#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i98 s ASN 2 N 0.00 6.12 0.45 3.17 3.84 -1.26 -4.71 114.94 122.55 3i98 s ASN 2 Ca 0.00 -0.91 0.19 0.00 0.21 0.00 0.00 52.86 52.35 3i98 s ASN 2 Cb 0.00 -2.17 1.15 0.00 -0.55 0.00 0.00 41.25 39.68 3i98 s ASN 2 CO 0.00 -0.47 1.90 -0.65 -2.79 0.00 0.00 177.10 175.10 3i98 h PRO 3 N 8.64 0.31 -0.33 0.43 0.11 -1.92 -0.04 132.00 139.22 3i98 h PRO 3 Ca -0.27 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3i98 h PRO 3 Cb 1.12 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3i98 h PRO 3 CO 0.74 0.21 0.14 0.35 -0.21 0.00 0.00 178.00 179.23 3i98 h PHE 4 N 0.32 0.45 0.00 0.65 3.57 -1.93 -2.37 116.94 117.64 3i98 h PHE 4 Ca 0.40 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.85 3i98 h PHE 4 Cb 1.06 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3i98 h PHE 4 CO -0.00 0.35 -1.33 0.72 -2.23 0.00 0.00 178.31 175.82 3i98 n HIS 5 N -4.41 0.72 -0.01 0.41 8.25 -0.07 -1.42 115.22 118.69 3i98 n HIS 5 Ca 0.02 0.22 0.01 0.00 -0.26 0.00 0.00 57.72 57.70 3i98 n HIS 5 Cb 0.13 -0.87 -0.12 0.00 1.12 0.00 0.00 29.99 30.25 3i98 n HIS 5 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i98 n GLU 6 N -2.61 0.65 -3.39 -0.41 -0.58 -0.94 -4.89 120.64 108.46 3i98 n GLU 6 Ca -0.03 0.06 -0.35 0.00 -0.42 0.00 0.00 57.16 56.42 3i98 n GLU 6 Cb 0.61 -1.67 -0.06 0.00 -0.57 0.00 0.00 31.44 29.75 3i98 n GLU 6 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3i98 s LEU 7 N -5.39 4.31 0.72 -4.62 1.43 -0.92 -5.07 118.68 109.14 3i98 s LEU 7 Ca -0.06 1.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 3i98 s LEU 7 Cb 0.09 -3.29 0.02 0.00 0.03 0.00 0.00 46.19 43.04 3i98 s LEU 7 CO 0.84 0.09 1.07 -1.83 0.23 0.00 0.00 176.35 176.74 3i98 s GLU 8 N -2.08 2.75 0.54 1.70 1.03 -1.26 -4.26 118.70 117.11 3i98 s GLU 8 Ca 0.39 1.02 0.30 0.00 0.03 0.00 0.00 54.97 56.70 3i98 s GLU 8 Cb -0.14 -1.96 1.54 0.00 -0.80 0.00 0.00 34.13 32.77 3i98 s GLU 8 CO 0.19 -1.25 2.09 -1.35 -1.33 0.00 0.00 175.26 173.61 3i98 h PRO 9 N -0.83 0.00 0.00 -4.83 0.11 -1.88 -3.43 132.00 121.15 3i98 h PRO 9 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i98 h PRO 9 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i98 h PRO 9 CO 0.55 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.84 3i98 n GLY 10 N -0.62 1.19 0.15 -0.55 0.00 -1.26 -1.16 105.19 102.93 3i98 n GLY 10 Ca -0.02 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.38 3i98 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i98 h PRO 11 N 0.00 0.00 -0.33 1.61 0.13 -1.88 -3.38 132.00 128.15 3i98 h PRO 11 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3i98 h PRO 11 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 3i98 h PRO 11 CO 0.00 0.00 -0.58 -1.91 -0.23 0.00 0.00 178.00 175.28 3i98 n GLU 12 N -2.57 0.92 -1.86 0.86 2.13 -1.07 -5.04 120.64 114.01 3i98 n GLU 12 Ca 0.05 -2.10 -0.40 0.00 0.66 0.00 0.00 57.16 55.37 3i98 n GLU 12 Cb 0.46 -1.25 0.01 0.00 0.27 0.00 0.00 31.44 30.92 3i98 n GLU 12 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i98 s VAL 13 N 0.04 2.20 -1.24 6.31 -7.23 -1.20 -1.39 120.40 117.89 3i98 s VAL 13 Ca 0.28 0.18 0.18 0.00 -1.81 0.00 0.00 61.98 60.81 3i98 s VAL 13 Cb 0.27 -3.11 0.64 0.00 0.56 0.00 0.00 36.38 34.74 3i98 s VAL 13 CO -0.12 0.03 1.54 -0.81 -0.31 0.00 0.00 175.10 175.43 3i98 n PRO 14 N -0.01 3.33 0.05 4.82 -0.04 -1.26 -4.85 135.00 137.03 3i98 n PRO 14 Ca 0.04 -2.72 -0.12 0.00 -0.04 0.00 0.00 63.50 60.66 3i98 n PRO 14 Cb 0.42 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 3i98 n PRO 14 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i98 h GLU 15 N 3.70 0.47 -3.89 0.54 4.39 -1.63 -3.42 114.58 114.74 3i98 h GLU 15 Ca 0.00 -0.42 -0.49 0.00 0.34 0.00 0.00 59.36 58.79 3i98 h GLU 15 Cb 1.24 0.10 -0.38 0.00 -0.10 0.00 0.00 28.75 29.61 3i98 h GLU 15 CO 0.14 1.06 -0.78 0.08 -1.16 0.00 0.00 179.01 178.36 3i98 s VAL 16 N -3.51 0.67 0.33 3.13 1.01 -0.49 -4.21 120.40 117.33 3i98 s VAL 16 Ca -0.06 -0.17 0.09 0.00 0.00 0.00 0.00 61.98 61.83 3i98 s VAL 16 Cb 0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 3i98 s VAL 16 CO 0.86 0.21 0.08 0.68 0.00 0.00 0.00 175.10 176.93 3i98 s VAL 17 N 1.84 2.90 -0.01 2.92 -7.23 -0.13 -2.61 120.40 118.08 3i98 s VAL 17 Ca 0.04 -1.82 -0.20 0.00 -1.81 0.00 0.00 61.98 58.18 3i98 s VAL 17 Cb -0.13 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 3i98 s VAL 17 CO -0.07 -0.20 0.58 -0.31 -0.31 0.00 0.00 175.10 174.79 3i98 s TYR 18 N -2.45 3.68 -0.20 2.82 4.12 -0.31 -0.53 117.35 124.46 3i98 s TYR 18 Ca 0.36 1.18 -0.04 0.00 0.02 0.00 0.00 57.07 58.59 3i98 s TYR 18 Cb -0.02 -2.59 -0.02 0.00 -1.52 0.00 0.00 41.96 37.81 3i98 s TYR 18 CO 0.21 0.36 -0.02 0.00 0.02 0.00 0.00 175.55 176.12 3i98 s ALA 19 N -0.20 2.93 -0.44 3.71 0.00 0.75 -4.26 121.76 124.24 3i98 s ALA 19 Ca 0.31 -1.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 3i98 s ALA 19 Cb -0.18 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.26 3i98 s ALA 19 CO 0.17 -0.23 0.39 -1.17 0.00 0.00 0.00 175.76 174.92 3i98 s LEU 20 N 1.14 5.20 0.06 0.00 2.96 0.01 -0.78 118.68 127.28 3i98 s LEU 20 Ca 0.02 -0.98 -0.30 0.00 -0.22 0.00 0.00 54.13 52.65 3i98 s LEU 20 Cb -0.15 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 3i98 s LEU 20 CO 0.00 -0.58 1.02 -0.63 -1.32 0.00 0.00 176.35 174.84 3i98 s ILE 21 N 1.86 4.53 -0.17 6.68 -1.09 -0.60 -1.69 121.20 130.72 3i98 s ILE 21 Ca 0.07 1.94 0.07 0.00 -2.23 0.00 0.00 60.65 60.49 3i98 s ILE 21 Cb -0.20 -4.24 -0.15 0.00 -1.58 0.00 0.00 42.46 36.29 3i98 s ILE 21 CO 0.10 0.22 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.33 3i98 n GLU 22 N 3.39 0.96 -3.83 2.79 1.02 0.57 0.66 120.64 126.20 3i98 n GLU 22 Ca 0.05 0.06 -0.27 0.00 -0.02 0.00 0.00 57.16 56.98 3i98 n GLU 22 Cb 0.49 -1.38 -0.17 0.00 -0.02 0.00 0.00 31.44 30.37 3i98 n GLU 22 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i98 s ILE 23 N -2.37 0.86 0.51 -3.67 1.01 -0.31 -4.65 121.20 112.57 3i98 s ILE 23 Ca -0.18 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 3i98 s ILE 23 Cb 0.06 -1.11 -0.07 0.00 0.01 0.00 0.00 42.46 41.34 3i98 s ILE 23 CO 0.51 0.07 1.09 -2.84 0.00 0.00 0.00 174.94 173.76 3i98 s PRO 24 N 1.74 3.59 0.30 2.79 0.02 -1.26 -0.32 135.00 141.86 3i98 s PRO 24 Ca 0.01 1.51 -0.30 0.00 0.02 0.00 0.00 61.00 62.24 3i98 s PRO 24 Cb -0.15 -2.08 -0.12 0.00 0.02 0.00 0.00 34.50 32.17 3i98 s PRO 24 CO -0.07 -0.63 1.45 1.17 -0.33 0.00 0.00 177.00 178.58 3i98 n LYS 25 N -1.08 2.36 0.00 5.54 0.00 -1.23 -2.39 118.16 121.35 3i98 n LYS 25 Ca 0.10 0.83 0.00 0.00 0.00 0.00 0.00 58.31 59.25 3i98 n LYS 25 Cb 0.51 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 33.02 3i98 n LYS 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i98 n GLY 26 N 1.57 0.18 3.74 3.14 0.00 0.02 -4.85 105.19 108.99 3i98 n GLY 26 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3i98 n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i98 s SER 27 N -2.16 7.44 0.11 1.61 0.15 -1.01 -4.72 113.70 115.13 3i98 s SER 27 Ca 0.00 1.72 0.22 0.00 0.70 0.00 0.00 55.95 58.59 3i98 s SER 27 Cb 0.00 -2.56 -0.11 0.00 -1.71 0.00 0.00 66.02 61.64 3i98 s SER 27 CO 0.00 0.00 0.85 -1.14 1.20 0.00 0.00 173.24 174.15 3i98 n ARG 28 N 2.55 0.60 -2.54 5.44 0.63 -1.26 -1.61 116.66 120.47 3i98 n ARG 28 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.52 3i98 n ARG 28 Cb 0.49 -1.71 -0.03 0.00 0.45 0.00 0.00 32.46 31.66 3i98 n ARG 28 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3i98 s ASN 29 N -4.98 7.20 -0.35 6.15 0.01 -1.26 -2.19 114.94 119.52 3i98 s ASN 29 Ca -0.03 1.85 -0.14 0.00 -0.71 0.00 0.00 52.86 53.84 3i98 s ASN 29 Cb 0.11 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 3i98 s ASN 29 CO 0.83 -0.39 0.28 -0.75 -1.51 0.00 0.00 177.10 175.57 3i98 s LYS 30 N 1.10 3.46 0.12 -0.60 2.20 -0.18 -4.97 119.74 120.88 3i98 s LYS 30 Ca 0.56 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 55.59 3i98 s LYS 30 Cb -0.26 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 3i98 s LYS 30 CO 0.28 -0.50 0.10 0.71 -0.36 0.00 0.00 175.35 175.58 3i98 s TYR 31 N 1.81 3.16 0.40 4.03 1.51 -1.26 -0.07 117.35 126.93 3i98 s TYR 31 Ca 0.08 0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.21 3i98 s TYR 31 Cb -0.17 -1.56 -0.02 0.00 -0.11 0.00 0.00 41.96 40.10 3i98 s TYR 31 CO 0.11 0.52 0.17 0.39 -1.11 0.00 0.00 175.55 175.62 3i98 n GLU 32 N 0.09 0.55 -3.52 -0.62 1.02 -0.01 -4.74 120.64 113.42 3i98 n GLU 32 Ca -0.09 -3.46 -0.37 0.00 -0.02 0.00 0.00 57.16 53.23 3i98 n GLU 32 Cb 0.53 2.00 -0.06 0.00 -0.02 0.00 0.00 31.44 33.89 3i98 n GLU 32 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i98 s LEU 33 N 0.00 4.32 0.07 -4.62 1.02 -1.26 -0.80 118.68 117.40 3i98 s LEU 33 Ca 0.23 0.67 -0.31 0.00 0.02 0.00 0.00 54.13 54.75 3i98 s LEU 33 Cb 0.01 -2.46 -0.07 0.00 0.02 0.00 0.00 46.19 43.70 3i98 s LEU 33 CO 0.17 0.17 1.41 -0.62 0.02 0.00 0.00 176.35 177.49 3i98 s ASP 34 N -0.03 6.82 0.15 2.29 2.15 0.11 -4.87 116.67 123.29 3i98 s ASP 34 Ca 0.20 2.25 -0.16 0.00 0.43 0.00 0.00 52.55 55.27 3i98 s ASP 34 Cb -0.14 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 3i98 s ASP 34 CO 0.07 -0.69 1.82 0.11 -0.17 0.00 0.00 175.17 176.31 3i98 h LYS 35 N 7.33 0.53 -0.18 4.34 6.56 -1.97 0.15 116.57 133.34 3i98 h LYS 35 Ca -0.41 -0.03 -0.06 0.00 -1.06 0.00 0.00 60.65 59.09 3i98 h LYS 35 Cb 1.20 -0.12 -0.00 0.00 -0.57 0.00 0.00 32.23 32.73 3i98 h LYS 35 CO 0.88 0.35 -0.12 0.87 -2.06 0.00 0.00 179.45 179.38 3i98 h LYS 36 N 0.55 0.40 0.00 3.15 6.56 -1.98 -3.38 116.57 121.87 3i98 h LYS 36 Ca 0.15 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 3i98 h LYS 36 Cb -0.06 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.59 3i98 h LYS 36 CO -0.03 0.73 -1.50 0.25 -2.06 0.00 0.00 179.45 176.83 3i98 n THR 37 N -4.55 0.00 -1.00 -0.16 -2.24 -1.19 -4.92 114.28 100.22 3i98 n THR 37 Ca -0.05 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3i98 n THR 37 Cb 0.34 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3i98 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i98 n GLY 38 N 1.69 0.39 3.84 3.38 0.00 0.53 -4.66 105.19 110.36 3i98 n GLY 38 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3i98 n GLY 38 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i98 s LEU 39 N 0.00 3.57 0.31 0.99 1.43 -1.26 -4.66 118.68 119.05 3i98 s LEU 39 Ca 0.00 1.60 -0.29 0.00 -1.03 0.00 0.00 54.13 54.41 3i98 s LEU 39 Cb 0.00 -4.51 -0.10 0.00 0.03 0.00 0.00 46.19 41.61 3i98 s LEU 39 CO 0.00 -0.72 1.35 -0.22 0.23 0.00 0.00 176.35 176.99 3i98 s LEU 40 N -4.24 4.41 0.01 1.79 2.96 -1.26 0.05 118.68 122.39 3i98 s LEU 40 Ca 0.59 2.69 0.03 0.00 -0.22 0.00 0.00 54.13 57.23 3i98 s LEU 40 Cb -0.11 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 3i98 s LEU 40 CO 0.34 -0.59 -0.10 -0.75 -1.32 0.00 0.00 176.35 173.93 3i98 s LYS 41 N -1.41 0.74 -0.15 1.98 2.20 0.02 -4.80 119.74 118.32 3i98 s LYS 41 Ca 0.52 -0.48 -0.29 0.00 -0.36 0.00 0.00 55.97 55.36 3i98 s LYS 41 Cb -0.40 -0.70 -0.02 0.00 -1.51 0.00 0.00 37.83 35.20 3i98 s LYS 41 CO 0.51 0.18 1.34 -1.17 -0.36 0.00 0.00 175.35 175.85 3i98 s LEU 42 N -0.61 4.19 -0.13 5.43 2.96 -1.26 -0.83 118.68 128.43 3i98 s LEU 42 Ca 0.01 1.78 -0.15 0.00 -0.22 0.00 0.00 54.13 55.55 3i98 s LEU 42 Cb -0.05 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.97 3i98 s LEU 42 CO 0.00 -0.81 0.32 -0.78 -1.32 0.00 0.00 176.35 173.76 3i98 h ASP 43 N 8.53 0.00 -5.06 3.68 3.58 -0.80 -3.47 116.42 122.89 3i98 h ASP 43 Ca -0.29 -0.46 0.10 0.00 0.42 0.00 0.00 57.03 56.80 3i98 h ASP 43 Cb 1.12 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.08 3i98 h ASP 43 CO 0.97 0.84 0.36 0.00 -2.88 0.00 0.00 179.24 178.53 3i98 s ARG 44 N -1.98 1.34 -0.20 0.28 1.70 -1.08 -5.04 118.95 113.97 3i98 s ARG 44 Ca -0.12 -0.67 -0.13 0.00 -0.47 0.00 0.00 55.73 54.33 3i98 s ARG 44 Cb -0.00 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.83 3i98 s ARG 44 CO 0.37 -0.61 0.27 0.08 -1.08 0.00 0.00 175.30 174.33 3i98 s VAL 45 N -3.54 5.30 0.32 4.99 1.01 -1.26 -1.01 120.40 126.21 3i98 s VAL 45 Ca 0.09 0.46 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 3i98 s VAL 45 Cb -0.03 -3.61 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 3i98 s VAL 45 CO -0.01 0.34 1.31 0.18 0.00 0.00 0.00 175.10 176.92 3i98 n LEU 46 N 4.01 3.38 0.14 3.92 4.77 -0.93 -4.84 117.00 127.45 3i98 n LEU 46 Ca -0.12 1.19 0.12 0.00 -0.03 0.00 0.00 56.01 57.17 3i98 n LEU 46 Cb 0.52 -1.46 0.50 0.00 -2.33 0.00 0.00 43.42 40.64 3i98 n LEU 46 CO 0.38 -0.52 0.87 1.88 -1.33 0.00 0.00 177.39 178.67 3i98 h TYR 47 N 2.91 0.00 -2.50 -1.77 -1.99 -1.93 -3.44 116.97 108.25 3i98 h TYR 47 Ca -0.46 0.00 -0.62 0.00 2.00 0.00 0.00 58.73 59.66 3i98 h TYR 47 Cb 1.28 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 39.87 3i98 h TYR 47 CO 0.52 0.00 -0.76 -1.12 -0.00 0.00 0.00 178.16 176.80 3i98 s SER 48 N -4.40 3.73 -1.57 3.88 0.01 -1.26 -5.02 113.70 109.07 3i98 s SER 48 Ca 0.05 -0.90 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 3i98 s SER 48 Cb 0.09 -0.40 -0.05 0.00 0.21 0.00 0.00 66.02 65.88 3i98 s SER 48 CO 0.42 0.06 2.76 -0.81 0.41 0.00 0.00 173.24 176.08 3i98 n PRO 49 N -0.40 3.55 -3.47 12.44 -0.04 -1.26 -4.86 135.00 140.97 3i98 n PRO 49 Ca -0.07 -2.37 -0.19 0.00 -0.04 0.00 0.00 63.50 60.83 3i98 n PRO 49 Cb 0.59 -2.91 -0.00 0.00 -0.04 0.00 0.00 33.50 31.13 3i98 n PRO 49 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3i98 s PHE 50 N 2.24 3.13 0.02 0.54 0.08 -1.26 -5.14 117.98 117.59 3i98 s PHE 50 Ca 0.64 -0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.51 3i98 s PHE 50 Cb 0.17 -1.99 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 3i98 s PHE 50 CO -0.07 -0.01 -0.06 -0.59 -0.10 0.00 0.00 175.22 174.39 3i98 s PHE 51 N -2.18 0.55 0.08 0.36 -0.12 -1.26 -4.42 117.98 110.98 3i98 s PHE 51 Ca 0.45 -0.35 -0.33 0.00 -0.05 0.00 0.00 56.93 56.65 3i98 s PHE 51 Cb -0.10 -0.34 -0.12 0.00 -0.63 0.00 0.00 43.02 41.84 3i98 s PHE 51 CO 0.31 -0.06 1.77 0.66 -0.05 0.00 0.00 175.22 177.85 3i98 n TYR 52 N 2.01 2.44 1.37 3.49 4.02 -0.63 -4.78 117.16 125.07 3i98 n TYR 52 Ca -0.19 0.02 0.14 0.00 -0.01 0.00 0.00 57.90 57.86 3i98 n TYR 52 Cb 0.56 -2.65 0.57 0.00 -0.02 0.00 0.00 39.34 37.80 3i98 n TYR 52 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3i98 n PRO 53 N 5.19 0.69 -4.05 -0.72 -0.04 -1.26 -0.80 135.00 134.01 3i98 n PRO 53 Ca 0.19 -0.26 -0.08 0.00 -0.04 0.00 0.00 63.50 63.30 3i98 n PRO 53 Cb 0.32 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 3i98 n PRO 53 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i98 s VAL 54 N -2.49 0.16 0.03 0.52 -7.23 -1.26 -4.91 120.40 105.21 3i98 s VAL 54 Ca 0.28 -1.68 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 3i98 s VAL 54 Cb 0.20 -1.66 -0.06 0.00 0.56 0.00 0.00 36.38 35.42 3i98 s VAL 54 CO 0.48 -0.72 1.31 -1.81 -0.31 0.00 0.00 175.10 174.05 3i98 s ASP 55 N -2.95 6.94 -0.06 4.85 1.11 -0.74 -3.47 116.67 122.35 3i98 s ASP 55 Ca 0.12 2.07 0.06 0.00 0.18 0.00 0.00 52.55 54.98 3i98 s ASP 55 Cb 0.07 -2.57 -0.01 0.00 1.07 0.00 0.00 42.92 41.48 3i98 s ASP 55 CO -0.06 -0.61 -0.24 -0.47 1.18 0.00 0.00 175.17 174.96 3i98 s TYR 56 N 1.75 2.39 0.00 4.23 5.04 0.56 -0.64 117.35 130.68 3i98 s TYR 56 Ca 0.61 -0.74 0.00 0.00 -2.44 0.00 0.00 57.07 54.50 3i98 s TYR 56 Cb -0.31 -1.57 0.00 0.00 0.35 0.00 0.00 41.96 40.43 3i98 s TYR 56 CO 0.27 -0.24 0.00 0.41 -1.34 0.00 0.00 175.55 174.66 3i98 n GLY 57 N 3.03 2.65 3.23 8.97 0.00 -0.03 -0.32 105.19 122.72 3i98 n GLY 57 Ca -0.18 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 3i98 n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i98 s ILE 58 N -1.60 1.16 -0.22 -0.61 -4.36 -0.68 -1.03 121.20 113.86 3i98 s ILE 58 Ca 0.00 -1.83 -0.17 0.00 -0.26 0.00 0.00 60.65 58.39 3i98 s ILE 58 Cb 0.00 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 3i98 s ILE 58 CO 0.00 -0.59 0.44 -0.63 0.24 0.00 0.00 174.94 174.40 3i98 s ILE 59 N -2.69 5.16 0.65 8.37 1.01 -0.58 -0.81 121.20 132.30 3i98 s ILE 59 Ca 0.11 0.76 -0.18 0.00 0.00 0.00 0.00 60.65 61.34 3i98 s ILE 59 Cb -0.01 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.68 3i98 s ILE 59 CO 0.01 0.20 1.30 -2.84 0.00 0.00 0.00 174.94 173.61 3i98 s PRO 60 N 1.60 2.54 -1.39 2.79 0.02 -1.26 -3.19 135.00 136.11 3i98 s PRO 60 Ca 0.20 2.07 -0.06 0.00 0.02 0.00 0.00 61.00 63.23 3i98 s PRO 60 Cb -0.15 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.56 3i98 s PRO 60 CO 0.09 -1.61 0.86 1.04 -0.33 0.00 0.00 177.00 177.05 3i98 n GLN 61 N -1.91 -5.47 -4.31 5.54 6.02 -0.51 -3.80 117.38 112.94 3i98 n GLN 61 Ca 0.16 0.64 -0.17 0.00 -0.01 0.00 0.00 57.00 57.61 3i98 n GLN 61 Cb 0.48 -5.38 -0.10 0.00 1.02 0.00 0.00 30.24 26.26 3i98 n GLN 61 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3i98 s THR 62 N -3.49 1.55 -0.02 5.09 -4.23 -1.19 -4.57 115.64 108.77 3i98 s THR 62 Ca 0.29 -2.12 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 3i98 s THR 62 Cb -0.14 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.77 3i98 s THR 62 CO 0.81 -0.61 0.15 0.86 -0.54 0.00 0.00 174.62 175.29 3i98 s TRP 63 N -2.96 -0.05 0.32 3.99 -0.11 -0.62 -4.23 118.94 115.28 3i98 s TRP 63 Ca 0.19 0.10 0.04 0.00 1.22 0.00 0.00 56.10 57.66 3i98 s TRP 63 Cb -0.00 -0.00 -0.06 0.00 -1.50 0.00 0.00 33.47 31.90 3i98 s TRP 63 CO 0.05 -0.21 0.05 -0.47 -4.62 0.00 0.00 176.95 171.76 3i98 s TYR 64 N -0.79 1.95 0.51 5.86 5.04 0.06 -4.41 117.35 125.57 3i98 s TYR 64 Ca -0.09 -0.95 0.21 0.00 -2.44 0.00 0.00 57.07 53.80 3i98 s TYR 64 Cb -0.05 -1.27 1.30 0.00 0.35 0.00 0.00 41.96 42.30 3i98 s TYR 64 CO 0.01 0.01 2.02 -0.44 -1.34 0.00 0.00 175.55 175.81 3i98 h ASP 65 N 2.13 0.07 -0.06 4.32 5.19 -1.86 -0.80 116.42 125.40 3i98 h ASP 65 Ca -0.41 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 3i98 h ASP 65 Cb 1.24 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.74 3i98 h ASP 65 CO 0.69 0.04 0.00 -0.90 -3.12 0.00 0.00 179.24 175.95 3i98 n ASP 66 N -4.43 0.43 -0.95 6.45 5.75 -1.25 -4.87 116.55 117.68 3i98 n ASP 66 Ca 0.07 -1.72 -0.05 0.00 -0.01 0.00 0.00 54.79 53.08 3i98 n ASP 66 Cb 0.46 -0.04 0.01 0.00 -1.03 0.00 0.00 41.12 40.52 3i98 n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i98 n GLY 67 N 0.77 0.42 3.33 6.12 0.00 -0.31 -5.05 105.19 110.47 3i98 n GLY 67 Ca 0.09 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 3i98 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i98 s ASP 68 N -2.95 0.08 0.79 1.61 1.01 -1.25 -4.96 116.67 111.00 3i98 s ASP 68 Ca 0.08 -1.09 -0.14 0.00 0.71 0.00 0.00 52.55 52.11 3i98 s ASP 68 Cb -0.04 0.44 0.04 0.00 1.01 0.00 0.00 42.92 44.37 3i98 s ASP 68 CO 0.10 -0.91 0.97 -2.65 0.21 0.00 0.00 175.17 172.89 3i98 n PRO 69 N -0.26 0.22 -2.35 8.23 -0.02 -1.26 -0.76 135.00 138.80 3i98 n PRO 69 Ca -0.03 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 3i98 n PRO 69 Cb 0.64 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 3i98 n PRO 69 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i98 s PHE 70 N -2.06 3.18 0.33 6.00 5.99 -1.26 -4.70 117.98 125.47 3i98 s PHE 70 Ca 0.70 1.11 -0.26 0.00 0.00 0.00 0.00 56.93 58.48 3i98 s PHE 70 Cb -0.30 -3.51 -0.10 0.00 0.00 0.00 0.00 43.02 39.11 3i98 s PHE 70 CO 0.53 -1.72 0.97 -0.51 -0.00 0.00 0.00 175.22 174.50 3i98 s ASP 71 N 1.42 7.24 -0.00 6.13 1.01 -1.26 -1.53 116.67 129.68 3i98 s ASP 71 Ca 0.60 1.91 0.00 0.00 0.71 0.00 0.00 52.55 55.77 3i98 s ASP 71 Cb -0.29 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.06 3i98 s ASP 71 CO 0.26 -0.14 -0.01 -0.51 0.21 0.00 0.00 175.17 174.99 3i98 s ILE 72 N -1.57 0.08 -0.19 0.77 2.07 -0.20 -1.57 121.20 120.60 3i98 s ILE 72 Ca 0.51 -0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.71 3i98 s ILE 72 Cb -0.20 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 3i98 s ILE 72 CO 0.26 0.04 -0.09 -0.04 -1.91 0.00 0.00 174.94 173.20 3i98 s MET 73 N 0.14 3.34 -0.14 3.50 -1.94 0.80 -0.85 119.30 124.15 3i98 s MET 73 Ca -0.01 -0.67 -0.01 0.00 -1.71 0.00 0.00 55.69 53.29 3i98 s MET 73 Cb -0.02 -2.84 -0.02 0.00 2.01 0.00 0.00 34.83 33.96 3i98 s MET 73 CO -0.00 -0.06 -0.10 0.08 -0.01 0.00 0.00 175.02 174.92 3i98 s VAL 74 N 1.08 3.28 -0.48 -6.03 1.01 0.18 -0.05 120.40 119.39 3i98 s VAL 74 Ca 0.00 -0.58 -0.26 0.00 0.00 0.00 0.00 61.98 61.15 3i98 s VAL 74 Cb -0.15 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.87 3i98 s VAL 74 CO -0.02 0.51 0.96 -0.63 0.00 0.00 0.00 175.10 175.93 3i98 s ILE 75 N 0.40 4.41 -0.05 2.22 1.01 -0.70 -1.80 121.20 126.71 3i98 s ILE 75 Ca -0.08 0.75 0.06 0.00 0.00 0.00 0.00 60.65 61.37 3i98 s ILE 75 Cb -0.15 -4.48 -0.02 0.00 0.01 0.00 0.00 42.46 37.82 3i98 s ILE 75 CO 0.05 -0.91 -0.22 -0.04 0.00 0.00 0.00 174.94 173.81 3i98 s MET 76 N 3.92 2.42 0.07 2.79 -1.94 -1.26 -4.29 119.30 121.01 3i98 s MET 76 Ca 0.38 -0.85 -0.17 0.00 -1.71 0.00 0.00 55.69 53.34 3i98 s MET 76 Cb -0.10 -2.20 -0.12 0.00 2.01 0.00 0.00 34.83 34.42 3i98 s MET 76 CO 0.26 0.50 1.37 0.00 -0.01 0.00 0.00 175.02 177.14 3i98 h ARG 77 N 5.69 0.59 -5.07 2.03 3.08 -2.02 -3.41 114.38 115.26 3i98 h ARG 77 Ca -0.40 -0.34 -0.66 0.00 0.07 0.00 0.00 59.98 58.66 3i98 h ARG 77 Cb 1.15 0.02 -0.31 0.00 0.08 0.00 0.00 29.97 30.92 3i98 h ARG 77 CO 0.48 0.94 -0.78 -2.00 -1.07 0.00 0.00 179.97 177.54 3i98 s GLU 78 N -4.22 3.22 0.62 0.04 2.12 -1.26 -5.10 118.70 114.12 3i98 s GLU 78 Ca -0.13 -0.72 -0.19 0.00 0.36 0.00 0.00 54.97 54.30 3i98 s GLU 78 Cb 0.07 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.66 3i98 s GLU 78 CO 0.81 -0.14 1.27 -2.14 -0.54 0.00 0.00 175.26 174.52 3i98 s PRO 79 N 1.24 2.73 0.70 4.30 0.02 -1.26 -5.03 135.00 137.70 3i98 s PRO 79 Ca 0.03 2.00 -0.00 0.00 0.02 0.00 0.00 61.00 63.05 3i98 s PRO 79 Cb -0.14 -1.90 0.12 0.00 0.02 0.00 0.00 34.50 32.60 3i98 s PRO 79 CO -0.06 -1.44 0.97 0.14 -0.33 0.00 0.00 177.00 176.28 3i98 s VAL 80 N -1.45 2.18 0.39 3.83 -7.23 -1.26 -5.02 120.40 111.85 3i98 s VAL 80 Ca 0.80 -0.61 -0.12 0.00 -1.81 0.00 0.00 61.98 60.24 3i98 s VAL 80 Cb -0.36 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 33.95 3i98 s VAL 80 CO 0.38 0.00 0.77 -0.31 -0.31 0.00 0.00 175.10 175.63 3i98 s TYR 81 N -3.09 3.45 0.66 2.82 1.51 -1.26 -4.58 117.35 116.85 3i98 s TYR 81 Ca 0.65 1.10 -0.17 0.00 -1.01 0.00 0.00 57.07 57.64 3i98 s TYR 81 Cb -0.06 -2.48 -0.00 0.00 -0.11 0.00 0.00 41.96 39.31 3i98 s TYR 81 CO 0.44 -0.07 1.25 -2.30 -1.11 0.00 0.00 175.55 173.75 3i98 n PRO 82 N -1.10 0.99 -1.39 -1.71 -0.02 -1.26 -2.47 135.00 128.03 3i98 n PRO 82 Ca 0.03 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 3i98 n PRO 82 Cb 0.54 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 3i98 n PRO 82 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i98 n LEU 83 N -1.95 -0.81 -4.79 2.45 4.77 0.21 -5.00 117.00 111.88 3i98 n LEU 83 Ca 0.16 0.22 -0.38 0.00 -0.03 0.00 0.00 56.01 55.98 3i98 n LEU 83 Cb 0.48 -1.65 -0.06 0.00 -2.33 0.00 0.00 43.42 39.86 3i98 n LEU 83 CO 0.47 -0.49 0.14 -0.89 -1.33 0.00 0.00 177.39 175.30 3i98 s THR 84 N -2.39 5.06 -0.12 -5.08 2.01 -1.03 -4.84 115.64 109.25 3i98 s THR 84 Ca 0.00 0.91 -0.23 0.00 0.31 0.00 0.00 61.69 62.68 3i98 s THR 84 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.71 3i98 s THR 84 CO 0.00 0.48 0.71 -0.63 -0.69 0.00 0.00 174.62 174.48 3i98 s ILE 85 N -0.41 5.01 -0.09 1.82 1.01 -1.26 -1.55 121.20 125.73 3i98 s ILE 85 Ca 0.25 1.41 0.04 0.00 0.00 0.00 0.00 60.65 62.35 3i98 s ILE 85 Cb -0.16 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 3i98 s ILE 85 CO 0.12 0.18 -0.24 -0.63 0.00 0.00 0.00 174.94 174.37 3i98 s ILE 86 N 1.31 2.10 -0.16 2.92 1.01 0.04 -4.95 121.20 123.47 3i98 s ILE 86 Ca 0.35 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 3i98 s ILE 86 Cb -0.17 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 3i98 s ILE 86 CO 0.15 0.56 1.23 -1.61 0.00 0.00 0.00 174.94 175.27 3i98 s GLU 87 N 0.23 4.25 0.01 2.79 2.02 -1.26 -0.18 118.70 126.56 3i98 s GLU 87 Ca -0.15 1.63 0.03 0.00 0.02 0.00 0.00 54.97 56.50 3i98 s GLU 87 Cb -0.17 -3.72 -0.01 0.00 0.10 0.00 0.00 34.13 30.33 3i98 s GLU 87 CO 0.08 -0.66 -0.09 0.00 0.02 0.00 0.00 175.26 174.61 3i98 s ALA 88 N 3.28 0.72 -0.32 5.21 0.00 0.31 -1.57 121.76 129.39 3i98 s ALA 88 Ca 0.54 -0.48 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 3i98 s ALA 88 Cb -0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3i98 s ALA 88 CO 0.15 0.14 0.23 0.50 0.00 0.00 0.00 175.76 176.78 3i98 s ARG 89 N -0.56 3.65 0.20 0.00 3.52 0.18 -0.96 118.95 124.98 3i98 s ARG 89 Ca 0.01 -0.52 -0.31 0.00 -0.13 0.00 0.00 55.73 54.78 3i98 s ARG 89 Cb -0.05 -3.76 -0.10 0.00 -1.56 0.00 0.00 34.95 29.48 3i98 s ARG 89 CO 0.00 -0.36 1.48 -2.14 -0.81 0.00 0.00 175.30 173.47 3i98 s PRO 90 N 1.76 4.26 0.00 5.12 0.02 -1.26 -1.64 135.00 143.25 3i98 s PRO 90 Ca 0.07 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.38 3i98 s PRO 90 Cb -0.17 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3i98 s PRO 90 CO 0.11 -0.49 0.37 0.44 -0.33 0.00 0.00 177.00 177.11 3i98 n ILE 91 N 3.15 0.00 -0.05 2.83 -5.35 0.31 -4.87 119.36 115.38 3i98 n ILE 91 Ca 0.10 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 3i98 n ILE 91 Cb 0.40 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3i98 n ILE 91 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i98 n GLY 92 N 0.18 -1.54 3.21 3.28 0.00 -1.04 -1.42 105.19 107.86 3i98 n GLY 92 Ca 0.00 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 3i98 n GLY 92 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i98 s ILE 93 N -2.01 -0.02 -0.20 -0.61 2.07 -0.88 -0.96 121.20 118.59 3i98 s ILE 93 Ca 0.00 0.07 -0.17 0.00 -1.41 0.00 0.00 60.65 59.14 3i98 s ILE 93 Cb 0.00 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.04 3i98 s ILE 93 CO 0.00 0.03 0.44 -0.32 -1.91 0.00 0.00 174.94 173.17 3i98 s MET 94 N 0.88 4.17 -0.30 3.50 -2.45 0.22 -0.45 119.30 124.87 3i98 s MET 94 Ca -0.06 0.26 -0.13 0.00 -1.25 0.00 0.00 55.69 54.51 3i98 s MET 94 Cb -0.06 -3.55 -0.03 0.00 1.25 0.00 0.00 34.83 32.43 3i98 s MET 94 CO -0.07 -0.09 0.28 0.15 1.05 0.00 0.00 175.02 176.35 3i98 s LYS 95 N 1.46 3.83 0.04 4.11 1.02 0.30 -1.54 119.74 128.96 3i98 s LYS 95 Ca 0.20 -0.28 -0.13 0.00 0.02 0.00 0.00 55.97 55.78 3i98 s LYS 95 Cb -0.15 -3.71 0.02 0.00 -0.52 0.00 0.00 37.83 33.47 3i98 s LYS 95 CO 0.09 -0.31 0.28 0.00 -0.92 0.00 0.00 175.35 174.48 3i98 s MET 96 N 1.89 0.77 -0.06 1.68 0.23 -1.26 0.21 119.30 122.76 3i98 s MET 96 Ca 0.10 -0.50 0.04 0.00 -1.03 0.00 0.00 55.69 54.29 3i98 s MET 96 Cb -0.16 0.33 -0.02 0.00 -1.53 0.00 0.00 34.83 33.45 3i98 s MET 96 CO 0.11 -0.24 -0.18 -1.21 -2.03 0.00 0.00 175.02 171.47 3i98 s GLU 97 N -2.44 2.63 -0.24 3.16 2.02 0.24 -1.65 118.70 122.42 3i98 s GLU 97 Ca -0.06 -0.77 0.02 0.00 0.02 0.00 0.00 54.97 54.19 3i98 s GLU 97 Cb -0.01 -2.34 0.05 0.00 0.10 0.00 0.00 34.13 31.93 3i98 s GLU 97 CO -0.03 0.49 -0.13 0.34 0.02 0.00 0.00 175.26 175.94 3i98 s ASP 98 N -0.39 4.08 -1.50 -0.19 -1.08 -0.10 -0.69 116.67 116.80 3i98 s ASP 98 Ca 0.04 -1.19 -0.10 0.00 -0.52 0.00 0.00 52.55 50.77 3i98 s ASP 98 Cb -0.12 -1.52 0.07 0.00 -1.46 0.00 0.00 42.92 39.88 3i98 s ASP 98 CO 0.02 -0.14 0.84 -1.20 0.52 0.00 0.00 175.17 175.22 3i98 n SER 99 N 4.49 -3.41 0.00 -0.34 7.64 -1.05 -1.33 113.62 119.62 3i98 n SER 99 Ca -0.16 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.88 3i98 n SER 99 Cb 0.44 -3.69 0.00 0.00 -1.01 0.00 0.00 64.21 59.95 3i98 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i98 n GLY 100 N -1.66 1.66 3.86 0.23 0.00 -1.26 -5.02 105.19 103.00 3i98 n GLY 100 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3i98 n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i98 s ASP 101 N -3.31 6.50 -0.38 1.61 1.01 -0.44 -5.04 116.67 116.63 3i98 s ASP 101 Ca 0.00 0.60 -0.28 0.00 0.71 0.00 0.00 52.55 53.58 3i98 s ASP 101 Cb 0.00 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 3i98 s ASP 101 CO 0.00 0.38 1.72 -0.75 0.21 0.00 0.00 175.17 176.73 3i98 s LYS 102 N -1.01 3.32 -0.40 8.23 2.20 -1.26 -0.93 119.74 129.89 3i98 s LYS 102 Ca 0.17 1.24 0.09 0.00 -0.36 0.00 0.00 55.97 57.11 3i98 s LYS 102 Cb -0.13 -4.18 0.43 0.00 -1.51 0.00 0.00 37.83 32.44 3i98 s LYS 102 CO 0.06 -1.88 1.07 -3.47 -0.36 0.00 0.00 175.35 170.78 3i98 n ASP 103 N 10.19 3.86 -4.76 1.43 2.03 -0.66 -3.82 116.55 124.82 3i98 n ASP 103 Ca 0.21 -3.45 -0.33 0.00 0.52 0.00 0.00 54.79 51.74 3i98 n ASP 103 Cb 0.48 -0.47 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 3i98 n ASP 103 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3i98 s TRP 104 N -3.44 2.55 -0.03 -0.67 0.52 -1.25 -4.50 118.94 112.12 3i98 s TRP 104 Ca 0.43 1.56 -0.01 0.00 0.02 0.00 0.00 56.10 58.10 3i98 s TRP 104 Cb 0.41 -3.21 0.03 0.00 -1.15 0.00 0.00 33.47 29.56 3i98 s TRP 104 CO -0.12 -1.79 0.05 0.15 0.02 0.00 0.00 176.95 175.26 3i98 s LYS 105 N -4.05 -0.01 0.31 4.98 1.02 -0.59 -4.46 119.74 116.94 3i98 s LYS 105 Ca 0.68 0.22 -0.28 0.00 0.02 0.00 0.00 55.97 56.61 3i98 s LYS 105 Cb -0.22 -0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 36.77 3i98 s LYS 105 CO 0.41 -0.16 1.13 0.08 -0.92 0.00 0.00 175.35 175.89 3i98 s VAL 106 N 1.07 3.38 -0.15 3.17 1.01 -0.61 -0.61 120.40 127.65 3i98 s VAL 106 Ca -0.09 1.32 -0.04 0.00 0.00 0.00 0.00 61.98 63.17 3i98 s VAL 106 Cb -0.12 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 3i98 s VAL 106 CO -0.04 0.26 -0.03 -0.22 0.00 0.00 0.00 175.10 175.07 3i98 s LEU 107 N -1.76 3.28 0.09 3.92 2.96 -0.13 -0.14 118.68 126.90 3i98 s LEU 107 Ca 0.48 -0.11 -0.03 0.00 -0.22 0.00 0.00 54.13 54.25 3i98 s LEU 107 Cb -0.32 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3i98 s LEU 107 CO 0.41 0.18 0.06 0.00 -1.32 0.00 0.00 176.35 175.68 3i98 s ALA 108 N 0.31 0.46 0.20 5.97 0.00 0.92 -0.53 121.76 129.10 3i98 s ALA 108 Ca -0.03 -1.17 0.11 0.00 0.00 0.00 0.00 51.96 50.86 3i98 s ALA 108 Cb -0.14 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 3i98 s ALA 108 CO 0.03 -0.46 -0.22 0.14 0.00 0.00 0.00 175.76 175.25 3i98 s VAL 109 N -3.96 2.24 0.17 0.00 -7.23 -0.65 -1.71 120.40 109.25 3i98 s VAL 109 Ca 0.13 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.94 3i98 s VAL 109 Cb 0.07 -2.08 -0.08 0.00 0.56 0.00 0.00 36.38 34.85 3i98 s VAL 109 CO -0.05 -0.21 1.16 -2.16 -0.31 0.00 0.00 175.10 173.53 3i98 s PRO 110 N -2.83 4.52 0.39 4.82 0.04 -1.26 -0.64 135.00 140.03 3i98 s PRO 110 Ca 0.21 1.81 0.08 0.00 0.04 0.00 0.00 61.00 63.13 3i98 s PRO 110 Cb -0.07 -3.27 0.78 0.00 0.04 0.00 0.00 34.50 31.98 3i98 s PRO 110 CO 0.10 -0.05 1.95 0.28 0.04 0.00 0.00 177.00 179.32 3i98 h VAL 111 N 3.84 1.15 -0.76 -0.36 2.07 -1.64 -3.24 116.25 117.32 3i98 h VAL 111 Ca -0.44 -0.60 -0.33 0.00 0.82 0.00 0.00 66.70 66.15 3i98 h VAL 111 Cb 1.21 0.96 -0.20 0.00 -1.52 0.00 0.00 31.29 31.75 3i98 h VAL 111 CO 0.75 0.20 0.36 -0.62 0.02 0.00 0.00 177.57 178.28 3i98 n GLU 112 N -4.34 2.71 -4.05 1.57 -0.58 -1.26 -4.70 120.64 109.99 3i98 n GLU 112 Ca 0.01 -3.06 -0.32 0.00 -0.42 0.00 0.00 57.16 53.37 3i98 n GLU 112 Cb 0.20 -2.11 -0.15 0.00 -0.57 0.00 0.00 31.44 28.81 3i98 n GLU 112 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3i98 s ASP 113 N -1.47 4.07 0.45 1.62 -1.08 -1.22 -5.00 116.67 114.03 3i98 s ASP 113 Ca 0.53 -1.21 0.31 0.00 -0.52 0.00 0.00 52.55 51.66 3i98 s ASP 113 Cb 0.45 -1.45 1.51 0.00 -1.46 0.00 0.00 42.92 41.97 3i98 s ASP 113 CO 0.10 -0.17 1.94 1.55 0.52 0.00 0.00 175.17 179.11 3i98 h PRO 114 N 7.84 0.00 -0.72 4.34 0.13 -1.89 -2.26 132.00 139.44 3i98 h PRO 114 Ca -0.23 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 65.05 3i98 h PRO 114 Cb 1.06 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 3i98 h PRO 114 CO 0.48 0.00 0.49 -0.92 -0.23 0.00 0.00 178.00 177.81 3i98 h TYR 115 N 0.00 0.41 -0.71 1.56 5.03 -1.95 -2.04 116.97 119.28 3i98 h TYR 115 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3i98 h TYR 115 Cb 0.21 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.36 3i98 h TYR 115 CO 0.00 0.16 0.00 1.19 -1.32 0.00 0.00 178.16 178.19 3i98 n PHE 116 N -4.46 1.05 -0.28 -3.82 3.01 -0.85 -4.61 117.46 107.50 3i98 n PHE 116 Ca 0.14 -0.52 0.18 0.00 1.01 0.00 0.00 57.45 58.26 3i98 n PHE 116 Cb 0.55 -0.04 0.46 0.00 -0.01 0.00 0.00 39.48 40.43 3i98 n PHE 116 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3i98 h ASN 117 N 4.17 0.51 -0.28 4.37 2.35 -1.50 -0.22 115.58 124.98 3i98 h ASN 117 Ca 0.00 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3i98 h ASN 117 Cb 1.06 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3i98 h ASN 117 CO 0.04 0.19 0.00 0.47 -1.65 0.00 0.00 177.43 176.48 3i98 n ASP 118 N -4.58 2.40 -4.54 5.81 8.00 -1.26 -4.79 116.55 117.59 3i98 n ASP 118 Ca 0.21 -1.85 -0.43 0.00 0.71 0.00 0.00 54.79 53.44 3i98 n ASP 118 Cb 0.69 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.55 3i98 n ASP 118 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i98 s TRP 119 N -1.65 3.06 0.00 1.24 0.52 -0.10 -4.82 118.94 117.19 3i98 s TRP 119 Ca 0.34 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.58 3i98 s TRP 119 Cb 0.19 -3.40 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 3i98 s TRP 119 CO 0.28 -0.85 0.00 1.63 0.02 0.00 0.00 176.95 178.02 3i98 n LYS 120 N 6.36 3.27 -3.99 4.98 5.02 -1.26 -4.97 118.16 127.57 3i98 n LYS 120 Ca -0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3i98 n LYS 120 Cb 0.48 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.93 3i98 n LYS 120 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i98 s ASP 121 N -0.76 -0.01 0.56 4.39 -1.08 -1.26 -4.68 116.67 113.83 3i98 s ASP 121 Ca 0.00 -0.94 0.24 0.00 -0.52 0.00 0.00 52.55 51.33 3i98 s ASP 121 Cb 0.00 0.49 1.54 0.00 -1.46 0.00 0.00 42.92 43.49 3i98 s ASP 121 CO 0.00 -0.98 2.17 -0.29 0.52 0.00 0.00 175.17 176.58 3i98 h ILE 122 N 2.43 0.72 0.00 4.11 6.09 -1.56 -0.58 117.51 128.73 3i98 h ILE 122 Ca -0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3i98 h ILE 122 Cb 1.24 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.48 3i98 h ILE 122 CO 0.44 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 173.98 3i98 n SER 123 N -4.16 0.00 -0.01 2.19 3.41 -1.26 -2.56 113.62 111.24 3i98 n SER 123 Ca -0.01 0.43 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 3i98 n SER 123 Cb 0.17 -0.47 0.34 0.00 -0.26 0.00 0.00 64.21 64.00 3i98 n SER 123 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3i98 n ASP 124 N -1.47 0.40 -4.75 4.04 8.00 -0.22 -4.88 116.55 117.66 3i98 n ASP 124 Ca 0.05 -0.10 -0.38 0.00 0.71 0.00 0.00 54.79 55.06 3i98 n ASP 124 Cb 0.18 0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.31 3i98 n ASP 124 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i98 s VAL 125 N -2.99 5.03 0.25 2.53 1.01 -1.06 -4.98 120.40 120.19 3i98 s VAL 125 Ca 0.12 1.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.90 3i98 s VAL 125 Cb 0.18 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.55 3i98 s VAL 125 CO 0.66 0.39 1.41 -2.65 0.00 0.00 0.00 175.10 174.91 3i98 n PRO 126 N 3.02 2.09 -0.35 2.72 -0.02 -1.26 -4.86 135.00 136.33 3i98 n PRO 126 Ca -0.07 0.74 0.02 0.00 -2.02 0.00 0.00 63.50 62.16 3i98 n PRO 126 Cb 0.51 -2.40 0.16 0.00 -0.02 0.00 0.00 33.50 31.75 3i98 n PRO 126 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i98 h LYS 127 N 4.11 1.10 -0.13 -0.52 3.64 -1.95 -1.38 116.57 121.43 3i98 h LYS 127 Ca -0.45 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 3i98 h LYS 127 Cb 1.27 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3i98 h LYS 127 CO 0.75 0.73 0.09 0.00 -2.27 0.00 0.00 179.45 178.74 3i98 h ALA 128 N 1.43 1.98 -0.10 5.00 0.00 -1.99 -1.23 119.26 124.35 3i98 h ALA 128 Ca 0.41 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.14 3i98 h ALA 128 Cb 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i98 h ALA 128 CO -0.17 0.00 -0.60 0.35 0.00 0.00 0.00 179.25 178.84 3i98 h PHE 129 N 0.12 0.80 -0.71 0.00 3.57 -1.61 -1.40 116.94 117.70 3i98 h PHE 129 Ca 0.05 -0.36 0.04 0.00 3.53 0.00 0.00 57.97 61.24 3i98 h PHE 129 Cb 0.07 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 3i98 h PHE 129 CO -0.00 1.16 0.43 -0.07 -2.23 0.00 0.00 178.31 177.60 3i98 h LEU 130 N 0.21 0.68 -0.92 0.59 3.38 -1.26 -1.87 115.31 116.12 3i98 h LEU 130 Ca -0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3i98 h LEU 130 Cb 1.24 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3i98 h LEU 130 CO 0.12 0.45 0.51 0.44 0.09 0.00 0.00 178.44 180.06 3i98 h ASP 131 N 0.81 1.14 -0.17 -0.43 3.32 -1.15 -1.31 116.42 118.62 3i98 h ASP 131 Ca 0.30 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3i98 h ASP 131 Cb 0.10 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3i98 h ASP 131 CO -0.14 0.90 -0.31 1.05 -1.72 0.00 0.00 179.24 179.02 3i98 h GLU 132 N 1.28 0.66 -0.21 3.56 4.11 -0.81 -0.02 114.58 123.15 3i98 h GLU 132 Ca 0.32 -0.29 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 3i98 h GLU 132 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3i98 h GLU 132 CO -0.05 0.89 -0.00 0.82 0.07 0.00 0.00 179.01 180.73 3i98 h ILE 133 N 0.56 1.25 -0.79 -1.06 2.04 -1.07 -2.00 117.51 116.46 3i98 h ILE 133 Ca 0.07 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 3i98 h ILE 133 Cb 0.80 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 3i98 h ILE 133 CO 0.07 0.27 0.36 0.00 0.00 0.00 0.00 178.15 178.85 3i98 h ALA 134 N 0.79 1.02 -0.79 1.87 0.00 -1.11 -2.43 119.26 118.60 3i98 h ALA 134 Ca 0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3i98 h ALA 134 Cb 0.40 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3i98 h ALA 134 CO 0.01 0.61 0.31 1.25 0.00 0.00 0.00 179.25 181.43 3i98 h HIS 135 N 1.13 1.21 -0.02 0.00 -0.00 -0.93 0.67 115.15 117.20 3i98 h HIS 135 Ca 0.27 -0.09 0.03 0.00 -0.00 0.00 0.00 60.37 60.58 3i98 h HIS 135 Cb 0.15 -0.36 -0.05 0.00 -0.00 0.00 0.00 27.41 27.15 3i98 h HIS 135 CO 0.01 0.92 -0.29 0.35 -0.00 0.00 0.00 177.93 178.93 3i98 h PHE 136 N 1.16 -0.78 0.00 5.26 3.57 -1.07 -1.86 116.94 123.23 3i98 h PHE 136 Ca 0.26 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.75 3i98 h PHE 136 Cb 0.22 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3i98 h PHE 136 CO 0.02 -0.38 -0.18 0.74 -2.23 0.00 0.00 178.31 176.29 3i98 h PHE 137 N -0.42 0.00 -0.14 0.41 0.04 -1.13 0.15 116.94 115.85 3i98 h PHE 137 Ca 0.07 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.71 3i98 h PHE 137 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3i98 h PHE 137 CO -0.33 0.18 -0.45 0.37 -0.60 0.00 0.00 178.31 177.48 3i98 h GLN 138 N 0.00 0.34 -0.00 1.51 4.15 -0.45 -3.37 115.11 117.29 3i98 h GLN 138 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.24 3i98 h GLN 138 Cb 0.72 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3i98 h GLN 138 CO 0.02 0.73 -0.13 0.54 -1.93 0.00 0.00 178.83 178.06 3i98 n ARG 139 N -3.99 5.95 0.19 1.69 5.12 -0.74 -4.56 116.66 120.32 3i98 n ARG 139 Ca -0.02 -0.01 0.14 0.00 -1.93 0.00 0.00 57.85 56.03 3i98 n ARG 139 Cb 0.52 -0.64 0.58 0.00 -1.16 0.00 0.00 32.46 31.76 3i98 n ARG 139 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 3i98 h TYR 140 N 0.01 0.00 -0.25 -1.55 -0.00 -1.14 -1.92 116.97 112.13 3i98 h TYR 140 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3i98 h TYR 140 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.80 3i98 h TYR 140 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 3i98 n LYS 141 N -2.60 2.77 -0.36 0.10 5.02 -1.26 -4.59 118.16 117.24 3i98 n LYS 141 Ca 0.01 -2.40 0.00 0.00 -2.02 0.00 0.00 58.31 53.90 3i98 n LYS 141 Cb 0.26 -1.52 0.14 0.00 -0.02 0.00 0.00 35.03 33.89 3i98 n LYS 141 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3i98 h GLU 142 N 1.57 1.17 0.00 1.97 4.81 -1.53 -0.75 114.58 121.82 3i98 h GLU 142 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i98 h GLU 142 Cb 1.05 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3i98 h GLU 142 CO 0.10 0.77 0.00 1.28 -0.73 0.00 0.00 179.01 180.43 3i98 n LEU 143 N -4.48 0.27 -0.51 1.64 4.77 -1.26 -1.74 117.00 115.69 3i98 n LEU 143 Ca 0.13 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.78 3i98 n LEU 143 Cb 0.11 -0.49 0.47 0.00 -2.33 0.00 0.00 43.42 41.18 3i98 n LEU 143 CO 0.34 -0.24 0.83 0.00 -1.33 0.00 0.00 177.39 176.99 3i98 n GLN 144 N -1.77 1.68 -1.04 3.23 6.02 -0.30 -4.92 117.38 120.27 3i98 n GLN 144 Ca 0.04 -1.01 -0.01 0.00 -0.01 0.00 0.00 57.00 56.01 3i98 n GLN 144 Cb 0.27 -1.44 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 3i98 n GLN 144 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i98 n GLY 145 N 1.15 0.50 3.86 1.08 0.00 -0.71 -5.01 105.19 106.06 3i98 n GLY 145 Ca 0.18 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3i98 n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i98 s LYS 146 N -1.06 3.79 -0.14 1.61 -0.14 -1.14 -5.04 119.74 117.62 3i98 s LYS 146 Ca 0.00 0.22 -0.02 0.00 -1.36 0.00 0.00 55.97 54.80 3i98 s LYS 146 Cb 0.00 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.14 3i98 s LYS 146 CO 0.00 0.55 -0.07 0.99 -0.76 0.00 0.00 175.35 176.06 3i98 s THR 147 N -1.41 3.63 0.12 2.17 2.01 -1.26 -4.28 115.64 116.63 3i98 s THR 147 Ca 0.34 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.98 3i98 s THR 147 Cb -0.14 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.76 3i98 s THR 147 CO 0.18 0.51 -0.19 0.42 -0.69 0.00 0.00 174.62 174.85 3i98 s THR 148 N 0.30 2.78 -0.14 -0.82 -4.23 -1.26 -2.51 115.64 109.75 3i98 s THR 148 Ca -0.05 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 3i98 s THR 148 Cb -0.15 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.43 3i98 s THR 148 CO 0.04 0.09 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.28 3i98 s LYS 149 N -2.17 2.56 -0.26 3.99 2.47 0.14 -4.93 119.74 121.55 3i98 s LYS 149 Ca 0.18 -0.67 -0.19 0.00 -1.56 0.00 0.00 55.97 53.73 3i98 s LYS 149 Cb -0.10 -2.22 -0.02 0.00 -1.46 0.00 0.00 37.83 34.02 3i98 s LYS 149 CO 0.10 -0.15 0.56 0.42 0.16 0.00 0.00 175.35 176.43 3i98 s ILE 150 N 1.21 5.04 -0.05 5.43 -1.09 -1.26 -0.59 121.20 129.88 3i98 s ILE 150 Ca 0.00 0.98 0.13 0.00 -2.23 0.00 0.00 60.65 59.53 3i98 s ILE 150 Cb -0.14 -3.87 -0.22 0.00 -1.58 0.00 0.00 42.46 36.66 3i98 s ILE 150 CO -0.08 0.07 0.69 -0.62 -1.23 0.00 0.00 174.94 173.78 3i98 n GLU 151 N 5.57 0.63 0.00 2.79 -0.58 0.13 -4.98 120.64 124.20 3i98 n GLU 151 Ca -0.03 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 3i98 n GLU 151 Cb 0.49 -1.80 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 3i98 n GLU 151 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i98 n GLY 152 N 1.53 0.92 3.42 0.62 0.00 -1.12 -4.98 105.19 105.57 3i98 n GLY 152 Ca -0.16 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 3i98 n GLY 152 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i98 s TRP 153 N -1.97 2.76 0.29 1.61 0.52 -1.26 -0.53 118.94 120.35 3i98 s TRP 153 Ca 0.00 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.77 3i98 s TRP 153 Cb 0.00 -1.74 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3i98 s TRP 153 CO 0.00 -0.01 0.43 0.20 0.02 0.00 0.00 176.95 177.58 3i98 s GLY 154 N -0.19 1.41 0.76 0.98 0.00 0.40 -4.95 107.32 105.73 3i98 s GLY 154 Ca 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 44.72 43.29 3i98 s GLY 154 CO 0.03 -1.29 1.04 1.16 0.00 0.00 0.00 173.10 174.03 3i98 n ASN 155 N -1.55 0.40 -0.19 1.64 0.23 -1.26 -2.07 115.26 112.46 3i98 n ASN 155 Ca -0.04 -1.57 0.01 0.00 -0.53 0.00 0.00 54.58 52.45 3i98 n ASN 155 Cb 0.58 -0.76 0.27 0.00 -2.08 0.00 0.00 39.78 37.78 3i98 n ASN 155 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i98 h ALA 156 N -1.46 1.49 -0.43 -2.53 0.00 -1.85 -1.57 119.26 112.91 3i98 h ALA 156 Ca -0.34 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 3i98 h ALA 156 Cb 1.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3i98 h ALA 156 CO 0.27 0.47 -0.20 0.93 0.00 0.00 0.00 179.25 180.72 3i98 h GLU 157 N 0.96 0.86 -0.46 0.00 4.39 -1.93 -1.64 114.58 116.76 3i98 h GLU 157 Ca 0.26 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.48 3i98 h GLU 157 Cb -0.10 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3i98 h GLU 157 CO -0.06 0.98 -0.24 1.49 -1.16 0.00 0.00 179.01 180.03 3i98 h GLU 158 N 0.75 0.95 -0.43 2.33 4.81 -1.80 -1.72 114.58 119.46 3i98 h GLU 158 Ca 0.10 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3i98 h GLU 158 Cb 0.73 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 3i98 h GLU 158 CO 0.06 1.08 0.19 0.00 -0.73 0.00 0.00 179.01 179.61 3i98 h ALA 159 N 0.90 0.54 -0.48 2.92 0.00 -1.11 -1.93 119.26 120.10 3i98 h ALA 159 Ca 0.10 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3i98 h ALA 159 Cb 0.81 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3i98 h ALA 159 CO 0.07 -0.18 -0.08 0.87 0.00 0.00 0.00 179.25 179.93 3i98 h LYS 160 N 0.39 0.86 -0.84 0.00 1.57 -1.10 -0.86 116.57 116.59 3i98 h LYS 160 Ca 0.19 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3i98 h LYS 160 Cb 0.13 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3i98 h LYS 160 CO -0.16 0.91 0.52 -0.09 -0.57 0.00 0.00 179.45 180.06 3i98 h ARG 161 N 0.78 1.14 -0.23 3.15 2.43 -1.11 -1.73 114.38 118.80 3i98 h ARG 161 Ca 0.13 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 3i98 h ARG 161 Cb 0.58 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3i98 h ARG 161 CO 0.04 0.79 -0.50 0.93 -1.51 0.00 0.00 179.97 179.72 3i98 h GLU 162 N 1.16 0.64 -0.49 0.20 4.39 -0.91 -2.36 114.58 117.20 3i98 h GLU 162 Ca 0.30 -0.38 0.02 0.00 0.34 0.00 0.00 59.36 59.65 3i98 h GLU 162 Cb -0.07 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3i98 h GLU 162 CO -0.06 0.99 0.30 0.82 -1.16 0.00 0.00 179.01 179.90 3i98 h ILE 163 N 0.51 1.05 -0.84 3.13 2.04 -0.85 -0.33 117.51 122.22 3i98 h ILE 163 Ca 0.02 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3i98 h ILE 163 Cb 1.04 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3i98 h ILE 163 CO 0.10 0.11 0.55 -0.07 0.00 0.00 0.00 178.15 178.84 3i98 h LEU 164 N 0.59 0.94 -0.74 1.44 3.38 -1.20 -1.12 115.31 118.60 3i98 h LEU 164 Ca 0.20 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3i98 h LEU 164 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3i98 h LEU 164 CO -0.09 0.67 0.24 -0.09 0.09 0.00 0.00 178.44 179.25 3i98 h ARG 165 N 1.10 1.15 -0.05 1.13 2.43 -0.98 -2.00 114.38 117.16 3i98 h ARG 165 Ca 0.32 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 3i98 h ARG 165 Cb -0.08 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3i98 h ARG 165 CO -0.08 0.98 -0.44 0.00 -1.51 0.00 0.00 179.97 178.91 3i98 h ALA 166 N 1.12 1.18 -0.40 2.80 0.00 -0.55 -0.43 119.26 122.98 3i98 h ALA 166 Ca 0.24 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3i98 h ALA 166 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i98 h ALA 166 CO -0.01 0.58 -0.19 0.82 0.00 0.00 0.00 179.25 180.45 3i98 h ILE 167 N 0.09 1.28 0.01 0.00 2.04 -0.89 -1.54 117.51 118.49 3i98 h ILE 167 Ca 0.00 -1.33 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 3i98 h ILE 167 Cb 0.81 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3i98 h ILE 167 CO 0.06 0.45 -0.00 -0.33 0.00 0.00 0.00 178.15 178.32 3i98 h GLU 168 N 0.65 -0.01 -0.57 2.37 5.08 -1.02 -2.63 114.58 118.44 3i98 h GLU 168 Ca 0.09 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.58 3i98 h GLU 168 Cb 0.75 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 3i98 h GLU 168 CO 0.06 0.11 0.40 0.52 -1.00 0.00 0.00 179.01 179.10 3i98 h MET 169 N -0.14 0.20 -0.18 2.33 2.86 -1.04 -0.29 114.93 118.66 3i98 h MET 169 Ca -0.00 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 3i98 h MET 169 Cb 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3i98 h MET 169 CO 0.00 0.13 -0.39 -0.92 1.06 0.00 0.00 176.91 176.79 3i98 h TYR 170 N 0.21 0.75 0.24 -0.22 5.03 -1.29 -1.32 116.97 120.37 3i98 h TYR 170 Ca 0.27 -0.28 0.00 0.00 2.58 0.00 0.00 58.73 61.31 3i98 h TYR 170 Cb 0.80 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.92 3i98 h TYR 170 CO -0.00 1.03 -0.27 0.87 -1.32 0.00 0.00 178.16 178.47 3i98 h LYS 171 N 0.25 -0.53 -0.09 1.82 1.57 -0.75 0.16 116.57 119.01 3i98 h LYS 171 Ca 0.00 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3i98 h LYS 171 Cb 1.00 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 3i98 h LYS 171 CO 0.09 -0.35 -0.18 0.93 -0.57 0.00 0.00 179.45 179.36 3i98 h GLU 172 N -0.55 -0.24 -0.43 3.15 5.08 -1.23 -2.60 114.58 117.76 3i98 h GLU 172 Ca -0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3i98 h GLU 172 Cb 0.52 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 3i98 h GLU 172 CO -0.07 -0.16 0.24 -0.22 -1.00 0.00 0.00 179.01 177.80 3i98 h LYS 173 N -0.25 0.47 0.00 2.33 1.63 -1.01 -3.42 116.57 116.33 3i98 h LYS 173 Ca 0.09 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3i98 h LYS 173 Cb 0.37 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3i98 h LYS 173 CO -0.24 0.31 0.00 1.19 -3.45 0.00 0.00 179.45 177.26 3i98 n PHE 174 N -4.86 0.00 0.00 1.91 3.72 0.54 -5.09 117.46 113.68 3i98 n PHE 174 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3i98 n PHE 174 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 3i98 n PHE 174 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12