#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i40 h LEU 2 N 0.00 0.00 -1.59 1.04 3.38 -1.96 0.03 115.31 116.21 1i40 h LEU 2 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1i40 h LEU 2 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1i40 h LEU 2 CO 0.00 0.02 0.29 0.17 0.09 0.00 0.00 178.44 179.00 1i40 h LEU 3 N 0.00 0.48 0.00 1.67 8.10 -2.00 1.67 115.31 125.23 1i40 h LEU 3 Ca -0.00 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1i40 h LEU 3 Cb 0.20 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1i40 h LEU 3 CO 0.00 0.34 0.00 0.59 -4.11 0.00 0.00 178.44 175.26 1i40 n ASN 4 N -4.47 0.00 -4.74 0.17 4.13 -0.00 -4.74 115.26 105.61 1i40 n ASN 4 Ca 0.04 -1.18 -0.39 0.00 1.68 0.00 0.00 54.58 54.73 1i40 n ASN 4 Cb 0.08 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.27 1i40 n ASN 4 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1i40 s VAL 5 N -2.00 4.93 0.84 2.41 1.01 0.57 -5.01 120.40 123.15 1i40 s VAL 5 Ca 0.24 1.41 -0.10 0.00 0.00 0.00 0.00 61.98 63.52 1i40 s VAL 5 Cb 0.11 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.57 1i40 s VAL 5 CO 0.18 0.33 1.12 -2.84 0.00 0.00 0.00 175.10 173.90 1i40 s PRO 6 N 0.27 1.64 0.41 2.72 0.02 -1.26 -4.74 135.00 134.06 1i40 s PRO 6 Ca 0.35 1.38 0.09 0.00 0.02 0.00 0.00 61.00 62.83 1i40 s PRO 6 Cb -0.18 -1.81 0.89 0.00 0.02 0.00 0.00 34.50 33.42 1i40 s PRO 6 CO 0.19 -2.14 2.04 0.00 -0.33 0.00 0.00 177.00 176.76 1i40 h ALA 7 N -1.47 1.78 0.00 -1.55 0.00 -1.90 -3.42 119.26 112.70 1i40 h ALA 7 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1i40 h ALA 7 Cb 1.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1i40 h ALA 7 CO 0.46 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1i40 n GLY 8 N -1.48 1.59 0.17 0.00 0.00 -1.26 -1.14 105.19 103.07 1i40 n GLY 8 Ca 0.05 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 1i40 n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1i40 h LYS 9 N 0.00 0.11 -0.85 1.61 3.64 -1.83 -3.41 116.57 115.85 1i40 h LYS 9 Ca 0.00 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1i40 h LYS 9 Cb 0.00 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 31.67 1i40 h LYS 9 CO 0.00 0.59 -0.47 -3.47 -2.27 0.00 0.00 179.45 173.83 1i40 n ASP 10 N -3.95 -3.31 -4.76 4.20 2.03 -0.76 -5.06 116.55 104.95 1i40 n ASP 10 Ca -0.02 -2.87 -0.35 0.00 0.52 0.00 0.00 54.79 52.07 1i40 n ASP 10 Cb 0.53 1.72 0.03 0.00 -0.72 0.00 0.00 41.12 42.68 1i40 n ASP 10 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1i40 s LEU 11 N 0.69 3.61 0.00 -2.67 1.02 -1.21 -1.39 118.68 118.74 1i40 s LEU 11 Ca 0.30 2.27 0.27 0.00 0.02 0.00 0.00 54.13 56.98 1i40 s LEU 11 Cb 0.03 -4.59 0.79 0.00 0.02 0.00 0.00 46.19 42.44 1i40 s LEU 11 CO -0.07 -1.56 1.59 -0.81 0.02 0.00 0.00 176.35 175.51 1i40 n PRO 12 N -1.74 1.28 0.13 1.29 -0.04 -1.26 -4.85 135.00 129.81 1i40 n PRO 12 Ca 0.13 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1i40 n PRO 12 Cb 0.50 -1.48 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 1i40 n PRO 12 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1i40 h GLU 13 N 1.95 0.00 -3.70 0.54 4.57 -1.87 -3.41 114.58 112.66 1i40 h GLU 13 Ca 0.00 0.00 -0.59 0.00 -1.18 0.00 0.00 59.36 57.59 1i40 h GLU 13 Cb 0.55 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.74 1i40 h GLU 13 CO 0.00 0.61 -0.75 0.34 -1.18 0.00 0.00 179.01 178.03 1i40 s ASP 14 N -6.57 4.11 0.30 1.04 -1.08 -0.48 -4.31 116.67 109.68 1i40 s ASP 14 Ca 0.01 -1.69 0.08 0.00 -0.52 0.00 0.00 52.55 50.43 1i40 s ASP 14 Cb 0.10 -0.96 -0.06 0.00 -1.46 0.00 0.00 42.92 40.54 1i40 s ASP 14 CO 0.75 -0.41 -0.07 0.27 0.52 0.00 0.00 175.17 176.23 1i40 s ILE 15 N 1.53 1.85 -0.08 4.11 -4.36 -0.52 -1.83 121.20 121.90 1i40 s ILE 15 Ca 0.10 -2.16 0.01 0.00 -0.26 0.00 0.00 60.65 58.34 1i40 s ILE 15 Cb -0.17 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.00 1i40 s ILE 15 CO -0.23 -0.27 -0.08 -0.31 0.24 0.00 0.00 174.94 174.29 1i40 s TYR 16 N -2.88 2.90 -0.14 1.37 2.02 -0.29 -0.73 117.35 119.60 1i40 s TYR 16 Ca 0.30 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 1i40 s TYR 16 Cb 0.03 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 1i40 s TYR 16 CO 0.13 0.22 -0.18 0.08 -1.57 0.00 0.00 175.55 174.23 1i40 s VAL 17 N -0.56 2.48 -0.28 0.71 1.01 -0.23 -4.39 120.40 119.14 1i40 s VAL 17 Ca 0.08 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 1i40 s VAL 17 Cb -0.12 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 1i40 s VAL 17 CO 0.02 0.53 0.82 -0.69 0.00 0.00 0.00 175.10 175.77 1i40 s VAL 18 N 0.73 4.79 -0.01 2.92 1.01 0.07 -1.21 120.40 128.71 1i40 s VAL 18 Ca -0.08 1.35 -0.27 0.00 0.00 0.00 0.00 61.98 62.99 1i40 s VAL 18 Cb -0.16 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1i40 s VAL 18 CO 0.01 -0.20 0.85 -0.63 0.00 0.00 0.00 175.10 175.13 1i40 s ILE 19 N 2.95 4.89 -0.18 2.22 -1.09 0.20 -1.54 121.20 128.65 1i40 s ILE 19 Ca 0.34 1.78 0.05 0.00 -2.23 0.00 0.00 60.65 60.59 1i40 s ILE 19 Cb -0.14 -4.19 -0.14 0.00 -1.58 0.00 0.00 42.46 36.40 1i40 s ILE 19 CO 0.11 0.23 -0.10 -0.62 -1.23 0.00 0.00 174.94 173.33 1i40 n GLU 20 N 3.63 0.80 -3.99 2.79 1.02 0.34 0.24 120.64 125.48 1i40 n GLU 20 Ca 0.02 0.07 -0.26 0.00 -0.02 0.00 0.00 57.16 56.98 1i40 n GLU 20 Cb 0.51 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 30.38 1i40 n GLU 20 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i40 s ILE 21 N -2.38 0.92 0.72 -3.67 1.01 -0.59 -4.63 121.20 112.58 1i40 s ILE 21 Ca -0.20 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 1i40 s ILE 21 Cb 0.06 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.61 1i40 s ILE 21 CO 0.49 0.34 1.08 -2.84 0.00 0.00 0.00 174.94 174.01 1i40 s PRO 22 N 1.56 2.67 0.74 2.79 0.02 -1.26 -0.66 135.00 140.86 1i40 s PRO 22 Ca 0.01 1.09 -0.15 0.00 0.02 0.00 0.00 61.00 61.98 1i40 s PRO 22 Cb -0.13 -1.95 0.04 0.00 0.02 0.00 0.00 34.50 32.48 1i40 s PRO 22 CO -0.06 -1.32 1.23 0.00 -0.33 0.00 0.00 177.00 176.53 1i40 s ALA 23 N -2.89 2.07 -1.50 -1.55 0.00 -1.26 -3.76 121.76 112.87 1i40 s ALA 23 Ca 0.60 0.97 -0.06 0.00 0.00 0.00 0.00 51.96 53.48 1i40 s ALA 23 Cb -0.16 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.47 1i40 s ALA 23 CO 0.53 -1.98 0.59 -1.71 0.00 0.00 0.00 175.76 173.19 1i40 n ASN 24 N -2.73 -5.64 -4.85 0.00 5.15 -1.25 -4.75 115.26 101.18 1i40 n ASN 24 Ca 0.14 -0.31 -0.22 0.00 -0.60 0.00 0.00 54.58 53.60 1i40 n ASN 24 Cb 0.50 -4.57 -0.04 0.00 -0.53 0.00 0.00 39.78 35.14 1i40 n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1i40 s ALA 25 N -3.13 3.99 0.74 5.20 0.00 -1.25 -5.11 121.76 122.20 1i40 s ALA 25 Ca 0.33 -1.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.24 1i40 s ALA 25 Cb -0.15 -0.89 0.04 0.00 0.00 0.00 0.00 23.12 22.12 1i40 s ALA 25 CO 0.41 -0.22 1.15 -0.51 0.00 0.00 0.00 175.76 176.58 1i40 s ASP 26 N -4.10 4.36 0.00 0.00 1.01 -1.26 -4.74 116.67 111.94 1i40 s ASP 26 Ca 0.47 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.88 1i40 s ASP 26 Cb -0.02 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1i40 s ASP 26 CO 0.27 -2.14 0.78 -0.81 0.21 0.00 0.00 175.17 173.47 1i40 n PRO 27 N -2.92 0.61 -3.05 8.23 -0.04 -1.26 -4.83 135.00 131.73 1i40 n PRO 27 Ca 0.12 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.16 1i40 n PRO 27 Cb 0.51 -1.20 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 1i40 n PRO 27 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1i40 s ILE 28 N 0.51 4.90 -0.44 0.52 1.01 -1.26 -2.06 121.20 124.37 1i40 s ILE 28 Ca 0.00 1.01 -0.23 0.00 0.00 0.00 0.00 60.65 61.44 1i40 s ILE 28 Cb 0.00 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1i40 s ILE 28 CO 0.00 -0.15 0.77 -0.75 0.00 0.00 0.00 174.94 174.80 1i40 s LYS 29 N 2.71 3.41 0.16 2.79 2.20 0.10 -4.97 119.74 126.15 1i40 s LYS 29 Ca 0.28 -0.12 -0.05 0.00 -0.36 0.00 0.00 55.97 55.72 1i40 s LYS 29 Cb -0.15 -3.93 -0.05 0.00 -1.51 0.00 0.00 37.83 32.18 1i40 s LYS 29 CO 0.11 -1.09 0.40 0.71 -0.36 0.00 0.00 175.35 175.13 1i40 s TYR 30 N 3.22 3.47 -0.05 4.03 2.02 -1.26 -0.29 117.35 128.49 1i40 s TYR 30 Ca 0.29 0.56 -0.03 0.00 -0.37 0.00 0.00 57.07 57.51 1i40 s TYR 30 Cb -0.12 -2.01 0.02 0.00 -0.40 0.00 0.00 41.96 39.45 1i40 s TYR 30 CO 0.22 0.40 0.12 -1.21 -1.57 0.00 0.00 175.55 173.51 1i40 s GLU 31 N -2.80 0.11 0.17 -0.62 2.02 0.00 -4.75 118.70 112.83 1i40 s GLU 31 Ca 0.41 0.24 -0.30 0.00 0.02 0.00 0.00 54.97 55.34 1i40 s GLU 31 Cb -0.12 -0.05 -0.08 0.00 0.10 0.00 0.00 34.13 33.98 1i40 s GLU 31 CO 0.25 -0.08 1.31 0.42 0.02 0.00 0.00 175.26 177.18 1i40 s ILE 32 N 0.55 3.32 -0.11 -1.63 -1.09 -1.26 -1.16 121.20 119.81 1i40 s ILE 32 Ca -0.04 1.04 -0.28 0.00 -2.23 0.00 0.00 60.65 59.14 1i40 s ILE 32 Cb -0.06 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1i40 s ILE 32 CO -0.02 0.13 0.93 -0.62 -1.23 0.00 0.00 174.94 174.13 1i40 s ASP 33 N 0.55 7.16 0.45 3.58 2.15 0.05 -4.94 116.67 125.67 1i40 s ASP 33 Ca 0.58 1.42 0.13 0.00 0.43 0.00 0.00 52.55 55.11 1i40 s ASP 33 Cb -0.36 -2.52 1.04 0.00 -0.30 0.00 0.00 42.92 40.78 1i40 s ASP 33 CO 0.36 -0.40 2.02 0.50 -0.17 0.00 0.00 175.17 177.48 1i40 h LYS 34 N 7.11 0.36 0.06 4.34 3.64 -1.94 0.65 116.57 130.79 1i40 h LYS 34 Ca -0.32 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1i40 h LYS 34 Cb 1.15 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1i40 h LYS 34 CO 0.84 0.24 -0.36 0.93 -2.27 0.00 0.00 179.45 178.82 1i40 h GLU 35 N 0.37 0.15 0.00 1.90 5.08 -1.97 -3.38 114.58 116.72 1i40 h GLU 35 Ca 0.20 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 1i40 h GLU 35 Cb 0.34 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1i40 h GLU 35 CO -0.05 1.08 -1.97 -1.13 -1.00 0.00 0.00 179.01 175.95 1i40 n SER 36 N -4.40 0.21 0.00 1.42 3.41 -1.20 -4.97 113.62 108.10 1i40 n SER 36 Ca -0.11 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1i40 n SER 36 Cb 0.62 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 1i40 n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1i40 n GLY 37 N 1.45 0.88 3.87 5.00 0.00 0.22 -5.02 105.19 111.59 1i40 n GLY 37 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1i40 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i40 s ALA 38 N -3.53 3.35 -0.37 4.61 0.00 -1.26 -4.73 121.76 119.83 1i40 s ALA 38 Ca 0.00 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 51.52 1i40 s ALA 38 Cb 0.00 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.43 1i40 s ALA 38 CO 0.00 0.02 0.87 -1.17 0.00 0.00 0.00 175.76 175.48 1i40 s LEU 39 N -3.78 4.05 0.03 0.00 2.96 -1.26 -0.77 118.68 119.91 1i40 s LEU 39 Ca 0.51 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.90 1i40 s LEU 39 Cb -0.10 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 1i40 s LEU 39 CO 0.30 -0.81 0.14 -0.36 -1.32 0.00 0.00 176.35 174.31 1i40 s PHE 40 N 3.32 3.40 -0.10 5.38 0.40 -0.31 -4.93 117.98 125.15 1i40 s PHE 40 Ca 0.35 0.23 -0.30 0.00 -0.60 0.00 0.00 56.93 56.62 1i40 s PHE 40 Cb -0.12 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.64 1i40 s PHE 40 CO 0.18 0.58 1.28 0.08 0.70 0.00 0.00 175.22 178.04 1i40 s VAL 41 N -1.36 4.16 -0.13 -0.44 1.01 -1.26 -0.82 120.40 121.55 1i40 s VAL 41 Ca 0.29 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 63.58 1i40 s VAL 41 Cb -0.12 -3.93 -0.25 0.00 0.00 0.00 0.00 36.38 32.07 1i40 s VAL 41 CO 0.21 -0.07 0.41 0.44 0.00 0.00 0.00 175.10 176.10 1i40 h ASP 42 N 7.97 0.30 -4.46 3.32 5.19 -0.98 -3.48 116.42 124.28 1i40 h ASP 42 Ca -0.31 -0.80 -0.08 0.00 -0.62 0.00 0.00 57.03 55.21 1i40 h ASP 42 Cb 1.14 -0.10 -0.21 0.00 0.18 0.00 0.00 39.33 40.34 1i40 h ASP 42 CO 0.93 1.66 -0.02 -0.60 -3.12 0.00 0.00 179.24 178.09 1i40 s ARG 43 N -2.47 0.78 -0.47 3.56 6.06 -1.05 -5.01 118.95 120.35 1i40 s ARG 43 Ca -0.23 0.44 -0.18 0.00 -2.50 0.00 0.00 55.73 53.26 1i40 s ARG 43 Cb 0.05 0.37 0.05 0.00 0.06 0.00 0.00 34.95 35.48 1i40 s ARG 43 CO 0.72 -0.17 0.53 -0.06 -2.50 0.00 0.00 175.30 173.82 1i40 s PHE 44 N -0.46 3.12 0.44 5.12 0.08 -1.26 -0.72 117.98 124.29 1i40 s PHE 44 Ca -0.06 -0.51 -0.25 0.00 0.12 0.00 0.00 56.93 56.23 1i40 s PHE 44 Cb -0.03 -3.25 -0.08 0.00 -0.57 0.00 0.00 43.02 39.09 1i40 s PHE 44 CO 0.04 -0.87 1.28 -1.64 -0.10 0.00 0.00 175.22 173.93 1i40 s MET 45 N 2.33 3.82 0.13 0.44 -1.94 -0.88 -4.93 119.30 118.26 1i40 s MET 45 Ca 0.13 2.08 0.11 0.00 -1.71 0.00 0.00 55.69 56.30 1i40 s MET 45 Cb -0.19 -2.62 -0.14 0.00 2.01 0.00 0.00 34.83 33.89 1i40 s MET 45 CO 0.12 -0.59 1.18 0.77 -0.01 0.00 0.00 175.02 176.48 1i40 h SER 46 N 2.38 0.00 -3.88 3.03 0.02 -1.91 -3.46 113.55 109.73 1i40 h SER 46 Ca -0.50 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 59.99 1i40 h SER 46 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 1i40 h SER 46 CO 0.61 0.84 0.21 0.42 -1.14 0.00 0.00 176.83 177.78 1i40 s THR 47 N -2.77 4.54 -1.41 -2.27 -4.23 -1.26 -4.96 115.64 103.27 1i40 s THR 47 Ca 0.00 1.20 -0.09 0.00 -1.18 0.00 0.00 61.69 61.63 1i40 s THR 47 Cb 0.09 -3.61 0.06 0.00 1.34 0.00 0.00 72.50 70.39 1i40 s THR 47 CO 0.80 -0.24 2.39 0.00 -0.54 0.00 0.00 174.62 177.03 1i40 n ALA 48 N -0.49 6.47 -2.34 3.99 0.00 -1.26 -4.88 120.51 122.01 1i40 n ALA 48 Ca 0.05 -3.97 -0.16 0.00 0.00 0.00 0.00 53.44 49.36 1i40 n ALA 48 Cb 0.54 -3.10 -0.10 0.00 0.00 0.00 0.00 19.45 16.79 1i40 n ALA 48 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1i40 s MET 49 N 0.74 1.13 0.04 0.00 -1.94 -1.26 -5.16 119.30 112.84 1i40 s MET 49 Ca 0.54 -1.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.10 1i40 s MET 49 Cb 0.16 -0.83 -0.02 0.00 2.01 0.00 0.00 34.83 36.14 1i40 s MET 49 CO -0.06 0.13 -0.09 -0.59 -0.01 0.00 0.00 175.02 174.40 1i40 s PHE 50 N -2.94 0.75 0.20 -0.03 -0.12 -1.26 -4.52 117.98 110.06 1i40 s PHE 50 Ca 0.16 -0.41 -0.32 0.00 -0.05 0.00 0.00 56.93 56.31 1i40 s PHE 50 Cb -0.00 -0.45 -0.12 0.00 -0.63 0.00 0.00 43.02 41.82 1i40 s PHE 50 CO 0.03 -0.04 1.71 0.66 -0.05 0.00 0.00 175.22 177.53 1i40 n TYR 51 N 1.74 2.70 0.51 3.49 4.02 -1.26 -4.87 117.16 123.49 1i40 n TYR 51 Ca -0.20 0.06 0.13 0.00 -0.01 0.00 0.00 57.90 57.87 1i40 n TYR 51 Cb 0.55 -2.66 0.44 0.00 -0.02 0.00 0.00 39.34 37.65 1i40 n TYR 51 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1i40 h PRO 52 N 6.72 0.00 -4.49 -0.72 0.11 -1.93 -3.33 132.00 128.36 1i40 h PRO 52 Ca -0.43 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.44 1i40 h PRO 52 Cb 1.21 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 1i40 h PRO 52 CO 0.95 0.00 -0.54 0.00 -0.21 0.00 0.00 178.00 178.20 1i40 n ASN 54 N -0.40 2.53 -3.95 0.00 3.02 -1.08 -4.09 115.26 111.30 1i40 n ASN 54 Ca 0.02 0.94 -0.18 0.00 -0.03 0.00 0.00 54.58 55.34 1i40 n ASN 54 Cb 0.65 -1.57 -0.15 0.00 -0.61 0.00 0.00 39.78 38.10 1i40 n ASN 54 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1i40 s TYR 55 N -1.31 0.61 0.00 3.10 5.04 0.17 -0.71 117.35 124.25 1i40 s TYR 55 Ca 0.74 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 55.24 1i40 s TYR 55 Cb -0.41 -0.45 0.00 0.00 0.35 0.00 0.00 41.96 41.45 1i40 s TYR 55 CO 0.47 -0.07 0.00 0.41 -1.34 0.00 0.00 175.55 175.03 1i40 n GLY 56 N 3.30 2.32 3.36 8.97 0.00 -0.14 -0.50 105.19 122.49 1i40 n GLY 56 Ca -0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1i40 n GLY 56 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i40 s TYR 57 N -0.11 0.23 -0.31 1.61 1.13 -0.59 -1.07 117.35 118.23 1i40 s TYR 57 Ca 0.00 -0.59 -0.15 0.00 -1.41 0.00 0.00 57.07 54.91 1i40 s TYR 57 Cb 0.00 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.89 1i40 s TYR 57 CO 0.00 -0.74 0.38 0.42 -2.51 0.00 0.00 175.55 173.10 1i40 s ILE 58 N -3.93 5.16 0.76 -3.49 1.01 -0.63 -0.75 121.20 119.33 1i40 s ILE 58 Ca 0.13 0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.95 1i40 s ILE 58 Cb 0.02 -3.78 0.05 0.00 0.01 0.00 0.00 42.46 38.77 1i40 s ILE 58 CO -0.02 0.01 1.15 0.21 0.00 0.00 0.00 174.94 176.29 1i40 s ASN 59 N 1.70 4.21 -1.45 3.58 2.47 -1.26 -3.42 114.94 120.77 1i40 s ASN 59 Ca 0.14 2.15 -0.01 0.00 0.42 0.00 0.00 52.86 55.56 1i40 s ASN 59 Cb -0.16 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 1i40 s ASN 59 CO 0.11 -2.24 0.09 1.41 -3.72 0.00 0.00 177.10 172.75 1i40 n HIS 60 N -3.08 -0.96 -4.31 0.43 8.25 -1.26 -3.61 115.22 110.67 1i40 n HIS 60 Ca 0.12 0.07 -0.23 0.00 -0.26 0.00 0.00 57.72 57.42 1i40 n HIS 60 Cb 0.51 -3.55 -0.12 0.00 1.12 0.00 0.00 29.99 27.96 1i40 n HIS 60 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1i40 s THR 61 N -2.90 1.78 -0.21 1.59 -4.23 -1.22 -4.58 115.64 105.87 1i40 s THR 61 Ca 0.04 -1.75 -0.04 0.00 -1.18 0.00 0.00 61.69 58.76 1i40 s THR 61 Cb -0.02 -1.72 0.07 0.00 1.34 0.00 0.00 72.50 72.17 1i40 s THR 61 CO 0.05 -0.20 0.10 -0.22 -0.54 0.00 0.00 174.62 173.81 1i40 s LEU 62 N -2.32 0.49 0.73 4.79 2.96 -0.06 -3.59 118.68 121.68 1i40 s LEU 62 Ca 0.12 -0.83 -0.08 0.00 -0.22 0.00 0.00 54.13 53.12 1i40 s LEU 62 Cb -0.08 -0.31 0.07 0.00 0.50 0.00 0.00 46.19 46.37 1i40 s LEU 62 CO 0.06 -0.37 1.05 -0.44 -1.32 0.00 0.00 176.35 175.32 1i40 s SER 63 N 2.10 4.72 0.62 3.68 0.01 0.11 -4.41 113.70 120.53 1i40 s SER 63 Ca 0.04 0.49 0.39 0.00 1.31 0.00 0.00 55.95 58.18 1i40 s SER 63 Cb -0.16 -1.10 2.06 0.00 0.21 0.00 0.00 66.02 67.03 1i40 s SER 63 CO -0.17 -1.68 2.26 -0.07 0.41 0.00 0.00 173.24 174.00 1i40 h LEU 64 N -0.70 0.00 -0.01 2.44 3.38 -1.96 -1.39 115.31 117.07 1i40 h LEU 64 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1i40 h LEU 64 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1i40 h LEU 64 CO 0.60 0.02 0.00 -0.90 0.09 0.00 0.00 178.44 178.25 1i40 n ASP 65 N -3.28 0.02 0.00 -0.43 3.85 -1.26 -4.90 116.55 110.55 1i40 n ASP 65 Ca -0.02 -1.04 0.00 0.00 -0.71 0.00 0.00 54.79 53.01 1i40 n ASP 65 Cb 0.13 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 1i40 n ASP 65 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i40 n GLY 66 N 0.98 0.90 3.63 6.12 0.00 -0.52 -5.05 105.19 111.24 1i40 n GLY 66 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1i40 n GLY 66 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i40 s ASP 67 N -2.86 4.31 0.90 1.61 1.01 -1.26 -4.83 116.67 115.55 1i40 s ASP 67 Ca 0.00 -0.82 -0.11 0.00 0.71 0.00 0.00 52.55 52.33 1i40 s ASP 67 Cb 0.00 -0.66 0.13 0.00 1.01 0.00 0.00 42.92 43.40 1i40 s ASP 67 CO 0.00 -0.10 1.12 -2.65 0.21 0.00 0.00 175.17 173.75 1i40 n PRO 68 N -0.91 -0.32 -1.72 8.23 -0.02 -1.24 -0.71 135.00 138.32 1i40 n PRO 68 Ca -0.05 -0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 1i40 n PRO 68 Cb 0.60 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1i40 n PRO 68 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1i40 n VAL 69 N -4.01 0.19 -3.16 -1.45 0.31 -1.26 -4.75 118.33 104.20 1i40 n VAL 69 Ca 0.12 -0.05 -0.39 0.00 -0.01 0.00 0.00 64.34 64.01 1i40 n VAL 69 Cb 0.52 -1.95 -0.05 0.00 -0.91 0.00 0.00 33.84 31.44 1i40 n VAL 69 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1i40 s ASP 70 N 1.03 7.00 -0.01 4.52 1.01 -1.26 -1.61 116.67 127.35 1i40 s ASP 70 Ca 0.73 1.19 0.01 0.00 0.71 0.00 0.00 52.55 55.19 1i40 s ASP 70 Cb -0.51 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.04 1i40 s ASP 70 CO 0.36 0.06 -0.01 -0.69 0.21 0.00 0.00 175.17 175.09 1i40 s VAL 71 N -0.02 0.17 -0.15 -1.27 1.01 -0.24 -1.43 120.40 118.48 1i40 s VAL 71 Ca 0.33 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 62.16 1i40 s VAL 71 Cb -0.18 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1i40 s VAL 71 CO 0.18 0.08 0.26 -0.76 0.00 0.00 0.00 175.10 174.86 1i40 s LEU 72 N 0.33 4.28 -0.26 3.92 1.43 0.25 -0.97 118.68 127.66 1i40 s LEU 72 Ca -0.03 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1i40 s LEU 72 Cb -0.05 -2.31 0.07 0.00 0.03 0.00 0.00 46.19 43.93 1i40 s LEU 72 CO -0.01 0.17 -0.01 -0.69 0.23 0.00 0.00 176.35 176.05 1i40 s VAL 73 N 0.12 1.50 0.31 -1.59 1.01 0.11 -1.19 120.40 120.67 1i40 s VAL 73 Ca 0.16 -1.42 -0.29 0.00 0.00 0.00 0.00 61.98 60.43 1i40 s VAL 73 Cb -0.13 -1.89 -0.10 0.00 0.00 0.00 0.00 36.38 34.26 1i40 s VAL 73 CO 0.04 -0.29 1.19 -2.16 0.00 0.00 0.00 175.10 173.87 1i40 s PRO 74 N 1.37 4.50 0.12 2.72 0.04 -1.25 -2.63 135.00 139.86 1i40 s PRO 74 Ca -0.00 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 62.97 1i40 s PRO 74 Cb -0.19 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.21 1i40 s PRO 74 CO -0.10 0.03 0.12 0.95 0.04 0.00 0.00 177.00 178.04 1i40 s THR 75 N -1.16 0.12 0.27 1.26 -4.23 -1.26 -4.31 115.64 106.33 1i40 s THR 75 Ca 0.47 -1.63 0.16 0.00 -1.18 0.00 0.00 61.69 59.51 1i40 s THR 75 Cb -0.35 -1.77 0.10 0.00 1.34 0.00 0.00 72.50 71.82 1i40 s THR 75 CO 0.46 -0.55 1.76 1.55 -0.54 0.00 0.00 174.62 177.30 1i40 h PRO 76 N 2.81 0.00 -4.07 3.99 0.13 -2.05 -3.44 132.00 129.38 1i40 h PRO 76 Ca -0.34 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.58 1i40 h PRO 76 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 1i40 h PRO 76 CO 0.57 0.41 -0.71 0.71 -0.23 0.00 0.00 178.00 178.74 1i40 s TYR 77 N -3.83 0.31 0.43 1.56 2.02 -1.26 -5.14 117.35 111.44 1i40 s TYR 77 Ca -0.01 -0.41 -0.25 0.00 -0.37 0.00 0.00 57.07 56.03 1i40 s TYR 77 Cb 0.13 -0.21 -0.08 0.00 -0.40 0.00 0.00 41.96 41.40 1i40 s TYR 77 CO 0.70 -0.13 1.30 -2.14 -1.57 0.00 0.00 175.55 173.71 1i40 s PRO 78 N -1.17 3.81 0.56 -1.71 0.02 -1.26 -4.99 135.00 130.26 1i40 s PRO 78 Ca -0.11 2.12 -0.05 0.00 0.02 0.00 0.00 61.00 62.98 1i40 s PRO 78 Cb -0.08 -2.63 -0.00 0.00 0.02 0.00 0.00 34.50 31.80 1i40 s PRO 78 CO -0.01 -0.61 0.86 -0.51 -0.33 0.00 0.00 177.00 176.40 1i40 s LEU 79 N -2.68 3.35 0.10 -5.54 1.43 -1.26 -4.96 118.68 109.13 1i40 s LEU 79 Ca 0.60 0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 54.16 1i40 s LEU 79 Cb -0.37 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.18 1i40 s LEU 79 CO 0.47 -0.92 0.92 -1.10 0.23 0.00 0.00 176.35 175.95 1i40 s GLN 80 N -4.91 4.67 0.28 1.70 -1.52 -1.26 -4.42 119.66 114.20 1i40 s GLN 80 Ca 0.52 1.38 -0.30 0.00 -1.95 0.00 0.00 55.36 55.01 1i40 s GLN 80 Cb -0.10 -3.37 -0.12 0.00 -0.22 0.00 0.00 33.01 29.19 1i40 s GLN 80 CO 0.45 0.24 1.51 -2.30 -0.25 0.00 0.00 175.29 174.94 1i40 n PRO 81 N 2.72 2.43 -0.10 2.91 -0.02 -1.26 -1.62 135.00 140.06 1i40 n PRO 81 Ca 0.01 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1i40 n PRO 81 Cb 0.49 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1i40 n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i40 n GLY 82 N 2.02 1.30 3.91 -1.23 0.00 0.14 -5.00 105.19 106.32 1i40 n GLY 82 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1i40 n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i40 s SER 83 N -2.97 5.17 -0.08 1.61 1.04 -0.64 -4.78 113.70 113.05 1i40 s SER 83 Ca 0.00 0.80 0.03 0.00 0.48 0.00 0.00 55.95 57.26 1i40 s SER 83 Cb 0.00 -1.56 0.01 0.00 0.10 0.00 0.00 66.02 64.57 1i40 s SER 83 CO 0.00 -1.43 -0.18 -0.69 0.98 0.00 0.00 173.24 171.92 1i40 s VAL 84 N -3.28 1.58 -0.06 5.02 1.01 -1.26 -0.63 120.40 122.79 1i40 s VAL 84 Ca 0.58 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.85 1i40 s VAL 84 Cb -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1i40 s VAL 84 CO 0.48 0.45 -0.17 0.28 0.00 0.00 0.00 175.10 176.14 1i40 s THR 85 N 0.45 1.46 0.09 3.92 -1.32 -0.35 -4.95 115.64 114.94 1i40 s THR 85 Ca -0.15 -0.71 -0.30 0.00 -1.21 0.00 0.00 61.69 59.32 1i40 s THR 85 Cb -0.16 -1.27 -0.06 0.00 -1.51 0.00 0.00 72.50 69.50 1i40 s THR 85 CO 0.06 0.42 1.17 -0.60 -2.21 0.00 0.00 174.62 173.46 1i40 s ARG 86 N 0.24 4.47 0.29 7.08 3.52 -1.26 -1.06 118.95 132.24 1i40 s ARG 86 Ca -0.09 1.75 -0.08 0.00 -0.13 0.00 0.00 55.73 57.19 1i40 s ARG 86 Cb -0.14 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 1i40 s ARG 86 CO 0.04 -0.17 0.47 0.00 -0.81 0.00 0.00 175.30 174.83 1i40 s ARG 88 N -3.51 0.70 0.37 0.00 3.52 0.11 -1.43 118.95 118.71 1i40 s ARG 88 Ca 0.26 0.06 -0.27 0.00 -0.13 0.00 0.00 55.73 55.65 1i40 s ARG 88 Cb -0.00 -1.00 -0.09 0.00 -1.56 0.00 0.00 34.95 32.29 1i40 s ARG 88 CO 0.14 -0.27 1.22 -1.25 -0.81 0.00 0.00 175.30 174.33 1i40 s PRO 89 N 1.83 4.20 0.00 5.12 0.04 -1.26 -1.03 135.00 143.90 1i40 s PRO 89 Ca 0.03 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1i40 s PRO 89 Cb -0.12 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.55 1i40 s PRO 89 CO -0.05 -0.24 0.00 1.33 0.04 0.00 0.00 177.00 178.08 1i40 n VAL 90 N 0.44 0.00 0.00 -0.36 0.24 -0.23 -4.88 118.33 113.54 1i40 n VAL 90 Ca 0.02 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1i40 n VAL 90 Cb 0.44 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 1i40 n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i40 n GLY 91 N 0.62 -0.24 3.31 7.63 0.00 -1.16 -1.59 105.19 113.76 1i40 n GLY 91 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1i40 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i40 s VAL 92 N -2.00 -0.01 -0.29 1.61 0.11 -0.61 -0.95 120.40 118.26 1i40 s VAL 92 Ca 0.00 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 1i40 s VAL 92 Cb 0.00 -0.61 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1i40 s VAL 92 CO 0.00 0.01 0.19 -0.22 -3.33 0.00 0.00 175.10 171.76 1i40 s LEU 93 N 0.61 4.09 0.20 2.54 2.96 -0.01 -0.45 118.68 128.61 1i40 s LEU 93 Ca -0.03 -0.09 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 1i40 s LEU 93 Cb -0.05 -2.12 -0.08 0.00 0.50 0.00 0.00 46.19 44.45 1i40 s LEU 93 CO -0.04 -0.08 0.66 -0.54 -1.32 0.00 0.00 176.35 175.03 1i40 s LYS 94 N 1.75 4.14 0.18 1.98 -0.14 0.09 -0.86 119.74 126.87 1i40 s LYS 94 Ca 0.07 0.72 -0.20 0.00 -1.36 0.00 0.00 55.97 55.20 1i40 s LYS 94 Cb -0.16 -2.87 0.04 0.00 -1.68 0.00 0.00 37.83 33.16 1i40 s LYS 94 CO 0.11 0.41 0.55 0.00 -0.76 0.00 0.00 175.35 175.66 1i40 s MET 95 N -2.03 1.33 -0.10 1.68 0.23 -1.26 -0.95 119.30 118.21 1i40 s MET 95 Ca 0.42 -0.70 0.01 0.00 -1.03 0.00 0.00 55.69 54.39 1i40 s MET 95 Cb -0.16 0.55 -0.02 0.00 -1.53 0.00 0.00 34.83 33.67 1i40 s MET 95 CO 0.20 -0.57 -0.14 0.99 -2.03 0.00 0.00 175.02 173.47 1i40 s THR 96 N -3.82 3.01 0.04 3.16 2.01 -0.16 -1.70 115.64 118.17 1i40 s THR 96 Ca 0.05 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1i40 s THR 96 Cb -0.01 -2.23 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 1i40 s THR 96 CO -0.07 0.55 0.01 -0.90 -0.69 0.00 0.00 174.62 173.52 1i40 n ASP 97 N 3.07 1.27 0.31 3.53 5.68 -0.03 -0.34 116.55 130.05 1i40 n ASP 97 Ca -0.18 -1.19 0.19 0.00 -0.50 0.00 0.00 54.79 53.11 1i40 n ASP 97 Cb 0.53 0.07 0.99 0.00 -1.14 0.00 0.00 41.12 41.56 1i40 n ASP 97 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1i40 h GLU 98 N 0.00 0.00 0.00 0.11 9.09 -1.91 -1.91 114.58 119.97 1i40 h GLU 98 Ca -0.03 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.38 1i40 h GLU 98 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1i40 h GLU 98 CO 0.05 0.02 -1.28 0.00 0.05 0.00 0.00 179.01 177.85 1i40 n ALA 99 N -2.16 4.04 0.00 1.06 0.00 -1.26 -5.07 120.51 117.12 1i40 n ALA 99 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1i40 n ALA 99 Cb 0.15 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1i40 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i40 n GLY 100 N 1.42 0.84 3.77 0.00 0.00 -0.72 -5.08 105.19 105.42 1i40 n GLY 100 Ca 0.02 -1.83 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 1i40 n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i40 s GLU 101 N -2.00 3.94 -0.38 1.61 0.41 -1.26 -0.85 118.70 120.17 1i40 s GLU 101 Ca 0.00 2.06 0.04 0.00 -0.41 0.00 0.00 54.97 56.66 1i40 s GLU 101 Cb 0.00 -2.70 0.18 0.00 -1.78 0.00 0.00 34.13 29.84 1i40 s GLU 101 CO 0.00 -0.48 0.72 0.34 -0.49 0.00 0.00 175.26 175.35 1i40 s ASP 102 N -0.88 -1.28 0.34 -0.19 2.15 -0.69 -4.79 116.67 111.33 1i40 s ASP 102 Ca 0.58 -0.56 -0.27 0.00 0.43 0.00 0.00 52.55 52.73 1i40 s ASP 102 Cb -0.36 1.65 -0.09 0.00 -0.30 0.00 0.00 42.92 43.82 1i40 s ASP 102 CO 0.45 -0.15 1.13 0.00 -0.17 0.00 0.00 175.17 176.44 1i40 s ALA 103 N 1.98 3.28 -0.28 3.66 0.00 -1.26 -4.49 121.76 124.65 1i40 s ALA 103 Ca 0.16 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.06 1i40 s ALA 103 Cb -0.03 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.80 1i40 s ALA 103 CO -0.10 -0.34 -0.07 0.15 0.00 0.00 0.00 175.76 175.40 1i40 s LYS 104 N -1.93 2.16 0.67 0.00 -0.14 -0.04 -4.45 119.74 116.01 1i40 s LYS 104 Ca 0.51 -1.42 -0.11 0.00 -1.36 0.00 0.00 55.97 53.59 1i40 s LYS 104 Cb -0.31 -2.99 -0.01 0.00 -1.68 0.00 0.00 37.83 32.85 1i40 s LYS 104 CO 0.39 -0.64 1.05 -0.51 -0.76 0.00 0.00 175.35 174.89 1i40 s LEU 105 N 1.09 3.16 -0.12 3.17 1.02 -0.51 -0.83 118.68 125.66 1i40 s LEU 105 Ca -0.05 1.57 0.03 0.00 0.02 0.00 0.00 54.13 55.69 1i40 s LEU 105 Cb -0.20 -4.49 0.00 0.00 0.02 0.00 0.00 46.19 41.52 1i40 s LEU 105 CO -0.05 -1.29 -0.22 -0.69 0.02 0.00 0.00 176.35 174.12 1i40 s VAL 106 N -3.07 2.21 -0.00 -1.59 1.01 -0.13 -0.58 120.40 118.24 1i40 s VAL 106 Ca 0.57 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1i40 s VAL 106 Cb -0.13 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1i40 s VAL 106 CO 0.55 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 176.10 1i40 s ALA 107 N 0.50 0.78 0.13 5.51 0.00 -0.34 -1.06 121.76 127.28 1i40 s ALA 107 Ca -0.14 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1i40 s ALA 107 Cb -0.17 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1i40 s ALA 107 CO 0.05 0.18 0.13 0.14 0.00 0.00 0.00 175.76 176.26 1i40 s VAL 108 N -0.29 4.58 0.20 0.00 -7.23 -0.20 -3.96 120.40 113.51 1i40 s VAL 108 Ca 0.03 -0.92 -0.32 0.00 -1.81 0.00 0.00 61.98 58.96 1i40 s VAL 108 Cb -0.04 -3.29 -0.15 0.00 0.56 0.00 0.00 36.38 33.46 1i40 s VAL 108 CO -0.00 -0.01 1.21 -2.65 -0.31 0.00 0.00 175.10 173.33 1i40 n PRO 109 N -0.05 1.40 -1.85 4.82 -0.02 -1.26 -0.71 135.00 137.33 1i40 n PRO 109 Ca -0.08 0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 61.52 1i40 n PRO 109 Cb 0.53 -2.02 0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1i40 n PRO 109 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1i40 s HIS 110 N -0.24 2.28 0.54 6.00 2.46 -0.63 -4.70 115.29 121.00 1i40 s HIS 110 Ca 0.70 1.45 0.28 0.00 0.47 0.00 0.00 55.06 57.96 1i40 s HIS 110 Cb -0.79 -3.68 1.45 0.00 -0.13 0.00 0.00 32.58 29.43 1i40 s HIS 110 CO 0.52 -2.68 1.94 1.03 -2.47 0.00 0.00 174.74 173.08 1i40 h SER 111 N 1.11 0.00 0.64 9.88 0.87 -1.91 -0.10 113.55 124.04 1i40 h SER 111 Ca -0.51 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 59.98 1i40 h SER 111 Cb 1.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.26 1i40 h SER 111 CO 0.56 0.00 -0.36 0.11 -0.53 0.00 0.00 176.83 176.60 1i40 h LYS 112 N 0.00 0.00 0.03 2.24 1.79 -1.97 -2.98 116.57 115.68 1i40 h LYS 112 Ca 0.31 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.55 1i40 h LYS 112 Cb 1.30 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1i40 h LYS 112 CO -0.00 0.36 -1.10 -0.07 -1.08 0.00 0.00 179.45 177.56 1i40 h LEU 113 N 0.00 0.10 -7.00 2.94 4.07 -1.36 -3.48 115.31 110.58 1i40 h LEU 113 Ca -0.00 -0.12 0.21 0.00 0.08 0.00 0.00 57.88 58.05 1i40 h LEU 113 Cb 0.78 -0.03 -0.26 0.00 1.08 0.00 0.00 40.66 42.24 1i40 h LEU 113 CO 0.05 1.09 0.85 -0.55 -1.08 0.00 0.00 178.44 178.80 1i40 s SER 114 N -6.79 -0.12 0.00 -0.43 0.15 -1.12 -5.01 113.70 100.37 1i40 s SER 114 Ca -0.01 0.12 0.28 0.00 0.70 0.00 0.00 55.95 57.05 1i40 s SER 114 Cb 0.09 0.10 1.16 0.00 -1.71 0.00 0.00 66.02 65.67 1i40 s SER 114 CO 0.84 -0.12 1.84 2.29 1.20 0.00 0.00 173.24 179.28 1i40 n LYS 115 N 0.50 0.35 -0.32 5.44 2.85 -1.26 -3.94 118.16 121.80 1i40 n LYS 115 Ca -0.02 -0.10 0.12 0.00 -1.05 0.00 0.00 58.31 57.26 1i40 n LYS 115 Cb 0.59 -1.50 0.29 0.00 -0.65 0.00 0.00 35.03 33.76 1i40 n LYS 115 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1i40 h GLU 116 N 0.24 0.55 -0.54 -1.58 4.81 -1.93 -2.16 114.58 113.96 1i40 h GLU 116 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1i40 h GLU 116 Cb 0.41 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1i40 h GLU 116 CO 0.00 0.36 0.00 0.66 -0.73 0.00 0.00 179.01 179.30 1i40 n TYR 117 N -4.92 0.72 0.05 0.92 4.02 -1.26 -4.50 117.16 112.19 1i40 n TYR 117 Ca 0.21 -0.45 0.09 0.00 -0.01 0.00 0.00 57.90 57.75 1i40 n TYR 117 Cb 0.58 -0.01 0.54 0.00 -0.02 0.00 0.00 39.34 40.43 1i40 n TYR 117 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1i40 h ASP 118 N 3.54 0.25 0.73 7.72 3.32 -1.67 -0.78 116.42 129.52 1i40 h ASP 118 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i40 h ASP 118 Cb 0.89 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.39 1i40 h ASP 118 CO 0.00 0.17 0.00 1.12 -1.72 0.00 0.00 179.24 178.81 1i40 h HIS 119 N 0.28 0.00 -3.07 4.55 2.07 -1.80 -3.39 115.15 113.80 1i40 h HIS 119 Ca 0.16 0.00 -0.65 0.00 -2.85 0.00 0.00 60.37 57.02 1i40 h HIS 119 Cb 0.26 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 30.09 1i40 h HIS 119 CO -0.00 0.00 0.32 0.42 -3.07 0.00 0.00 177.93 175.60 1i40 s ILE 120 N -3.50 4.60 -0.14 6.12 1.01 -0.30 -4.84 121.20 124.14 1i40 s ILE 120 Ca 0.02 -0.28 0.16 0.00 0.00 0.00 0.00 60.65 60.55 1i40 s ILE 120 Cb 0.09 -4.48 -0.23 0.00 0.01 0.00 0.00 42.46 37.85 1i40 s ILE 120 CO 0.43 -1.08 0.13 0.29 0.00 0.00 0.00 174.94 174.71 1i40 n LYS 121 N 6.93 1.02 -3.97 2.79 4.76 -1.26 -4.97 118.16 123.46 1i40 n LYS 121 Ca -0.04 -0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.25 1i40 n LYS 121 Cb 0.46 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 32.17 1i40 n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1i40 s ASP 122 N -4.96 0.33 0.38 4.39 -1.08 -1.26 -4.82 116.67 109.65 1i40 s ASP 122 Ca -0.08 -1.20 0.10 0.00 -0.52 0.00 0.00 52.55 50.85 1i40 s ASP 122 Cb 0.07 0.71 0.77 0.00 -1.46 0.00 0.00 42.92 43.01 1i40 s ASP 122 CO 0.73 -1.39 1.90 1.62 0.52 0.00 0.00 175.17 178.56 1i40 h VAL 123 N 2.10 1.19 0.00 1.11 3.04 -1.61 0.28 116.25 122.36 1i40 h VAL 123 Ca -0.28 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.55 1i40 h VAL 123 Cb 1.25 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.81 1i40 h VAL 123 CO 0.37 0.26 0.00 0.78 -1.01 0.00 0.00 177.57 177.98 1i40 h ASN 124 N 0.19 0.00 1.03 3.17 2.35 -1.96 -2.55 115.58 117.81 1i40 h ASN 124 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1i40 h ASN 124 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1i40 h ASN 124 CO 0.03 0.00 -0.50 0.44 -1.65 0.00 0.00 177.43 175.75 1i40 h ASP 125 N 0.00 0.00 -3.96 5.81 3.32 -1.31 -3.46 116.42 116.83 1i40 h ASP 125 Ca 0.00 -0.15 -0.52 0.00 0.02 0.00 0.00 57.03 56.38 1i40 h ASP 125 Cb 0.32 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.94 1i40 h ASP 125 CO 0.00 0.08 0.56 -0.76 -1.72 0.00 0.00 179.24 177.39 1i40 s LEU 126 N -4.41 4.16 0.31 1.55 1.43 -0.96 -4.87 118.68 115.89 1i40 s LEU 126 Ca 0.07 2.50 -0.29 0.00 -1.03 0.00 0.00 54.13 55.38 1i40 s LEU 126 Cb 0.13 -4.01 -0.12 0.00 0.03 0.00 0.00 46.19 42.22 1i40 s LEU 126 CO 0.70 -0.84 1.41 -2.65 0.23 0.00 0.00 176.35 175.20 1i40 n PRO 127 N -0.03 2.30 -0.36 1.29 -0.02 -1.26 -4.88 135.00 132.03 1i40 n PRO 127 Ca 0.05 0.81 0.03 0.00 -2.02 0.00 0.00 63.50 62.36 1i40 n PRO 127 Cb 0.45 -2.47 0.17 0.00 -0.02 0.00 0.00 33.50 31.63 1i40 n PRO 127 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1i40 h GLU 128 N 3.46 1.12 -0.65 -0.52 4.57 -1.92 -2.04 114.58 118.60 1i40 h GLU 128 Ca -0.47 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 1i40 h GLU 128 Cb 1.26 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 1i40 h GLU 128 CO 0.69 0.74 0.37 1.25 -1.18 0.00 0.00 179.01 180.89 1i40 h LEU 129 N 1.16 0.80 -0.22 1.64 5.85 -1.99 -0.76 115.31 121.79 1i40 h LEU 129 Ca 0.43 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1i40 h LEU 129 Cb 0.18 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1i40 h LEU 129 CO -0.18 0.65 0.09 0.25 -0.34 0.00 0.00 178.44 178.91 1i40 h LEU 130 N 0.89 0.30 -0.73 2.25 5.85 -1.81 -0.61 115.31 121.44 1i40 h LEU 130 Ca 0.23 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1i40 h LEU 130 Cb 0.01 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1i40 h LEU 130 CO -0.04 0.39 0.48 0.11 -0.34 0.00 0.00 178.44 179.04 1i40 h LYS 131 N 0.20 0.97 -0.71 1.25 1.57 -1.11 -0.71 116.57 118.03 1i40 h LYS 131 Ca 0.07 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1i40 h LYS 131 Cb 0.18 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1i40 h LYS 131 CO -0.01 0.65 0.17 0.00 -0.57 0.00 0.00 179.45 179.69 1i40 h ALA 132 N 1.26 0.94 -0.54 3.86 0.00 -0.97 -0.84 119.26 122.97 1i40 h ALA 132 Ca 0.27 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1i40 h ALA 132 Cb -0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1i40 h ALA 132 CO -0.06 0.67 0.16 1.96 0.00 0.00 0.00 179.25 181.98 1i40 h GLN 133 N 1.08 0.85 -0.17 0.00 4.20 -0.74 -0.73 115.11 119.61 1i40 h GLN 133 Ca 0.22 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1i40 h GLN 133 Cb 0.38 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1i40 h GLN 133 CO 0.00 0.79 0.10 0.82 -0.67 0.00 0.00 178.83 179.87 1i40 h ILE 134 N 0.76 1.09 -0.66 2.54 2.04 -0.96 -0.64 117.51 121.68 1i40 h ILE 134 Ca 0.17 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1i40 h ILE 134 Cb 0.30 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1i40 h ILE 134 CO -0.00 0.09 0.37 0.00 0.00 0.00 0.00 178.15 178.61 1i40 h ALA 135 N 0.99 0.85 -0.78 1.87 0.00 -1.01 -1.88 119.26 119.30 1i40 h ALA 135 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1i40 h ALA 135 Cb 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1i40 h ALA 135 CO -0.01 0.36 0.30 1.25 0.00 0.00 0.00 179.25 181.15 1i40 h HIS 136 N 0.91 1.21 0.30 0.00 -0.00 -1.01 -0.58 115.15 115.98 1i40 h HIS 136 Ca 0.23 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1i40 h HIS 136 Cb 0.03 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 27.06 1i40 h HIS 136 CO -0.01 0.92 -0.27 0.35 -0.00 0.00 0.00 177.93 178.93 1i40 h PHE 137 N 1.15 -0.71 -0.13 5.26 3.57 -0.73 -1.81 116.94 123.53 1i40 h PHE 137 Ca 0.26 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 1i40 h PHE 137 Cb 0.24 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1i40 h PHE 137 CO 0.02 -0.39 -0.21 0.74 -2.23 0.00 0.00 178.31 176.24 1i40 h PHE 138 N -0.59 0.25 -0.23 0.41 0.04 -1.20 0.52 116.94 116.14 1i40 h PHE 138 Ca -0.02 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 1i40 h PHE 138 Cb 0.53 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 1i40 h PHE 138 CO -0.16 0.43 -0.08 1.49 -0.60 0.00 0.00 178.31 179.40 1i40 h GLU 139 N 0.21 0.35 0.00 1.51 4.57 -0.87 -3.37 114.58 116.98 1i40 h GLU 139 Ca 0.04 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1i40 h GLU 139 Cb 0.50 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1i40 h GLU 139 CO 0.03 0.44 -0.77 0.72 -1.18 0.00 0.00 179.01 178.26 1i40 n HIS 140 N -4.28 0.00 0.26 0.92 8.25 -0.70 -4.71 115.22 114.96 1i40 n HIS 140 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1i40 n HIS 140 Cb 0.26 -0.05 0.74 0.00 1.12 0.00 0.00 29.99 32.05 1i40 n HIS 140 CO 0.00 0.00 0.00 0.10 0.64 0.00 0.00 176.34 177.08 1i40 h TYR 141 N 0.00 0.00 -0.60 4.41 -0.00 -1.07 -0.89 116.97 118.81 1i40 h TYR 141 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1i40 h TYR 141 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.87 1i40 h TYR 141 CO 0.00 0.10 0.00 1.63 -0.00 0.00 0.00 178.16 179.89 1i40 n LYS 142 N -3.77 3.33 0.28 0.10 4.76 -1.26 -4.51 118.16 117.08 1i40 n LYS 142 Ca -0.02 -2.55 0.13 0.00 -2.87 0.00 0.00 58.31 53.00 1i40 n LYS 142 Cb 0.21 -1.79 0.80 0.00 -1.84 0.00 0.00 35.03 32.40 1i40 n LYS 142 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1i40 h ASP 143 N 3.73 0.00 -0.16 4.39 3.32 -1.46 -2.15 116.42 124.10 1i40 h ASP 143 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1i40 h ASP 143 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1i40 h ASP 143 CO 0.18 0.06 0.00 0.18 -1.72 0.00 0.00 179.24 177.94 1i40 n LEU 144 N -3.88 2.65 -4.48 1.55 4.77 -1.26 -4.89 117.00 111.46 1i40 n LEU 144 Ca -0.03 -1.28 -0.43 0.00 -0.03 0.00 0.00 56.01 54.25 1i40 n LEU 144 Cb 0.15 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 1i40 n LEU 144 CO 0.30 0.54 0.11 -0.70 -1.33 0.00 0.00 177.39 176.30 1i40 s GLU 145 N -1.27 3.08 0.16 3.23 2.12 -0.81 -4.98 118.70 120.24 1i40 s GLU 145 Ca 0.23 -0.81 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 1i40 s GLU 145 Cb 0.15 -3.98 -0.02 0.00 0.26 0.00 0.00 34.13 30.53 1i40 s GLU 145 CO 0.21 -0.87 1.55 -0.22 -0.54 0.00 0.00 175.26 175.39 1i40 h LYS 146 N 8.74 -0.13 -0.72 4.30 3.64 -1.90 -3.00 116.57 127.50 1i40 h LYS 146 Ca -0.27 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1i40 h LYS 146 Cb 1.11 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1i40 h LYS 146 CO 0.80 -0.08 0.00 0.41 -2.27 0.00 0.00 179.45 178.31 1i40 n GLY 147 N -1.33 2.20 3.08 5.01 0.00 -1.26 -4.86 105.19 108.02 1i40 n GLY 147 Ca 0.02 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1i40 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i40 s LYS 148 N -1.95 0.25 0.12 1.61 1.02 -1.13 -4.95 119.74 114.71 1i40 s LYS 148 Ca 0.31 0.22 -0.15 0.00 0.02 0.00 0.00 55.97 56.36 1i40 s LYS 148 Cb 0.23 0.12 0.03 0.00 -0.52 0.00 0.00 37.83 37.69 1i40 s LYS 148 CO 0.10 -0.03 0.38 1.67 -0.92 0.00 0.00 175.35 176.55 1i40 s TRP 149 N -0.01 -0.17 -0.05 3.18 1.48 -1.26 -4.75 118.94 117.35 1i40 s TRP 149 Ca -0.01 -0.16 -0.03 0.00 -1.06 0.00 0.00 56.10 54.84 1i40 s TRP 149 Cb -0.02 0.23 0.03 0.00 -1.16 0.00 0.00 33.47 32.55 1i40 s TRP 149 CO 0.00 -0.68 0.12 0.08 -4.06 0.00 0.00 176.95 172.41 1i40 s VAL 150 N -3.81 -0.04 -0.23 -0.66 1.01 -1.26 -3.03 120.40 112.38 1i40 s VAL 150 Ca 0.03 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1i40 s VAL 150 Cb 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1i40 s VAL 150 CO -0.12 0.06 -0.10 -0.54 0.00 0.00 0.00 175.10 174.41 1i40 s LYS 151 N 0.92 2.88 0.13 2.72 1.02 0.54 -4.74 119.74 123.22 1i40 s LYS 151 Ca -0.07 -0.94 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 1i40 s LYS 151 Cb -0.09 -2.88 -0.07 0.00 -0.52 0.00 0.00 37.83 34.27 1i40 s LYS 151 CO -0.04 -0.35 1.07 0.08 -0.92 0.00 0.00 175.35 175.19 1i40 s VAL 152 N 1.31 4.10 -0.23 3.17 1.01 -1.26 -0.99 120.40 127.51 1i40 s VAL 152 Ca 0.01 1.73 -0.16 0.00 0.00 0.00 0.00 61.98 63.56 1i40 s VAL 152 Cb -0.16 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 1i40 s VAL 152 CO -0.06 0.26 -0.26 -0.62 0.00 0.00 0.00 175.10 174.42 1i40 n GLU 153 N 2.79 0.56 0.00 2.72 1.02 -0.12 -4.94 120.64 122.66 1i40 n GLU 153 Ca 0.04 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1i40 n GLU 153 Cb 0.47 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1i40 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i40 n GLY 154 N 1.37 2.47 3.84 0.62 0.00 -1.03 -4.99 105.19 107.46 1i40 n GLY 154 Ca -0.36 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 1i40 n GLY 154 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i40 s TRP 155 N -2.00 3.43 0.28 1.61 0.52 -1.26 -0.73 118.94 120.78 1i40 s TRP 155 Ca 0.00 1.28 0.03 0.00 0.02 0.00 0.00 56.10 57.43 1i40 s TRP 155 Cb 0.00 -2.58 -0.06 0.00 -1.15 0.00 0.00 33.47 29.69 1i40 s TRP 155 CO 0.00 0.13 0.06 -1.21 0.02 0.00 0.00 176.95 175.95 1i40 s GLU 156 N -2.79 1.48 0.72 4.98 2.02 0.40 -4.95 118.70 120.57 1i40 s GLU 156 Ca 0.52 -1.80 -0.07 0.00 0.02 0.00 0.00 54.97 53.65 1i40 s GLU 156 Cb -0.11 -0.57 0.16 0.00 0.10 0.00 0.00 34.13 33.70 1i40 s GLU 156 CO 0.18 -0.21 0.98 0.27 0.02 0.00 0.00 175.26 176.50 1i40 n ASN 157 N -0.53 0.64 0.02 -0.19 0.23 -1.26 -1.58 115.26 112.58 1i40 n ASN 157 Ca -0.02 -1.70 -0.00 0.00 -0.53 0.00 0.00 54.58 52.33 1i40 n ASN 157 Cb 0.66 -0.70 0.30 0.00 -2.08 0.00 0.00 39.78 37.96 1i40 n ASN 157 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1i40 h ALA 158 N -1.18 1.36 -0.78 -2.53 0.00 -1.88 -1.29 119.26 112.95 1i40 h ALA 158 Ca -0.32 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1i40 h ALA 158 Cb 1.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1i40 h ALA 158 CO 0.28 0.44 0.33 0.93 0.00 0.00 0.00 179.25 181.23 1i40 h GLU 159 N 0.45 1.16 -0.76 0.00 4.39 -1.93 0.54 114.58 118.43 1i40 h GLU 159 Ca 0.09 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1i40 h GLU 159 Cb 0.37 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1i40 h GLU 159 CO 0.02 0.93 0.37 0.00 -1.16 0.00 0.00 179.01 179.16 1i40 h ALA 160 N 1.17 0.97 -0.29 3.43 0.00 -1.75 -0.16 119.26 122.63 1i40 h ALA 160 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1i40 h ALA 160 Cb 0.19 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1i40 h ALA 160 CO -0.02 0.54 0.15 0.00 0.00 0.00 0.00 179.25 179.91 1i40 h ALA 161 N 1.18 0.38 -0.80 0.00 0.00 -0.76 -2.41 119.26 116.85 1i40 h ALA 161 Ca 0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1i40 h ALA 161 Cb 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1i40 h ALA 161 CO -0.03 -0.07 0.48 0.87 0.00 0.00 0.00 179.25 180.50 1i40 h LYS 162 N 0.34 1.08 -0.80 0.00 1.57 -0.67 -1.89 116.57 116.22 1i40 h LYS 162 Ca 0.10 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1i40 h LYS 162 Cb 0.10 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1i40 h LYS 162 CO -0.01 0.75 0.38 0.00 -0.57 0.00 0.00 179.45 180.00 1i40 h ALA 163 N 1.43 1.03 -0.63 3.86 0.00 -0.83 -0.63 119.26 123.50 1i40 h ALA 163 Ca 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1i40 h ALA 163 Cb -0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1i40 h ALA 163 CO -0.05 0.60 0.36 1.49 0.00 0.00 0.00 179.25 181.64 1i40 h GLU 164 N 1.13 0.87 0.19 0.00 4.57 -0.93 0.46 114.58 120.87 1i40 h GLU 164 Ca 0.27 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1i40 h GLU 164 Cb 0.12 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1i40 h GLU 164 CO -0.03 0.65 -0.11 0.82 -1.18 0.00 0.00 179.01 179.15 1i40 h ILE 165 N 0.85 0.77 -0.25 2.32 2.04 -0.91 -1.21 117.51 121.13 1i40 h ILE 165 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 1i40 h ILE 165 Cb 0.02 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1i40 h ILE 165 CO -0.04 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.78 1i40 h VAL 166 N -0.28 1.18 -0.86 1.67 2.07 -0.97 0.86 116.25 119.91 1i40 h VAL 166 Ca -0.02 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1i40 h VAL 166 Cb 0.23 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1i40 h VAL 166 CO 0.03 0.19 0.55 0.00 0.02 0.00 0.00 177.57 178.36 1i40 h ALA 167 N 0.93 1.14 0.01 1.67 0.00 -0.86 -0.80 119.26 121.35 1i40 h ALA 167 Ca 0.08 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1i40 h ALA 167 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1i40 h ALA 167 CO -0.01 0.39 -0.89 0.77 0.00 0.00 0.00 179.25 179.51 1i40 h SER 168 N 1.07 0.19 -0.32 0.00 0.02 -1.02 -0.93 113.55 112.56 1i40 h SER 168 Ca 0.35 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1i40 h SER 168 Cb 0.02 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1i40 h SER 168 CO -0.12 0.98 0.10 0.15 -1.14 0.00 0.00 176.83 176.80 1i40 h PHE 169 N 0.07 0.52 -0.27 3.45 3.57 -0.53 0.07 116.94 123.82 1i40 h PHE 169 Ca -0.04 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.31 1i40 h PHE 169 Cb 1.54 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1i40 h PHE 169 CO 0.02 0.52 -0.27 0.93 -2.23 0.00 0.00 178.31 177.28 1i40 h GLU 170 N 0.36 0.53 -0.75 1.11 4.39 -1.10 -1.93 114.58 117.20 1i40 h GLU 170 Ca 0.10 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 1i40 h GLU 170 Cb 0.25 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 1i40 h GLU 170 CO -0.00 0.75 0.32 -0.09 -1.16 0.00 0.00 179.01 178.83 1i40 h ARG 171 N 0.46 1.09 -0.34 2.33 2.43 -1.10 -2.41 114.38 116.85 1i40 h ARG 171 Ca 0.06 -0.17 -0.14 0.00 -0.81 0.00 0.00 59.98 58.92 1i40 h ARG 171 Cb 0.71 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1i40 h ARG 171 CO 0.05 0.87 -0.34 0.00 -1.51 0.00 0.00 179.97 179.04 1i40 h ALA 172 N 1.28 0.76 -0.35 2.80 0.00 -0.97 -1.83 119.26 120.95 1i40 h ALA 172 Ca 0.25 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1i40 h ALA 172 Cb 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1i40 h ALA 172 CO -0.03 0.65 -0.21 -0.22 0.00 0.00 0.00 179.25 179.45 1i40 h LYS 173 N 0.64 0.67 -0.01 0.00 3.64 -1.12 -2.76 116.57 117.63 1i40 h LYS 173 Ca 0.06 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1i40 h LYS 173 Cb 0.88 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1i40 h LYS 173 CO 0.08 0.83 -0.34 0.09 -2.27 0.00 0.00 179.45 177.84 1i40 n ASN 174 N -4.13 0.86 0.00 4.20 5.03 -0.93 -5.11 115.26 115.19 1i40 n ASN 174 Ca 0.00 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.76 1i40 n ASN 174 Cb 0.41 0.18 0.00 0.00 -1.02 0.00 0.00 39.78 39.35 1i40 n ASN 174 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72