#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s72 s GLN 2 N 0.00 3.10 -0.19 2.12 1.03 -1.26 -0.84 119.66 123.62 1s72 s GLN 2 Ca 0.00 -0.62 0.00 0.00 0.04 0.00 0.00 55.36 54.79 1s72 s GLN 2 Cb 0.00 -2.84 0.04 0.00 0.03 0.00 0.00 33.01 30.25 1s72 s GLN 2 CO 0.00 0.57 -0.09 0.00 -2.54 0.00 0.00 175.29 173.23 1s72 s ALA 3 N -1.47 1.85 -0.57 2.60 0.00 0.20 -4.67 121.76 119.70 1s72 s ALA 3 Ca 0.32 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 1s72 s ALA 3 Cb -0.12 -1.23 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1s72 s ALA 3 CO 0.24 -0.81 1.43 0.99 0.00 0.00 0.00 175.76 177.62 1s72 s THR 4 N 1.46 3.76 0.32 0.00 2.01 -1.26 -1.13 115.64 120.80 1s72 s THR 4 Ca -0.01 0.63 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 1s72 s THR 4 Cb -0.16 -4.44 -0.10 0.00 0.01 0.00 0.00 72.50 67.82 1s72 s THR 4 CO -0.08 -1.19 1.15 -0.63 -0.69 0.00 0.00 174.62 173.17 1s72 s ILE 5 N 6.18 3.29 0.09 1.82 1.01 -1.06 -4.37 121.20 128.17 1s72 s ILE 5 Ca 0.52 1.25 0.10 0.00 0.00 0.00 0.00 60.65 62.52 1s72 s ILE 5 Cb -0.11 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1s72 s ILE 5 CO 0.24 0.26 -0.26 -0.31 0.00 0.00 0.00 174.94 174.87 1s72 s TYR 6 N -1.23 2.33 0.58 3.97 1.51 -0.90 -1.20 117.35 122.42 1s72 s TYR 6 Ca 0.48 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 56.18 1s72 s TYR 6 Cb -0.33 -1.33 0.06 0.00 -0.11 0.00 0.00 41.96 40.26 1s72 s TYR 6 CO 0.42 0.24 0.81 0.16 -1.11 0.00 0.00 175.55 176.07 1s72 s ASP 7 N -1.66 5.04 0.00 2.29 -4.77 -1.00 -0.78 116.67 115.79 1s72 s ASP 7 Ca 0.13 -0.27 0.04 0.00 -3.30 0.00 0.00 52.55 49.15 1s72 s ASP 7 Cb -0.10 -0.45 0.23 0.00 -1.09 0.00 0.00 42.92 41.50 1s72 s ASP 7 CO 0.04 -1.32 0.59 0.18 0.70 0.00 0.00 175.17 175.36 1s72 n LEU 8 N -2.40 0.00 -0.00 2.11 4.77 -1.26 -0.35 117.00 119.87 1s72 n LEU 8 Ca 0.11 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.15 1s72 n LEU 8 Cb 0.60 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.61 1s72 n LEU 8 CO 0.43 0.00 -0.08 0.47 -1.33 0.00 0.00 177.39 176.88 1s72 n ASP 9 N -0.80 0.72 0.00 -1.43 8.00 -1.26 -4.76 116.55 117.02 1s72 n ASP 9 Ca 0.03 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1s72 n ASP 9 Cb 0.01 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 1s72 n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s72 n GLY 10 N 1.35 0.77 3.84 0.44 0.00 0.53 -4.91 105.19 107.20 1s72 n GLY 10 Ca 0.02 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1s72 n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s72 s ASN 11 N -2.12 6.51 0.47 1.61 0.01 -1.26 -4.84 114.94 115.32 1s72 s ASN 11 Ca 0.00 0.61 -0.22 0.00 -0.71 0.00 0.00 52.86 52.54 1s72 s ASN 11 Cb 0.00 -2.14 -0.10 0.00 0.41 0.00 0.00 41.25 39.42 1s72 s ASN 11 CO 0.00 0.33 0.77 0.35 -1.51 0.00 0.00 177.10 177.04 1s72 n THR 12 N 2.21 2.36 -2.94 1.60 -2.24 -1.26 -2.38 114.28 111.64 1s72 n THR 12 Ca -0.17 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 60.98 1s72 n THR 12 Cb 0.54 -0.87 0.03 0.00 -2.10 0.00 0.00 70.33 67.93 1s72 n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1s72 n ASP 13 N 0.59 -0.95 0.00 3.42 -0.08 -0.34 -4.81 116.55 114.38 1s72 n ASP 13 Ca 0.11 -3.38 0.00 0.00 -1.51 0.00 0.00 54.79 50.01 1s72 n ASP 13 Cb 0.42 0.79 0.00 0.00 2.34 0.00 0.00 41.12 44.66 1s72 n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1s72 n GLY 14 N 0.38 -1.79 3.56 0.27 0.00 -1.26 -4.70 105.19 101.64 1s72 n GLY 14 Ca 0.15 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1s72 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s72 s GLU 15 N 0.00 0.75 0.38 1.61 -1.05 -1.26 -2.55 118.70 116.58 1s72 s GLU 15 Ca 0.00 0.16 0.08 0.00 -0.15 0.00 0.00 54.97 55.06 1s72 s GLU 15 Cb 0.00 0.36 -0.07 0.00 -0.44 0.00 0.00 34.13 33.98 1s72 s GLU 15 CO 0.00 -0.24 0.02 0.08 0.95 0.00 0.00 175.26 176.07 1s72 s VAL 16 N -1.21 2.23 -0.06 1.83 1.01 -0.28 -4.89 120.40 119.03 1s72 s VAL 16 Ca -0.05 -1.99 -0.29 0.00 0.00 0.00 0.00 61.98 59.66 1s72 s VAL 16 Cb -0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1s72 s VAL 16 CO 0.04 -0.08 0.95 -1.81 0.00 0.00 0.00 175.10 174.20 1s72 s ASP 17 N -3.72 7.26 -0.19 3.32 1.01 -1.26 0.62 116.67 123.71 1s72 s ASP 17 Ca 0.35 1.53 -0.29 0.00 0.71 0.00 0.00 52.55 54.86 1s72 s ASP 17 Cb 0.05 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1s72 s ASP 17 CO 0.19 -0.32 1.53 -0.22 0.21 0.00 0.00 175.17 176.55 1s72 s LEU 18 N 1.43 4.02 0.80 1.23 2.96 -0.02 -4.84 118.68 124.27 1s72 s LEU 18 Ca 0.48 1.70 -0.15 0.00 -0.22 0.00 0.00 54.13 55.95 1s72 s LEU 18 Cb -0.19 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1s72 s LEU 18 CO 0.22 -1.09 0.53 -0.81 -1.32 0.00 0.00 176.35 173.89 1s72 n PRO 19 N 7.35 0.11 -0.24 0.98 -0.04 -1.26 -4.13 135.00 137.77 1s72 n PRO 19 Ca 0.17 0.09 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 1s72 n PRO 19 Cb 0.45 -1.88 0.15 0.00 -0.04 0.00 0.00 33.50 32.18 1s72 n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1s72 h ASP 20 N -0.78 0.27 -1.25 3.54 3.32 -1.92 -2.69 116.42 116.91 1s72 h ASP 20 Ca -0.45 0.09 0.36 0.00 0.02 0.00 0.00 57.03 57.05 1s72 h ASP 20 Cb 1.32 0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.88 1s72 h ASP 20 CO 0.40 0.13 0.87 -0.37 -1.72 0.00 0.00 179.24 178.55 1s72 h VAL 21 N 0.44 0.37 0.00 -1.35 -1.51 -1.91 0.73 116.25 113.02 1s72 h VAL 21 Ca 0.37 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.81 1s72 h VAL 21 Cb 0.51 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 1s72 h VAL 21 CO -0.36 0.02 0.00 0.49 -1.23 0.00 0.00 177.57 176.49 1s72 n PHE 22 N -4.28 0.00 0.47 5.19 3.01 -1.01 -0.49 117.46 120.35 1s72 n PHE 22 Ca 0.28 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.80 1s72 n PHE 22 Cb 1.27 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.74 1s72 n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1s72 n GLU 23 N -0.83 1.78 -1.68 -1.08 1.02 0.25 -4.61 120.64 115.50 1s72 n GLU 23 Ca 0.07 -0.72 -0.47 0.00 -0.02 0.00 0.00 57.16 56.02 1s72 n GLU 23 Cb 0.03 -1.12 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 1s72 n GLU 23 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1s72 n THR 24 N -0.09 0.32 -1.67 2.62 -1.04 0.36 -4.84 114.28 109.94 1s72 n THR 24 Ca 0.05 -0.06 -0.47 0.00 -2.04 0.00 0.00 64.05 61.54 1s72 n THR 24 Cb 0.23 -1.75 -0.04 0.00 -1.82 0.00 0.00 70.33 66.95 1s72 n THR 24 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1s72 n PRO 25 N 5.20 2.17 -1.75 -2.82 -0.04 -1.26 -4.71 135.00 131.79 1s72 n PRO 25 Ca 0.20 0.79 -0.43 0.00 -0.04 0.00 0.00 63.50 64.02 1s72 n PRO 25 Cb 0.30 -2.58 -0.03 0.00 -0.04 0.00 0.00 33.50 31.15 1s72 n PRO 25 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s72 s VAL 26 N 1.80 3.17 -0.61 0.52 1.01 -1.26 -4.80 120.40 120.22 1s72 s VAL 26 Ca 0.83 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 1s72 s VAL 26 Cb -0.68 -3.17 0.16 0.00 0.00 0.00 0.00 36.38 32.69 1s72 s VAL 26 CO 0.41 -0.07 0.40 -0.60 0.00 0.00 0.00 175.10 175.25 1s72 s ARG 27 N 5.20 2.41 0.59 2.72 6.06 -1.26 -4.95 118.95 129.72 1s72 s ARG 27 Ca 0.89 -2.66 0.37 0.00 -2.50 0.00 0.00 55.73 51.83 1s72 s ARG 27 Cb -0.35 -3.59 1.72 0.00 0.06 0.00 0.00 34.95 32.78 1s72 s ARG 27 CO 0.36 -1.16 2.12 0.66 -2.50 0.00 0.00 175.30 174.78 1s72 h SER 28 N 6.69 0.00 0.08 -2.12 4.64 -1.94 -1.54 113.55 119.37 1s72 h SER 28 Ca -0.02 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.06 1s72 h SER 28 Cb 0.91 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1s72 h SER 28 CO 0.71 0.01 -0.95 -2.24 -0.87 0.00 0.00 176.83 173.49 1s72 h ASP 29 N 0.00 0.79 0.24 4.97 2.03 -1.94 -1.62 116.42 120.89 1s72 h ASP 29 Ca -0.00 -0.61 -0.18 0.00 -0.73 0.00 0.00 57.03 55.51 1s72 h ASP 29 Cb 0.34 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1s72 h ASP 29 CO 0.00 1.40 -0.70 -0.07 -1.03 0.00 0.00 179.24 178.84 1s72 h LEU 30 N 0.37 0.48 -0.40 0.15 3.38 -1.86 -2.25 115.31 115.18 1s72 h LEU 30 Ca -0.10 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 1s72 h LEU 30 Cb 1.59 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 1s72 h LEU 30 CO 0.18 1.04 0.05 0.40 0.09 0.00 0.00 178.44 180.20 1s72 h ILE 31 N 0.29 1.25 -0.41 1.22 2.04 -1.30 -1.87 117.51 118.72 1s72 h ILE 31 Ca -0.03 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 64.91 1s72 h ILE 31 Cb 1.27 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1s72 h ILE 31 CO 0.12 0.31 0.18 1.23 0.00 0.00 0.00 178.15 180.00 1s72 h GLY 32 N 0.52 0.61 1.44 5.37 0.00 -1.19 -1.92 103.07 107.90 1s72 h GLY 32 Ca 0.12 -0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 1s72 h GLY 32 CO 0.01 0.26 -0.51 1.70 0.00 0.00 0.00 176.54 178.00 1s72 h LYS 33 N 0.57 0.59 -0.45 4.80 3.64 -1.02 -1.64 116.57 123.06 1s72 h LYS 33 Ca 0.14 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 59.04 1s72 h LYS 33 Cb 0.08 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1s72 h LYS 33 CO -0.02 0.96 -0.21 0.00 -2.27 0.00 0.00 179.45 177.91 1s72 h ALA 34 N 0.97 0.77 -0.26 5.00 0.00 -0.74 -2.31 119.26 122.69 1s72 h ALA 34 Ca 0.02 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1s72 h ALA 34 Cb 1.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1s72 h ALA 34 CO 0.10 0.66 -0.50 0.28 0.00 0.00 0.00 179.25 179.79 1s72 h VAL 35 N 0.79 1.29 -0.68 0.00 2.07 -1.32 -2.27 116.25 116.13 1s72 h VAL 35 Ca 0.11 -1.69 0.05 0.00 0.82 0.00 0.00 66.70 65.98 1s72 h VAL 35 Cb 0.77 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 1s72 h VAL 35 CO 0.06 0.55 0.40 -0.09 0.02 0.00 0.00 177.57 178.51 1s72 h ARG 36 N 0.56 0.74 -0.29 1.57 2.43 -1.21 -0.17 114.38 118.00 1s72 h ARG 36 Ca 0.01 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1s72 h ARG 36 Cb 1.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1s72 h ARG 36 CO 0.11 0.49 -0.08 0.00 -1.51 0.00 0.00 179.97 178.98 1s72 h ALA 37 N 1.32 0.40 -0.68 2.80 0.00 -1.36 -0.94 119.26 120.80 1s72 h ALA 37 Ca 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s72 h ALA 37 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1s72 h ALA 37 CO -0.15 0.24 0.43 0.00 0.00 0.00 0.00 179.25 179.77 1s72 h ALA 38 N 0.78 1.48 -0.13 0.00 0.00 -1.04 0.19 119.26 120.55 1s72 h ALA 38 Ca 0.07 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1s72 h ALA 38 Cb 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1s72 h ALA 38 CO 0.03 0.47 -0.74 1.96 0.00 0.00 0.00 179.25 180.96 1s72 h GLN 39 N 0.93 0.63 -0.09 0.00 4.20 -0.84 -3.28 115.11 116.66 1s72 h GLN 39 Ca 0.25 -0.50 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 1s72 h GLN 39 Cb -0.08 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1s72 h GLN 39 CO -0.05 1.12 -0.04 0.00 -0.67 0.00 0.00 178.83 179.19 1s72 h ALA 40 N 0.74 0.12 0.00 3.87 0.00 -0.70 -3.22 119.26 120.06 1s72 h ALA 40 Ca -0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1s72 h ALA 40 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1s72 h ALA 40 CO 0.14 -0.11 0.08 0.09 0.00 0.00 0.00 179.25 179.46 1s72 n ASN 41 N -4.74 0.27 -0.78 0.00 3.02 0.01 -1.11 115.26 111.93 1s72 n ASN 41 Ca -0.07 0.58 0.09 0.00 -0.03 0.00 0.00 54.58 55.15 1s72 n ASN 41 Cb 0.27 -0.60 0.11 0.00 -0.61 0.00 0.00 39.78 38.95 1s72 n ASN 41 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1s72 n ARG 42 N -1.85 1.76 -2.48 3.52 1.85 -1.22 -4.97 116.66 113.27 1s72 n ARG 42 Ca -0.01 -1.74 -0.39 0.00 -1.00 0.00 0.00 57.85 54.72 1s72 n ARG 42 Cb 0.10 -1.36 -0.04 0.00 -1.05 0.00 0.00 32.46 30.11 1s72 n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1s72 s LYS 43 N -1.37 4.39 0.08 2.89 3.01 -0.26 -5.03 119.74 123.44 1s72 s LYS 43 Ca 0.24 1.69 -0.12 0.00 -1.01 0.00 0.00 55.97 56.77 1s72 s LYS 43 Cb 0.16 -2.87 -0.06 0.00 -1.01 0.00 0.00 37.83 34.04 1s72 s LYS 43 CO 0.23 0.01 0.44 -0.65 0.51 0.00 0.00 175.35 175.89 1s72 s GLN 44 N -1.96 3.85 0.46 1.68 -0.21 -1.26 -5.01 119.66 117.21 1s72 s GLN 44 Ca 0.51 0.30 -0.24 0.00 0.02 0.00 0.00 55.36 55.96 1s72 s GLN 44 Cb -0.28 -3.03 -0.07 0.00 1.00 0.00 0.00 33.01 30.63 1s72 s GLN 44 CO 0.35 0.57 1.22 -0.51 -2.12 0.00 0.00 175.29 174.81 1s72 s ASP 45 N -1.60 6.07 0.35 5.90 -0.00 -1.26 -5.03 116.67 121.11 1s72 s ASP 45 Ca 0.32 2.45 -0.06 0.00 -0.00 0.00 0.00 52.55 55.26 1s72 s ASP 45 Cb -0.15 -2.62 0.01 0.00 -0.00 0.00 0.00 42.92 40.17 1s72 s ASP 45 CO 0.17 -0.99 0.55 -0.72 -0.00 0.00 0.00 175.17 174.18 1s72 s TYR 46 N -1.44 0.79 0.00 4.23 -0.85 -1.26 -5.01 117.35 113.81 1s72 s TYR 46 Ca 0.63 -1.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.04 1s72 s TYR 46 Cb -0.33 0.15 0.00 0.00 0.38 0.00 0.00 41.96 42.17 1s72 s TYR 46 CO 0.40 -1.23 0.00 0.41 -1.52 0.00 0.00 175.55 173.61 1s72 n GLY 47 N -0.55 3.79 3.72 5.49 0.00 -1.26 -1.73 105.19 114.65 1s72 n GLY 47 Ca -0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1s72 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s72 s SER 48 N 0.00 3.66 0.19 1.61 1.04 -1.21 -4.84 113.70 114.14 1s72 s SER 48 Ca 0.00 1.70 -0.32 0.00 0.48 0.00 0.00 55.95 57.81 1s72 s SER 48 Cb 0.00 -2.35 -0.12 0.00 0.10 0.00 0.00 66.02 63.65 1s72 s SER 48 CO 0.00 -2.55 1.74 -0.62 0.98 0.00 0.00 173.24 172.79 1s72 s ASP 49 N -3.28 6.40 0.41 7.02 -1.08 -1.26 -4.88 116.67 120.00 1s72 s ASP 49 Ca 0.63 2.84 0.17 0.00 -0.52 0.00 0.00 52.55 55.67 1s72 s ASP 49 Cb -0.19 -2.59 1.07 0.00 -1.46 0.00 0.00 42.92 39.75 1s72 s ASP 49 CO 0.57 -0.97 1.83 -0.33 0.52 0.00 0.00 175.17 176.78 1s72 h GLU 50 N 7.17 0.41 -0.49 4.34 4.39 -1.98 -1.81 114.58 126.61 1s72 h GLU 50 Ca -0.44 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1s72 h GLU 50 Cb 1.20 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1s72 h GLU 50 CO 0.95 0.27 0.00 0.66 -1.16 0.00 0.00 179.01 179.74 1s72 n TYR 51 N -4.55 0.64 -1.68 4.33 4.02 -1.26 -4.92 117.16 113.74 1s72 n TYR 51 Ca 0.21 -0.33 -0.47 0.00 -0.01 0.00 0.00 57.90 57.30 1s72 n TYR 51 Cb 0.74 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.02 1s72 n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s72 n ALA 52 N 1.48 1.19 0.00 -0.72 0.00 -0.68 -0.72 120.51 121.06 1s72 n ALA 52 Ca 0.20 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1s72 n ALA 52 Cb 0.60 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.58 1s72 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 53 N 4.06 2.30 0.54 0.00 0.00 -1.26 -4.26 105.19 106.56 1s72 n GLY 53 Ca 0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.34 1s72 n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s72 n LEU 54 N 0.00 2.01 -3.67 0.99 4.77 0.10 -3.81 117.00 117.39 1s72 n LEU 54 Ca 0.00 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 54.86 1s72 n LEU 54 Cb 0.00 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1s72 n LEU 54 CO 0.00 0.36 2.72 0.54 -1.33 0.00 0.00 177.39 179.68 1s72 n ARG 55 N 0.13 3.14 -3.56 3.23 1.74 -1.24 -4.81 116.66 115.28 1s72 n ARG 55 Ca 0.11 -2.67 -0.14 0.00 -0.77 0.00 0.00 57.85 54.38 1s72 n ARG 55 Cb 0.47 -3.15 -0.06 0.00 -1.02 0.00 0.00 32.46 28.70 1s72 n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1s72 s THR 56 N 2.57 0.00 -1.34 0.55 -1.32 -1.26 -5.02 115.64 109.81 1s72 s THR 56 Ca 0.50 0.00 0.19 0.00 -1.21 0.00 0.00 61.69 61.17 1s72 s THR 56 Cb 0.14 -1.00 0.71 0.00 -1.51 0.00 0.00 72.50 70.84 1s72 s THR 56 CO -0.07 0.00 1.61 -0.81 -2.21 0.00 0.00 174.62 173.14 1s72 n PRO 57 N 0.94 3.51 -1.37 7.08 -0.04 -1.26 -5.00 135.00 138.85 1s72 n PRO 57 Ca -0.14 -2.81 -0.47 0.00 -0.04 0.00 0.00 63.50 60.04 1s72 n PRO 57 Cb 0.57 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.17 1s72 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1s72 n ALA 58 N 1.26 -2.84 -2.36 0.55 0.00 -1.26 -4.98 120.51 110.88 1s72 n ALA 58 Ca 0.26 0.43 -0.11 0.00 0.00 0.00 0.00 53.44 54.01 1s72 n ALA 58 Cb 0.83 -1.57 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 1s72 n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s72 s GLU 59 N -0.97 0.75 0.06 0.00 2.02 -0.64 -4.68 118.70 115.24 1s72 s GLU 59 Ca 0.63 -1.18 -0.17 0.00 0.02 0.00 0.00 54.97 54.27 1s72 s GLU 59 Cb -0.91 -0.23 -0.06 0.00 0.10 0.00 0.00 34.13 33.02 1s72 s GLU 59 CO 0.55 0.00 0.51 0.45 0.02 0.00 0.00 175.26 176.79 1s72 s SER 60 N -2.64 6.95 0.35 -0.19 0.15 -1.26 0.31 113.70 117.37 1s72 s SER 60 Ca 0.06 1.14 0.25 0.00 0.70 0.00 0.00 55.95 58.09 1s72 s SER 60 Cb 0.01 -2.31 0.61 0.00 -1.71 0.00 0.00 66.02 62.62 1s72 s SER 60 CO -0.03 0.27 1.70 -0.26 1.20 0.00 0.00 173.24 176.12 1s72 h PHE 61 N 4.46 0.00 -0.05 3.44 -1.00 -1.91 -3.48 116.94 118.40 1s72 h PHE 61 Ca -0.50 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.28 1s72 h PHE 61 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1s72 h PHE 61 CO 0.69 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.80 1s72 n GLY 62 N 1.06 -1.30 3.78 -1.45 0.00 -1.26 -4.88 105.19 101.13 1s72 n GLY 62 Ca 0.04 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.49 1s72 n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s72 s SER 63 N -4.00 4.37 0.00 1.61 0.01 -1.26 -4.59 113.70 109.84 1s72 s SER 63 Ca 0.00 1.46 0.00 0.00 1.31 0.00 0.00 55.95 58.72 1s72 s SER 63 Cb 0.00 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1s72 s SER 63 CO 0.00 -2.07 0.00 0.61 0.41 0.00 0.00 173.24 172.19 1s72 n GLY 64 N -1.72 0.88 0.53 3.44 0.00 -1.26 -4.97 105.19 102.08 1s72 n GLY 64 Ca 0.07 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.02 1s72 n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1s72 n ARG 65 N 0.00 2.00 -2.58 1.61 1.85 -1.26 -4.96 116.66 113.32 1s72 n ARG 65 Ca 0.00 -2.79 -0.18 0.00 -1.00 0.00 0.00 57.85 53.88 1s72 n ARG 65 Cb 0.00 -1.67 0.01 0.00 -1.05 0.00 0.00 32.46 29.74 1s72 n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1s72 n GLY 66 N -1.02 -0.36 3.31 2.89 0.00 -1.26 -5.00 105.19 103.74 1s72 n GLY 66 Ca 0.20 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1s72 n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s72 s GLN 67 N -5.17 1.31 0.54 1.61 0.74 -1.26 -5.12 119.66 112.31 1s72 s GLN 67 Ca 0.11 -1.16 -0.20 0.00 0.05 0.00 0.00 55.36 54.16 1s72 s GLN 67 Cb -0.05 -1.59 -0.05 0.00 1.10 0.00 0.00 33.01 32.41 1s72 s GLN 67 CO 0.14 0.38 1.19 0.00 -0.55 0.00 0.00 175.29 176.45 1s72 s ALA 68 N -1.03 2.73 -1.12 1.58 0.00 -1.26 -4.85 121.76 117.82 1s72 s ALA 68 Ca 0.09 0.98 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 1s72 s ALA 68 Cb -0.10 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 1s72 s ALA 68 CO 0.04 -0.94 1.93 0.72 0.00 0.00 0.00 175.76 177.51 1s72 n HIS 69 N -1.14 2.96 -5.20 0.00 -0.00 -1.26 -4.89 115.22 105.69 1s72 n HIS 69 Ca 0.11 -2.06 -0.31 0.00 -0.00 0.00 0.00 57.72 55.46 1s72 n HIS 69 Cb 0.49 -2.33 -0.17 0.00 -0.00 0.00 0.00 29.99 27.98 1s72 n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1s72 s VAL 70 N 6.72 2.01 0.17 1.59 1.01 -1.26 -4.98 120.40 125.65 1s72 s VAL 70 Ca 0.59 -1.00 -0.34 0.00 0.00 0.00 0.00 61.98 61.23 1s72 s VAL 70 Cb 0.07 -1.73 -0.14 0.00 0.00 0.00 0.00 36.38 34.58 1s72 s VAL 70 CO 0.09 0.55 1.52 -2.65 0.00 0.00 0.00 175.10 174.61 1s72 n PRO 71 N 3.38 2.01 -4.17 2.72 -0.02 -1.26 -4.37 135.00 133.28 1s72 n PRO 71 Ca -0.19 0.72 -0.15 0.00 -2.02 0.00 0.00 63.50 61.86 1s72 n PRO 71 Cb 0.53 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 31.44 1s72 n PRO 71 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1s72 s LYS 72 N 0.63 0.82 -0.05 -0.52 1.02 0.15 -0.95 119.74 120.84 1s72 s LYS 72 Ca 0.78 -1.08 -0.02 0.00 0.02 0.00 0.00 55.97 55.67 1s72 s LYS 72 Cb -0.71 -0.60 0.04 0.00 -0.52 0.00 0.00 37.83 36.04 1s72 s LYS 72 CO 0.41 0.11 0.12 -1.17 -0.92 0.00 0.00 175.35 173.89 1s72 s LEU 73 N -2.19 0.77 -1.47 3.17 2.96 0.13 -1.62 118.68 120.43 1s72 s LEU 73 Ca 0.02 0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 54.08 1s72 s LEU 73 Cb -0.05 0.25 0.06 0.00 0.50 0.00 0.00 46.19 46.94 1s72 s LEU 73 CO 0.01 -0.15 0.85 0.47 -1.32 0.00 0.00 176.35 176.21 1s72 n ASP 74 N 4.25 -3.32 -2.12 3.68 8.00 -1.26 -0.94 116.55 124.84 1s72 n ASP 74 Ca -0.26 -0.82 -0.20 0.00 0.71 0.00 0.00 54.79 54.22 1s72 n ASP 74 Cb 0.51 -3.80 -0.04 0.00 -0.02 0.00 0.00 41.12 37.78 1s72 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s72 n GLY 75 N -1.67 0.32 3.03 0.44 0.00 -1.26 -4.97 105.19 101.08 1s72 n GLY 75 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1s72 n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s72 s ARG 76 N -4.57 1.68 0.42 1.61 3.52 -0.12 -5.11 118.95 116.38 1s72 s ARG 76 Ca 0.00 -0.42 -0.25 0.00 -0.13 0.00 0.00 55.73 54.94 1s72 s ARG 76 Cb 0.00 -1.39 -0.08 0.00 -1.56 0.00 0.00 34.95 31.92 1s72 s ARG 76 CO 0.00 0.04 1.22 0.00 -0.81 0.00 0.00 175.30 175.75 1s72 s ALA 77 N 0.63 3.12 0.28 6.12 0.00 -1.26 0.21 121.76 130.85 1s72 s ALA 77 Ca -0.14 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 1s72 s ALA 77 Cb -0.15 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.55 1s72 s ALA 77 CO 0.04 -0.69 0.54 1.03 0.00 0.00 0.00 175.76 176.68 1s72 s ARG 78 N -2.40 1.69 0.00 0.00 0.52 -0.13 -4.76 118.95 113.88 1s72 s ARG 78 Ca 0.59 -1.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.51 1s72 s ARG 78 Cb -0.33 0.50 0.00 0.00 0.52 0.00 0.00 34.95 35.64 1s72 s ARG 78 CO 0.41 -0.73 0.00 -2.13 0.02 0.00 0.00 175.30 172.88 1s72 n ARG 79 N -0.43 0.00 -1.58 3.54 0.63 -1.25 -4.51 116.66 113.06 1s72 n ARG 79 Ca -0.02 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.51 1s72 n ARG 79 Cb 0.61 0.00 0.03 0.00 0.45 0.00 0.00 32.46 33.55 1s72 n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1s72 n VAL 80 N 0.00 2.88 0.08 5.15 0.24 -1.26 0.31 118.33 125.73 1s72 n VAL 80 Ca 0.00 -0.50 0.17 0.00 -2.04 0.00 0.00 64.34 61.97 1s72 n VAL 80 Cb 0.00 -1.05 0.68 0.00 -1.47 0.00 0.00 33.84 32.00 1s72 n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1s72 h PRO 81 N 0.87 0.00 -0.00 7.34 0.11 -1.90 -1.08 132.00 137.34 1s72 h PRO 81 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s72 h PRO 81 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1s72 h PRO 81 CO 0.52 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.24 1s72 n GLN 82 N -4.40 0.72 -3.40 1.05 0.00 -1.26 -4.81 117.38 105.28 1s72 n GLN 82 Ca 0.06 -0.19 -0.38 0.00 0.00 0.00 0.00 57.00 56.49 1s72 n GLN 82 Cb 0.45 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.14 1s72 n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1s72 s ALA 83 N -2.41 3.62 0.20 2.61 0.00 -0.41 -5.02 121.76 120.35 1s72 s ALA 83 Ca 0.32 -0.14 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 1s72 s ALA 83 Cb 0.20 -2.51 -0.11 0.00 0.00 0.00 0.00 23.12 20.70 1s72 s ALA 83 CO 0.45 0.34 1.61 0.08 0.00 0.00 0.00 175.76 178.25 1s72 s VAL 84 N -0.68 2.38 0.00 0.00 1.01 -1.26 -0.02 120.40 121.83 1s72 s VAL 84 Ca 0.26 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1s72 s VAL 84 Cb -0.17 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.03 1s72 s VAL 84 CO 0.14 0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.56 1s72 n LYS 85 N 3.66 0.00 -1.78 2.72 4.76 -1.26 -4.75 118.16 121.51 1s72 n LYS 85 Ca 0.13 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.28 1s72 n LYS 85 Cb 0.37 -2.20 0.12 0.00 -1.84 0.00 0.00 35.03 31.49 1s72 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1s72 s GLY 86 N -1.88 1.62 0.93 0.72 0.00 0.97 -4.44 107.32 105.24 1s72 s GLY 86 Ca 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 44.72 43.88 1s72 s GLY 86 CO 0.00 -0.16 1.10 1.09 0.00 0.00 0.00 173.10 175.13 1s72 s ARG 87 N -5.55 0.96 -0.24 2.90 1.70 0.15 -4.71 118.95 114.15 1s72 s ARG 87 Ca 0.65 1.16 -0.19 0.00 -0.47 0.00 0.00 55.73 56.87 1s72 s ARG 87 Cb -0.11 -1.75 -0.02 0.00 -0.57 0.00 0.00 34.95 32.50 1s72 s ARG 87 CO 0.51 -2.54 0.59 0.45 -1.08 0.00 0.00 175.30 173.22 1s72 s SER 88 N -2.98 6.55 0.12 -2.89 0.15 -1.26 -4.09 113.70 109.30 1s72 s SER 88 Ca 0.65 0.67 -0.26 0.00 0.70 0.00 0.00 55.95 57.71 1s72 s SER 88 Cb -0.21 -2.32 -0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1s72 s SER 88 CO 0.59 -0.31 1.64 0.00 1.20 0.00 0.00 173.24 176.35 1s72 h ALA 89 N 7.83 -0.38 -2.45 5.45 0.00 -1.94 -3.36 119.26 124.41 1s72 h ALA 89 Ca -0.29 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.01 1s72 h ALA 89 Cb 1.13 0.42 -0.39 0.00 0.00 0.00 0.00 17.79 18.95 1s72 h ALA 89 CO 0.75 -0.77 -0.89 0.72 0.00 0.00 0.00 179.25 179.06 1s72 n HIS 90 N -5.37 0.29 -2.14 0.00 8.25 -1.26 -5.13 115.22 109.86 1s72 n HIS 90 Ca -0.06 -3.60 -0.26 0.00 -0.26 0.00 0.00 57.72 53.53 1s72 n HIS 90 Cb 0.28 -0.06 0.07 0.00 1.12 0.00 0.00 29.99 31.40 1s72 n HIS 90 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1s72 s PRO 91 N -0.60 2.17 0.63 -0.41 0.04 -1.26 -5.04 135.00 130.53 1s72 s PRO 91 Ca 0.32 -0.17 -0.18 0.00 0.04 0.00 0.00 61.00 61.01 1s72 s PRO 91 Cb 0.05 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1s72 s PRO 91 CO -0.17 -1.30 1.29 -2.14 0.04 0.00 0.00 177.00 174.72 1s72 s PRO 92 N -5.31 2.65 -0.02 0.56 0.02 -1.26 -4.94 135.00 126.69 1s72 s PRO 92 Ca 0.60 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.69 1s72 s PRO 92 Cb -0.11 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.53 1s72 s PRO 92 CO 0.46 -1.52 -0.04 0.15 -0.33 0.00 0.00 177.00 175.71 1s72 s LYS 93 N -3.33 0.59 0.27 5.54 1.02 -1.24 -3.34 119.74 119.25 1s72 s LYS 93 Ca 0.81 -0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.68 1s72 s LYS 93 Cb -0.37 -0.61 0.56 0.00 -0.52 0.00 0.00 37.83 36.88 1s72 s LYS 93 CO 0.40 -0.00 1.75 1.15 -0.92 0.00 0.00 175.35 177.72 1s72 h THR 94 N 5.69 0.68 -0.01 2.17 2.02 -1.66 -2.00 112.91 119.79 1s72 h THR 94 Ca -0.35 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1s72 h THR 94 Cb 1.16 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1s72 h THR 94 CO 0.49 0.10 0.02 -0.33 0.37 0.00 0.00 175.52 176.17 1s72 h GLU 95 N 0.56 0.00 -6.67 6.66 3.07 -1.96 -3.44 114.58 112.81 1s72 h GLU 95 Ca 0.47 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.79 1s72 h GLU 95 Cb 0.72 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 28.70 1s72 h GLU 95 CO -0.39 0.00 0.87 1.17 -1.40 0.00 0.00 179.01 179.26 1s72 n LYS 96 N -3.52 2.54 -2.75 2.33 4.81 -0.75 -4.92 118.16 115.89 1s72 n LYS 96 Ca -0.03 0.91 -0.43 0.00 -0.87 0.00 0.00 58.31 57.90 1s72 n LYS 96 Cb 0.10 -2.69 -0.04 0.00 0.02 0.00 0.00 35.03 32.42 1s72 n LYS 96 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1s72 s ASP 97 N 0.76 6.42 -0.10 3.14 3.68 -1.26 -4.88 116.67 124.43 1s72 s ASP 97 Ca 0.71 -0.09 0.19 0.00 2.13 0.00 0.00 52.55 55.49 1s72 s ASP 97 Cb -0.55 -2.48 0.72 0.00 -1.45 0.00 0.00 42.92 39.16 1s72 s ASP 97 CO 0.41 -1.27 1.62 0.54 0.13 0.00 0.00 175.17 176.61 1s72 n ARG 98 N 7.70 3.63 -3.70 4.34 1.74 -1.26 -4.96 116.66 124.15 1s72 n ARG 98 Ca 0.05 -2.84 -0.24 0.00 -0.77 0.00 0.00 57.85 54.06 1s72 n ARG 98 Cb 0.48 -1.87 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1s72 n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1s72 s SER 99 N -0.90 6.33 -0.09 0.55 1.04 -1.26 -4.47 113.70 114.89 1s72 s SER 99 Ca 0.51 0.28 0.03 0.00 0.48 0.00 0.00 55.95 57.26 1s72 s SER 99 Cb 0.32 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 64.49 1s72 s SER 99 CO 0.26 -0.14 -0.19 -0.76 0.98 0.00 0.00 173.24 173.38 1s72 s LEU 100 N -3.91 1.92 0.64 2.42 1.43 -1.26 -4.98 118.68 114.93 1s72 s LEU 100 Ca 0.37 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1s72 s LEU 100 Cb -0.10 -1.20 0.01 0.00 0.03 0.00 0.00 46.19 44.93 1s72 s LEU 100 CO 0.31 0.11 0.99 -1.81 0.23 0.00 0.00 176.35 176.18 1s72 s ASP 101 N 0.51 5.57 -0.29 2.29 1.11 -1.26 -4.87 116.67 119.72 1s72 s ASP 101 Ca -0.16 0.94 -0.14 0.00 0.18 0.00 0.00 52.55 53.37 1s72 s ASP 101 Cb -0.17 -1.86 0.13 0.00 1.07 0.00 0.00 42.92 42.09 1s72 s ASP 101 CO 0.06 -1.17 0.78 -0.22 1.18 0.00 0.00 175.17 175.80 1s72 s LEU 102 N -5.16 -0.87 0.40 1.23 2.96 -1.26 -5.01 118.68 110.96 1s72 s LEU 102 Ca 0.56 1.27 -0.27 0.00 -0.22 0.00 0.00 54.13 55.47 1s72 s LEU 102 Cb -0.11 2.10 -0.10 0.00 0.50 0.00 0.00 46.19 48.58 1s72 s LEU 102 CO 0.49 -0.19 1.47 0.20 -1.32 0.00 0.00 176.35 177.00 1s72 s ASN 103 N 2.18 6.22 0.24 3.68 -0.87 -1.26 -4.85 114.94 120.29 1s72 s ASN 103 Ca -0.07 3.02 -0.05 0.00 -1.57 0.00 0.00 52.86 54.19 1s72 s ASN 103 Cb -0.07 -2.66 0.38 0.00 -0.02 0.00 0.00 41.25 38.87 1s72 s ASN 103 CO -0.18 -0.95 1.80 0.44 -2.57 0.00 0.00 177.10 175.63 1s72 h ASP 104 N 2.83 0.60 -0.14 -1.22 3.32 -2.00 -0.87 116.42 118.92 1s72 h ASP 104 Ca -0.51 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 1s72 h ASP 104 Cb 1.25 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1s72 h ASP 104 CO 0.63 0.34 0.08 0.11 -1.72 0.00 0.00 179.24 178.68 1s72 h LYS 105 N 0.72 0.20 -0.84 3.56 1.57 -1.99 0.27 116.57 120.06 1s72 h LYS 105 Ca 0.38 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.15 1s72 h LYS 105 Cb 0.38 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1s72 h LYS 105 CO -0.26 0.22 0.56 1.49 -0.57 0.00 0.00 179.45 180.89 1s72 h GLU 106 N 0.13 1.11 -0.05 3.15 4.81 -1.82 0.60 114.58 122.51 1s72 h GLU 106 Ca 0.05 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1s72 h GLU 106 Cb 0.08 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1s72 h GLU 106 CO -0.01 0.73 -0.08 -0.09 -0.73 0.00 0.00 179.01 178.84 1s72 h ARG 107 N 1.14 0.13 -0.75 1.92 2.43 -0.73 -2.26 114.38 116.26 1s72 h ARG 107 Ca 0.31 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1s72 h ARG 107 Cb -0.12 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1s72 h ARG 107 CO -0.07 0.64 0.46 1.96 -1.51 0.00 0.00 179.97 181.45 1s72 h GLN 108 N -0.37 1.01 -0.48 0.20 4.20 -0.22 -0.29 115.11 119.16 1s72 h GLN 108 Ca 0.00 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1s72 h GLN 108 Cb 0.64 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 1s72 h GLN 108 CO 0.02 0.70 0.24 1.25 -0.67 0.00 0.00 178.83 180.37 1s72 h LEU 109 N 1.03 0.62 -1.24 1.46 5.85 -0.87 -1.16 115.31 121.00 1s72 h LEU 109 Ca 0.27 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1s72 h LEU 109 Cb -0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1s72 h LEU 109 CO -0.05 0.56 0.46 0.00 -0.34 0.00 0.00 178.44 179.07 1s72 h ALA 110 N 1.08 1.44 -0.04 1.25 0.00 -0.65 0.12 119.26 122.46 1s72 h ALA 110 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s72 h ALA 110 Cb 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1s72 h ALA 110 CO -0.02 0.50 0.02 0.28 0.00 0.00 0.00 179.25 180.03 1s72 h VAL 111 N 1.00 1.08 -0.87 0.00 2.07 -0.34 0.26 116.25 119.44 1s72 h VAL 111 Ca 0.27 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1s72 h VAL 111 Cb -0.08 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1s72 h VAL 111 CO -0.05 0.06 0.56 0.03 0.02 0.00 0.00 177.57 178.19 1s72 h ARG 112 N -0.03 1.16 -0.66 1.57 3.08 -0.66 -1.08 114.38 117.77 1s72 h ARG 112 Ca 0.01 -0.08 -0.08 0.00 0.07 0.00 0.00 59.98 59.90 1s72 h ARG 112 Cb 0.08 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1s72 h ARG 112 CO -0.00 0.79 0.11 1.03 -1.07 0.00 0.00 179.97 180.82 1s72 h SER 113 N 1.19 1.06 0.57 7.04 0.87 -0.48 -1.66 113.55 122.13 1s72 h SER 113 Ca 0.32 -0.26 -0.10 0.00 -1.23 0.00 0.00 61.79 60.52 1s72 h SER 113 Cb -0.10 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.56 1s72 h SER 113 CO -0.07 1.05 -0.46 0.00 -0.53 0.00 0.00 176.83 176.83 1s72 h ALA 114 N 1.05 1.14 0.09 6.23 0.00 -0.55 -1.76 119.26 125.46 1s72 h ALA 114 Ca 0.20 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1s72 h ALA 114 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s72 h ALA 114 CO 0.01 0.57 -0.04 1.25 0.00 0.00 0.00 179.25 181.04 1s72 h LEU 115 N 0.00 -0.10 -0.69 0.00 5.85 -0.73 -3.05 115.31 116.59 1s72 h LEU 115 Ca -0.00 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1s72 h LEU 115 Cb 0.86 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1s72 h LEU 115 CO 0.06 0.10 0.43 0.00 -0.34 0.00 0.00 178.44 178.69 1s72 h ALA 116 N 0.60 0.91 -0.20 1.25 0.00 -1.07 -0.71 119.26 120.05 1s72 h ALA 116 Ca -0.01 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.94 1s72 h ALA 116 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1s72 h ALA 116 CO 0.02 0.19 0.26 0.00 0.00 0.00 0.00 179.25 179.72 1s72 h ALA 117 N 1.30 1.75 0.00 0.00 0.00 -1.22 0.43 119.26 121.53 1s72 h ALA 117 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1s72 h ALA 117 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1s72 h ALA 117 CO -0.12 -0.37 0.00 1.15 0.00 0.00 0.00 179.25 179.92 1s72 h THR 118 N 0.00 0.00 -0.55 0.00 2.02 -1.04 -3.01 112.91 110.33 1s72 h THR 118 Ca 0.09 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1s72 h THR 118 Cb 0.62 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1s72 h THR 118 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1s72 n ALA 119 N -2.07 3.37 -3.97 6.16 0.00 0.14 -3.04 120.51 121.11 1s72 n ALA 119 Ca 0.00 -1.55 -0.32 0.00 0.00 0.00 0.00 53.44 51.58 1s72 n ALA 119 Cb 0.28 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 1s72 n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s72 s ASP 120 N -0.77 4.73 0.32 0.00 -1.08 -1.14 -4.70 116.67 114.03 1s72 s ASP 120 Ca 0.47 -2.37 0.10 0.00 -0.52 0.00 0.00 52.55 50.23 1s72 s ASP 120 Cb 0.33 -1.66 0.95 0.00 -1.46 0.00 0.00 42.92 41.08 1s72 s ASP 120 CO 0.18 -0.36 1.68 0.00 0.52 0.00 0.00 175.17 177.19 1s72 h ALA 121 N 7.37 1.76 -0.17 3.66 0.00 -1.86 -0.89 119.26 129.13 1s72 h ALA 121 Ca -0.06 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1s72 h ALA 121 Cb 0.99 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1s72 h ALA 121 CO 0.59 -0.47 0.04 -0.44 0.00 0.00 0.00 179.25 178.97 1s72 h ASP 122 N 0.36 0.26 -0.15 0.00 3.32 -1.95 -1.63 116.42 116.64 1s72 h ASP 122 Ca 0.67 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 57.50 1s72 h ASP 122 Cb 1.43 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 1s72 h ASP 122 CO -0.58 0.43 0.05 -0.07 -1.72 0.00 0.00 179.24 177.35 1s72 h LEU 123 N 0.09 0.05 -1.80 1.55 3.38 -1.53 -0.16 115.31 116.89 1s72 h LEU 123 Ca 0.05 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1s72 h LEU 123 Cb 0.27 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1s72 h LEU 123 CO 0.00 0.05 0.27 0.58 0.09 0.00 0.00 178.44 179.43 1s72 h VAL 124 N 0.12 0.93 0.05 1.22 2.07 -1.21 0.95 116.25 120.37 1s72 h VAL 124 Ca 0.07 -0.09 -0.23 0.00 0.82 0.00 0.00 66.70 67.27 1s72 h VAL 124 Cb 0.04 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1s72 h VAL 124 CO -0.07 0.05 -1.03 0.00 0.02 0.00 0.00 177.57 176.53 1s72 h ALA 125 N 1.79 0.31 -0.13 1.67 0.00 -0.46 -3.12 119.26 119.32 1s72 h ALA 125 Ca 0.18 -0.78 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 1s72 h ALA 125 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1s72 h ALA 125 CO -0.03 0.91 -0.52 -0.44 0.00 0.00 0.00 179.25 179.17 1s72 h ASP 126 N 0.13 0.38 0.04 0.00 3.32 0.52 -2.26 116.42 118.56 1s72 h ASP 126 Ca -0.09 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1s72 h ASP 126 Cb 1.71 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 41.15 1s72 h ASP 126 CO 0.17 0.84 -0.02 -0.09 -1.72 0.00 0.00 179.24 178.42 1s72 h ARG 127 N 0.27 0.00 0.00 3.56 2.43 -0.90 -3.46 114.38 116.29 1s72 h ARG 127 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1s72 h ARG 127 Cb 1.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1s72 h ARG 127 CO 0.09 0.02 0.00 0.41 -1.51 0.00 0.00 179.97 178.97 1s72 n GLY 128 N -1.27 1.78 3.68 2.80 0.00 -0.85 -5.12 105.19 106.23 1s72 n GLY 128 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1s72 n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1s72 n HIS 129 N 0.00 1.88 -3.86 1.61 8.25 -1.18 -4.99 115.22 116.92 1s72 n HIS 129 Ca 0.00 0.50 -0.35 0.00 -0.26 0.00 0.00 57.72 57.61 1s72 n HIS 129 Cb 0.00 -2.33 -0.09 0.00 1.12 0.00 0.00 29.99 28.68 1s72 n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1s72 s GLU 130 N -2.27 4.02 -0.17 -0.41 0.41 -1.26 -4.66 118.70 114.36 1s72 s GLU 130 Ca 0.63 -0.31 -0.33 0.00 -0.41 0.00 0.00 54.97 54.55 1s72 s GLU 130 Cb -0.50 -3.33 0.14 0.00 -1.78 0.00 0.00 34.13 28.65 1s72 s GLU 130 CO 0.56 0.20 1.15 -0.59 -0.49 0.00 0.00 175.26 176.10 1s72 s PHE 131 N 0.59 -0.18 -0.57 1.61 -0.12 -1.26 -2.10 117.98 115.95 1s72 s PHE 131 Ca 0.05 0.17 0.07 0.00 -0.05 0.00 0.00 56.93 57.16 1s72 s PHE 131 Cb -0.12 0.51 0.26 0.00 -0.63 0.00 0.00 43.02 43.04 1s72 s PHE 131 CO 0.01 -0.25 0.72 -0.25 -0.05 0.00 0.00 175.22 175.40 1s72 n ASP 132 N 0.07 3.02 -4.05 1.98 8.00 -0.76 -5.05 116.55 119.76 1s72 n ASP 132 Ca -0.02 -3.31 -0.08 0.00 0.71 0.00 0.00 54.79 52.09 1s72 n ASP 132 Cb 0.59 -0.65 -0.10 0.00 -0.02 0.00 0.00 41.12 40.93 1s72 n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1s72 s ARG 133 N -2.33 0.51 -0.18 -1.24 3.52 -1.26 -4.83 118.95 113.14 1s72 s ARG 133 Ca 0.40 -0.98 0.10 0.00 -0.13 0.00 0.00 55.73 55.13 1s72 s ARG 133 Cb 0.18 0.12 -0.18 0.00 -1.56 0.00 0.00 34.95 33.51 1s72 s ARG 133 CO -0.05 -0.07 -0.02 -0.25 -0.81 0.00 0.00 175.30 174.10 1s72 n ASP 134 N 0.73 1.46 -4.87 -2.12 8.00 -1.26 -4.97 116.55 113.52 1s72 n ASP 134 Ca -0.18 -0.04 -0.32 0.00 0.71 0.00 0.00 54.79 54.96 1s72 n ASP 134 Cb 0.58 0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 42.13 1s72 n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1s72 s GLU 135 N -2.40 3.81 -0.28 -1.24 2.02 -1.26 -4.75 118.70 114.61 1s72 s GLU 135 Ca -0.15 0.29 -0.25 0.00 0.02 0.00 0.00 54.97 54.88 1s72 s GLU 135 Cb 0.06 -2.66 0.13 0.00 0.10 0.00 0.00 34.13 31.76 1s72 s GLU 135 CO 0.60 0.32 1.08 0.54 0.02 0.00 0.00 175.26 177.83 1s72 s VAL 136 N -1.80 0.00 1.05 2.63 0.11 -1.26 -4.69 120.40 116.43 1s72 s VAL 136 Ca 0.47 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.39 1s72 s VAL 136 Cb -0.11 -1.00 0.22 0.00 -1.53 0.00 0.00 36.38 33.95 1s72 s VAL 136 CO 0.21 0.00 1.08 -2.16 -3.33 0.00 0.00 175.10 170.90 1s72 s PRO 137 N 0.11 0.04 -0.26 1.54 0.04 -1.17 -4.29 135.00 131.00 1s72 s PRO 137 Ca 0.03 0.55 -0.20 0.00 0.04 0.00 0.00 61.00 61.42 1s72 s PRO 137 Cb -0.05 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 1s72 s PRO 137 CO -0.07 -3.00 0.63 0.08 0.04 0.00 0.00 177.00 174.68 1s72 s VAL 138 N -2.86 4.98 -0.07 -0.36 1.01 -0.90 -4.94 120.40 117.25 1s72 s VAL 138 Ca 0.66 1.10 -0.04 0.00 0.00 0.00 0.00 61.98 63.70 1s72 s VAL 138 Cb -0.20 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1s72 s VAL 138 CO 0.59 0.01 0.10 -0.69 0.00 0.00 0.00 175.10 175.11 1s72 s VAL 139 N 2.51 5.05 0.08 2.92 1.01 -1.26 -0.40 120.40 130.31 1s72 s VAL 139 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.16 1s72 s VAL 139 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1s72 s VAL 139 CO 0.09 0.52 -0.02 -0.69 0.00 0.00 0.00 175.10 175.00 1s72 s VAL 140 N -1.07 0.36 0.47 2.92 1.01 -1.03 -2.12 120.40 120.95 1s72 s VAL 140 Ca 0.18 -1.87 -0.23 0.00 0.00 0.00 0.00 61.98 60.06 1s72 s VAL 140 Cb -0.12 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 1s72 s VAL 140 CO 0.07 -0.85 1.20 -0.94 0.00 0.00 0.00 175.10 174.58 1s72 s SER 141 N -2.99 6.05 0.03 3.32 1.04 0.04 0.06 113.70 121.25 1s72 s SER 141 Ca 0.12 2.39 0.01 0.00 0.48 0.00 0.00 55.95 58.95 1s72 s SER 141 Cb 0.07 -2.61 0.07 0.00 0.10 0.00 0.00 66.02 63.65 1s72 s SER 141 CO -0.06 -1.00 0.93 0.47 0.98 0.00 0.00 173.24 174.55 1s72 n ASP 142 N -0.53 0.03 0.30 7.02 8.00 -1.26 -1.02 116.55 129.10 1s72 n ASP 142 Ca 0.08 0.40 0.20 0.00 0.71 0.00 0.00 54.79 56.17 1s72 n ASP 142 Cb 0.47 -0.40 0.92 0.00 -0.02 0.00 0.00 41.12 42.09 1s72 n ASP 142 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1s72 h ASP 143 N 0.00 0.00 -0.75 -2.24 3.32 -1.97 -2.07 116.42 112.71 1s72 h ASP 143 Ca 0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.17 1s72 h ASP 143 Cb 0.25 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1s72 h ASP 143 CO 0.00 0.00 0.49 0.15 -1.72 0.00 0.00 179.24 178.16 1s72 h PHE 144 N 0.00 0.60 0.00 4.55 3.57 -1.44 0.10 116.94 124.32 1s72 h PHE 144 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1s72 h PHE 144 Cb 0.30 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1s72 h PHE 144 CO 0.00 0.25 0.00 0.39 -2.23 0.00 0.00 178.31 176.72 1s72 n GLU 145 N -4.49 0.07 -0.00 1.11 1.02 -0.78 -1.85 120.64 115.72 1s72 n GLU 145 Ca 0.13 0.27 0.10 0.00 -0.02 0.00 0.00 57.16 57.64 1s72 n GLU 145 Cb 0.43 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 1s72 n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1s72 n ASP 146 N -1.36 0.91 -4.68 1.62 8.00 0.35 -4.96 116.55 116.42 1s72 n ASP 146 Ca 0.03 -0.91 -0.36 0.00 0.71 0.00 0.00 54.79 54.25 1s72 n ASP 146 Cb 0.08 1.07 0.08 0.00 -0.02 0.00 0.00 41.12 42.32 1s72 n ASP 146 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s72 n LEU 147 N -1.54 4.94 0.00 0.64 4.77 -0.77 -4.93 117.00 120.11 1s72 n LEU 147 Ca 0.03 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 56.78 1s72 n LEU 147 Cb 0.34 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.94 1s72 n LEU 147 CO 0.42 -1.45 -0.34 0.52 -1.33 0.00 0.00 177.39 175.22 1s72 n VAL 148 N -2.15 0.00 -3.39 4.08 0.31 -1.26 -4.55 118.33 111.37 1s72 n VAL 148 Ca 0.15 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.10 1s72 n VAL 148 Cb 0.48 -0.47 -0.06 0.00 -0.91 0.00 0.00 33.84 32.89 1s72 n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1s72 s LYS 149 N -1.67 4.16 0.16 5.55 -0.14 -1.26 -4.35 119.74 122.19 1s72 s LYS 149 Ca 0.00 0.46 -0.15 0.00 -1.36 0.00 0.00 55.97 54.92 1s72 s LYS 149 Cb 0.00 -3.33 0.07 0.00 -1.68 0.00 0.00 37.83 32.90 1s72 s LYS 149 CO 0.00 0.43 1.77 1.15 -0.76 0.00 0.00 175.35 177.94 1s72 h THR 150 N 4.18 0.95 -0.97 2.17 2.02 -1.91 -2.01 112.91 117.34 1s72 h THR 150 Ca -0.46 -0.13 0.22 0.00 0.77 0.00 0.00 66.41 66.81 1s72 h THR 150 Cb 1.20 0.54 -0.12 0.00 -1.74 0.00 0.00 68.15 68.03 1s72 h THR 150 CO 0.69 0.07 0.55 1.56 0.37 0.00 0.00 175.52 178.76 1s72 h GLN 151 N 0.38 0.58 -0.47 6.66 1.08 -1.93 0.12 115.11 121.53 1s72 h GLN 151 Ca 0.18 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 57.26 1s72 h GLN 151 Cb 0.11 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1s72 h GLN 151 CO -0.14 0.38 -0.02 0.93 -0.95 0.00 0.00 178.83 179.03 1s72 h GLU 152 N 0.60 0.79 0.00 1.46 5.08 -1.75 -1.45 114.58 119.32 1s72 h GLU 152 Ca 0.60 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 1s72 h GLU 152 Cb 1.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1s72 h GLU 152 CO -0.45 0.81 -0.32 0.28 -1.00 0.00 0.00 179.01 178.33 1s72 h VAL 153 N 0.74 1.16 0.84 3.13 2.07 -0.68 -2.38 116.25 121.13 1s72 h VAL 153 Ca 0.14 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.51 1s72 h VAL 153 Cb 0.48 1.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1s72 h VAL 153 CO 0.02 0.31 -0.40 0.58 0.02 0.00 0.00 177.57 178.10 1s72 h VAL 154 N 0.00 0.08 -0.50 2.57 2.07 -0.22 -1.02 116.25 119.23 1s72 h VAL 154 Ca -0.00 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.50 1s72 h VAL 154 Cb 0.58 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 30.35 1s72 h VAL 154 CO 0.04 0.00 -0.17 0.28 0.02 0.00 0.00 177.57 177.74 1s72 h SER 155 N -1.24 -0.62 -0.76 0.57 0.02 -1.22 0.13 113.55 110.44 1s72 h SER 155 Ca -0.12 0.17 0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1s72 h SER 155 Cb 0.88 0.37 -0.07 0.00 0.14 0.00 0.00 62.40 63.71 1s72 h SER 155 CO 0.19 -0.21 0.40 0.25 -1.14 0.00 0.00 176.83 176.32 1s72 h LEU 156 N -0.06 0.53 -0.74 5.07 5.85 -1.37 0.12 115.31 124.72 1s72 h LEU 156 Ca 0.24 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 1s72 h LEU 156 Cb 0.43 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1s72 h LEU 156 CO -0.55 0.30 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.76 1s72 h LEU 157 N 0.66 0.92 -0.90 2.25 3.38 0.45 -0.51 115.31 121.56 1s72 h LEU 157 Ca 0.37 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1s72 h LEU 157 Cb 0.39 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1s72 h LEU 157 CO -0.27 0.99 -0.36 -0.33 0.09 0.00 0.00 178.44 178.57 1s72 h GLU 158 N 0.86 0.37 0.00 1.13 5.08 0.01 -1.07 114.58 120.96 1s72 h GLU 158 Ca 0.16 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1s72 h GLU 158 Cb 0.54 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1s72 h GLU 158 CO 0.03 0.68 -0.48 0.00 -1.00 0.00 0.00 179.01 178.24 1s72 h ALA 159 N 1.31 1.07 -0.21 3.43 0.00 -0.36 -2.49 119.26 122.01 1s72 h ALA 159 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1s72 h ALA 159 Cb 0.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1s72 h ALA 159 CO 0.06 0.59 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1s72 n LEU 160 N -3.76 1.97 -3.63 0.00 4.77 -0.24 -4.90 117.00 111.20 1s72 n LEU 160 Ca -0.01 -0.84 -0.25 0.00 -0.03 0.00 0.00 56.01 54.88 1s72 n LEU 160 Cb 0.53 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.55 1s72 n LEU 160 CO 0.39 0.42 0.19 0.47 -1.33 0.00 0.00 177.39 177.53 1s72 n ASP 161 N 0.52 -5.97 0.00 -1.43 8.00 -0.81 -4.83 116.55 112.03 1s72 n ASP 161 Ca 0.16 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1s72 n ASP 161 Cb 0.37 -4.72 0.00 0.00 -0.02 0.00 0.00 41.12 36.75 1s72 n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1s72 n VAL 162 N -4.89 0.00 0.29 2.53 0.31 -0.47 -1.83 118.33 114.27 1s72 n VAL 162 Ca 0.01 -0.36 0.14 0.00 -0.01 0.00 0.00 64.34 64.12 1s72 n VAL 162 Cb 0.56 1.08 0.89 0.00 -0.91 0.00 0.00 33.84 35.46 1s72 n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1s72 h HIS 163 N 0.00 0.00 -0.35 3.52 6.17 -1.83 -2.51 115.15 120.14 1s72 h HIS 163 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 60.37 61.18 1s72 h HIS 163 Cb 0.04 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 29.96 1s72 h HIS 163 CO 0.00 0.00 0.29 0.00 0.71 0.00 0.00 177.93 178.93 1s72 h ALA 164 N 2.00 2.22 -0.44 5.26 0.00 -1.86 -0.62 119.26 125.82 1s72 h ALA 164 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1s72 h ALA 164 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1s72 h ALA 164 CO 0.00 -0.47 -0.25 0.22 0.00 0.00 0.00 179.25 178.75 1s72 h ASP 165 N 0.00 0.95 0.33 0.00 3.58 -0.95 -1.28 116.42 119.05 1s72 h ASP 165 Ca 0.17 -0.37 -0.08 0.00 0.42 0.00 0.00 57.03 57.17 1s72 h ASP 165 Cb 0.74 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1s72 h ASP 165 CO -0.00 1.14 -0.36 0.40 -2.88 0.00 0.00 179.24 177.54 1s72 h ILE 166 N 0.79 1.27 -0.67 2.25 2.04 -1.31 -0.81 117.51 121.08 1s72 h ILE 166 Ca 0.10 -1.30 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 1s72 h ILE 166 Cb 0.81 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1s72 h ILE 166 CO 0.07 0.38 0.21 0.44 0.00 0.00 0.00 178.15 179.24 1s72 h ASP 167 N 0.05 0.95 0.29 1.72 3.45 -0.77 -1.38 116.42 120.73 1s72 h ASP 167 Ca 0.00 -0.17 -0.01 0.00 0.43 0.00 0.00 57.03 57.28 1s72 h ASP 167 Cb 0.67 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.20 1s72 h ASP 167 CO 0.05 0.89 -0.14 -0.09 -1.57 0.00 0.00 179.24 178.38 1s72 h ARG 168 N 0.98 -0.38 0.00 3.56 2.43 -0.07 -2.59 114.38 118.32 1s72 h ARG 168 Ca 0.22 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1s72 h ARG 168 Cb 0.28 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1s72 h ARG 168 CO -0.01 -0.19 0.00 0.00 -1.51 0.00 0.00 179.97 178.26 1s72 n ALA 169 N -2.31 1.93 -1.41 2.80 0.00 -0.47 -3.90 120.51 117.15 1s72 n ALA 169 Ca -0.10 -0.08 -0.26 0.00 0.00 0.00 0.00 53.44 53.00 1s72 n ALA 169 Cb 0.20 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.32 1s72 n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s72 n ASP 170 N -1.20 6.66 -3.41 0.00 4.64 -0.54 -4.36 116.55 118.34 1s72 n ASP 170 Ca 0.09 -2.90 -0.01 0.00 -1.38 0.00 0.00 54.79 50.59 1s72 n ASP 170 Cb 0.10 -1.35 -0.04 0.00 -1.04 0.00 0.00 41.12 38.79 1s72 n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1s72 s GLU 171 N -0.31 0.51 0.31 -0.67 2.02 -1.25 -5.04 118.70 114.27 1s72 s GLU 171 Ca 0.62 1.10 -0.08 0.00 0.02 0.00 0.00 54.97 56.63 1s72 s GLU 171 Cb 0.30 0.50 -0.06 0.00 0.10 0.00 0.00 34.13 34.98 1s72 s GLU 171 CO -0.11 -0.43 0.63 0.95 0.02 0.00 0.00 175.26 176.31 1s72 s THR 172 N 2.80 4.91 -0.12 3.63 -4.23 -1.26 -4.38 115.64 117.00 1s72 s THR 172 Ca 0.08 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 1s72 s THR 172 Cb -0.14 -3.70 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 1s72 s THR 172 CO -0.19 -0.32 -0.16 -0.75 -0.54 0.00 0.00 174.62 172.66 1s72 s LYS 173 N -3.46 3.23 -0.62 3.99 2.20 0.12 -4.96 119.74 120.24 1s72 s LYS 173 Ca 0.47 -0.74 -0.19 0.00 -0.36 0.00 0.00 55.97 55.16 1s72 s LYS 173 Cb -0.11 -2.53 0.11 0.00 -1.51 0.00 0.00 37.83 33.79 1s72 s LYS 173 CO 0.28 0.24 0.74 0.42 -0.36 0.00 0.00 175.35 176.66 1s72 s ILE 174 N 0.26 4.82 0.51 5.43 1.01 -1.26 -2.03 121.20 129.93 1s72 s ILE 174 Ca -0.11 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 1s72 s ILE 174 Cb -0.16 -4.51 -0.09 0.00 0.01 0.00 0.00 42.46 37.71 1s72 s ILE 174 CO 0.06 -1.16 0.73 0.29 0.00 0.00 0.00 174.94 174.87 1s72 n LYS 175 N 6.33 0.80 -2.92 2.79 5.02 -0.60 -5.00 118.16 124.59 1s72 n LYS 175 Ca -0.07 0.30 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 1s72 n LYS 175 Cb 0.43 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1s72 n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s72 s ALA 176 N -1.52 3.30 0.00 7.82 0.00 -1.26 -4.90 121.76 125.20 1s72 s ALA 176 Ca 0.68 0.36 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1s72 s ALA 176 Cb -0.50 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1s72 s ALA 176 CO 0.54 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.96 1s72 n GLY 177 N 0.62 1.72 0.00 0.00 0.00 -1.26 -4.74 105.19 101.53 1s72 n GLY 177 Ca 0.00 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 44.02 1s72 n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s72 n GLN 178 N 0.82 0.90 0.28 1.61 6.02 -1.26 -3.44 117.38 122.31 1s72 n GLN 178 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1s72 n GLN 178 Cb 0.00 -1.23 0.78 0.00 1.02 0.00 0.00 30.24 30.82 1s72 n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1s72 h GLY 179 N 5.00 0.00 0.73 1.08 0.00 -1.85 -0.19 103.07 107.85 1s72 h GLY 179 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 1s72 h GLY 179 CO 0.00 0.00 0.50 0.23 0.00 0.00 0.00 176.54 177.27 1s72 h SER 180 N 0.00 0.44 1.16 0.19 0.87 -1.65 0.97 113.55 115.54 1s72 h SER 180 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1s72 h SER 180 Cb 0.03 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1s72 h SER 180 CO 0.00 0.24 0.00 0.00 -0.53 0.00 0.00 176.83 176.54 1s72 n ALA 181 N -2.50 2.20 -0.82 6.23 0.00 -0.08 -3.12 120.51 122.42 1s72 n ALA 181 Ca 0.14 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1s72 n ALA 181 Cb 0.48 -1.45 0.23 0.00 0.00 0.00 0.00 19.45 18.71 1s72 n ALA 181 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s72 n ARG 182 N -1.91 2.86 -0.58 0.00 1.74 0.09 -4.95 116.66 113.91 1s72 n ARG 182 Ca 0.06 -2.66 0.00 0.00 -0.77 0.00 0.00 57.85 54.48 1s72 n ARG 182 Cb 0.36 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1s72 n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s72 n GLY 183 N -0.34 0.70 2.63 -0.13 0.00 -1.05 -4.97 105.19 102.03 1s72 n GLY 183 Ca 0.19 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1s72 n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s72 n ARG 184 N -2.58 3.18 -0.09 1.61 1.74 0.11 -4.77 116.66 115.86 1s72 n ARG 184 Ca 0.00 -4.14 -0.13 0.00 -0.77 0.00 0.00 57.85 52.82 1s72 n ARG 184 Cb 0.00 -2.26 -0.05 0.00 -1.02 0.00 0.00 32.46 29.13 1s72 n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1s72 h LYS 185 N 2.72 0.59 -6.21 5.56 3.64 -1.79 -3.31 116.57 117.78 1s72 h LYS 185 Ca 0.40 -0.30 -0.49 0.00 -1.27 0.00 0.00 60.65 58.99 1s72 h LYS 185 Cb 0.60 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.39 1s72 h LYS 185 CO 1.07 0.88 -0.47 0.71 -2.27 0.00 0.00 179.45 179.37 1s72 s TYR 186 N -4.42 3.07 -0.06 1.91 1.51 -1.26 -1.55 117.35 116.55 1s72 s TYR 186 Ca -0.13 -0.18 -0.31 0.00 -1.01 0.00 0.00 57.07 55.44 1s72 s TYR 186 Cb 0.08 -1.61 0.08 0.00 -0.11 0.00 0.00 41.96 40.40 1s72 s TYR 186 CO 0.80 0.35 0.72 -0.98 -1.11 0.00 0.00 175.55 175.33 1s72 s ARG 187 N -3.94 1.00 0.08 -0.62 1.04 -0.86 -4.92 118.95 110.73 1s72 s ARG 187 Ca 0.37 0.22 -0.14 0.00 -1.04 0.00 0.00 55.73 55.14 1s72 s ARG 187 Cb -0.07 0.47 0.02 0.00 -2.04 0.00 0.00 34.95 33.33 1s72 s ARG 187 CO 0.26 -0.32 0.32 -0.98 -0.04 0.00 0.00 175.30 174.55 1s72 s ARG 188 N -1.26 0.91 0.79 3.89 1.70 -1.26 0.12 118.95 123.83 1s72 s ARG 188 Ca -0.09 -0.64 -0.15 0.00 -0.47 0.00 0.00 55.73 54.38 1s72 s ARG 188 Cb -0.00 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 1s72 s ARG 188 CO 0.08 -0.32 0.81 -2.30 -1.08 0.00 0.00 175.30 172.50 1s72 n PRO 189 N 0.19 0.21 -3.65 3.89 -0.02 -1.26 -4.98 135.00 129.38 1s72 n PRO 189 Ca -0.17 0.13 -0.36 0.00 -2.02 0.00 0.00 63.50 61.08 1s72 n PRO 189 Cb 0.61 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 1s72 n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s72 s ALA 190 N -2.04 3.64 0.00 3.55 0.00 -1.26 -4.38 121.76 121.27 1s72 s ALA 190 Ca 0.68 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.01 1s72 s ALA 190 Cb -0.31 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.53 1s72 s ALA 190 CO 0.56 0.08 0.00 -1.13 0.00 0.00 0.00 175.76 175.26 1s72 n SER 191 N 3.67 0.00 -4.74 0.00 3.41 0.17 -4.94 113.62 111.19 1s72 n SER 191 Ca -0.14 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.06 1s72 n SER 191 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1s72 n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1s72 s ILE 192 N 3.36 4.14 -0.20 -1.33 1.01 -1.26 -4.55 121.20 122.37 1s72 s ILE 192 Ca 0.00 1.96 -0.09 0.00 0.00 0.00 0.00 60.65 62.52 1s72 s ILE 192 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 1s72 s ILE 192 CO 0.00 0.39 0.10 -0.22 0.00 0.00 0.00 174.94 175.22 1s72 s LEU 193 N -0.68 3.98 -0.29 2.97 2.96 -0.93 -1.91 118.68 124.78 1s72 s LEU 193 Ca 0.45 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 54.41 1s72 s LEU 193 Cb -0.26 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.41 1s72 s LEU 193 CO 0.32 0.14 0.07 -0.36 -1.32 0.00 0.00 176.35 175.20 1s72 s PHE 194 N 0.60 3.14 -0.36 5.38 0.40 0.11 -1.58 117.98 125.66 1s72 s PHE 194 Ca 0.06 -1.01 -0.11 0.00 -0.60 0.00 0.00 56.93 55.27 1s72 s PHE 194 Cb -0.12 -2.24 0.02 0.00 0.51 0.00 0.00 43.02 41.19 1s72 s PHE 194 CO 0.01 -0.58 0.20 0.08 0.70 0.00 0.00 175.22 175.62 1s72 s VAL 195 N 1.49 4.60 0.00 -0.44 1.01 -0.40 -0.70 120.40 125.96 1s72 s VAL 195 Ca 0.02 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1s72 s VAL 195 Cb -0.17 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1s72 s VAL 195 CO 0.02 -0.18 0.00 0.35 0.00 0.00 0.00 175.10 175.29 1s72 n THR 196 N 5.00 0.00 0.00 3.92 -2.24 -0.47 -2.02 114.28 118.48 1s72 n THR 196 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1s72 n THR 196 Cb 0.47 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1s72 n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s72 n SER 197 N -1.44 2.73 -0.04 3.42 2.88 -1.26 -1.64 113.62 118.26 1s72 n SER 197 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1s72 n SER 197 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1s72 n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1s72 h ASP 198 N 0.00 0.21 -5.01 -3.46 3.32 -1.99 -3.43 116.42 106.06 1s72 h ASP 198 Ca 0.00 -0.76 -0.09 0.00 0.02 0.00 0.00 57.03 56.20 1s72 h ASP 198 Cb 0.90 -0.07 -0.18 0.00 0.22 0.00 0.00 39.33 40.19 1s72 h ASP 198 CO 0.00 1.55 -0.14 -1.61 -1.72 0.00 0.00 179.24 177.32 1s72 s GLU 199 N -2.42 0.83 0.59 3.56 2.02 -1.26 -5.11 118.70 116.90 1s72 s GLU 199 Ca -0.23 -0.21 -0.20 0.00 0.02 0.00 0.00 54.97 54.35 1s72 s GLU 199 Cb 0.05 0.37 -0.04 0.00 0.10 0.00 0.00 34.13 34.61 1s72 s GLU 199 CO 0.70 -0.26 1.20 -2.30 0.02 0.00 0.00 175.26 174.62 1s72 n PRO 200 N 0.88 1.27 -2.04 0.39 -0.02 -1.26 -4.74 135.00 129.47 1s72 n PRO 200 Ca -0.20 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 1s72 n PRO 200 Cb 0.58 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1s72 n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s72 s SER 201 N -1.14 5.65 0.42 2.55 0.15 -1.26 -4.83 113.70 115.23 1s72 s SER 201 Ca 0.76 0.84 0.14 0.00 0.70 0.00 0.00 55.95 58.39 1s72 s SER 201 Cb -0.41 -2.53 0.89 0.00 -1.71 0.00 0.00 66.02 62.26 1s72 s SER 201 CO 0.46 -1.99 1.92 0.74 1.20 0.00 0.00 173.24 175.58 1s72 h THR 202 N 6.82 1.17 0.00 6.45 2.02 -1.90 -1.56 112.91 125.92 1s72 h THR 202 Ca -0.30 -0.91 -0.10 0.00 0.77 0.00 0.00 66.41 65.88 1s72 h THR 202 Cb 1.16 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1s72 h THR 202 CO 1.12 0.26 -0.45 0.00 0.37 0.00 0.00 175.52 176.81 1s72 h ALA 203 N 1.74 0.90 0.00 6.16 0.00 -1.80 -3.31 119.26 122.94 1s72 h ALA 203 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1s72 h ALA 203 Cb 0.47 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1s72 h ALA 203 CO 0.03 0.57 -1.90 0.00 0.00 0.00 0.00 179.25 177.95 1s72 n ALA 204 N -2.30 2.75 -0.34 0.00 0.00 -1.02 -3.43 120.51 116.17 1s72 n ALA 204 Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 53.44 53.06 1s72 n ALA 204 Cb 0.58 -0.68 0.27 0.00 0.00 0.00 0.00 19.45 19.62 1s72 n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1s72 h ARG 205 N 0.00 0.75 0.00 0.00 0.11 -1.38 -1.37 114.38 112.48 1s72 h ARG 205 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1s72 h ARG 205 Cb 0.91 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1s72 h ARG 205 CO 0.00 0.50 0.00 -1.71 0.10 0.00 0.00 179.97 178.86 1s72 n ASN 206 N -4.77 0.00 -4.76 0.08 5.15 -1.26 -4.65 115.26 105.05 1s72 n ASN 206 Ca 0.20 -1.16 -0.41 0.00 -0.60 0.00 0.00 54.58 52.61 1s72 n ASN 206 Cb 0.47 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.70 1s72 n ASN 206 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1s72 s LEU 207 N -1.75 4.43 -0.26 1.20 1.43 -0.52 -4.87 118.68 118.34 1s72 s LEU 207 Ca 0.33 2.61 -0.41 0.00 -1.03 0.00 0.00 54.13 55.64 1s72 s LEU 207 Cb 0.15 -3.64 -0.17 0.00 0.03 0.00 0.00 46.19 42.57 1s72 s LEU 207 CO 0.26 -0.54 1.62 0.00 0.23 0.00 0.00 176.35 177.92 1s72 n ALA 208 N 1.36 -0.76 -0.77 4.21 0.00 -1.26 -0.68 120.51 122.61 1s72 n ALA 208 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1s72 n ALA 208 Cb 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1s72 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s72 n GLY 209 N 3.76 0.41 3.83 0.00 0.00 -1.26 -4.55 105.19 107.37 1s72 n GLY 209 Ca 0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 1s72 n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 s ALA 210 N -2.19 3.11 0.00 4.61 0.00 0.14 0.45 121.76 127.88 1s72 s ALA 210 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.32 1s72 s ALA 210 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 20.05 1s72 s ALA 210 CO 0.00 0.18 -0.13 -0.51 0.00 0.00 0.00 175.76 175.30 1s72 s ASP 211 N -2.18 1.51 0.04 0.00 1.01 -0.80 -4.84 116.67 111.41 1s72 s ASP 211 Ca 0.60 -0.28 0.05 0.00 0.71 0.00 0.00 52.55 53.63 1s72 s ASP 211 Cb -0.10 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.65 1s72 s ASP 211 CO 0.14 0.12 -0.10 0.68 0.21 0.00 0.00 175.17 176.23 1s72 s VAL 212 N -0.43 3.41 0.29 -1.27 -7.23 -1.26 -0.71 120.40 113.18 1s72 s VAL 212 Ca 0.04 -1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 59.09 1s72 s VAL 212 Cb -0.06 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1s72 s VAL 212 CO -0.00 0.29 0.51 0.00 -0.31 0.00 0.00 175.10 175.58 1s72 s ALA 213 N -1.06 -0.03 0.08 1.32 0.00 0.12 -4.91 121.76 117.28 1s72 s ALA 213 Ca 0.18 -1.03 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1s72 s ALA 213 Cb -0.11 1.05 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 1s72 s ALA 213 CO 0.09 -0.85 -0.23 0.99 0.00 0.00 0.00 175.76 175.76 1s72 s THR 214 N -3.59 1.90 0.29 0.00 2.01 -1.26 -1.37 115.64 113.62 1s72 s THR 214 Ca 0.24 -1.46 -0.00 0.00 0.31 0.00 0.00 61.69 60.77 1s72 s THR 214 Cb -0.01 -1.67 0.28 0.00 0.01 0.00 0.00 72.50 71.11 1s72 s THR 214 CO 0.12 0.13 1.90 0.00 -0.69 0.00 0.00 174.62 176.08 1s72 h ALA 215 N 4.40 1.48 0.00 7.40 0.00 -1.59 0.86 119.26 131.81 1s72 h ALA 215 Ca -0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1s72 h ALA 215 Cb 1.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1s72 h ALA 215 CO 0.41 0.38 -0.21 0.66 0.00 0.00 0.00 179.25 180.50 1s72 h SER 216 N 1.08 0.00 0.00 0.00 4.64 -1.89 -3.32 113.55 114.06 1s72 h SER 216 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1s72 h SER 216 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1s72 h SER 216 CO -0.16 0.21 -0.07 -1.84 -0.87 0.00 0.00 176.83 174.10 1s72 n GLU 217 N -3.74 1.25 -1.88 4.77 0.28 -1.03 -5.06 120.64 115.23 1s72 n GLU 217 Ca -0.01 -1.23 -0.41 0.00 -0.16 0.00 0.00 57.16 55.34 1s72 n GLU 217 Cb 0.32 -0.82 -0.01 0.00 1.43 0.00 0.00 31.44 32.35 1s72 n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1s72 s VAL 218 N -0.77 2.27 0.39 3.84 0.11 0.27 -4.89 120.40 121.61 1s72 s VAL 218 Ca 0.05 0.25 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1s72 s VAL 218 Cb 0.04 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1s72 s VAL 218 CO 0.00 0.05 0.04 -0.46 -3.33 0.00 0.00 175.10 171.40 1s72 n ASN 219 N 1.31 2.97 -0.34 3.54 0.23 -1.26 -5.03 115.26 116.68 1s72 n ASN 219 Ca 0.04 -2.65 -0.02 0.00 -0.53 0.00 0.00 54.58 51.42 1s72 n ASN 219 Cb 0.39 0.23 0.11 0.00 -2.08 0.00 0.00 39.78 38.43 1s72 n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1s72 h THR 220 N 1.13 1.19 0.07 5.53 2.02 -1.91 -2.02 112.91 118.92 1s72 h THR 220 Ca -0.31 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.45 1s72 h THR 220 Cb 0.96 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1s72 h THR 220 CO 0.51 0.22 -0.04 -0.33 0.37 0.00 0.00 175.52 176.26 1s72 h GLU 221 N 1.20 -0.10 0.00 6.66 5.08 -1.92 0.78 114.58 126.29 1s72 h GLU 221 Ca 0.35 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1s72 h GLU 221 Cb -0.07 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1s72 h GLU 221 CO -0.10 -0.03 -0.34 0.38 -1.00 0.00 0.00 179.01 177.93 1s72 h ASP 222 N -0.14 0.00 0.99 1.42 3.04 -1.95 0.92 116.42 120.71 1s72 h ASP 222 Ca -0.01 0.00 -0.21 0.00 -3.24 0.00 0.00 57.03 53.57 1s72 h ASP 222 Cb 0.11 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.37 1s72 h ASP 222 CO 0.02 0.34 -1.01 -0.07 -2.04 0.00 0.00 179.24 176.48 1s72 h LEU 223 N 0.00 0.01 -5.81 0.15 4.07 -1.08 -3.40 115.31 109.25 1s72 h LEU 223 Ca -0.00 -0.01 -0.49 0.00 0.08 0.00 0.00 57.88 57.46 1s72 h LEU 223 Cb 0.67 -0.00 -0.34 0.00 1.08 0.00 0.00 40.66 42.07 1s72 h LEU 223 CO 0.04 1.00 -1.00 0.00 -1.08 0.00 0.00 178.44 177.41 1s72 n ALA 224 N -2.35 1.67 -1.58 1.53 0.00 0.27 -3.50 120.51 116.55 1s72 n ALA 224 Ca -0.00 -3.02 -0.49 0.00 0.00 0.00 0.00 53.44 49.93 1s72 n ALA 224 Cb 0.94 -0.92 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 1s72 n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s72 n PRO 225 N 1.35 1.16 -1.27 0.00 -0.04 0.29 -0.43 135.00 136.07 1s72 n PRO 225 Ca 0.19 0.42 -0.09 0.00 -0.04 0.00 0.00 63.50 63.97 1s72 n PRO 225 Cb 0.56 -1.93 -0.04 0.00 -0.04 0.00 0.00 33.50 32.05 1s72 n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s72 n GLY 226 N 2.07 1.01 2.96 0.55 0.00 -1.26 -2.35 105.19 108.18 1s72 n GLY 226 Ca 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1s72 n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s72 n GLY 227 N -0.84 1.12 3.62 -0.02 0.00 0.43 -5.01 105.19 104.48 1s72 n GLY 227 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1s72 n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s72 s ALA 228 N -3.91 3.60 0.66 4.61 0.00 -0.99 -4.14 121.76 121.58 1s72 s ALA 228 Ca 0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 1s72 s ALA 228 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.01 1s72 s ALA 228 CO 0.00 -0.91 1.07 -2.14 0.00 0.00 0.00 175.76 173.78 1s72 s PRO 229 N 2.62 2.98 0.00 0.00 0.02 -1.26 -4.02 135.00 135.33 1s72 s PRO 229 Ca 0.28 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.46 1s72 s PRO 229 Cb -0.15 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1s72 s PRO 229 CO 0.09 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 176.09 1s72 n GLY 230 N -1.20 0.52 3.76 0.52 0.00 -1.26 -4.69 105.19 102.84 1s72 n GLY 230 Ca 0.09 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1s72 n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1s72 s ARG 231 N -1.18 4.53 -0.34 1.61 3.52 -1.23 -3.97 118.95 121.89 1s72 s ARG 231 Ca 0.00 1.12 -0.28 0.00 -0.13 0.00 0.00 55.73 56.44 1s72 s ARG 231 Cb 0.00 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 1s72 s ARG 231 CO 0.00 0.44 1.98 -1.17 -0.81 0.00 0.00 175.30 175.73 1s72 s LEU 232 N -0.63 3.46 0.30 -0.88 2.96 -1.26 -4.76 118.68 117.86 1s72 s LEU 232 Ca 0.37 1.36 0.09 0.00 -0.22 0.00 0.00 54.13 55.73 1s72 s LEU 232 Cb -0.22 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 1s72 s LEU 232 CO 0.25 -1.95 0.03 -0.89 -1.32 0.00 0.00 176.35 172.47 1s72 s THR 233 N 7.97 3.20 -0.19 3.68 2.01 -1.26 -2.18 115.64 128.87 1s72 s THR 233 Ca 0.86 -1.88 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 1s72 s THR 233 Cb -0.24 -2.86 0.07 0.00 0.01 0.00 0.00 72.50 69.48 1s72 s THR 233 CO 0.32 -0.30 0.10 0.54 -0.69 0.00 0.00 174.62 174.59 1s72 s VAL 234 N -2.38 -0.09 0.72 3.82 0.11 -0.61 -2.13 120.40 119.83 1s72 s VAL 234 Ca 0.33 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 59.11 1s72 s VAL 234 Cb -0.04 -0.63 0.12 0.00 -1.53 0.00 0.00 36.38 34.29 1s72 s VAL 234 CO 0.20 -0.34 1.00 -0.36 -3.33 0.00 0.00 175.10 172.27 1s72 s PHE 235 N 2.14 1.83 0.03 1.54 0.40 0.46 -1.27 117.98 123.11 1s72 s PHE 235 Ca 0.03 -0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 1s72 s PHE 235 Cb -0.16 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.26 1s72 s PHE 235 CO -0.13 -1.67 -0.14 -0.08 0.70 0.00 0.00 175.22 173.89 1s72 s THR 236 N -3.17 3.07 0.12 0.64 -1.32 -0.85 -2.45 115.64 111.68 1s72 s THR 236 Ca 0.65 -1.06 -0.22 0.00 -1.21 0.00 0.00 61.69 59.85 1s72 s THR 236 Cb -0.06 -2.31 -0.03 0.00 -1.51 0.00 0.00 72.50 68.58 1s72 s THR 236 CO 0.44 0.35 1.12 1.21 -2.21 0.00 0.00 174.62 175.53 1s72 n GLU 237 N 1.52 -0.31 -0.16 7.08 4.07 0.11 0.13 120.64 133.08 1s72 n GLU 237 Ca -0.16 1.10 -0.10 0.00 -0.06 0.00 0.00 57.16 57.94 1s72 n GLU 237 Cb 0.52 -1.62 -0.00 0.00 -0.06 0.00 0.00 31.44 30.28 1s72 n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1s72 h SER 238 N 0.00 0.85 -0.14 4.31 0.02 -1.95 -2.74 113.55 113.90 1s72 h SER 238 Ca 0.13 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1s72 h SER 238 Cb 0.31 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 1s72 h SER 238 CO -0.69 0.99 -0.18 0.00 -1.14 0.00 0.00 176.83 175.81 1s72 h ALA 239 N 0.89 -0.12 -0.89 3.77 0.00 -0.16 0.59 119.26 123.34 1s72 h ALA 239 Ca 0.12 0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.28 1s72 h ALA 239 Cb 0.59 0.37 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 1s72 h ALA 239 CO 0.04 -0.64 0.43 1.25 0.00 0.00 0.00 179.25 180.33 1s72 h LEU 240 N -0.23 0.44 -0.50 0.00 6.46 0.12 -0.13 115.31 121.48 1s72 h LEU 240 Ca 0.10 0.13 -0.15 0.00 -0.12 0.00 0.00 57.88 57.84 1s72 h LEU 240 Cb 0.38 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1s72 h LEU 240 CO -0.27 0.10 -0.43 0.00 -0.62 0.00 0.00 178.44 177.22 1s72 h ALA 241 N 1.65 0.68 0.12 1.25 0.00 -0.85 -3.21 119.26 118.91 1s72 h ALA 241 Ca 0.53 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1s72 h ALA 241 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1s72 h ALA 241 CO -0.46 0.67 -0.06 0.93 0.00 0.00 0.00 179.25 180.33 1s72 h GLU 242 N 0.61 -0.16 -1.18 0.00 5.08 0.75 -3.05 114.58 116.63 1s72 h GLU 242 Ca 0.04 0.01 0.36 0.00 -1.00 0.00 0.00 59.36 58.78 1s72 h GLU 242 Cb 0.98 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.15 1s72 h GLU 242 CO 0.09 0.16 0.74 0.28 -1.00 0.00 0.00 179.01 179.29 1s72 h VAL 243 N -0.49 0.27 -1.11 3.13 2.07 -1.20 -1.55 116.25 117.37 1s72 h VAL 243 Ca -0.02 -0.07 0.33 0.00 0.82 0.00 0.00 66.70 67.76 1s72 h VAL 243 Cb 0.39 0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 30.08 1s72 h VAL 243 CO 0.03 0.04 0.69 0.00 0.02 0.00 0.00 177.57 178.34 1s72 h ALA 244 N 1.65 2.27 -0.04 1.67 0.00 -1.53 0.41 119.26 123.68 1s72 h ALA 244 Ca 0.74 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.77 1s72 h ALA 244 Cb 2.09 0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.00 1s72 h ALA 244 CO -0.41 -0.81 0.00 0.39 0.00 0.00 0.00 179.25 178.42 1s72 n GLU 245 N -4.79 1.82 0.00 0.00 1.02 -0.58 -4.71 120.64 113.39 1s72 n GLU 245 Ca 0.31 -1.20 0.09 0.00 -0.02 0.00 0.00 57.16 56.34 1s72 n GLU 245 Cb 1.07 -1.47 0.53 0.00 -0.02 0.00 0.00 31.44 31.55 1s72 n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85