00 33.84 33.80 1pr5 n VAL 39 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1pr5 s ASN 40 N -1.58 -0.25 0.00 -1.34 2.47 -1.16 -4.41 114.94 108.67 1pr5 s ASN 40 Ca 0.04 -0.06 0.00 0.00 0.42 0.00 0.00 52.86 53.26 1pr5 s ASN 40 Cb 0.06 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.28 1pr5 s ASN 40 CO 0.29 -0.67 0.00 -3.20 -3.72 0.00 0.00 177.10 169.80 1pr5 n ASN 41 N 0.45 0.00 -0.31 -4.21 5.15 -1.26 -1.41 115.26 113.67 1pr5 n ASN 41 Ca -0.18 -0.58 -0.01 0.00 -0.60 0.00 0.00 54.58 53.21 1pr5 n ASN 41 Cb 0.60 0.00 0.04 0.00 -0.53 0.00 0.00 39.78 39.89 1pr5 n ASN 41 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pr5 n VAL 42 N 0.00 -0.42 -2.12 3.44 0.31 -1.26 -0.68 118.33 117.60 1pr5 n VAL 42 Ca 0.00 1.88 -0.16 0.00 -0.01 0.00 0.00 64.34 66.05 1pr5 n VAL 42 Cb 0.28 -2.49 0.05 0.00 -0.91 0.00 0.00 33.84 30.77 1pr5 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1pr5 n ARG 43 N -5.19 3.01 -0.74 5.55 1.74 -1.26 -4.88 116.66 114.89 1pr5 n ARG 43 Ca 0.08 -3.92 0.00 0.00 -0.77 0.00 0.00 57.85 53.25 1pr5 n ARG 43 Cb 0.33 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1pr5 n ARG 43 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pr5 n GLY 44 N -0.71 1.44 3.24 -0.13 0.00 0.14 -4.93 105.19 104.24 1pr5 n GLY 44 Ca 0.34 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.96 1pr5 n GLY 44 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pr5 n MET 45 N -2.00 2.46 -1.61 1.61 0.00 -1.26 -4.84 117.12 111.48 1pr5 n MET 45 Ca 0.00 -2.65 -0.53 0.00 0.00 0.00 0.00 57.70 54.53 1pr5 n MET 45 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 33.22 29.79 1pr5 n MET 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1pr5 n LEU 46 N 8.69 1.83 -4.24 -0.89 7.99 -1.26 -4.13 117.00 124.99 1pr5 n LEU 46 Ca 0.49 1.11 -0.31 0.00 -0.01 0.00 0.00 56.01 57.29 1pr5 n LEU 46 Cb 0.43 -1.19 -0.17 0.00 -0.11 0.00 0.00 43.42 42.38 1pr5 n LEU 46 CO 0.84 -0.91 -0.56 -0.83 -1.51 0.00 0.00 177.39 174.42 1pr5 s GLY 47 N 1.03 1.29 0.02 -0.72 0.00 -0.50 -2.94 107.32 105.49 1pr5 s GLY 47 Ca 0.87 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 44.62 1pr5 s GLY 47 CO 0.50 -0.52 -0.11 -1.36 0.00 0.00 0.00 173.10 171.60 1pr5 s PHE 48 N 0.02 0.97 -0.05 1.90 0.08 0.20 0.44 117.98 121.53 1pr5 s PHE 48 Ca -0.09 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.66 1pr5 s PHE 48 Cb -0.15 -0.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.74 1pr5 s PHE 48 CO 0.05 -0.00 -0.00 0.99 -0.10 0.00 0.00 175.22 176.16 1pr5 s THR 49 N -0.69 0.31 0.00 0.64 2.01 0.02 0.33 115.64 118.26 1pr5 s THR 49 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1pr5 s THR 49 Cb -0.06 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1pr5 s THR 49 CO 0.01 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 1pr5 n GLY 50 N 4.72 4.30 2.91 4.40 0.00 0.23 -1.57 105.19 120.18 1pr5 n GLY 50 Ca -0.15 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 1pr5 n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pr5 s THR 51 N 0.32 0.01 -0.27 2.61 -4.23 -0.58 0.19 115.64 113.71 1pr5 s THR 51 Ca 0.00 -0.10 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 1pr5 s THR 51 Cb 0.00 -0.08 0.07 0.00 1.34 0.00 0.00 72.50 73.83 1pr5 s THR 51 CO 0.00 -0.06 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.49 1pr5 s TYR 52 N -0.16 3.04 -1.31 3.99 6.14 0.86 -0.20 117.35 129.70 1pr5 s TYR 52 Ca -0.02 -2.25 -0.02 0.00 0.64 0.00 0.00 57.07 55.42 1pr5 s TYR 52 Cb -0.01 -1.98 0.01 0.00 0.42 0.00 0.00 41.96 40.40 1pr5 s TYR 52 CO -0.00 -0.86 0.82 1.63 0.64 0.00 0.00 175.55 177.78 1pr5 n LYS 53 N 4.49 -5.48 0.00 4.97 5.02 -1.26 -1.91 118.16 123.98 1pr5 n LYS 53 Ca -0.10 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1pr5 n LYS 53 Cb 0.43 -5.39 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 1pr5 n LYS 53 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pr5 n GLY 54 N -1.52 2.13 3.70 0.72 0.00 -1.26 -4.98 105.19 103.97 1pr5 n GLY 54 Ca -0.24 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1pr5 n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1pr5 s ARG 55 N 0.00 4.24 -0.24 1.61 3.00 -0.80 -4.94 118.95 121.81 1pr5 s ARG 55 Ca 0.00 2.23 -0.29 0.00 -1.00 0.00 0.00 55.73 56.67 1pr5 s ARG 55 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 34.95 31.51 1pr5 s ARG 55 CO 0.00 -0.63 1.11 0.21 0.00 0.00 0.00 175.30 175.99 1pr5 s LYS 56 N 2.03 4.19 0.14 5.12 2.20 -1.26 -0.10 119.74 132.06 1pr5 s LYS 56 Ca 0.70 1.35 0.06 0.00 -0.36 0.00 0.00 55.97 57.72 1pr5 s LYS 56 Cb -0.39 -3.70 -0.04 0.00 -1.51 0.00 0.00 37.83 32.19 1pr5 s LYS 56 CO 0.31 -0.74 -0.13 0.42 -0.36 0.00 0.00 175.35 174.85 1pr5 s ILE 57 N 3.45 1.35 0.14 5.43 1.01 0.13 -4.70 121.20 128.00 1pr5 s ILE 57 Ca 0.47 -1.91 0.07 0.00 0.00 0.00 0.00 60.65 59.29 1pr5 s ILE 57 Cb -0.16 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1pr5 s ILE 57 CO 0.11 -0.55 -0.17 -0.44 0.00 0.00 0.00 174.94 173.89 1pr5 s SER 58 N -2.83 2.41 -0.09 3.58 0.01 -1.11 0.74 113.70 116.41 1pr5 s SER 58 Ca 0.14 -0.81 -0.04 0.00 1.31 0.00 0.00 55.95 56.55 1pr5 s SER 58 Cb -0.02 -0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.14 1pr5 s SER 58 CO 0.03 -0.06 0.19 0.54 0.41 0.00 0.00 173.24 174.35 1pr5 s VAL 59 N -1.92 -0.19 -0.03 3.43 0.11 0.15 -0.93 120.40 121.02 1pr5 s VAL 59 Ca 0.12 0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.31 1pr5 s VAL 59 Cb -0.06 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.48 1pr5 s VAL 59 CO 0.05 0.10 0.24 -0.32 -3.33 0.00 0.00 175.10 171.84 1pr5 s MET 60 N 1.80 0.50 0.59 1.54 0.00 -0.58 -0.63 119.30 122.52 1pr5 s MET 60 Ca -0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 55.69 55.41 1pr5 s MET 60 Cb -0.12 0.22 -0.04 0.00 0.00 0.00 0.00 34.83 34.89 1pr5 s MET 60 CO -0.07 -0.12 1.03 0.20 0.00 0.00 0.00 175.02 176.06 1pr5 s GLY 61 N -0.93 1.93 0.00 2.11 0.00 -1.15 -3.59 107.32 105.69 1pr5 s GLY 61 Ca -0.10 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1pr5 s GLY 61 CO 0.02 0.47 0.70 -2.39 0.00 0.00 0.00 173.10 171.90 1pr5 n HIS 62 N -2.21 0.00 -0.39 1.90 1.44 -0.45 -4.89 115.22 110.61 1pr5 n HIS 62 Ca 0.07 -0.21 0.05 0.00 -2.01 0.00 0.00 57.72 55.62 1pr5 n HIS 62 Cb 0.54 -0.02 -0.01 0.00 0.12 0.00 0.00 29.99 30.61 1pr5 n HIS 62 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1pr5 n GLY 63 N -0.21 -1.56 3.85 -1.39 0.00 -0.82 -2.51 105.19 102.54 1pr5 n GLY 63 Ca 0.00 -1.43 -0.37 0.00 0.00 0.00 0.00 46.02 44.22 1pr5 n GLY 63 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pr5 s MET 64 N -1.52 3.69 0.00 1.61 1.00 -1.26 -4.61 119.30 118.21 1pr5 s MET 64 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 55.69 55.79 1pr5 s MET 64 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 34.83 31.61 1pr5 s MET 64 CO 0.00 0.71 0.00 0.41 0.00 0.00 0.00 175.02 176.14 1pr5 n GLY 65 N 2.02 1.43 0.28 -0.03 0.00 -1.25 -4.46 105.19 103.18 1pr5 n GLY 65 Ca -0.17 -1.73 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 1pr5 n GLY 65 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pr5 h ILE 66 N 0.00 1.24 0.00 -0.61 2.04 -1.75 -2.67 117.51 115.76 1pr5 h ILE 66 Ca 0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1pr5 h ILE 66 Cb 0.00 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1pr5 h ILE 66 CO 0.00 0.30 0.00 1.55 0.00 0.00 0.00 178.15 180.00 1pr5 h PRO 67 N 0.86 0.00 0.00 2.37 0.13 -1.90 -1.39 132.00 132.07 1pr5 h PRO 67 Ca 0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 1pr5 h PRO 67 Cb 0.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.37 1pr5 h PRO 67 CO -0.01 0.00 -0.11 1.03 -0.23 0.00 0.00 178.00 178.68 1pr5 h SER 68 N 0.00 0.00 0.72 1.44 0.87 -1.72 -3.24 113.55 111.63 1pr5 h SER 68 Ca 0.00 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 1pr5 h SER 68 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1pr5 h SER 68 CO 0.00 0.77 0.00 0.00 -0.53 0.00 0.00 176.83 177.07 1pr5 h SER 70 N 0.00 0.83 0.73 0.00 0.02 -1.36 -0.34 113.55 113.44 1pr5 h SER 70 Ca 0.00 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 1pr5 h SER 70 Cb 0.36 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.68 1pr5 h SER 70 CO 0.00 1.10 -0.35 0.40 -1.14 0.00 0.00 176.83 176.84 1pr5 h ILE 71 N 0.56 0.27 0.23 3.27 2.04 -1.42 -2.09 117.51 120.38 1pr5 h ILE 71 Ca 0.06 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1pr5 h ILE 71 Cb 0.84 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1pr5 h ILE 71 CO 0.07 0.00 -0.16 1.88 0.00 0.00 0.00 178.15 179.95 1pr5 h TYR 72 N -1.01 -0.41 -0.93 1.37 0.05 -1.54 -2.05 116.97 112.46 1pr5 h TYR 72 Ca -0.10 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.75 1pr5 h TYR 72 Cb 0.76 0.15 -0.06 0.00 1.01 0.00 0.00 36.73 38.59 1pr5 h TYR 72 CO -0.02 -0.24 0.60 1.79 -1.05 0.00 0.00 178.16 179.24 1pr5 h THR 73 N -0.38 1.06 0.15 -2.88 1.35 -1.12 -1.70 112.91 109.39 1pr5 h THR 73 Ca -0.02 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 1pr5 h THR 73 Cb 0.33 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 1pr5 h THR 73 CO 0.01 0.19 -0.07 0.50 -0.25 0.00 0.00 175.52 175.90 1pr5 h LYS 74 N 1.05 -0.19 -0.75 4.72 3.11 -1.15 -1.91 116.57 121.45 1pr5 h LYS 74 Ca 0.40 0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.24 1pr5 h LYS 74 Cb 0.22 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.46 1pr5 h LYS 74 CO -0.16 0.01 0.41 0.93 -2.81 0.00 0.00 179.45 177.83 1pr5 h GLU 75 N -0.37 1.03 -0.16 1.90 5.08 -1.10 -0.41 114.58 120.56 1pr5 h GLU 75 Ca -0.02 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1pr5 h GLU 75 Cb 0.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1pr5 h GLU 75 CO 0.03 0.76 0.09 -0.07 -1.00 0.00 0.00 179.01 178.82 1pr5 h LEU 76 N 1.04 0.21 -0.10 1.33 4.07 -1.23 0.11 115.31 120.74 1pr5 h LEU 76 Ca 0.26 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 1pr5 h LEU 76 Cb 0.02 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.71 1pr5 h LEU 76 CO -0.04 0.24 -0.05 0.40 -1.08 0.00 0.00 178.44 177.90 1pr5 h ILE 77 N 0.16 1.32 0.00 1.22 2.04 -1.03 -1.83 117.51 119.39 1pr5 h ILE 77 Ca 0.06 -1.08 -0.19 0.00 1.00 0.00 0.00 64.86 64.64 1pr5 h ILE 77 Cb 0.08 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1pr5 h ILE 77 CO -0.01 0.31 -0.93 0.71 0.00 0.00 0.00 178.15 178.23 1pr5 h THR 78 N -0.15 1.62 0.00 -0.27 1.35 -1.11 -3.37 112.91 110.99 1pr5 h THR 78 Ca 0.02 -3.22 0.00 0.00 -0.55 0.00 0.00 66.41 62.66 1pr5 h THR 78 Cb 0.51 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 1pr5 h THR 78 CO 0.02 0.91 -0.54 0.47 -0.25 0.00 0.00 175.52 176.12 1pr5 n ASP 79 N -3.37 1.14 -0.13 5.36 9.92 0.39 -4.71 116.55 125.14 1pr5 n ASP 79 Ca 0.00 -0.48 0.08 0.00 -0.53 0.00 0.00 54.79 53.86 1pr5 n ASP 79 Cb 0.90 1.07 0.12 0.00 -0.64 0.00 0.00 41.12 42.57 1pr5 n ASP 79 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1pr5 n PHE 80 N -1.29 0.08 -1.29 1.24 3.01 -0.70 -4.56 117.46 113.94 1pr5 n PHE 80 Ca 0.01 -0.88 -0.10 0.00 1.01 0.00 0.00 57.45 57.48 1pr5 n PHE 80 Cb 0.11 -0.14 -0.04 0.00 -0.01 0.00 0.00 39.48 39.40 1pr5 n PHE 80 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr5 n GLY 81 N -1.14 1.01 3.77 1.37 0.00 -1.21 -4.59 105.19 104.40 1pr5 n GLY 81 Ca 0.13 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1pr5 n GLY 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pr5 s VAL 82 N -1.97 2.58 -0.10 1.61 1.01 -1.12 -4.72 120.40 117.69 1pr5 s VAL 82 Ca 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.55 1pr5 s VAL 82 Cb 0.00 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1pr5 s VAL 82 CO 0.00 0.14 -0.11 0.29 0.00 0.00 0.00 175.10 175.42 1pr5 n LYS 83 N 0.72 0.23 -5.27 2.72 4.76 0.82 -4.57 118.16 117.57 1pr5 n LYS 83 Ca 0.00 0.07 -0.31 0.00 -2.87 0.00 0.00 58.31 55.21 1pr5 n LYS 83 Cb 0.41 -1.05 -0.16 0.00 -1.84 0.00 0.00 35.03 32.39 1pr5 n LYS 83 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1pr5 s LYS 84 N -2.19 2.31 -0.11 1.97 1.02 -0.68 -1.40 119.74 120.66 1pr5 s LYS 84 Ca -0.14 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 54.97 1pr5 s LYS 84 Cb 0.04 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1pr5 s LYS 84 CO 0.21 0.46 -0.15 0.42 -0.92 0.00 0.00 175.35 175.36 1pr5 s ILE 85 N -0.36 1.50 -0.31 2.17 1.01 0.03 -2.63 121.20 122.62 1pr5 s ILE 85 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1pr5 s ILE 85 Cb -0.12 -1.38 0.08 0.00 0.01 0.00 0.00 42.46 41.05 1pr5 s ILE 85 CO 0.01 0.44 -0.01 -0.63 0.00 0.00 0.00 174.94 174.76 1pr5 s ILE 86 N 1.05 2.40 -0.03 2.92 1.01 -1.17 -0.73 121.20 126.65 1pr5 s ILE 86 Ca -0.05 -1.93 -0.30 0.00 0.00 0.00 0.00 60.65 58.37 1pr5 s ILE 86 Cb -0.15 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1pr5 s ILE 86 CO -0.03 -0.32 1.21 -0.60 0.00 0.00 0.00 174.94 175.20 1pr5 s ARG 87 N 1.04 4.36 -0.74 2.79 3.52 0.68 -1.09 118.95 129.50 1pr5 s ARG 87 Ca 0.01 1.71 -0.00 0.00 -0.13 0.00 0.00 55.73 57.32 1pr5 s ARG 87 Cb -0.20 -3.52 0.18 0.00 -1.56 0.00 0.00 34.95 29.85 1pr5 s ARG 87 CO -0.06 -0.42 0.57 0.14 -0.81 0.00 0.00 175.30 174.72 1pr5 s VAL 88 N 2.03 3.71 0.00 7.11 -7.23 -0.03 -0.46 120.40 125.52 1pr5 s VAL 88 Ca 0.57 -3.64 0.00 0.00 -1.81 0.00 0.00 61.98 57.10 1pr5 s VAL 88 Cb -0.26 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.31 1pr5 s VAL 88 CO 0.24 -0.98 0.00 0.61 -0.31 0.00 0.00 175.10 174.65 1pr5 n GLY 89 N 2.66 5.31 3.52 2.32 0.00 -0.56 -3.99 105.19 114.46 1pr5 n GLY 89 Ca 0.16 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.81 1pr5 n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pr5 s SER 90 N -0.19 3.25 0.23 1.61 1.04 -1.26 -1.34 113.70 117.04 1pr5 s SER 90 Ca 0.00 -1.30 -0.22 0.00 0.48 0.00 0.00 55.95 54.91 1pr5 s SER 90 Cb 0.00 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.89 1pr5 s SER 90 CO 0.00 -0.41 0.73 0.00 0.98 0.00 0.00 173.24 174.54 1pr5 s GLY 92 N -2.87 2.12 0.02 0.00 0.00 0.10 -0.26 107.32 106.42 1pr5 s GLY 92 Ca 0.09 -0.76 -0.09 0.00 0.00 0.00 0.00 44.72 43.97 1pr5 s GLY 92 CO 0.02 -0.59 0.32 0.00 0.00 0.00 0.00 173.10 172.85 1pr5 s ALA 93 N -1.19 3.79 -0.00 3.20 0.00 0.03 0.93 121.76 128.52 1pr5 s ALA 93 Ca 0.22 -0.47 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1pr5 s ALA 93 Cb -0.12 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1pr5 s ALA 93 CO 0.13 0.60 0.02 1.55 0.00 0.00 0.00 175.76 178.06 1pr5 n VAL 94 N 1.18 0.02 -3.03 0.00 3.14 -1.26 -0.98 118.33 117.40 1pr5 n VAL 94 Ca -0.11 -0.04 -0.37 0.00 -2.96 0.00 0.00 64.34 60.86 1pr5 n VAL 94 Cb 0.53 0.13 -0.06 0.00 -1.06 0.00 0.00 33.84 33.38 1pr5 n VAL 94 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1pr5 s LEU 95 N -3.33 4.44 0.42 6.55 1.43 -1.26 -4.86 118.68 122.07 1pr5 s LEU 95 Ca -0.01 1.53 0.08 0.00 -1.03 0.00 0.00 54.13 54.71 1pr5 s LEU 95 Cb 0.01 -3.50 0.91 0.00 0.03 0.00 0.00 46.19 43.64 1pr5 s LEU 95 CO 0.06 0.09 2.07 1.55 0.23 0.00 0.00 176.35 180.35 1pr5 h PRO 96 N 3.75 0.47 -0.26 1.29 0.13 -1.99 -2.61 132.00 132.78 1pr5 h PRO 96 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1pr5 h PRO 96 Cb 1.20 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pr5 h PRO 96 CO 0.65 0.31 0.00 -2.39 -0.23 0.00 0.00 178.00 176.34 1pr5 n HIS 97 N -4.48 0.35 -3.57 1.56 1.44 -1.26 -4.81 115.22 104.44 1pr5 n HIS 97 Ca 0.02 -0.18 -0.37 0.00 -2.01 0.00 0.00 57.72 55.19 1pr5 n HIS 97 Cb 0.06 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.08 1pr5 n HIS 97 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1pr5 s VAL 98 N -1.65 5.31 0.14 0.61 1.01 -0.99 -5.08 120.40 119.75 1pr5 s VAL 98 Ca 0.21 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.55 1pr5 s VAL 98 Cb 0.11 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1pr5 s VAL 98 CO 0.15 0.30 0.13 -0.54 0.00 0.00 0.00 175.10 175.13 1pr5 s LYS 99 N 1.30 2.92 0.82 2.72 1.02 -1.26 -4.92 119.74 122.33 1pr5 s LYS 99 Ca 0.10 -0.80 -0.15 0.00 0.02 0.00 0.00 55.97 55.14 1pr5 s LYS 99 Cb -0.14 -2.68 0.00 0.00 -0.52 0.00 0.00 37.83 34.48 1pr5 s LYS 99 CO 0.07 0.51 0.56 1.28 -0.92 0.00 0.00 175.35 176.85 1pr5 n LEU 100 N -0.11 0.87 0.00 3.17 4.32 -1.26 -1.35 117.00 122.64 1pr5 n LEU 100 Ca -0.08 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.40 1pr5 n LEU 100 Cb 0.54 -1.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.09 1pr5 n LEU 100 CO 0.44 -3.14 0.00 0.54 -1.22 0.00 0.00 177.39 174.01 1pr5 n ARG 101 N -1.35 -1.20 -2.43 3.23 1.74 0.25 -4.89 116.66 112.01 1pr5 n ARG 101 Ca 0.09 0.30 -0.39 0.00 -0.77 0.00 0.00 57.85 57.08 1pr5 n ARG 101 Cb 0.51 -4.77 -0.04 0.00 -1.02 0.00 0.00 32.46 27.15 1pr5 n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pr5 s ASP 102 N -2.01 7.02 -0.05 0.55 -0.00 -0.46 -4.69 116.67 117.03 1pr5 s ASP 102 Ca 0.00 2.28 -0.15 0.00 -0.00 0.00 0.00 52.55 54.68 1pr5 s ASP 102 Cb 0.00 -2.62 -0.05 0.00 -0.00 0.00 0.00 42.92 40.25 1pr5 s ASP 102 CO 0.00 -0.32 0.40 -0.69 -0.00 0.00 0.00 175.17 174.56 1pr5 s VAL 103 N -1.28 5.12 0.01 -1.27 1.01 -1.26 -1.19 120.40 121.53 1pr5 s VAL 103 Ca 0.49 0.81 0.07 0.00 0.00 0.00 0.00 61.98 63.34 1pr5 s VAL 103 Cb -0.31 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1pr5 s VAL 103 CO 0.39 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 175.09 1pr5 s VAL 104 N -0.46 1.64 -0.18 2.92 1.01 0.63 -2.40 120.40 123.56 1pr5 s VAL 104 Ca 0.23 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1pr5 s VAL 104 Cb -0.16 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1pr5 s VAL 104 CO 0.11 0.35 -0.19 -0.63 0.00 0.00 0.00 175.10 174.74 1pr5 s ILE 105 N -0.62 2.15 -0.54 2.22 1.01 0.51 -0.92 121.20 125.01 1pr5 s ILE 105 Ca 0.08 -0.92 -0.18 0.00 0.00 0.00 0.00 60.65 59.63 1pr5 s ILE 105 Cb -0.08 -1.90 0.09 0.00 0.01 0.00 0.00 42.46 40.57 1pr5 s ILE 105 CO 0.00 0.53 0.61 -0.83 0.00 0.00 0.00 174.94 175.26 1pr5 s GLY 106 N 1.21 1.85 0.42 6.18 0.00 -0.53 -0.55 107.32 115.90 1pr5 s GLY 106 Ca 0.03 -2.10 0.23 0.00 0.00 0.00 0.00 44.72 42.88 1pr5 s GLY 106 CO -0.10 1.43 1.63 1.98 0.00 0.00 0.00 173.10 178.04 1pr5 h MET 107 N 9.03 0.00 -4.47 2.90 4.05 -1.18 -3.39 114.93 121.86 1pr5 h MET 107 Ca -0.29 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 58.94 1pr5 h MET 107 Cb 1.09 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 31.74 1pr5 h MET 107 CO 1.02 0.11 -0.65 0.20 0.23 0.00 0.00 176.91 177.82 1pr5 s GLY 108 N -4.26 0.97 -0.24 1.39 0.00 -1.06 -0.92 107.32 103.21 1pr5 s GLY 108 Ca 0.05 -1.46 -0.04 0.00 0.00 0.00 0.00 44.72 43.28 1pr5 s GLY 108 CO 0.67 -1.39 0.41 0.00 0.00 0.00 0.00 173.10 172.79 1pr5 s ALA 109 N -3.96 -1.20 0.83 3.20 0.00 -0.28 -1.51 121.76 118.84 1pr5 s ALA 109 Ca 0.22 1.13 -0.12 0.00 0.00 0.00 0.00 51.96 53.19 1pr5 s ALA 109 Cb 0.07 -1.63 0.09 0.00 0.00 0.00 0.00 23.12 21.66 1pr5 s ALA 109 CO 0.01 -1.14 1.15 0.00 0.00 0.00 0.00 175.76 175.78 1pr5 s THR 111 N -3.43 0.00 -0.65 0.00 -1.32 -1.26 0.01 115.64 108.98 1pr5 s THR 111 Ca 0.62 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.17 1pr5 s THR 111 Cb -0.12 -1.00 0.20 0.00 -1.51 0.00 0.00 72.50 70.06 1pr5 s THR 111 CO 0.51 0.00 1.14 -0.90 -2.21 0.00 0.00 174.62 173.16 1pr5 n ASP 112 N -0.32 2.55 -4.85 8.08 3.85 -1.13 -4.95 116.55 119.78 1pr5 n ASP 112 Ca -0.14 -1.95 -0.32 0.00 -0.71 0.00 0.00 54.79 51.68 1pr5 n ASP 112 Cb 0.64 -0.14 -0.01 0.00 -1.35 0.00 0.00 41.12 40.25 1pr5 n ASP 112 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1pr5 s SER 113 N -0.97 6.32 0.00 -1.12 0.15 -1.26 -4.88 113.70 111.94 1pr5 s SER 113 Ca 0.15 1.54 0.23 0.00 0.70 0.00 0.00 55.95 58.57 1pr5 s SER 113 Cb 0.08 -2.50 0.07 0.00 -1.71 0.00 0.00 66.02 61.97 1pr5 s SER 113 CO 0.11 -0.80 1.14 1.17 1.20 0.00 0.00 173.24 176.06 1pr5 n LYS 114 N -2.14 1.30 -0.05 5.44 4.81 -1.26 -4.62 118.16 121.64 1pr5 n LYS 114 Ca 0.07 -1.06 -0.10 0.00 -0.87 0.00 0.00 58.31 56.35 1pr5 n LYS 114 Cb 0.54 -1.48 -0.04 0.00 0.02 0.00 0.00 35.03 34.07 1pr5 n LYS 114 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1pr5 h VAL 115 N 2.59 0.22 0.00 3.15 2.07 -1.99 -0.25 116.25 122.04 1pr5 h VAL 115 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1pr5 h VAL 115 Cb 0.76 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1pr5 h VAL 115 CO 0.00 0.00 -0.23 0.78 0.02 0.00 0.00 177.57 178.14 1pr5 h ASN 116 N -0.36 0.00 0.41 0.57 2.35 -1.93 -1.80 115.58 114.83 1pr5 h ASN 116 Ca 0.12 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 1pr5 h ASN 116 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1pr5 h ASN 116 CO -0.45 0.23 -0.56 0.03 -1.65 0.00 0.00 177.43 175.03 1pr5 h ARG 117 N 0.00 0.15 -0.24 0.81 3.08 -1.56 -0.67 114.38 115.96 1pr5 h ARG 117 Ca -0.00 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.85 1pr5 h ARG 117 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1pr5 h ARG 117 CO 0.03 0.67 -0.30 0.82 -1.07 0.00 0.00 179.97 180.12 1pr5 h ILE 118 N 0.12 1.28 -0.32 2.04 2.04 -0.22 0.21 117.51 122.65 1pr5 h ILE 118 Ca -0.00 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1pr5 h ILE 118 Cb 1.02 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1pr5 h ILE 118 CO 0.08 0.43 0.00 -2.11 0.00 0.00 0.00 178.15 176.55 1pr5 n ARG 119 N -4.09 2.34 -1.47 2.37 1.85 -0.99 -4.31 116.66 112.36 1pr5 n ARG 119 Ca -0.01 -2.02 0.01 0.00 -1.00 0.00 0.00 57.85 54.83 1pr5 n ARG 119 Cb 0.44 -1.49 0.09 0.00 -1.05 0.00 0.00 32.46 30.44 1pr5 n ARG 119 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1pr5 n PHE 120 N 1.24 0.51 -3.93 2.89 7.35 -0.29 -4.99 117.46 120.24 1pr5 n PHE 120 Ca 0.18 -1.27 -0.26 0.00 -0.76 0.00 0.00 57.45 55.35 1pr5 n PHE 120 Cb 0.55 -0.22 -0.01 0.00 0.35 0.00 0.00 39.48 40.16 1pr5 n PHE 120 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1pr5 n LYS 121 N -0.33 -3.85 -2.05 -4.13 5.02 -1.17 -1.77 118.16 109.89 1pr5 n LYS 121 Ca 0.15 0.47 -0.19 0.00 -2.02 0.00 0.00 58.31 56.71 1pr5 n LYS 121 Cb 0.93 -4.83 -0.04 0.00 -0.02 0.00 0.00 35.03 31.07 1pr5 n LYS 121 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1pr5 n ASP 122 N -2.95 -5.27 -2.69 4.39 4.64 0.74 -4.99 116.55 110.42 1pr5 n ASP 122 Ca -0.23 0.21 -0.06 0.00 -1.38 0.00 0.00 54.79 53.34 1pr5 n ASP 122 Cb 0.64 -4.52 0.01 0.00 -1.04 0.00 0.00 41.12 36.21 1pr5 n ASP 122 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 1pr5 n HIS 123 N -3.19 -1.96 -3.34 -0.67 8.25 -0.73 -5.03 115.22 108.55 1pr5 n HIS 123 Ca -0.21 -0.54 -0.44 0.00 -0.26 0.00 0.00 57.72 56.28 1pr5 n HIS 123 Cb 0.65 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 1pr5 n HIS 123 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pr5 s ASP 124 N -1.81 6.17 -0.28 0.41 -0.00 -1.26 -4.60 116.67 115.29 1pr5 s ASP 124 Ca 0.11 -0.96 -0.13 0.00 -0.00 0.00 0.00 52.55 51.57 1pr5 s ASP 124 Cb -0.01 -2.21 -0.04 0.00 -0.00 0.00 0.00 42.92 40.66 1pr5 s ASP 124 CO 0.07 -0.64 0.26 0.12 -0.00 0.00 0.00 175.17 174.98 1pr5 s PHE 125 N 1.99 3.23 -0.49 4.23 5.36 -1.26 -5.03 117.98 126.01 1pr5 s PHE 125 Ca 0.09 0.20 -0.28 0.00 -0.96 0.00 0.00 56.93 55.98 1pr5 s PHE 125 Cb -0.20 -2.46 0.01 0.00 -0.34 0.00 0.00 43.02 40.03 1pr5 s PHE 125 CO 0.10 -0.20 1.43 0.00 -1.46 0.00 0.00 175.22 175.09 1pr5 s ALA 126 N 1.87 2.90 -0.71 11.12 0.00 -1.26 -4.94 121.76 130.74 1pr5 s ALA 126 Ca 0.10 -0.42 -0.27 0.00 0.00 0.00 0.00 51.96 51.36 1pr5 s ALA 126 Cb -0.16 -4.03 0.02 0.00 0.00 0.00 0.00 23.12 18.95 1pr5 s ALA 126 CO 0.11 -2.71 1.40 0.00 0.00 0.00 0.00 175.76 174.56 1pr5 s ALA 127 N 5.88 2.63 0.23 0.00 0.00 -1.26 -4.97 121.76 124.26 1pr5 s ALA 127 Ca 0.57 -1.22 0.12 0.00 0.00 0.00 0.00 51.96 51.43 1pr5 s ALA 127 Cb -0.12 -4.27 -0.05 0.00 0.00 0.00 0.00 23.12 18.68 1pr5 s ALA 127 CO 0.29 -3.42 -0.22 0.96 0.00 0.00 0.00 175.76 173.36 1pr5 s ILE 128 N 6.44 2.40 0.91 0.00 -4.36 -1.26 -1.13 121.20 124.20 1pr5 s ILE 128 Ca 0.42 -2.18 -0.11 0.00 -0.26 0.00 0.00 60.65 58.52 1pr5 s ILE 128 Cb -0.09 -2.19 0.20 0.00 1.25 0.00 0.00 42.46 41.63 1pr5 s ILE 128 CO 0.16 -0.23 1.24 0.00 0.24 0.00 0.00 174.94 176.35 1pr5 s ALA 129 N -2.01 2.71 -0.17 2.27 0.00 -0.09 -4.91 121.76 119.56 1pr5 s ALA 129 Ca 0.24 -1.53 -0.27 0.00 0.00 0.00 0.00 51.96 50.41 1pr5 s ALA 129 Cb -0.07 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.59 1pr5 s ALA 129 CO 0.12 -2.25 0.90 0.34 0.00 0.00 0.00 175.76 174.86 1pr5 s ASP 130 N -4.91 7.03 0.14 0.00 -1.08 -0.87 -4.96 116.67 112.02 1pr5 s ASP 130 Ca 0.74 1.27 -0.24 0.00 -0.52 0.00 0.00 52.55 53.79 1pr5 s ASP 130 Cb -0.03 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1pr5 s ASP 130 CO 0.51 -0.45 1.62 0.15 0.52 0.00 0.00 175.17 177.52 1pr5 h PHE 131 N 7.31 -0.80 -0.49 -5.34 3.57 -1.95 -0.20 116.94 119.04 1pr5 h PHE 131 Ca -0.28 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.32 1pr5 h PHE 131 Cb 1.12 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 40.19 1pr5 h PHE 131 CO 0.72 -0.37 0.20 -0.44 -2.23 0.00 0.00 178.31 176.20 1pr5 h ASP 132 N -0.33 0.25 -0.97 0.41 3.32 -1.98 0.11 116.42 117.21 1pr5 h ASP 132 Ca 0.11 0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1pr5 h ASP 132 Cb 0.51 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1pr5 h ASP 132 CO -0.37 0.17 0.63 0.24 -1.72 0.00 0.00 179.24 178.19 1pr5 h MET 133 N 0.40 1.12 -0.40 3.56 2.86 -1.81 0.60 114.93 121.26 1pr5 h MET 133 Ca 0.23 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1pr5 h MET 133 Cb 0.21 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1pr5 h MET 133 CO -0.21 0.74 0.16 0.28 1.06 0.00 0.00 176.91 178.94 1pr5 h VAL 134 N 1.16 1.20 -0.43 -2.22 2.07 0.61 -2.03 116.25 116.61 1pr5 h VAL 134 Ca 0.41 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 1pr5 h VAL 134 Cb 0.13 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1pr5 h VAL 134 CO -0.15 0.22 -0.21 -0.09 0.02 0.00 0.00 177.57 177.36 1pr5 h ARG 135 N 0.50 0.85 -0.81 1.57 2.43 0.25 -1.49 114.38 117.68 1pr5 h ARG 135 Ca 0.13 -0.34 0.05 0.00 -0.81 0.00 0.00 59.98 59.01 1pr5 h ARG 135 Cb 0.20 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 1pr5 h ARG 135 CO -0.01 0.98 0.50 -0.91 -1.51 0.00 0.00 179.97 179.02 1pr5 h ASN 136 N 0.74 0.80 0.14 -3.80 2.35 0.38 0.07 115.58 116.27 1pr5 h ASN 136 Ca 0.10 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 1pr5 h ASN 136 Cb 0.74 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 1pr5 h ASN 136 CO 0.06 0.53 -0.33 0.00 -1.65 0.00 0.00 177.43 176.04 1pr5 h ALA 137 N 1.37 1.18 -0.02 -0.83 0.00 -0.92 0.54 119.26 120.58 1pr5 h ALA 137 Ca 0.35 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pr5 h ALA 137 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pr5 h ALA 137 CO -0.15 0.54 -0.04 0.28 0.00 0.00 0.00 179.25 179.87 1pr5 h VAL 138 N 0.24 1.46 -0.23 0.00 2.07 -0.46 -2.39 116.25 116.95 1pr5 h VAL 138 Ca 0.03 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.17 1pr5 h VAL 138 Cb 0.71 2.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1pr5 h VAL 138 CO 0.05 0.38 0.05 0.44 0.02 0.00 0.00 177.57 178.51 1pr5 h ASP 139 N -0.50 0.03 -0.59 0.57 3.45 -0.92 -1.72 116.42 116.74 1pr5 h ASP 139 Ca -0.00 0.03 0.11 0.00 0.43 0.00 0.00 57.03 57.60 1pr5 h ASP 139 Cb 0.64 0.04 -0.08 0.00 -0.56 0.00 0.00 39.33 39.36 1pr5 h ASP 139 CO 0.01 0.05 0.15 0.00 -1.57 0.00 0.00 179.24 177.88 1pr5 h ALA 140 N 1.16 0.72 0.25 3.45 0.00 -0.93 -1.01 119.26 122.89 1pr5 h ALA 140 Ca 0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1pr5 h ALA 140 Cb 0.09 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1pr5 h ALA 140 CO -0.13 -0.28 -0.24 0.00 0.00 0.00 0.00 179.25 178.60 1pr5 h ALA 141 N 1.46 -0.50 -0.90 0.00 0.00 -0.86 -0.88 119.26 117.59 1pr5 h ALA 141 Ca 0.31 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.26 1pr5 h ALA 141 Cb 0.44 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1pr5 h ALA 141 CO -0.37 -0.81 0.58 -0.22 0.00 0.00 0.00 179.25 178.43 1pr5 h LYS 142 N -0.51 0.79 0.00 0.00 3.64 -0.83 0.29 116.57 119.95 1pr5 h LYS 142 Ca -0.01 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1pr5 h LYS 142 Cb 0.47 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1pr5 h LYS 142 CO -0.05 0.53 -0.49 0.00 -2.27 0.00 0.00 179.45 177.16 1pr5 h ALA 143 N 1.57 0.96 -0.02 5.00 0.00 -0.68 -2.72 119.26 123.37 1pr5 h ALA 143 Ca 0.43 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1pr5 h ALA 143 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pr5 h ALA 143 CO -0.20 0.62 -0.01 1.28 0.00 0.00 0.00 179.25 180.94 1pr5 n LEU 144 N -3.63 1.97 -2.00 0.00 4.77 -0.29 -4.93 117.00 112.89 1pr5 n LEU 144 Ca -0.01 -0.66 -0.16 0.00 -0.03 0.00 0.00 56.01 55.16 1pr5 n LEU 144 Cb 0.57 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1pr5 n LEU 144 CO 0.39 0.33 -0.12 0.61 -1.33 0.00 0.00 177.39 177.27 1pr5 n GLY 145 N 1.24 -0.25 3.55 -0.72 0.00 -0.07 -5.01 105.19 103.94 1pr5 n GLY 145 Ca 0.17 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1pr5 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pr5 s ILE 146 N -2.88 3.52 0.62 -0.61 1.01 -0.61 -5.02 121.20 117.22 1pr5 s ILE 146 Ca 0.09 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.05 1pr5 s ILE 146 Cb -0.04 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1pr5 s ILE 146 CO 0.11 0.58 1.03 -1.81 0.00 0.00 0.00 174.94 174.86 1pr5 s ASP 147 N -0.83 6.08 -0.29 3.58 -0.00 -1.26 -4.23 116.67 119.72 1pr5 s ASP 147 Ca 0.12 1.51 -0.16 0.00 -0.00 0.00 0.00 52.55 54.03 1pr5 s ASP 147 Cb -0.11 -2.48 0.15 0.00 -0.00 0.00 0.00 42.92 40.48 1pr5 s ASP 147 CO 0.02 -0.97 0.97 0.00 -0.00 0.00 0.00 175.17 175.19 1pr5 s ALA 148 N -3.02 -2.39 -0.05 5.23 0.00 -1.26 -4.37 121.76 115.89 1pr5 s ALA 148 Ca 0.57 2.17 -0.15 0.00 0.00 0.00 0.00 51.96 54.55 1pr5 s ALA 148 Cb -0.12 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1pr5 s ALA 148 CO 0.50 -0.53 0.38 1.03 0.00 0.00 0.00 175.76 177.14 1pr5 s ARG 149 N 1.69 3.99 -0.17 0.00 0.52 -1.01 -4.92 118.95 119.05 1pr5 s ARG 149 Ca -0.07 0.34 -0.06 0.00 -0.52 0.00 0.00 55.73 55.42 1pr5 s ARG 149 Cb -0.04 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 1pr5 s ARG 149 CO -0.16 0.56 0.02 0.08 0.02 0.00 0.00 175.30 175.82 1pr5 s VAL 150 N -0.62 4.38 -0.02 3.52 1.01 -1.26 -0.36 120.40 127.04 1pr5 s VAL 150 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1pr5 s VAL 150 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1pr5 s VAL 150 CO 0.11 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1pr5 n GLY 151 N 3.51 -0.71 3.84 4.51 0.00 0.29 -4.94 105.19 111.68 1pr5 n GLY 151 Ca -0.17 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1pr5 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pr5 s ASN 152 N -4.00 6.81 0.43 1.61 0.01 -1.26 -0.62 114.94 117.92 1pr5 s ASN 152 Ca 0.00 0.97 0.07 0.00 -0.71 0.00 0.00 52.86 53.19 1pr5 s ASN 152 Cb 0.00 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 1pr5 s ASN 152 CO 0.00 0.32 0.27 -0.76 -1.51 0.00 0.00 177.10 175.41 1pr5 s LEU 153 N -1.13 3.15 -0.16 0.60 1.43 -0.57 -0.82 118.68 121.19 1pr5 s LEU 153 Ca 0.24 -1.00 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 1pr5 s LEU 153 Cb -0.17 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.49 1pr5 s LEU 153 CO 0.14 -0.65 -0.05 0.12 0.23 0.00 0.00 176.35 176.14 1pr5 s PHE 154 N -2.58 1.62 -0.41 0.29 5.36 -0.84 0.03 117.98 121.45 1pr5 s PHE 154 Ca 0.42 -1.03 -0.21 0.00 -0.96 0.00 0.00 56.93 55.16 1pr5 s PHE 154 Cb 0.01 -1.28 0.02 0.00 -0.34 0.00 0.00 43.02 41.43 1pr5 s PHE 154 CO 0.24 -0.60 0.65 -1.12 -1.46 0.00 0.00 175.22 172.92 1pr5 s SER 155 N 1.66 6.36 -0.01 6.13 0.01 0.10 -1.94 113.70 126.00 1pr5 s SER 155 Ca 0.01 -0.18 -0.03 0.00 1.31 0.00 0.00 55.95 57.06 1pr5 s SER 155 Cb -0.15 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 1pr5 s SER 155 CO -0.08 -0.73 0.19 0.00 0.41 0.00 0.00 173.24 173.04 1pr5 s ALA 156 N 2.81 3.94 0.04 1.44 0.00 -0.31 -2.82 121.76 126.87 1pr5 s ALA 156 Ca 0.23 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1pr5 s ALA 156 Cb -0.14 -1.91 -0.22 0.00 0.00 0.00 0.00 23.12 20.85 1pr5 s ALA 156 CO 0.18 0.73 0.97 -0.44 0.00 0.00 0.00 175.76 177.20 1pr5 h ASP 157 N 3.87 0.02 -3.74 0.00 3.32 -1.89 -3.41 116.42 114.59 1pr5 h ASP 157 Ca -0.49 -0.03 -0.68 0.00 0.02 0.00 0.00 57.03 55.84 1pr5 h ASP 157 Cb 1.19 -0.01 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 1pr5 h ASP 157 CO 0.68 1.03 -0.69 -0.76 -1.72 0.00 0.00 179.24 177.78 1pr5 s LEU 158 N -6.44 4.05 0.24 1.55 1.43 -1.26 -4.96 118.68 113.29 1pr5 s LEU 158 Ca -0.02 -1.39 -0.06 0.00 -1.03 0.00 0.00 54.13 51.62 1pr5 s LEU 158 Cb 0.09 -1.71 0.29 0.00 0.03 0.00 0.00 46.19 44.89 1pr5 s LEU 158 CO 0.82 -0.29 1.86 0.15 0.23 0.00 0.00 176.35 179.13 1pr5 h PHE 159 N 7.97 1.01 -3.73 0.29 3.04 -1.98 -3.16 116.94 120.38 1pr5 h PHE 159 Ca -0.19 0.03 -0.77 0.00 3.98 0.00 0.00 57.97 61.01 1pr5 h PHE 159 Cb 1.06 -0.33 -0.28 0.00 2.56 0.00 0.00 35.95 38.96 1pr5 h PHE 159 CO 0.60 0.55 -0.02 0.71 -2.02 0.00 0.00 178.31 178.14 1pr5 s TYR 160 N -6.08 3.67 0.10 0.41 2.02 -1.26 -5.05 117.35 111.15 1pr5 s TYR 160 Ca -0.13 -2.10 -0.30 0.00 -0.37 0.00 0.00 57.07 54.17 1pr5 s TYR 160 Cb 0.18 -3.69 -0.06 0.00 -0.40 0.00 0.00 41.96 37.98 1pr5 s TYR 160 CO 0.79 -0.96 1.09 0.45 -1.57 0.00 0.00 175.55 175.35 1pr5 s SER 161 N 1.95 7.26 0.09 2.29 0.15 -1.20 -4.93 113.70 119.32 1pr5 s SER 161 Ca 0.17 1.95 0.25 0.00 0.70 0.00 0.00 55.95 59.02 1pr5 s SER 161 Cb -0.13 -2.59 0.99 0.00 -1.71 0.00 0.00 66.02 62.58 1pr5 s SER 161 CO -0.07 -0.28 1.79 -0.81 1.20 0.00 0.00 173.24 175.07 1pr5 n PRO 162 N 3.17 0.10 -3.86 5.44 -0.04 -1.26 -4.40 135.00 134.14 1pr5 n PRO 162 Ca 0.05 0.15 -0.34 0.00 -0.04 0.00 0.00 63.50 63.32 1pr5 n PRO 162 Cb 0.47 -1.63 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 1pr5 n PRO 162 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1pr5 s ASP 163 N -3.59 4.92 0.32 3.54 2.15 -1.26 -4.94 116.67 117.81 1pr5 s ASP 163 Ca 0.11 -2.48 0.24 0.00 0.43 0.00 0.00 52.55 50.85 1pr5 s ASP 163 Cb 0.14 -1.74 0.55 0.00 -0.30 0.00 0.00 42.92 41.57 1pr5 s ASP 163 CO 0.49 -0.39 1.66 1.23 -0.17 0.00 0.00 175.17 178.00 1pr5 h GLY 164 N 7.35 0.00 2.00 2.66 0.00 -2.02 -3.15 103.07 109.90 1pr5 h GLY 164 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1pr5 h GLY 164 CO 0.66 0.00 0.00 -2.09 0.00 0.00 0.00 176.54 175.11 1pr5 h GLU 165 N 0.00 0.00 0.00 4.80 4.22 -1.97 -1.76 114.58 119.87 1pr5 h GLU 165 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1pr5 h GLU 165 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1pr5 h GLU 165 CO 0.00 0.00 0.00 1.98 -2.18 0.00 0.00 179.01 178.81 1pr5 h MET 166 N 0.00 0.00 0.00 1.92 4.05 -1.99 -2.70 114.93 116.21 1pr5 h MET 166 Ca 0.00 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 1pr5 h MET 166 Cb 0.21 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 1pr5 h MET 166 CO 0.00 0.00 -0.64 0.74 0.23 0.00 0.00 176.91 177.24 1pr5 h PHE 167 N 0.00 0.00 -0.23 1.39 -1.00 -1.55 -0.62 116.94 114.93 1pr5 h PHE 167 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 1pr5 h PHE 167 Cb 0.49 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.04 1pr5 h PHE 167 CO 0.00 0.64 -0.51 -0.44 -1.61 0.00 0.00 178.31 176.39 1pr5 h ASP 168 N 0.00 0.69 -0.05 2.17 3.45 -1.64 0.79 116.42 121.84 1pr5 h ASP 168 Ca -0.01 -0.35 -0.01 0.00 0.43 0.00 0.00 57.03 57.09 1pr5 h ASP 168 Cb 1.20 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 39.77 1pr5 h ASP 168 CO 0.08 1.07 -0.01 0.58 -1.57 0.00 0.00 179.24 179.39 1pr5 h VAL 169 N 0.49 1.30 0.04 -1.35 2.07 -1.52 0.98 116.25 118.27 1pr5 h VAL 169 Ca 0.02 -0.94 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1pr5 h VAL 169 Cb 1.05 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 1pr5 h VAL 169 CO 0.10 0.26 -0.12 0.24 0.02 0.00 0.00 177.57 178.06 1pr5 h MET 170 N -0.27 -0.22 -0.61 1.57 2.86 -1.00 -2.08 114.93 115.19 1pr5 h MET 170 Ca 0.01 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1pr5 h MET 170 Cb 0.42 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1pr5 h MET 170 CO 0.01 -0.15 0.35 1.49 1.06 0.00 0.00 176.91 179.67 1pr5 h GLU 171 N -0.23 0.66 -0.65 1.72 4.81 -0.81 -1.49 114.58 118.59 1pr5 h GLU 171 Ca 0.03 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1pr5 h GLU 171 Cb 0.26 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.43 1pr5 h GLU 171 CO -0.09 0.44 0.32 -0.22 -0.73 0.00 0.00 179.01 178.73 1pr5 h LYS 172 N 0.68 0.56 -0.45 1.92 3.64 -0.41 0.20 116.57 122.71 1pr5 h LYS 172 Ca 0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1pr5 h LYS 172 Cb 0.09 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1pr5 h LYS 172 CO -0.13 0.37 0.00 0.66 -2.27 0.00 0.00 179.45 178.08 1pr5 n TYR 173 N -4.86 0.43 -3.79 1.91 4.01 -0.82 -4.93 117.16 109.10 1pr5 n TYR 173 Ca 0.09 -0.18 -0.25 0.00 -0.16 0.00 0.00 57.90 57.40 1pr5 n TYR 173 Cb 0.22 -0.08 0.01 0.00 -0.31 0.00 0.00 39.34 39.19 1pr5 n TYR 173 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pr5 n GLY 174 N 0.64 -0.43 3.73 2.72 0.00 0.69 -4.95 105.19 107.59 1pr5 n GLY 174 Ca 0.08 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1pr5 n GLY 174 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1pr5 s ILE 175 N -3.74 4.41 0.17 -0.61 -5.25 -0.67 -4.71 121.20 110.80 1pr5 s ILE 175 Ca 0.11 1.97 -0.08 0.00 -0.99 0.00 0.00 60.65 61.66 1pr5 s ILE 175 Cb -0.04 -4.26 -0.03 0.00 2.95 0.00 0.00 42.46 41.08 1pr5 s ILE 175 CO 0.85 0.28 1.51 -0.07 -1.79 0.00 0.00 174.94 175.72 1pr5 h LEU 176 N 5.69 0.88 -7.29 0.37 3.38 -1.34 -3.42 115.31 113.58 1pr5 h LEU 176 Ca -0.43 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.05 1pr5 h LEU 176 Cb 1.21 -0.25 -0.19 0.00 0.09 0.00 0.00 40.66 41.52 1pr5 h LEU 176 CO 0.73 1.17 -0.07 -0.83 0.09 0.00 0.00 178.44 179.53 1pr5 s GLY 177 N -3.92 -0.34 -0.29 0.83 0.00 -1.26 -4.46 107.32 97.88 1pr5 s GLY 177 Ca -0.10 0.73 -0.09 0.00 0.00 0.00 0.00 44.72 45.26 1pr5 s GLY 177 CO 0.87 0.46 0.14 0.14 0.00 0.00 0.00 173.10 174.70 1pr5 s VAL 178 N -1.37 4.59 0.00 1.40 1.01 0.27 -1.99 120.40 124.30 1pr5 s VAL 178 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1pr5 s VAL 178 Cb -0.03 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1pr5 s VAL 178 CO 0.06 0.14 0.00 -1.84 0.00 0.00 0.00 175.10 173.46 1pr5 n GLU 179 N 4.97 1.14 -0.53 2.72 -0.00 -0.82 -0.73 120.64 127.40 1pr5 n GLU 179 Ca -0.14 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.05 1pr5 n GLU 179 Cb 0.50 0.00 0.06 0.00 -0.00 0.00 0.00 31.44 32.00 1pr5 n GLU 179 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1pr5 n MET 180 N 0.00 0.47 0.00 3.44 2.81 -1.26 -1.16 117.12 121.42 1pr5 n MET 180 Ca 0.00 -1.75 0.00 0.00 -1.81 0.00 0.00 57.70 54.14 1pr5 n MET 180 Cb 0.00 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 1pr5 n MET 180 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1pr5 n GLU 181 N -0.41 0.60 -0.17 0.03 0.00 -1.26 -2.08 120.64 117.35 1pr5 n GLU 181 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.16 1pr5 n GLU 181 Cb 0.75 -0.05 -0.01 0.00 0.00 0.00 0.00 31.44 32.13 1pr5 n GLU 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pr5 h ALA 182 N 0.00 -0.13 -0.04 -1.84 0.00 -1.95 0.36 119.26 115.66 1pr5 h ALA 182 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pr5 h ALA 182 Cb 0.00 0.78 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1pr5 h ALA 182 CO 0.00 -0.72 0.03 0.00 0.00 0.00 0.00 179.25 178.57 1pr5 h ALA 183 N 0.86 1.74 0.11 0.00 0.00 -1.84 -1.05 119.26 119.06 1pr5 h ALA 183 Ca 0.20 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.83 1pr5 h ALA 183 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1pr5 h ALA 183 CO -0.63 -0.05 -1.33 0.78 0.00 0.00 0.00 179.25 178.02 1pr5 h GLY 184 N 0.00 0.26 1.33 0.00 0.00 -1.35 -2.82 103.07 100.50 1pr5 h GLY 184 Ca 0.02 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.53 1pr5 h GLY 184 CO -0.00 0.59 -0.40 -2.22 0.00 0.00 0.00 176.54 174.51 1pr5 h ILE 185 N 0.06 1.29 -0.38 2.60 2.04 -0.19 -1.57 117.51 121.37 1pr5 h ILE 185 Ca -0.16 -1.57 -0.12 0.00 1.00 0.00 0.00 64.86 64.00 1pr5 h ILE 185 Cb 1.97 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 1pr5 h ILE 185 CO 0.18 0.51 -0.24 1.88 0.00 0.00 0.00 178.15 180.48 1pr5 h TYR 186 N 0.60 0.97 -0.81 1.37 0.99 -1.33 0.99 116.97 119.76 1pr5 h TYR 186 Ca 0.05 -0.26 -0.03 0.00 2.00 0.00 0.00 58.73 60.49 1pr5 h TYR 186 Cb 0.94 -0.22 -0.04 0.00 1.00 0.00 0.00 36.73 38.42 1pr5 h TYR 186 CO 0.05 1.03 0.37 0.78 -0.00 0.00 0.00 178.16 180.40 1pr5 h GLY 187 N 0.64 1.26 0.80 3.88 0.00 -1.37 -0.93 103.07 107.34 1pr5 h GLY 187 Ca 0.08 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 1pr5 h GLY 187 CO 0.07 0.60 -0.20 -2.08 0.00 0.00 0.00 176.54 174.93 1pr5 h VAL 188 N 1.16 1.34 -0.36 4.60 2.07 -1.13 -0.38 116.25 123.55 1pr5 h VAL 188 Ca 0.28 -1.38 0.08 0.00 0.82 0.00 0.00 66.70 66.50 1pr5 h VAL 188 Cb 0.14 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.65 1pr5 h VAL 188 CO -0.03 0.41 -0.19 0.00 0.02 0.00 0.00 177.57 177.78 1pr5 h ALA 189 N 0.62 0.07 -0.43 1.67 0.00 -0.46 -0.34 119.26 120.39 1pr5 h ALA 189 Ca 0.03 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1pr5 h ALA 189 Cb 0.75 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1pr5 h ALA 189 CO 0.05 -0.57 0.10 0.00 0.00 0.00 0.00 179.25 178.83 1pr5 h ALA 190 N 1.10 0.57 -0.03 0.00 0.00 -1.12 0.16 119.26 119.95 1pr5 h ALA 190 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1pr5 h ALA 190 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pr5 h ALA 190 CO -0.45 0.26 -0.21 1.49 0.00 0.00 0.00 179.25 180.35 1pr5 h GLU 191 N 0.57 0.04 -0.28 0.00 4.81 -0.47 -3.07 114.58 116.18 1pr5 h GLU 191 Ca 0.14 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1pr5 h GLU 191 Cb 0.32 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1pr5 h GLU 191 CO 0.00 0.25 0.00 1.19 -0.73 0.00 0.00 179.01 179.72 1pr5 n PHE 192 N -4.28 0.44 -2.96 0.92 3.01 -0.19 -5.04 117.46 109.37 1pr5 n PHE 192 Ca -0.02 -0.56 -0.00 0.00 1.01 0.00 0.00 57.45 57.88 1pr5 n PHE 192 Cb 0.28 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1pr5 n PHE 192 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1pr5 n GLY 193 N 0.20 -1.19 3.40 1.37 0.00 -0.01 -4.94 105.19 104.02 1pr5 n GLY 193 Ca 0.11 0.46 -0.10 0.00 0.00 0.00 0.00 46.02 46.48 1pr5 n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pr5 s ALA 194 N -2.98 0.43 -0.03 4.61 0.00 0.34 -5.02 121.76 119.10 1pr5 s ALA 194 Ca 0.01 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.75 1pr5 s ALA 194 Cb -0.00 1.21 -0.03 0.00 0.00 0.00 0.00 23.12 24.30 1pr5 s ALA 194 CO 0.71 -0.72 -0.16 0.15 0.00 0.00 0.00 175.76 175.73 1pr5 s LYS 195 N -4.08 2.41 0.09 0.00 1.02 -0.49 -4.33 119.74 114.35 1pr5 s LYS 195 Ca 0.30 -0.76 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 1pr5 s LYS 195 Cb 0.03 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1pr5 s LYS 195 CO 0.10 0.61 0.24 0.00 -0.92 0.00 0.00 175.35 175.38 1pr5 s ALA 196 N -0.75 -0.42 -0.03 5.17 0.00 -1.26 -0.79 121.76 123.67 1pr5 s ALA 196 Ca 0.12 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 1pr5 s ALA 196 Cb -0.11 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.52 1pr5 s ALA 196 CO 0.01 -0.51 0.20 -1.17 0.00 0.00 0.00 175.76 174.29 1pr5 s LEU 197 N -2.70 1.26 -0.16 0.00 2.96 0.09 -2.05 118.68 118.08 1pr5 s LEU 197 Ca 0.03 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1pr5 s LEU 197 Cb 0.03 0.83 0.02 0.00 0.50 0.00 0.00 46.19 47.57 1pr5 s LEU 197 CO -0.10 -0.28 -0.19 -0.89 -1.32 0.00 0.00 176.35 173.57 1pr5 s THR 198 N -0.84 1.95 -0.07 3.68 2.01 -1.26 -0.23 115.64 120.87 1pr5 s THR 198 Ca -0.09 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.06 1pr5 s THR 198 Cb -0.05 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1pr5 s THR 198 CO 0.02 0.52 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.67 1pr5 s ILE 199 N 1.19 2.77 0.05 1.82 1.01 0.39 -1.45 121.20 126.97 1pr5 s ILE 199 Ca 0.01 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1pr5 s ILE 199 Cb -0.14 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1pr5 s ILE 199 CO -0.09 0.57 -0.05 0.00 0.00 0.00 0.00 174.94 175.37 1pr5 s THR 201 N -2.43 2.89 -0.26 0.00 2.01 -0.45 -0.26 115.64 117.13 1pr5 s THR 201 Ca -0.04 -0.69 -0.28 0.00 0.31 0.00 0.00 61.69 60.99 1pr5 s THR 201 Cb -0.03 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 1pr5 s THR 201 CO -0.04 0.50 2.14 -0.69 -0.69 0.00 0.00 174.62 175.84 1pr5 s VAL 202 N 0.86 3.11 -0.61 3.82 1.01 -0.34 -1.98 120.40 126.27 1pr5 s VAL 202 Ca -0.04 0.11 0.23 0.00 0.00 0.00 0.00 61.98 62.28 1pr5 s VAL 202 Cb -0.15 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.99 1pr5 s VAL 202 CO -0.00 -0.10 1.07 -1.54 0.00 0.00 0.00 175.10 174.52 1pr5 n SER 203 N 11.64 0.62 -3.73 3.32 3.41 0.64 0.86 113.62 130.38 1pr5 n SER 203 Ca 0.29 -0.16 -0.04 0.00 -0.26 0.00 0.00 58.87 58.70 1pr5 n SER 203 Cb 0.46 0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 65.11 1pr5 n SER 203 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1pr5 s ASP 204 N -3.97 -0.17 -0.18 4.04 -4.77 -1.20 -2.18 116.67 108.24 1pr5 s ASP 204 Ca 0.04 -0.46 0.01 0.00 -3.30 0.00 0.00 52.55 48.84 1pr5 s ASP 204 Cb 0.14 0.52 0.03 0.00 -1.09 0.00 0.00 42.92 42.52 1pr5 s ASP 204 CO 0.79 -0.97 -0.14 -2.28 0.70 0.00 0.00 175.17 173.26 1pr5 s HIS 205 N -3.28 2.52 0.53 2.11 2.46 0.95 -0.79 115.29 119.79 1pr5 s HIS 205 Ca 0.13 -1.55 0.30 0.00 0.47 0.00 0.00 55.06 54.40 1pr5 s HIS 205 Cb -0.02 -1.73 1.45 0.00 -0.13 0.00 0.00 32.58 32.15 1pr5 s HIS 205 CO 0.03 -0.75 1.92 0.82 -2.47 0.00 0.00 174.74 174.29 1pr5 h ILE 206 N 6.18 0.61 -0.01 0.89 1.08 -1.36 0.24 117.51 125.14 1pr5 h ILE 206 Ca -0.36 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1pr5 h ILE 206 Cb 1.12 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1pr5 h ILE 206 CO 0.54 0.00 -0.57 0.54 -0.69 0.00 0.00 178.15 177.97 1pr5 n ARG 207 N -4.30 0.50 0.00 2.37 3.00 -1.26 -4.99 116.66 111.97 1pr5 n ARG 207 Ca 0.16 -0.36 0.00 0.00 -0.01 0.00 0.00 57.85 57.64 1pr5 n ARG 207 Cb 0.86 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.83 1pr5 n ARG 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1pr5 n THR 208 N -0.93 0.00 -2.98 0.55 -2.24 0.85 -5.19 114.28 104.34 1pr5 n THR 208 Ca 0.08 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.67 1pr5 n THR 208 Cb 0.37 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1pr5 n THR 208 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1pr5 s HIS 209 N 2.65 2.09 0.32 4.78 -3.43 -1.25 -4.73 115.29 115.72 1pr5 s HIS 209 Ca 0.00 -0.52 0.06 0.00 -0.80 0.00 0.00 55.06 53.80 1pr5 s HIS 209 Cb 0.00 -2.36 -0.03 0.00 -1.43 0.00 0.00 32.58 28.76 1pr5 s HIS 209 CO 0.00 -0.86 0.27 -1.83 -2.00 0.00 0.00 174.74 170.32 1pr5 s GLU 210 N -4.57 1.72 0.00 -0.38 -1.05 -1.26 -0.04 118.70 113.13 1pr5 s GLU 210 Ca 0.59 -1.98 0.00 0.00 -0.15 0.00 0.00 54.97 53.43 1pr5 s GLU 210 Cb -0.08 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1pr5 s GLU 210 CO 0.37 -0.64 0.00 1.04 0.95 0.00 0.00 175.26 176.98 1pr5 n GLN 211 N -0.60 2.04 -4.42 -4.83 6.02 -0.93 -4.99 117.38 109.69 1pr5 n GLN 211 Ca 0.07 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.79 1pr5 n GLN 211 Cb 0.63 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.77 1pr5 n GLN 211 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1pr5 s THR 212 N 0.87 2.40 0.25 5.09 -4.23 -1.26 -5.03 115.64 113.73 1pr5 s THR 212 Ca 0.00 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1pr5 s THR 212 Cb 0.00 -2.16 0.22 0.00 1.34 0.00 0.00 72.50 71.90 1pr5 s THR 212 CO 0.00 -0.13 1.76 0.74 -0.54 0.00 0.00 174.62 176.46 1pr5 h THR 213 N 3.14 0.76 0.23 3.99 2.02 -2.01 0.42 112.91 121.45 1pr5 h THR 213 Ca -0.46 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1pr5 h THR 213 Cb 1.21 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1pr5 h THR 213 CO 0.49 0.11 -0.29 0.00 0.37 0.00 0.00 175.52 176.19 1pr5 h ALA 214 N 1.52 -0.57 -0.63 6.16 0.00 -1.99 -0.18 119.26 123.56 1pr5 h ALA 214 Ca 0.42 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.37 1pr5 h ALA 214 Cb 0.55 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1pr5 h ALA 214 CO -0.34 -0.86 0.43 0.00 0.00 0.00 0.00 179.25 178.48 1pr5 h ALA 215 N 0.05 2.07 0.00 0.00 0.00 -1.71 -1.56 119.26 118.11 1pr5 h ALA 215 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1pr5 h ALA 215 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pr5 h ALA 215 CO -0.10 -0.22 -0.49 0.93 0.00 0.00 0.00 179.25 179.36 1pr5 h GLU 216 N 0.39 0.00 -0.04 0.00 5.08 0.74 -1.97 114.58 118.78 1pr5 h GLU 216 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1pr5 h GLU 216 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1pr5 h GLU 216 CO -0.08 0.49 0.00 2.89 -1.00 0.00 0.00 179.01 181.31 1pr5 n ARG 217 N -3.73 2.33 0.00 2.33 1.85 -0.39 -4.80 116.66 114.25 1pr5 n ARG 217 Ca -0.01 -1.93 0.00 0.00 -1.00 0.00 0.00 57.85 54.92 1pr5 n ARG 217 Cb 0.55 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 1pr5 n ARG 217 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pr5 n GLN 218 N 1.34 0.00 -0.63 2.89 10.64 -0.98 -4.47 117.38 126.17 1pr5 n GLN 218 Ca 0.14 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 55.01 1pr5 n GLN 218 Cb 0.60 -0.07 0.19 0.00 -0.86 0.00 0.00 30.24 30.10 1pr5 n GLN 218 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1pr5 n THR 219 N -2.30 0.00 0.00 -0.39 -2.24 -0.74 -4.75 114.28 103.86 1pr5 n THR 219 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1pr5 n THR 219 Cb 0.00 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1pr5 n THR 219 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1pr5 n THR 220 N -4.41 0.00 -0.78 4.28 5.66 -1.26 -4.28 114.28 113.49 1pr5 n THR 220 Ca 0.10 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.07 1pr5 n THR 220 Cb 0.53 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.30 1pr5 n THR 220 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1pr5 n PHE 221 N 0.00 -0.53 -0.08 1.09 3.01 -1.26 -4.47 117.46 115.22 1pr5 n PHE 221 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 1pr5 n PHE 221 Cb 0.00 -1.20 -0.15 0.00 -0.01 0.00 0.00 39.48 38.11 1pr5 n PHE 221 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pr5 n ASN 222 N 1.19 0.39 0.09 4.37 4.13 -1.26 -3.86 115.26 120.31 1pr5 n ASN 222 Ca -0.02 0.11 -0.12 0.00 1.68 0.00 0.00 54.58 56.22 1pr5 n ASN 222 Cb 0.11 0.59 -0.06 0.00 -1.54 0.00 0.00 39.78 38.89 1pr5 n ASN 222 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1pr5 h ASP 223 N 0.00 -0.33 -0.30 6.41 3.32 -1.95 0.25 116.42 123.82 1pr5 h ASP 223 Ca -0.48 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 1pr5 h ASP 223 Cb 2.16 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.82 1pr5 h ASP 223 CO 0.04 -0.19 0.03 0.00 -1.72 0.00 0.00 179.24 177.40 1pr5 h MET 224 N -0.26 0.61 -0.18 3.56 -0.00 -1.94 0.42 114.93 117.14 1pr5 h MET 224 Ca 0.01 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.70 59.56 1pr5 h MET 224 Cb 0.26 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 1pr5 h MET 224 CO -0.06 0.61 -0.00 0.82 -0.00 0.00 0.00 176.91 178.28 1pr5 h ILE 225 N 0.58 1.26 -0.39 -0.10 2.04 -1.55 0.40 117.51 119.74 1pr5 h ILE 225 Ca 0.13 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1pr5 h ILE 225 Cb 0.33 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1pr5 h ILE 225 CO 0.01 0.26 0.26 0.11 0.00 0.00 0.00 178.15 178.78 1pr5 h LYS 226 N 0.06 0.52 -0.08 2.37 1.57 -0.19 -0.17 116.57 120.65 1pr5 h LYS 226 Ca 0.05 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1pr5 h LYS 226 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1pr5 h LYS 226 CO 0.01 0.35 -0.04 0.82 -0.57 0.00 0.00 179.45 180.02 1pr5 h ILE 227 N 0.53 0.87 0.28 1.86 2.04 -0.77 -0.10 117.51 122.22 1pr5 h ILE 227 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.01 1pr5 h ILE 227 Cb -0.05 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1pr5 h ILE 227 CO -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.77 1pr5 h ALA 228 N 1.04 -0.70 -0.39 1.87 0.00 0.17 -0.53 119.26 120.72 1pr5 h ALA 228 Ca 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pr5 h ALA 228 Cb 0.11 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1pr5 h ALA 228 CO -0.10 -0.94 0.21 -0.07 0.00 0.00 0.00 179.25 178.35 1pr5 h LEU 229 N -0.68 0.34 -0.53 0.00 3.38 -0.93 -2.38 115.31 114.51 1pr5 h LEU 229 Ca -0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1pr5 h LEU 229 Cb 0.64 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1pr5 h LEU 229 CO -0.10 0.24 0.15 -0.33 0.09 0.00 0.00 178.44 178.49 1pr5 h GLU 230 N 0.44 0.84 -0.21 1.13 4.39 -0.94 -2.74 114.58 117.49 1pr5 h GLU 230 Ca 0.16 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1pr5 h GLU 230 Cb 0.03 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1pr5 h GLU 230 CO -0.09 0.78 0.14 0.66 -1.16 0.00 0.00 179.01 179.34 1pr5 h SER 231 N 0.74 0.23 -0.05 1.42 4.64 -0.89 -1.24 113.55 118.42 1pr5 h SER 231 Ca 0.17 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1pr5 h SER 231 Cb 0.31 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1pr5 h SER 231 CO -0.00 0.17 0.02 0.58 -0.87 0.00 0.00 176.83 176.72 1pr5 h VAL 232 N 0.27 1.16 -0.82 0.95 2.07 -1.14 -0.68 116.25 118.07 1pr5 h VAL 232 Ca 0.08 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1pr5 h VAL 232 Cb -0.02 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1pr5 h VAL 232 CO -0.02 0.13 0.53 -0.07 0.02 0.00 0.00 177.57 178.17 1pr5 h LEU 233 N -0.11 0.69 -0.54 2.57 4.07 -1.09 0.10 115.31 121.00 1pr5 h LEU 233 Ca 0.02 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1pr5 h LEU 233 Cb 0.20 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1pr5 h LEU 233 CO -0.00 0.41 0.14 -0.07 -1.08 0.00 0.00 178.44 177.84 1pr5 h LEU 234 N 0.77 0.81 -1.85 1.67 3.38 -0.84 -2.36 115.31 116.88 1pr5 h LEU 234 Ca 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1pr5 h LEU 234 Cb 0.45 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1pr5 h LEU 234 CO -0.15 0.82 -0.12 1.23 0.09 0.00 0.00 178.44 180.31 1pr5 h GLY 235 N 0.76 0.00 2.00 0.83 0.00 0.69 -2.23 103.07 105.12 1pr5 h GLY 235 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 1pr5 h GLY 235 CO -0.00 0.00 -0.32 -0.55 0.00 0.00 0.00 176.54 175.67 1pr5 h ASP 236 N 0.00 0.00 -0.01 0.19 3.32 -0.58 -3.51 116.42 115.83 1pr5 h ASP 236 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pr5 h ASP 236 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1pr5 h ASP 236 CO 0.02 0.32 0.00 0.29 -1.72 0.00 0.00 179.24 178.14