#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 n THR 5 N 0.00 -9.82 -1.46 1.12 -1.04 -1.26 -4.65 114.28 97.18 3d29 n THR 5 Ca 0.00 2.39 -0.54 0.00 -2.04 0.00 0.00 64.05 63.86 3d29 n THR 5 Cb 0.00 -4.59 -0.08 0.00 -1.82 0.00 0.00 70.33 63.84 3d29 n THR 5 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3d29 n ASP 6 N 1.88 1.93 -1.43 8.00 4.64 -1.26 -4.77 116.55 125.54 3d29 n ASP 6 Ca 0.00 0.59 0.08 0.00 -1.38 0.00 0.00 54.79 54.08 3d29 n ASP 6 Cb 0.00 -1.17 0.33 0.00 -1.04 0.00 0.00 41.12 39.24 3d29 n ASP 6 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3d29 n ARG 7 N 7.56 3.73 -2.86 -0.67 1.74 -1.26 -4.61 116.66 120.29 3d29 n ARG 7 Ca 0.41 -2.85 -0.42 0.00 -0.77 0.00 0.00 57.85 54.22 3d29 n ARG 7 Cb 0.16 -1.89 0.01 0.00 -1.02 0.00 0.00 32.46 29.72 3d29 n ARG 7 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3d29 n TYR 8 N 0.70 2.42 1.08 -1.55 4.01 -1.26 -4.72 117.16 117.85 3d29 n TYR 8 Ca 0.24 -2.57 0.09 0.00 -0.16 0.00 0.00 57.90 55.51 3d29 n TYR 8 Cb 0.90 -1.25 0.32 0.00 -0.31 0.00 0.00 39.34 39.00 3d29 n TYR 8 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3d29 n SER 9 N 0.86 1.83 -4.79 7.72 3.41 -1.26 -0.15 113.62 121.23 3d29 n SER 9 Ca 0.34 -1.79 -0.22 0.00 -0.26 0.00 0.00 58.87 56.94 3d29 n SER 9 Cb 0.31 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 3d29 n SER 9 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3d29 s PHE 10 N -1.71 3.02 0.31 7.33 -0.12 -1.26 -4.44 117.98 121.10 3d29 s PHE 10 Ca 0.31 -0.15 -0.29 0.00 -0.05 0.00 0.00 56.93 56.75 3d29 s PHE 10 Cb 0.17 -1.40 -0.10 0.00 -0.63 0.00 0.00 43.02 41.06 3d29 s PHE 10 CO 0.24 0.51 1.30 -1.12 -0.05 0.00 0.00 175.22 176.11 3d29 s SER 11 N -3.83 6.81 0.00 1.98 0.01 -1.26 -1.37 113.70 116.04 3d29 s SER 11 Ca 0.33 2.63 0.23 0.00 1.31 0.00 0.00 55.95 60.45 3d29 s SER 11 Cb -0.07 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.58 3d29 s SER 11 CO 0.24 -0.52 1.13 0.18 0.41 0.00 0.00 173.24 174.69 3d29 n LEU 12 N 1.17 1.85 -4.11 2.44 4.77 -1.26 -4.77 117.00 117.09 3d29 n LEU 12 Ca 0.01 -0.68 -0.33 0.00 -0.03 0.00 0.00 56.01 54.98 3d29 n LEU 12 Cb 0.42 -0.02 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 3d29 n LEU 12 CO 0.59 0.35 -0.52 -0.89 -1.33 0.00 0.00 177.39 175.59 3d29 s THR 13 N -2.51 2.09 0.30 -5.08 2.01 -1.26 -4.86 115.64 106.33 3d29 s THR 13 Ca 0.18 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.14 3d29 s THR 13 Cb 0.18 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3d29 s THR 13 CO 0.58 0.43 0.13 0.42 -0.69 0.00 0.00 174.62 175.50 3d29 s THR 14 N 1.26 0.48 0.11 -0.82 -4.23 -1.26 -4.88 115.64 106.29 3d29 s THR 14 Ca 0.02 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.28 3d29 s THR 14 Cb -0.14 -2.55 -0.07 0.00 1.34 0.00 0.00 72.50 71.08 3d29 s THR 14 CO -0.11 0.00 0.79 -0.36 -0.54 0.00 0.00 174.62 174.40 3d29 s PHE 15 N -3.59 3.82 0.50 3.99 0.08 -1.26 -4.22 117.98 117.30 3d29 s PHE 15 Ca 0.35 1.58 -0.00 0.00 0.12 0.00 0.00 56.93 58.98 3d29 s PHE 15 Cb 0.06 -2.82 0.01 0.00 -0.57 0.00 0.00 43.02 39.69 3d29 s PHE 15 CO 0.16 0.38 0.73 -1.54 -0.10 0.00 0.00 175.22 174.85 3d29 s SER 16 N -0.54 5.61 0.50 1.36 1.04 0.08 -4.93 113.70 116.82 3d29 s SER 16 Ca 0.38 0.24 0.22 0.00 0.48 0.00 0.00 55.95 57.27 3d29 s SER 16 Cb -0.22 -1.34 1.29 0.00 0.10 0.00 0.00 66.02 65.85 3d29 s SER 16 CO 0.25 -0.89 1.99 -0.65 0.98 0.00 0.00 173.24 174.92 3d29 h PRO 17 N 0.22 0.12 0.00 4.02 0.11 -1.97 0.27 132.00 134.75 3d29 h PRO 17 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3d29 h PRO 17 Cb 1.27 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d29 h PRO 17 CO 0.56 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 3d29 n SER 18 N -4.41 0.00 0.00 -2.05 3.41 -1.26 -4.86 113.62 104.45 3d29 n SER 18 Ca 0.10 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3d29 n SER 18 Cb 0.55 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3d29 n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d29 n GLY 19 N 0.62 0.81 3.90 5.00 0.00 0.94 -5.08 105.19 111.39 3d29 n GLY 19 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3d29 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d29 s LYS 20 N -0.77 3.64 -0.58 1.61 -0.14 -1.26 -4.76 119.74 117.48 3d29 s LYS 20 Ca 0.00 0.13 -0.02 0.00 -1.36 0.00 0.00 55.97 54.72 3d29 s LYS 20 Cb 0.00 -2.52 0.15 0.00 -1.68 0.00 0.00 37.83 33.78 3d29 s LYS 20 CO 0.00 0.06 0.39 -0.51 -0.76 0.00 0.00 175.35 174.52 3d29 s LEU 21 N -3.95 5.13 0.17 3.17 1.43 -1.26 -0.74 118.68 122.63 3d29 s LEU 21 Ca 0.46 -2.77 -0.25 0.00 -1.03 0.00 0.00 54.13 50.54 3d29 s LEU 21 Cb -0.10 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.34 3d29 s LEU 21 CO 0.34 -0.37 1.57 1.23 0.23 0.00 0.00 176.35 179.34 3d29 h GLY 22 N 7.09 -0.44 0.13 -3.19 0.00 -1.97 -1.84 103.07 102.85 3d29 h GLY 22 Ca -0.04 0.56 0.20 0.00 0.00 0.00 0.00 47.33 48.06 3d29 h GLY 22 CO 0.71 -0.16 0.62 1.46 0.00 0.00 0.00 176.54 179.16 3d29 h GLN 23 N -0.22 0.62 -0.18 4.80 1.08 -1.89 0.23 115.11 119.55 3d29 h GLN 23 Ca 0.18 -0.04 -0.22 0.00 -1.45 0.00 0.00 58.65 57.13 3d29 h GLN 23 Cb 0.56 -0.14 0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3d29 h GLN 23 CO -0.70 0.41 -0.74 0.82 -0.95 0.00 0.00 178.83 177.67 3d29 h ILE 24 N 0.64 1.27 -0.24 2.54 2.04 -1.75 -0.71 117.51 121.31 3d29 h ILE 24 Ca 0.56 -1.93 -0.00 0.00 1.00 0.00 0.00 64.86 64.49 3d29 h ILE 24 Cb 1.04 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 3d29 h ILE 24 CO -0.33 0.62 0.14 0.44 0.00 0.00 0.00 178.15 179.02 3d29 h ASP 25 N 0.57 0.28 -0.97 1.72 3.45 -0.40 -0.02 116.42 121.05 3d29 h ASP 25 Ca -0.04 -0.05 0.02 0.00 0.43 0.00 0.00 57.03 57.38 3d29 h ASP 25 Cb 1.37 -0.07 -0.05 0.00 -0.56 0.00 0.00 39.33 40.02 3d29 h ASP 25 CO 0.16 0.25 0.64 1.88 -1.57 0.00 0.00 179.24 180.60 3d29 h TYR 26 N 0.29 1.21 -0.51 4.55 0.05 -0.60 0.41 116.97 122.37 3d29 h TYR 26 Ca 0.08 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.90 3d29 h TYR 26 Cb 0.02 -0.41 -0.03 0.00 1.01 0.00 0.00 36.73 37.33 3d29 h TYR 26 CO -0.05 0.74 0.33 0.00 -1.05 0.00 0.00 178.16 178.13 3d29 h ALA 27 N 1.37 0.64 -0.97 3.88 0.00 -0.62 -0.74 119.26 122.82 3d29 h ALA 27 Ca 0.36 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.30 3d29 h ALA 27 Cb -0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 3d29 h ALA 27 CO -0.09 0.06 0.63 -0.07 0.00 0.00 0.00 179.25 179.78 3d29 h LEU 28 N 0.66 1.02 -0.47 0.00 3.38 0.40 -1.42 115.31 118.89 3d29 h LEU 28 Ca 0.19 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3d29 h LEU 28 Cb -0.05 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3d29 h LEU 28 CO -0.05 0.67 0.29 0.74 0.09 0.00 0.00 178.44 180.18 3d29 h THR 29 N 1.17 1.08 -0.52 0.22 2.02 0.10 -1.17 112.91 115.80 3d29 h THR 29 Ca 0.41 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.39 3d29 h THR 29 Cb 0.11 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3d29 h THR 29 CO -0.16 0.11 0.32 0.00 0.37 0.00 0.00 175.52 176.16 3d29 h ALA 30 N 1.19 1.58 -0.57 6.16 0.00 -0.23 -1.75 119.26 125.65 3d29 h ALA 30 Ca 0.18 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3d29 h ALA 30 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3d29 h ALA 30 CO -0.06 0.37 0.07 0.28 0.00 0.00 0.00 179.25 179.90 3d29 h VAL 31 N 0.72 1.26 -0.88 0.00 2.07 -0.27 -2.74 116.25 116.42 3d29 h VAL 31 Ca 0.19 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.76 3d29 h VAL 31 Cb -0.04 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3d29 h VAL 31 CO -0.04 0.37 0.57 0.11 0.02 0.00 0.00 177.57 178.60 3d29 h LYS 32 N 0.85 0.95 0.00 1.57 1.79 -0.37 -1.27 116.57 120.08 3d29 h LYS 32 Ca 0.17 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 3d29 h LYS 32 Cb 0.45 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3d29 h LYS 32 CO 0.02 0.63 0.00 1.96 -1.08 0.00 0.00 179.45 180.97 3d29 h GLN 33 N 0.98 0.00 -7.34 3.15 1.08 -1.16 -1.36 115.11 110.45 3d29 h GLN 33 Ca 0.38 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 57.08 3d29 h GLN 33 Cb 0.23 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 27.78 3d29 h GLN 33 CO -0.14 0.00 0.31 0.20 -0.95 0.00 0.00 178.83 178.25 3d29 s GLY 34 N -3.80 1.65 0.35 3.46 0.00 -0.48 -4.66 107.32 103.84 3d29 s GLY 34 Ca 0.06 0.06 -0.28 0.00 0.00 0.00 0.00 44.72 44.55 3d29 s GLY 34 CO 0.52 0.46 1.44 0.14 0.00 0.00 0.00 173.10 175.66 3d29 s VAL 35 N -2.98 2.26 0.43 1.40 1.01 -1.26 0.23 120.40 121.49 3d29 s VAL 35 Ca 0.61 0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.59 3d29 s VAL 35 Cb -0.16 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 3d29 s VAL 35 CO 0.56 0.06 1.24 0.41 0.00 0.00 0.00 175.10 177.37 3d29 n THR 36 N 0.73 2.62 -3.82 3.92 -1.04 -1.26 -4.55 114.28 110.88 3d29 n THR 36 Ca 0.01 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 3d29 n THR 36 Cb 0.40 -1.52 -0.10 0.00 -1.82 0.00 0.00 70.33 67.29 3d29 n THR 36 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3d29 s SER 37 N -0.58 -0.10 0.16 8.00 1.04 -0.89 -3.61 113.70 117.73 3d29 s SER 37 Ca 0.62 0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.99 3d29 s SER 37 Cb -0.51 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 3d29 s SER 37 CO 0.57 -0.35 0.23 -1.48 0.98 0.00 0.00 173.24 173.20 3d29 s LEU 38 N -1.12 1.12 -0.02 2.42 0.05 -0.12 -1.20 118.68 119.81 3d29 s LEU 38 Ca -0.12 -0.98 -0.01 0.00 0.05 0.00 0.00 54.13 53.07 3d29 s LEU 38 Cb -0.06 0.97 0.01 0.00 -2.05 0.00 0.00 46.19 45.07 3d29 s LEU 38 CO 0.02 -0.87 0.04 -0.83 -0.55 0.00 0.00 176.35 174.17 3d29 s GLY 39 N -3.00 -0.00 -0.06 -3.48 0.00 0.22 -1.50 107.32 99.49 3d29 s GLY 39 Ca 0.20 0.17 -0.00 0.00 0.00 0.00 0.00 44.72 45.09 3d29 s GLY 39 CO 0.02 0.25 -0.02 -0.42 0.00 0.00 0.00 173.10 172.93 3d29 s ILE 40 N 0.28 0.45 -0.19 0.90 1.01 0.65 -0.99 121.20 123.31 3d29 s ILE 40 Ca -0.02 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.51 3d29 s ILE 40 Cb -0.03 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.84 3d29 s ILE 40 CO -0.01 0.25 0.27 -0.75 0.00 0.00 0.00 174.94 174.70 3d29 s LYS 41 N 1.54 4.20 0.44 2.79 2.20 0.39 -0.47 119.74 130.84 3d29 s LYS 41 Ca -0.01 0.02 0.05 0.00 -0.36 0.00 0.00 55.97 55.67 3d29 s LYS 41 Cb -0.13 -3.47 0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3d29 s LYS 41 CO -0.03 0.16 0.41 0.00 -0.36 0.00 0.00 175.35 175.53 3d29 n ALA 42 N 3.87 0.76 0.18 3.13 0.00 0.17 -4.89 120.51 123.73 3d29 n ALA 42 Ca -0.12 -1.74 0.06 0.00 0.00 0.00 0.00 53.44 51.64 3d29 n ALA 42 Cb 0.52 0.65 0.23 0.00 0.00 0.00 0.00 19.45 20.85 3d29 n ALA 42 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3d29 h THR 43 N 0.48 0.74 -0.51 0.00 1.35 -1.17 -3.31 112.91 110.49 3d29 h THR 43 Ca -0.26 -1.69 -0.36 0.00 -0.55 0.00 0.00 66.41 63.55 3d29 h THR 43 Cb 1.01 2.10 -0.38 0.00 -1.73 0.00 0.00 68.15 69.15 3d29 h THR 43 CO 0.40 0.37 -0.93 -0.46 -0.25 0.00 0.00 175.52 174.64 3d29 n ASN 44 N -3.34 3.06 0.00 5.36 6.94 -1.26 -4.98 115.26 121.04 3d29 n ASN 44 Ca 0.01 -2.95 0.00 0.00 -0.02 0.00 0.00 54.58 51.62 3d29 n ASN 44 Cb 0.59 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 3d29 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d29 n GLY 45 N -0.61 0.26 3.03 4.83 0.00 -1.25 -4.62 105.19 106.83 3d29 n GLY 45 Ca 0.25 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3d29 n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 46 N -1.98 0.27 -0.02 1.61 1.01 -0.48 0.45 120.40 121.25 3d29 s VAL 46 Ca 0.00 -1.13 0.02 0.00 0.00 0.00 0.00 61.98 60.87 3d29 s VAL 46 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3d29 s VAL 46 CO 0.00 -0.55 -0.06 0.54 0.00 0.00 0.00 175.10 175.03 3d29 s VAL 47 N -1.87 0.54 -0.03 2.92 0.11 0.38 -1.43 120.40 121.01 3d29 s VAL 47 Ca -0.10 -0.23 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 3d29 s VAL 47 Cb -0.07 -0.49 -0.00 0.00 -1.53 0.00 0.00 36.38 34.29 3d29 s VAL 47 CO -0.02 0.18 -0.11 0.27 -3.33 0.00 0.00 175.10 172.08 3d29 s ILE 48 N 0.19 0.96 0.18 7.04 -4.36 -0.89 -0.26 121.20 124.06 3d29 s ILE 48 Ca -0.02 -0.47 -0.11 0.00 -0.26 0.00 0.00 60.65 59.79 3d29 s ILE 48 Cb -0.07 -0.83 -0.00 0.00 1.25 0.00 0.00 42.46 42.81 3d29 s ILE 48 CO -0.00 0.29 0.36 0.00 0.24 0.00 0.00 174.94 175.82 3d29 s ALA 49 N 0.05 -0.22 0.23 2.27 0.00 -0.56 -1.84 121.76 121.68 3d29 s ALA 49 Ca -0.01 -0.74 -0.23 0.00 0.00 0.00 0.00 51.96 50.98 3d29 s ALA 49 Cb -0.08 0.89 0.04 0.00 0.00 0.00 0.00 23.12 23.96 3d29 s ALA 49 CO 0.01 -0.70 0.81 -0.08 0.00 0.00 0.00 175.76 175.79 3d29 s THR 50 N -3.95 0.00 -0.06 0.00 -1.32 -0.31 -0.94 115.64 109.05 3d29 s THR 50 Ca 0.16 -0.85 -0.13 0.00 -1.21 0.00 0.00 61.69 59.67 3d29 s THR 50 Cb 0.02 -1.96 -0.05 0.00 -1.51 0.00 0.00 72.50 68.99 3d29 s THR 50 CO 0.00 0.00 0.33 -0.70 -2.21 0.00 0.00 174.62 172.04 3d29 s GLU 51 N -3.68 3.89 -1.03 7.08 2.12 -1.24 -1.04 118.70 124.81 3d29 s GLU 51 Ca 0.11 0.23 -0.15 0.00 0.36 0.00 0.00 54.97 55.52 3d29 s GLU 51 Cb -0.04 -3.26 0.17 0.00 0.26 0.00 0.00 34.13 31.26 3d29 s GLU 51 CO 0.05 0.60 1.18 0.15 -0.54 0.00 0.00 175.26 176.70 3d29 s LYS 52 N -0.69 3.83 -1.06 4.30 1.02 0.33 -4.89 119.74 122.58 3d29 s LYS 52 Ca 0.20 -2.28 -0.23 0.00 0.02 0.00 0.00 55.97 53.69 3d29 s LYS 52 Cb -0.15 -4.87 -0.12 0.00 -0.52 0.00 0.00 37.83 32.18 3d29 s LYS 52 CO 0.09 -1.66 1.93 1.17 -0.92 0.00 0.00 175.35 175.97 3d29 n LYS 53 N 5.53 1.48 -1.67 1.68 3.00 -1.26 -4.78 118.16 122.13 3d29 n LYS 53 Ca 0.27 -2.27 -0.48 0.00 -0.00 0.00 0.00 58.31 55.84 3d29 n LYS 53 Cb 0.46 -3.53 -0.05 0.00 0.00 0.00 0.00 35.03 31.91 3d29 n LYS 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3d29 n SER 54 N 13.00 3.01 -2.06 3.14 2.88 -1.26 -4.88 113.62 127.45 3d29 n SER 54 Ca 0.46 1.05 -0.22 0.00 -1.33 0.00 0.00 58.87 58.83 3d29 n SER 54 Cb 0.45 -1.37 0.12 0.00 -0.75 0.00 0.00 64.21 62.66 3d29 n SER 54 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3d29 n SER 55 N 4.34 4.71 0.00 -3.46 7.64 -1.26 -4.83 113.62 120.76 3d29 n SER 55 Ca 0.19 -3.39 0.00 0.00 1.01 0.00 0.00 58.87 56.68 3d29 n SER 55 Cb 0.27 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 3d29 n SER 55 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3d29 n SER 56 N -0.75 0.00 0.12 6.43 2.88 -1.26 -4.96 113.62 116.08 3d29 n SER 56 Ca 0.50 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.15 3d29 n SER 56 Cb 1.22 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 65.16 3d29 n SER 56 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d29 n PRO 57 N -0.16 0.16 0.11 -1.46 -0.04 -1.26 -1.27 135.00 131.08 3d29 n PRO 57 Ca 0.00 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.04 3d29 n PRO 57 Cb 0.00 -1.84 0.23 0.00 -0.04 0.00 0.00 33.50 31.85 3d29 n PRO 57 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3d29 h LEU 58 N 0.00 0.00 -9.77 1.53 3.38 -2.00 -3.45 115.31 105.00 3d29 h LEU 58 Ca 0.00 -0.08 -0.49 0.00 0.09 0.00 0.00 57.88 57.40 3d29 h LEU 58 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3d29 h LEU 58 CO 0.00 0.04 0.34 0.00 0.09 0.00 0.00 178.44 178.91 3d29 s ALA 59 N -3.18 3.33 -0.58 1.53 0.00 -0.40 -5.01 121.76 117.46 3d29 s ALA 59 Ca 0.07 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 3d29 s ALA 59 Cb 0.11 -3.19 0.12 0.00 0.00 0.00 0.00 23.12 20.16 3d29 s ALA 59 CO 0.68 0.21 0.61 -1.64 0.00 0.00 0.00 175.76 175.62 3d29 s MET 60 N -1.31 3.04 0.67 0.00 -1.94 -1.26 -4.92 119.30 113.57 3d29 s MET 60 Ca 0.42 -1.56 0.33 0.00 -1.71 0.00 0.00 55.69 53.17 3d29 s MET 60 Cb -0.25 -4.30 1.79 0.00 2.01 0.00 0.00 34.83 34.08 3d29 s MET 60 CO 0.31 -1.43 2.01 0.66 -0.01 0.00 0.00 175.02 176.55 3d29 h SER 61 N 8.99 0.00 0.53 3.03 4.64 -1.93 -1.07 113.55 127.74 3d29 h SER 61 Ca -0.28 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 3d29 h SER 61 Cb 1.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3d29 h SER 61 CO 1.06 0.00 -0.56 -0.33 -0.87 0.00 0.00 176.83 176.13 3d29 h GLU 62 N 0.00 0.04 0.00 4.77 3.07 -1.92 -2.72 114.58 117.82 3d29 h GLU 62 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3d29 h GLU 62 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3d29 h GLU 62 CO 0.00 0.59 0.00 0.25 -1.40 0.00 0.00 179.01 178.45 3d29 n THR 63 N -3.88 1.31 -4.81 1.13 -2.24 -0.40 -4.54 114.28 100.84 3d29 n THR 63 Ca -0.01 0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.84 3d29 n THR 63 Cb 0.57 -1.22 -0.16 0.00 -2.10 0.00 0.00 70.33 67.42 3d29 n THR 63 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3d29 s LEU 64 N -2.83 1.91 -0.15 3.22 0.20 -1.03 -5.12 118.68 114.87 3d29 s LEU 64 Ca 0.04 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.52 3d29 s LEU 64 Cb 0.04 -0.94 0.02 0.00 -0.43 0.00 0.00 46.19 44.88 3d29 s LEU 64 CO 0.11 0.15 -0.13 -0.44 -0.29 0.00 0.00 176.35 175.74 3d29 s SER 65 N 0.05 2.74 0.28 3.68 0.01 -1.26 -4.96 113.70 114.24 3d29 s SER 65 Ca -0.04 -0.52 0.23 0.00 1.31 0.00 0.00 55.95 56.93 3d29 s SER 65 Cb -0.11 -1.17 0.19 0.00 0.21 0.00 0.00 66.02 65.13 3d29 s SER 65 CO 0.02 -0.07 1.30 0.11 0.41 0.00 0.00 173.24 175.01 3d29 h LYS 66 N 8.05 0.00 -4.74 12.44 1.57 -1.95 -3.42 116.57 128.52 3d29 h LYS 66 Ca -0.37 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.73 3d29 h LYS 66 Cb 1.13 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.19 3d29 h LYS 66 CO 0.52 0.00 -0.58 0.08 -0.57 0.00 0.00 179.45 178.90 3d29 s VAL 67 N -3.28 4.29 0.04 0.50 1.01 -1.26 -4.05 120.40 117.65 3d29 s VAL 67 Ca 0.03 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.42 3d29 s VAL 67 Cb 0.08 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3d29 s VAL 67 CO 0.73 -0.01 -0.21 -0.44 0.00 0.00 0.00 175.10 175.18 3d29 s SER 68 N 1.54 3.60 -0.12 3.32 0.01 0.69 -4.93 113.70 117.81 3d29 s SER 68 Ca 0.03 -0.47 -0.24 0.00 1.31 0.00 0.00 55.95 56.58 3d29 s SER 68 Cb -0.18 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 3d29 s SER 68 CO 0.05 0.26 0.75 -0.22 0.41 0.00 0.00 173.24 174.49 3d29 s LEU 69 N -1.34 4.24 -0.25 2.44 0.20 -1.26 -0.22 118.68 122.50 3d29 s LEU 69 Ca 0.13 1.16 -0.13 0.00 0.69 0.00 0.00 54.13 55.98 3d29 s LEU 69 Cb -0.10 -3.14 -0.15 0.00 -0.43 0.00 0.00 46.19 42.37 3d29 s LEU 69 CO 0.04 -0.25 -0.15 0.18 -0.29 0.00 0.00 176.35 175.87 3d29 n LEU 70 N 4.51 2.12 -4.21 -0.68 4.77 0.73 -4.96 117.00 119.27 3d29 n LEU 70 Ca 0.01 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 56.16 3d29 n LEU 70 Cb 0.50 -0.89 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 3d29 n LEU 70 CO 0.47 0.57 -0.30 0.42 -1.33 0.00 0.00 177.39 177.23 3d29 s THR 71 N -2.48 0.38 -0.96 -5.08 -4.23 -1.05 -4.71 115.64 97.51 3d29 s THR 71 Ca -0.35 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.21 3d29 s THR 71 Cb 0.11 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3d29 s THR 71 CO 0.55 -0.38 0.92 -0.81 -0.54 0.00 0.00 174.62 174.36 3d29 n PRO 72 N -0.21 0.00 -0.05 3.99 -0.04 -1.26 -1.45 135.00 135.98 3d29 n PRO 72 Ca -0.05 0.42 0.02 0.00 -0.04 0.00 0.00 63.50 63.86 3d29 n PRO 72 Cb 0.64 -1.55 0.03 0.00 -0.04 0.00 0.00 33.50 32.59 3d29 n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3d29 n ASP 73 N -1.42 1.61 -3.82 3.54 8.00 -1.26 -0.88 116.55 122.31 3d29 n ASP 73 Ca 0.00 -2.10 -0.15 0.00 0.71 0.00 0.00 54.79 53.25 3d29 n ASP 73 Cb 0.05 -0.12 -0.15 0.00 -0.02 0.00 0.00 41.12 40.87 3d29 n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3d29 s ILE 74 N -1.21 0.06 0.20 0.53 1.01 -0.53 -1.51 121.20 119.75 3d29 s ILE 74 Ca 0.08 0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.87 3d29 s ILE 74 Cb 0.07 -0.14 -0.05 0.00 0.01 0.00 0.00 42.46 42.35 3d29 s ILE 74 CO 0.01 0.09 -0.07 -0.83 0.00 0.00 0.00 174.94 174.13 3d29 s GLY 75 N 0.70 1.40 0.03 6.18 0.00 0.12 -0.20 107.32 115.57 3d29 s GLY 75 Ca -0.06 -1.67 -0.00 0.00 0.00 0.00 0.00 44.72 42.98 3d29 s GLY 75 CO -0.02 -1.68 -0.04 0.00 0.00 0.00 0.00 173.10 171.37 3d29 s ALA 76 N -3.26 0.31 0.18 3.20 0.00 0.70 -1.54 121.76 121.35 3d29 s ALA 76 Ca 0.24 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 3d29 s ALA 76 Cb 0.03 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3d29 s ALA 76 CO 0.06 -0.22 0.27 0.54 0.00 0.00 0.00 175.76 176.41 3d29 s VAL 77 N -2.31 0.05 0.22 0.00 0.11 -0.70 -0.22 120.40 117.55 3d29 s VAL 77 Ca -0.07 -1.55 -0.04 0.00 -2.93 0.00 0.00 61.98 57.39 3d29 s VAL 77 Cb -0.04 -2.04 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 3d29 s VAL 77 CO -0.04 -0.22 0.36 0.00 -3.33 0.00 0.00 175.10 171.87 3d29 n TYR 78 N -0.24 -1.31 -3.67 1.54 4.11 -1.26 -1.35 117.16 114.99 3d29 n TYR 78 Ca -0.05 -1.34 -0.08 0.00 -0.00 0.00 0.00 57.90 56.43 3d29 n TYR 78 Cb 0.63 0.41 -0.09 0.00 -0.00 0.00 0.00 39.34 40.29 3d29 n TYR 78 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 3d29 s SER 79 N -2.30 -0.62 0.00 9.48 0.01 -1.04 -4.58 113.70 114.64 3d29 s SER 79 Ca 0.15 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.54 3d29 s SER 79 Cb -0.01 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.41 3d29 s SER 79 CO 0.11 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.15 3d29 n GLY 80 N 4.64 0.31 3.55 3.44 0.00 -1.26 -2.45 105.19 113.43 3d29 n GLY 80 Ca -0.18 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 3d29 n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d29 s MET 81 N -0.95 3.32 0.26 1.61 -1.94 -0.14 -4.80 119.30 116.66 3d29 s MET 81 Ca 0.00 -0.10 -0.03 0.00 -1.71 0.00 0.00 55.69 53.86 3d29 s MET 81 Cb 0.00 -4.11 0.53 0.00 2.01 0.00 0.00 34.83 33.26 3d29 s MET 81 CO 0.00 -1.89 1.69 0.78 -0.01 0.00 0.00 175.02 175.59 3d29 h GLY 82 N 12.31 1.17 1.32 -0.03 0.00 -1.95 -1.24 103.07 114.64 3d29 h GLY 82 Ca -0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3d29 h GLY 82 CO 1.22 -0.21 0.39 -2.55 0.00 0.00 0.00 176.54 175.39 3d29 h PRO 83 N 0.32 0.90 -0.31 4.80 0.11 -2.00 -0.49 132.00 135.34 3d29 h PRO 83 Ca 0.45 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.46 3d29 h PRO 83 Cb 0.79 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3d29 h PRO 83 CO -0.51 0.65 0.11 -0.44 -0.21 0.00 0.00 178.00 177.60 3d29 h ASP 84 N 0.92 0.44 -0.56 -2.05 3.45 -1.64 -2.76 116.42 114.22 3d29 h ASP 84 Ca 0.24 -0.18 0.06 0.00 0.43 0.00 0.00 57.03 57.58 3d29 h ASP 84 Cb -0.02 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.59 3d29 h ASP 84 CO -0.04 0.51 0.26 0.22 -1.57 0.00 0.00 179.24 178.61 3d29 h TYR 85 N 0.35 0.47 0.02 4.55 3.20 -0.93 -1.01 116.97 123.63 3d29 h TYR 85 Ca 0.10 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.02 3d29 h TYR 85 Cb 0.21 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3d29 h TYR 85 CO -0.00 0.20 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.39 3d29 h ARG 86 N 0.49 -0.37 -0.16 1.82 2.43 -0.89 0.77 114.38 118.47 3d29 h ARG 86 Ca 0.26 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3d29 h ARG 86 Cb 0.22 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3d29 h ARG 86 CO -0.21 -0.25 -0.16 -0.39 -1.51 0.00 0.00 179.97 177.46 3d29 h VAL 87 N -0.39 1.20 -0.19 0.20 -1.51 -1.23 -1.65 116.25 112.68 3d29 h VAL 87 Ca 0.06 -0.89 -0.04 0.00 -1.23 0.00 0.00 66.70 64.59 3d29 h VAL 87 Cb 0.46 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 3d29 h VAL 87 CO -0.20 0.28 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.28 3d29 h LEU 88 N 0.25 0.27 -0.30 4.19 3.38 -0.14 -1.50 115.31 121.46 3d29 h LEU 88 Ca 0.05 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3d29 h LEU 88 Cb 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3d29 h LEU 88 CO 0.03 0.38 -0.18 0.58 0.09 0.00 0.00 178.44 179.34 3d29 h VAL 89 N 0.28 1.30 -0.54 1.22 2.07 0.07 -0.88 116.25 119.75 3d29 h VAL 89 Ca 0.06 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3d29 h VAL 89 Cb 0.31 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3d29 h VAL 89 CO 0.01 0.41 0.29 0.44 0.02 0.00 0.00 177.57 178.74 3d29 h ASP 90 N 0.39 0.69 -0.58 0.57 3.32 -1.07 -0.96 116.42 118.78 3d29 h ASP 90 Ca 0.06 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.92 3d29 h ASP 90 Cb 0.71 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3d29 h ASP 90 CO 0.05 0.60 0.04 0.11 -1.72 0.00 0.00 179.24 178.31 3d29 h LYS 91 N 0.73 1.02 -0.53 3.56 1.57 -1.23 -2.25 116.57 119.43 3d29 h LYS 91 Ca 0.19 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 3d29 h LYS 91 Cb 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3d29 h LYS 91 CO -0.03 0.98 -0.01 0.77 -0.57 0.00 0.00 179.45 180.59 3d29 h SER 92 N 0.95 0.89 -0.26 0.86 0.02 -0.81 0.98 113.55 116.18 3d29 h SER 92 Ca 0.18 -0.24 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 3d29 h SER 92 Cb 0.50 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3d29 h SER 92 CO 0.02 0.96 -0.32 0.03 -1.14 0.00 0.00 176.83 176.39 3d29 h ARG 93 N 0.84 0.77 -0.15 3.45 3.08 -1.07 -2.58 114.38 118.74 3d29 h ARG 93 Ca 0.15 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 3d29 h ARG 93 Cb 0.52 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3d29 h ARG 93 CO 0.03 0.98 -0.16 -0.22 -1.07 0.00 0.00 179.97 179.53 3d29 h LYS 94 N 0.65 0.37 0.00 0.04 3.64 -1.06 -3.16 116.57 117.05 3d29 h LYS 94 Ca 0.07 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3d29 h LYS 94 Cb 0.85 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3d29 h LYS 94 CO 0.07 0.76 -0.16 -0.24 -2.27 0.00 0.00 179.45 177.61 3d29 h VAL 95 N -0.01 0.83 0.00 2.00 3.04 -0.81 0.66 116.25 121.97 3d29 h VAL 95 Ca 0.02 -0.62 -0.05 0.00 -1.01 0.00 0.00 66.70 65.04 3d29 h VAL 95 Cb 0.70 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.34 3d29 h VAL 95 CO 0.04 0.16 -0.22 0.00 -1.01 0.00 0.00 177.57 176.54 3d29 h ALA 96 N 1.84 1.40 0.00 3.17 0.00 -1.42 -1.48 119.26 122.77 3d29 h ALA 96 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3d29 h ALA 96 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3d29 h ALA 96 CO 0.02 0.28 -0.24 0.45 0.00 0.00 0.00 179.25 179.76 3d29 h HIS 97 N 0.00 0.00 -0.22 0.00 -0.00 -1.02 -1.58 115.15 112.32 3d29 h HIS 97 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 3d29 h HIS 97 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 3d29 h HIS 97 CO 0.00 0.00 0.16 1.79 -0.00 0.00 0.00 177.93 179.88 3d29 h THR 98 N -0.75 0.89 -0.34 2.45 1.35 -1.02 -1.28 112.91 114.21 3d29 h THR 98 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3d29 h THR 98 Cb 0.24 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3d29 h THR 98 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 3d29 n SER 99 N -4.47 2.92 0.14 5.36 7.64 -0.56 -4.77 113.62 119.88 3d29 n SER 99 Ca 0.02 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 57.97 3d29 n SER 99 Cb 0.30 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3d29 n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d29 n TYR 100 N 0.67 -3.31 -0.25 1.43 4.19 -0.99 -4.88 117.16 114.02 3d29 n TYR 100 Ca 0.12 0.86 0.03 0.00 3.31 0.00 0.00 57.90 62.23 3d29 n TYR 100 Cb 0.43 2.19 0.26 0.00 0.49 0.00 0.00 39.34 42.71 3d29 n TYR 100 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 3d29 h LYS 101 N 0.00 0.94 0.00 2.98 3.64 -1.06 0.17 116.57 123.25 3d29 h LYS 101 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3d29 h LYS 101 Cb 0.00 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3d29 h LYS 101 CO 0.00 0.62 0.00 0.54 -2.27 0.00 0.00 179.45 178.34 3d29 n ARG 102 N -4.46 0.16 -0.12 1.90 1.74 -0.52 -0.40 116.66 114.96 3d29 n ARG 102 Ca 0.11 0.34 -0.23 0.00 -0.77 0.00 0.00 57.85 57.30 3d29 n ARG 102 Cb 0.14 -1.77 -0.09 0.00 -1.02 0.00 0.00 32.46 29.72 3d29 n ARG 102 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3d29 n ILE 10 N -2.07 1.52 0.83 0.55 2.08 -0.12 -4.69 119.36 117.46 3d29 n ILE 10 Ca 0.03 -0.19 0.10 0.00 0.56 0.00 0.00 62.75 63.25 3d29 n ILE 10 Cb 0.25 -2.02 0.07 0.00 -0.75 0.00 0.00 39.64 37.19 3d29 n ILE 10 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 3d29 n TYR 103 N -4.35 0.00 -2.34 1.39 4.01 -0.22 -4.98 117.16 110.68 3d29 n TYR 103 Ca -0.40 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.17 3d29 n TYR 103 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.77 3d29 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d29 n GLY 104 N 1.14 -0.32 3.38 2.72 0.00 0.47 -4.98 105.19 107.60 3d29 n GLY 104 Ca 0.11 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 3d29 n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3d29 s GLU 105 N -4.86 0.93 0.55 1.61 -1.05 -1.25 -5.04 118.70 109.59 3d29 s GLU 105 Ca 0.01 -0.11 -0.20 0.00 -0.15 0.00 0.00 54.97 54.52 3d29 s GLU 105 Cb -0.00 0.43 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 3d29 s GLU 105 CO 0.01 -0.31 1.15 0.71 0.95 0.00 0.00 175.26 177.78 3d29 s TYR 106 N -1.84 2.62 0.60 4.83 2.02 -1.26 -3.46 117.35 120.86 3d29 s TYR 106 Ca -0.09 1.53 -0.17 0.00 -0.37 0.00 0.00 57.07 57.98 3d29 s TYR 106 Cb -0.02 -3.35 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 3d29 s TYR 106 CO 0.03 -1.73 1.11 -1.25 -1.57 0.00 0.00 175.55 172.13 3d29 s PRO 107 N -3.24 3.10 0.61 -1.71 0.04 -1.26 -4.96 135.00 127.57 3d29 s PRO 107 Ca 0.73 1.44 -0.16 0.00 0.04 0.00 0.00 61.00 63.05 3d29 s PRO 107 Cb -0.26 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 3d29 s PRO 107 CO 0.29 -1.02 1.08 -1.25 0.04 0.00 0.00 177.00 176.14 3d29 s PRO 108 N -3.79 3.16 0.20 0.56 0.04 -1.26 -4.83 135.00 129.09 3d29 s PRO 108 Ca 0.68 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 3d29 s PRO 108 Cb -0.21 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.50 3d29 s PRO 108 CO 0.35 -0.95 1.59 1.15 0.04 0.00 0.00 177.00 179.18 3d29 h THR 109 N 0.43 0.18 -0.87 1.26 2.02 -1.93 -2.07 112.91 111.93 3d29 h THR 109 Ca -0.47 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.78 3d29 h THR 109 Cb 1.23 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.77 3d29 h THR 109 CO 0.56 0.00 0.56 0.07 0.37 0.00 0.00 175.52 177.09 3d29 h LYS 110 N -0.11 0.91 -0.21 6.66 2.10 -1.99 -1.78 116.57 122.15 3d29 h LYS 110 Ca 0.27 -0.05 -0.13 0.00 -2.00 0.00 0.00 60.65 58.74 3d29 h LYS 110 Cb 0.55 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 3d29 h LYS 110 CO -0.72 0.60 -0.37 -0.07 -2.00 0.00 0.00 179.45 176.90 3d29 h LEU 111 N 0.94 0.68 -0.55 7.07 3.38 -1.75 -0.31 115.31 124.76 3d29 h LEU 111 Ca 0.38 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3d29 h LEU 111 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3d29 h LEU 111 CO -0.15 1.09 0.26 0.25 0.09 0.00 0.00 178.44 179.98 3d29 h LEU 112 N 0.30 0.72 -1.38 1.67 5.85 -1.34 0.85 115.31 121.98 3d29 h LEU 112 Ca 0.01 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3d29 h LEU 112 Cb 0.96 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3d29 h LEU 112 CO 0.08 0.65 0.46 0.58 -0.34 0.00 0.00 178.44 179.88 3d29 h VAL 113 N 0.74 1.05 -0.66 1.05 2.07 -1.25 0.20 116.25 119.44 3d29 h VAL 113 Ca 0.19 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 3d29 h VAL 113 Cb 0.12 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3d29 h VAL 113 CO -0.02 0.14 0.14 -1.28 0.02 0.00 0.00 177.57 176.57 3d29 h SER 114 N 0.77 1.03 -0.06 0.57 0.87 0.75 -0.35 113.55 117.13 3d29 h SER 114 Ca 0.30 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3d29 h SER 114 Cb 0.19 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3d29 h SER 114 CO -0.09 1.01 0.00 -0.33 -0.53 0.00 0.00 176.83 176.89 3d29 h GLU 115 N 1.00 0.11 -0.15 2.24 4.39 0.92 -1.60 114.58 121.50 3d29 h GLU 115 Ca 0.21 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 59.91 3d29 h GLU 115 Cb 0.40 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 3d29 h GLU 115 CO 0.01 0.37 -0.11 0.28 -1.16 0.00 0.00 179.01 178.40 3d29 h VAL 116 N -0.17 0.69 -0.94 3.13 2.07 -0.94 -1.58 116.25 118.51 3d29 h VAL 116 Ca 0.02 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.67 3d29 h VAL 116 Cb 0.32 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.69 3d29 h VAL 116 CO 0.00 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.15 3d29 h ALA 117 N 1.00 1.42 -0.53 1.67 0.00 -1.02 -0.54 119.26 121.27 3d29 h ALA 117 Ca 0.09 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3d29 h ALA 117 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3d29 h ALA 117 CO -0.22 0.10 0.22 -0.22 0.00 0.00 0.00 179.25 179.14 3d29 h LYS 118 N 0.85 0.79 -0.91 0.00 3.64 -0.38 -0.69 116.57 119.87 3d29 h LYS 118 Ca 0.48 -0.14 0.09 0.00 -1.27 0.00 0.00 60.65 59.81 3d29 h LYS 118 Cb 0.55 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 32.17 3d29 h LYS 118 CO -0.30 0.68 0.56 0.82 -2.27 0.00 0.00 179.45 178.94 3d29 h ILE 119 N 0.71 0.98 -0.24 2.00 2.04 -0.23 -1.03 117.51 121.74 3d29 h ILE 119 Ca 0.18 -0.33 -0.17 0.00 1.00 0.00 0.00 64.86 65.54 3d29 h ILE 119 Cb 0.18 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 3d29 h ILE 119 CO -0.02 0.17 -0.53 0.24 0.00 0.00 0.00 178.15 178.01 3d29 h MET 120 N 0.96 0.71 -0.66 2.37 2.86 -0.91 -3.06 114.93 117.20 3d29 h MET 120 Ca 0.42 -0.44 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3d29 h MET 120 Cb 0.31 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3d29 h MET 120 CO -0.22 1.06 0.26 0.37 1.06 0.00 0.00 176.91 179.45 3d29 h GLN 121 N 0.55 0.97 -0.41 1.72 -0.00 -0.10 -2.36 115.11 115.48 3d29 h GLN 121 Ca 0.02 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.65 58.48 3d29 h GLN 121 Cb 1.11 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.40 3d29 h GLN 121 CO 0.11 0.79 0.12 0.93 0.00 0.00 0.00 178.83 180.78 3d29 h GLU 122 N 0.95 0.59 0.00 1.69 5.08 -1.14 -0.70 114.58 121.05 3d29 h GLU 122 Ca 0.22 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3d29 h GLU 122 Cb 0.19 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3d29 h GLU 122 CO -0.02 0.53 0.00 0.00 -1.00 0.00 0.00 179.01 178.52 3d29 n ALA 123 N -2.47 2.27 0.62 3.43 0.00 -0.89 -0.21 120.51 123.26 3d29 n ALA 123 Ca 0.03 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.42 3d29 n ALA 123 Cb 0.18 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 3d29 n ALA 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3d29 n THR 124 N -0.96 0.00 0.00 0.00 -1.04 -0.27 -2.87 114.28 109.14 3d29 n THR 124 Ca 0.14 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3d29 n THR 124 Cb 0.07 0.83 0.00 0.00 -1.82 0.00 0.00 70.33 69.41 3d29 n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3d29 n GLN 125 N -1.52 0.98 -0.70 -2.82 7.27 -0.76 -4.58 117.38 115.25 3d29 n GLN 125 Ca 0.02 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.77 3d29 n GLN 125 Cb 0.29 -0.63 0.16 0.00 2.41 0.00 0.00 30.24 32.47 3d29 n GLN 125 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3d29 n SER 126 N -0.96 -0.55 -4.80 1.69 7.64 0.71 -4.53 113.62 112.81 3d29 n SER 126 Ca 0.00 0.35 -0.33 0.00 1.01 0.00 0.00 58.87 59.90 3d29 n SER 126 Cb 0.13 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 61.92 3d29 n SER 126 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3d29 s GLY 127 N -2.42 2.39 -0.91 0.23 0.00 -1.26 -4.13 107.32 101.21 3d29 s GLY 127 Ca 0.64 0.51 0.00 0.00 0.00 0.00 0.00 44.72 45.86 3d29 s GLY 127 CO 0.61 0.82 0.00 0.61 0.00 0.00 0.00 173.10 175.14 3d29 n GLY 128 N -0.54 0.89 3.37 0.20 0.00 0.78 -4.84 105.19 105.06 3d29 n GLY 128 Ca 0.09 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3d29 n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 129 N -1.91 1.12 0.27 1.61 -7.23 -1.26 -5.02 120.40 107.98 3d29 s VAL 129 Ca 0.00 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.23 3d29 s VAL 129 Cb 0.00 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 3d29 s VAL 129 CO 0.00 -0.22 0.02 0.00 -0.31 0.00 0.00 175.10 174.59 3d29 s ARG 130 N -3.86 2.38 0.76 4.82 1.70 -1.26 -4.30 118.95 119.18 3d29 s ARG 130 Ca 0.31 -1.38 -0.11 0.00 -0.47 0.00 0.00 55.73 54.09 3d29 s ARG 130 Cb 0.06 -2.21 0.05 0.00 -0.57 0.00 0.00 34.95 32.28 3d29 s ARG 130 CO 0.11 0.36 1.08 -2.14 -1.08 0.00 0.00 175.30 173.63 3d29 s PRO 131 N -3.70 2.39 0.22 3.89 0.02 -1.14 -4.77 135.00 131.92 3d29 s PRO 131 Ca 0.32 1.05 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 3d29 s PRO 131 Cb -0.06 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 3d29 s PRO 131 CO 0.21 -1.51 1.15 -0.06 -0.33 0.00 0.00 177.00 176.45 3d29 s PHE 132 N -2.96 3.49 -0.38 6.54 0.40 -1.26 -4.93 117.98 118.87 3d29 s PHE 132 Ca 0.60 1.55 -0.04 0.00 -0.60 0.00 0.00 56.93 58.44 3d29 s PHE 132 Cb -0.16 -3.37 0.03 0.00 0.51 0.00 0.00 43.02 40.03 3d29 s PHE 132 CO 0.56 -0.91 2.83 0.41 0.70 0.00 0.00 175.22 178.80 3d29 n GLY 133 N 1.77 4.14 3.21 4.36 0.00 -1.26 -4.57 105.19 112.84 3d29 n GLY 133 Ca 0.02 -1.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 3d29 n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d29 s VAL 134 N -1.82 0.14 -0.01 1.61 -7.23 -1.26 -0.96 120.40 110.86 3d29 s VAL 134 Ca 0.58 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.53 3d29 s VAL 134 Cb 0.36 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 3d29 s VAL 134 CO -0.18 -0.63 -0.19 -0.44 -0.31 0.00 0.00 175.10 173.35 3d29 s SER 135 N -2.88 2.27 0.18 4.85 0.01 -1.02 -3.31 113.70 113.79 3d29 s SER 135 Ca 0.07 -0.35 0.10 0.00 1.31 0.00 0.00 55.95 57.07 3d29 s SER 135 Cb 0.05 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 3d29 s SER 135 CO -0.09 0.23 -0.15 -0.76 0.41 0.00 0.00 173.24 172.88 3d29 s LEU 136 N -0.48 2.76 -0.21 2.44 1.43 0.35 -2.51 118.68 122.47 3d29 s LEU 136 Ca 0.07 -0.68 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3d29 s LEU 136 Cb -0.07 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.71 3d29 s LEU 136 CO -0.01 0.12 -0.08 -0.76 0.23 0.00 0.00 176.35 175.85 3d29 s LEU 137 N -2.72 2.32 -0.14 1.79 1.43 -0.45 -1.07 118.68 119.83 3d29 s LEU 137 Ca 0.23 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.37 3d29 s LEU 137 Cb -0.09 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3d29 s LEU 137 CO 0.13 -0.18 -0.15 -0.63 0.23 0.00 0.00 176.35 175.75 3d29 s ILE 138 N 1.42 2.79 -0.03 -0.59 1.01 0.06 -1.72 121.20 124.14 3d29 s ILE 138 Ca -0.03 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 59.94 3d29 s ILE 138 Cb -0.17 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 3d29 s ILE 138 CO -0.07 0.52 -0.19 0.00 0.00 0.00 0.00 174.94 175.20 3d29 s ALA 139 N 0.62 1.57 0.20 9.38 0.00 -0.59 -0.19 121.76 132.75 3d29 s ALA 139 Ca -0.08 -0.78 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 3d29 s ALA 139 Cb -0.16 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.55 3d29 s ALA 139 CO 0.03 0.35 0.48 0.41 0.00 0.00 0.00 175.76 177.03 3d29 n GLY 140 N 2.80 1.30 3.06 0.00 0.00 -0.86 -0.70 105.19 110.80 3d29 n GLY 140 Ca -0.16 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 3d29 n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d29 s HIS 141 N -4.82 0.01 -0.11 1.61 2.46 -0.57 -1.33 115.29 112.54 3d29 s HIS 141 Ca 0.10 -0.03 -0.17 0.00 0.47 0.00 0.00 55.06 55.43 3d29 s HIS 141 Cb -0.03 -0.03 0.04 0.00 -0.13 0.00 0.00 32.58 32.43 3d29 s HIS 141 CO 0.06 -0.21 0.43 0.16 -2.47 0.00 0.00 174.74 172.71 3d29 s ASP 142 N -0.93 -0.41 0.30 9.88 1.47 -0.71 -4.72 116.67 121.56 3d29 s ASP 142 Ca -0.10 0.65 -0.01 0.00 1.18 0.00 0.00 52.55 54.27 3d29 s ASP 142 Cb -0.06 0.71 0.67 0.00 -0.34 0.00 0.00 42.92 43.90 3d29 s ASP 142 CO 0.01 -0.28 1.57 -0.08 0.68 0.00 0.00 175.17 177.07 3d29 h GLU 143 N 4.75 0.01 -0.20 2.11 4.81 -2.00 0.20 114.58 124.26 3d29 h GLU 143 Ca -0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3d29 h GLU 143 Cb 1.17 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3d29 h GLU 143 CO 0.29 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.77 3d29 n PHE 144 N -5.52 0.25 -0.15 0.92 3.01 -1.26 -4.25 117.46 110.46 3d29 n PHE 144 Ca 0.21 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3d29 n PHE 144 Cb 0.68 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 3d29 n PHE 144 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3d29 n ASN 145 N 0.66 0.09 0.00 4.37 3.02 -0.50 -5.13 115.26 117.78 3d29 n ASN 145 Ca 0.17 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 3d29 n ASN 145 Cb 0.42 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 3d29 n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d29 n GLY 146 N 0.28 2.08 3.89 7.41 0.00 0.60 -4.73 105.19 114.73 3d29 n GLY 146 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 3d29 n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d29 s PHE 147 N 0.00 3.48 0.10 1.61 0.40 -1.26 -1.73 117.98 120.57 3d29 s PHE 147 Ca 0.00 0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 56.86 3d29 s PHE 147 Cb 0.00 -2.11 0.03 0.00 0.51 0.00 0.00 43.02 41.45 3d29 s PHE 147 CO 0.00 0.40 0.37 -1.54 0.70 0.00 0.00 175.22 175.15 3d29 s SER 14 N -2.31 -0.19 -0.02 1.36 1.04 -0.44 -4.99 113.70 108.15 3d29 s SER 14 Ca 0.42 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.56 3d29 s SER 14 Cb -0.12 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.47 3d29 s SER 14 CO 0.23 -0.78 0.02 -0.22 0.98 0.00 0.00 173.24 173.46 3d29 s LEU 148 N -2.60 1.12 0.11 2.42 2.96 -1.26 -2.03 118.68 119.41 3d29 s LEU 148 Ca 0.01 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 3d29 s LEU 148 Cb 0.02 -0.14 -0.04 0.00 0.50 0.00 0.00 46.19 46.53 3d29 s LEU 148 CO -0.09 -0.12 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.39 3d29 s TYR 149 N 1.05 1.25 -0.05 5.38 2.02 0.73 -0.90 117.35 126.82 3d29 s TYR 149 Ca -0.09 -0.60 0.05 0.00 -0.37 0.00 0.00 57.07 56.06 3d29 s TYR 149 Cb -0.13 -0.66 -0.01 0.00 -0.40 0.00 0.00 41.96 40.76 3d29 s TYR 149 CO -0.02 0.08 -0.22 -1.14 -1.57 0.00 0.00 175.55 172.68 3d29 s GLN 150 N -2.71 2.27 -0.13 -0.62 0.74 -0.42 -0.76 119.66 118.04 3d29 s GLN 150 Ca 0.07 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.69 3d29 s GLN 150 Cb -0.04 -1.93 0.02 0.00 1.10 0.00 0.00 33.01 32.16 3d29 s GLN 150 CO 0.02 0.33 -0.12 0.08 -0.55 0.00 0.00 175.29 175.04 3d29 s VAL 151 N -0.08 1.36 0.35 1.34 1.01 -0.24 -1.64 120.40 122.50 3d29 s VAL 151 Ca -0.04 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3d29 s VAL 151 Cb -0.13 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 3d29 s VAL 151 CO 0.03 0.42 0.50 -1.81 0.00 0.00 0.00 175.10 174.25 3d29 s ASP 152 N 1.42 6.01 0.66 3.32 -0.00 -0.19 -0.50 116.67 127.39 3d29 s ASP 152 Ca 0.02 -0.00 0.28 0.00 -0.00 0.00 0.00 52.55 52.85 3d29 s ASP 152 Cb -0.13 -1.44 1.55 0.00 -0.00 0.00 0.00 42.92 42.89 3d29 s ASP 152 CO -0.07 -0.43 1.87 -0.65 -0.00 0.00 0.00 175.17 175.89 3d29 h PRO 153 N 0.81 0.00 0.00 8.23 0.11 -1.80 0.21 132.00 139.57 3d29 h PRO 153 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3d29 h PRO 153 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3d29 h PRO 153 CO 0.55 0.00 -0.31 0.66 -0.21 0.00 0.00 178.00 178.70 3d29 h SER 154 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.82 3d29 h SER 154 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3d29 h SER 154 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3d29 h SER 154 CO -0.00 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 3d29 n GLY 155 N 1.03 0.68 3.80 -0.77 0.00 0.75 -4.28 105.19 106.39 3d29 n GLY 155 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3d29 n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d29 s SER 156 N -1.83 6.81 0.01 1.61 0.01 -1.25 -4.69 113.70 114.36 3d29 s SER 156 Ca 0.00 1.88 -0.07 0.00 1.31 0.00 0.00 55.95 59.07 3d29 s SER 156 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3d29 s SER 156 CO 0.00 -0.45 0.14 -0.72 0.41 0.00 0.00 173.24 172.62 3d29 s TYR 157 N -1.87 0.04 0.02 2.43 -0.85 -1.25 -1.02 117.35 114.85 3d29 s TYR 157 Ca 0.60 -0.15 -0.06 0.00 -0.52 0.00 0.00 57.07 56.94 3d29 s TYR 157 Cb -0.17 -0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.12 3d29 s TYR 157 CO 0.21 -0.30 0.11 -0.06 -1.52 0.00 0.00 175.55 173.99 3d29 s PHE 158 N -1.48 0.14 0.13 -3.49 0.40 -0.65 -4.94 117.98 108.07 3d29 s PHE 158 Ca -0.14 -0.35 -0.21 0.00 -0.60 0.00 0.00 56.93 55.63 3d29 s PHE 158 Cb -0.07 -0.10 -0.07 0.00 0.51 0.00 0.00 43.02 43.28 3d29 s PHE 158 CO 0.01 -0.32 0.66 -1.25 0.70 0.00 0.00 175.22 175.02 3d29 s PRO 159 N -2.01 4.32 0.13 0.24 0.04 -1.26 -1.30 135.00 135.16 3d29 s PRO 159 Ca -0.10 0.89 0.05 0.00 0.04 0.00 0.00 61.00 61.87 3d29 s PRO 159 Cb -0.05 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 3d29 s PRO 159 CO -0.02 0.57 -0.11 -1.58 0.04 0.00 0.00 177.00 175.90 3d29 s TRP 160 N -1.20 1.27 -0.12 0.56 0.52 -0.08 -4.98 118.94 114.91 3d29 s TRP 160 Ca 0.34 -0.67 -0.02 0.00 0.02 0.00 0.00 56.10 55.77 3d29 s TRP 160 Cb -0.20 -0.66 -0.25 0.00 -1.15 0.00 0.00 33.47 31.21 3d29 s TRP 160 CO 0.22 0.09 0.37 1.63 0.02 0.00 0.00 176.95 179.28 3d29 n LYS 161 N 0.17 0.73 -3.54 4.98 5.02 -1.26 -4.26 118.16 119.99 3d29 n LYS 161 Ca -0.13 0.25 -0.11 0.00 -2.02 0.00 0.00 58.31 56.30 3d29 n LYS 161 Cb 0.59 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.85 3d29 n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d29 s ALA 162 N -2.56 -1.87 -0.05 7.82 0.00 -1.26 -0.46 121.76 123.38 3d29 s ALA 162 Ca -0.20 1.37 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 3d29 s ALA 162 Cb 0.07 -0.27 0.12 0.00 0.00 0.00 0.00 23.12 23.04 3d29 s ALA 162 CO 0.77 -0.42 1.35 -0.08 0.00 0.00 0.00 175.76 177.37 3d29 s THR 163 N -1.67 0.00 0.03 0.00 -1.32 -0.16 -4.99 115.64 107.53 3d29 s THR 163 Ca -0.02 -0.11 -0.12 0.00 -1.21 0.00 0.00 61.69 60.23 3d29 s THR 163 Cb -0.01 -2.40 0.01 0.00 -1.51 0.00 0.00 72.50 68.59 3d29 s THR 163 CO 0.00 0.00 0.25 0.00 -2.21 0.00 0.00 174.62 172.67 3d29 s ALA 164 N -2.14 -0.56 0.14 11.08 0.00 -1.26 -0.61 121.76 128.42 3d29 s ALA 164 Ca 0.21 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.13 3d29 s ALA 164 Cb 0.04 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 3d29 s ALA 164 CO -0.04 -0.35 0.00 0.96 0.00 0.00 0.00 175.76 176.33 3d29 s ILE 165 N -2.27 0.51 0.00 0.00 -4.36 -0.34 -4.79 121.20 109.95 3d29 s ILE 165 Ca -0.07 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 3d29 s ILE 165 Cb -0.02 -2.00 0.00 0.00 1.25 0.00 0.00 42.46 41.69 3d29 s ILE 165 CO -0.02 -0.56 0.00 0.61 0.24 0.00 0.00 174.94 175.21 3d29 n GLY 166 N -0.16 -1.82 0.00 6.27 0.00 -1.26 -2.09 105.19 106.14 3d29 n GLY 166 Ca -0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3d29 n GLY 166 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d29 n LYS 167 N 0.00 0.00 -1.80 1.61 4.81 0.14 -2.35 118.16 120.57 3d29 n LYS 167 Ca 0.00 0.53 -0.35 0.00 -0.87 0.00 0.00 58.31 57.63 3d29 n LYS 167 Cb 0.00 -0.83 0.05 0.00 0.02 0.00 0.00 35.03 34.27 3d29 n LYS 167 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3d29 n GLY 168 N -0.96 5.82 0.24 3.14 0.00 -1.26 -4.72 105.19 107.46 3d29 n GLY 168 Ca 0.00 -2.48 -0.09 0.00 0.00 0.00 0.00 46.02 43.45 3d29 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d29 h SER 169 N 2.49 0.77 0.14 1.61 4.64 -1.72 -1.36 113.55 120.11 3d29 h SER 169 Ca 0.52 -0.22 0.02 0.00 -0.47 0.00 0.00 61.79 61.64 3d29 h SER 169 Cb 0.61 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 3d29 h SER 169 CO 1.34 0.79 -0.29 0.58 -0.87 0.00 0.00 176.83 178.37 3d29 h VAL 170 N 0.71 0.37 -0.19 0.95 2.07 -1.85 0.47 116.25 118.79 3d29 h VAL 170 Ca 0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 3d29 h VAL 170 Cb 0.31 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3d29 h VAL 170 CO -0.00 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.70 3d29 h ALA 171 N 0.16 0.24 -0.60 1.67 0.00 -1.94 -1.95 119.26 116.84 3d29 h ALA 171 Ca 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3d29 h ALA 171 Cb 0.54 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3d29 h ALA 171 CO -0.15 -0.26 0.38 0.00 0.00 0.00 0.00 179.25 179.22 3d29 h ALA 172 N 1.03 0.77 -0.20 0.00 0.00 -0.94 -1.40 119.26 118.53 3d29 h ALA 172 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3d29 h ALA 172 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3d29 h ALA 172 CO -0.01 0.15 0.12 0.87 0.00 0.00 0.00 179.25 180.37 3d29 h LYS 173 N 0.77 0.27 -0.87 0.00 1.57 0.13 -0.61 116.57 117.84 3d29 h LYS 173 Ca 0.23 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 59.08 3d29 h LYS 173 Cb -0.04 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 3d29 h LYS 173 CO -0.07 0.23 0.51 1.15 -0.57 0.00 0.00 179.45 180.69 3d29 h THR 174 N 0.24 0.92 -0.40 -0.16 2.02 -1.05 -0.53 112.91 113.94 3d29 h THR 174 Ca 0.07 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 3d29 h THR 174 Cb 0.03 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 3d29 h THR 174 CO -0.01 0.15 -0.16 0.15 0.37 0.00 0.00 175.52 176.02 3d29 h PHE 175 N 0.85 0.82 -0.28 3.16 3.57 -0.68 -2.94 116.94 121.43 3d29 h PHE 175 Ca 0.42 -0.16 -0.13 0.00 3.53 0.00 0.00 57.97 61.62 3d29 h PHE 175 Cb 0.38 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3d29 h PHE 175 CO -0.05 0.85 -0.36 -0.07 -2.23 0.00 0.00 178.31 176.46 3d29 h LEU 176 N 0.66 0.66 -1.26 0.59 3.38 -0.10 -2.89 115.31 116.36 3d29 h LEU 176 Ca 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3d29 h LEU 176 Cb 0.64 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3d29 h LEU 176 CO 0.04 0.96 0.47 -0.33 0.09 0.00 0.00 178.44 179.67 3d29 h GLU 177 N 0.53 0.96 -0.10 1.13 5.08 -0.97 0.49 114.58 121.70 3d29 h GLU 177 Ca 0.05 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 3d29 h GLU 177 Cb 0.86 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3d29 h GLU 177 CO 0.07 0.65 -0.60 0.87 -1.00 0.00 0.00 179.01 179.01 3d29 h LYS 178 N 0.99 0.34 0.00 2.33 1.57 -1.39 -3.32 116.57 117.09 3d29 h LYS 178 Ca 0.27 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3d29 h LYS 178 Cb -0.09 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3d29 h LYS 178 CO -0.06 0.84 -1.51 0.54 -0.57 0.00 0.00 179.45 178.69 3d29 n ARG 179 N -3.90 0.60 -2.74 3.15 5.12 -0.98 -4.97 116.66 112.95 3d29 n ARG 179 Ca -0.03 -0.05 -0.37 0.00 -1.93 0.00 0.00 57.85 55.47 3d29 n ARG 179 Cb 0.62 -1.65 -0.06 0.00 -1.16 0.00 0.00 32.46 30.21 3d29 n ARG 179 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 3d29 s TRP 180 N -3.42 3.67 0.07 -1.55 -0.00 0.13 -5.06 118.94 112.77 3d29 s TRP 180 Ca -0.04 1.78 -0.19 0.00 -0.00 0.00 0.00 56.10 57.65 3d29 s TRP 180 Cb 0.12 -2.97 0.04 0.00 -0.00 0.00 0.00 33.47 30.66 3d29 s TRP 180 CO 0.85 0.11 0.44 0.54 -0.00 0.00 0.00 176.95 178.89 3d29 s ASN 181 N -1.53 -0.32 0.00 5.86 2.20 -1.26 -4.97 114.94 114.92 3d29 s ASN 181 Ca 0.50 -0.03 0.00 0.00 -0.94 0.00 0.00 52.86 52.38 3d29 s ASN 181 Cb -0.20 0.46 0.00 0.00 -2.00 0.00 0.00 41.25 39.50 3d29 s ASN 181 CO 0.26 -0.73 0.49 -0.90 -2.94 0.00 0.00 177.10 173.28 3d29 n ASP 182 N 0.29 1.27 0.00 3.54 3.85 -1.26 -2.96 116.55 121.28 3d29 n ASP 182 Ca -0.18 -1.41 0.00 0.00 -0.71 0.00 0.00 54.79 52.50 3d29 n ASP 182 Cb 0.61 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 3d29 n ASP 182 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3d29 n GLU 183 N 0.35 0.79 -1.94 0.11 1.02 -1.26 -4.88 120.64 114.83 3d29 n GLU 183 Ca 0.00 -0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 55.99 3d29 n GLU 183 Cb 0.25 -0.76 -0.01 0.00 -0.02 0.00 0.00 31.44 30.89 3d29 n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3d29 s LEU 184 N -0.33 4.37 0.48 -4.62 1.43 -1.15 -4.85 118.68 114.00 3d29 s LEU 184 Ca 0.00 2.86 0.01 0.00 -1.03 0.00 0.00 54.13 55.98 3d29 s LEU 184 Cb 0.00 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3d29 s LEU 184 CO 0.00 -0.73 0.69 -0.70 0.23 0.00 0.00 176.35 175.84 3d29 s GLU 185 N -1.63 2.89 0.13 1.70 -6.30 -1.26 -0.63 118.70 113.59 3d29 s GLU 185 Ca 0.53 -0.65 -0.19 0.00 -2.50 0.00 0.00 54.97 52.16 3d29 s GLU 185 Cb -0.44 -2.56 -0.01 0.00 0.00 0.00 0.00 34.13 31.12 3d29 s GLU 185 CO 0.56 -0.40 1.72 1.25 0.02 0.00 0.00 175.26 178.41 3d29 h LEU 186 N 0.33 -0.08 -1.48 2.70 5.85 -1.90 -1.57 115.31 119.16 3d29 h LEU 186 Ca -0.45 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.46 3d29 h LEU 186 Cb 1.27 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 3d29 h LEU 186 CO 0.55 -0.01 0.52 -0.33 -0.34 0.00 0.00 178.44 178.83 3d29 h GLU 187 N 0.08 0.51 -0.02 1.25 4.39 -1.96 0.12 114.58 118.94 3d29 h GLU 187 Ca 0.11 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 3d29 h GLU 187 Cb 0.13 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3d29 h GLU 187 CO -0.18 0.34 -0.00 -0.44 -1.16 0.00 0.00 179.01 177.57 3d29 h ASP 188 N 0.52 0.04 -0.89 1.42 3.45 -1.73 -1.18 116.42 118.05 3d29 h ASP 188 Ca 0.39 -0.33 0.05 0.00 0.43 0.00 0.00 57.03 57.57 3d29 h ASP 188 Cb 0.76 -0.01 -0.06 0.00 -0.56 0.00 0.00 39.33 39.46 3d29 h ASP 188 CO -0.14 0.36 0.57 0.00 -1.57 0.00 0.00 179.24 178.46 3d29 h ALA 189 N 0.68 1.21 -0.26 3.45 0.00 -0.23 0.12 119.26 124.23 3d29 h ALA 189 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3d29 h ALA 189 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3d29 h ALA 189 CO 0.00 0.37 0.12 0.82 0.00 0.00 0.00 179.25 180.56 3d29 h ILE 190 N 1.06 1.15 0.06 0.00 2.04 -0.72 0.23 117.51 121.33 3d29 h ILE 190 Ca 0.37 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3d29 h ILE 190 Cb 0.10 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3d29 h ILE 190 CO -0.15 0.15 -0.07 -0.74 0.00 0.00 0.00 178.15 177.35 3d29 h HIS 191 N 0.28 -0.17 -1.00 1.37 2.76 -0.60 -0.59 115.15 117.20 3d29 h HIS 191 Ca 0.09 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.33 3d29 h HIS 191 Cb 0.13 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.09 3d29 h HIS 191 CO -0.02 -0.11 0.64 0.82 -1.30 0.00 0.00 177.93 177.97 3d29 h ILE 192 N -0.15 1.07 -0.11 6.26 1.08 -0.57 -1.37 117.51 123.71 3d29 h ILE 192 Ca 0.01 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 3d29 h ILE 192 Cb 0.15 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 33.71 3d29 h ILE 192 CO -0.03 0.21 0.06 0.00 -0.69 0.00 0.00 178.15 177.70 3d29 h ALA 193 N 1.47 0.14 -0.78 1.87 0.00 0.00 -0.17 119.26 121.80 3d29 h ALA 193 Ca 0.44 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3d29 h ALA 193 Cb 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3d29 h ALA 193 CO -0.18 -0.32 0.46 -0.07 0.00 0.00 0.00 179.25 179.14 3d29 h LEU 194 N 0.08 0.94 -0.09 0.00 3.38 -0.49 -1.05 115.31 118.08 3d29 h LEU 194 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3d29 h LEU 194 Cb 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3d29 h LEU 194 CO -0.01 0.73 0.02 -0.07 0.09 0.00 0.00 178.44 179.20 3d29 h LEU 195 N 1.07 0.14 -1.26 1.67 3.38 -0.98 -2.15 115.31 117.18 3d29 h LEU 195 Ca 0.28 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3d29 h LEU 195 Cb -0.03 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3d29 h LEU 195 CO -0.05 0.35 0.52 0.74 0.09 0.00 0.00 178.44 180.09 3d29 h THR 196 N -0.09 1.11 -0.03 0.22 2.02 -0.61 -2.14 112.91 113.39 3d29 h THR 196 Ca 0.03 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.74 3d29 h THR 196 Cb 0.27 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3d29 h THR 196 CO 0.00 0.17 -0.63 0.25 0.37 0.00 0.00 175.52 175.69 3d29 h LEU 197 N 0.96 0.14 -0.96 2.58 5.85 -1.08 -3.22 115.31 119.58 3d29 h LEU 197 Ca 0.32 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 59.02 3d29 h LEU 197 Cb 0.07 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 3d29 h LEU 197 CO -0.10 0.73 0.61 0.50 -0.34 0.00 0.00 178.44 179.85 3d29 h LYS 198 N 0.09 1.05 -0.82 1.25 3.64 -0.70 -1.74 116.57 119.35 3d29 h LYS 198 Ca -0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 3d29 h LYS 198 Cb 1.13 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 3d29 h LYS 198 CO 0.09 0.70 0.44 0.93 -2.27 0.00 0.00 179.45 179.34 3d29 h GLU 199 N 1.09 1.14 -0.00 1.90 4.39 -1.60 -2.60 114.58 118.90 3d29 h GLU 199 Ca 0.42 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.99 3d29 h GLU 199 Cb 0.21 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 3d29 h GLU 199 CO -0.19 0.84 -0.00 0.43 -1.16 0.00 0.00 179.01 178.93 3d29 n SER 200 N -4.34 0.00 -4.66 1.42 7.64 -0.70 -4.80 113.62 108.18 3d29 n SER 200 Ca 0.08 0.07 -0.37 0.00 1.01 0.00 0.00 58.87 59.67 3d29 n SER 200 Cb 0.10 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 62.85 3d29 n SER 200 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3d29 s VAL 202 N -2.72 5.34 -0.02 0.44 1.01 -0.91 -4.96 120.40 118.58 3d29 s VAL 202 Ca 0.24 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.45 3d29 s VAL 202 Cb 0.20 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3d29 s VAL 202 CO 0.48 0.33 0.17 -0.33 0.00 0.00 0.00 175.10 175.76 3d29 h GLU 203 N 7.54 -0.05 0.00 2.72 3.07 -1.87 -3.48 114.58 122.51 3d29 h GLU 203 Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.49 3d29 h GLU 203 Cb 1.17 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.09 3d29 h GLU 203 CO 0.66 -0.03 0.00 0.41 -1.40 0.00 0.00 179.01 178.65 3d29 n GLY 204 N 1.47 0.83 3.74 -3.84 0.00 -1.26 -5.00 105.19 101.13 3d29 n GLY 204 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3d29 n GLY 204 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d29 s GLU 205 N 0.43 2.79 -0.34 1.61 0.41 -1.26 -5.01 118.70 117.32 3d29 s GLU 205 Ca 0.00 1.95 -0.00 0.00 -0.41 0.00 0.00 54.97 56.51 3d29 s GLU 205 Cb 0.00 -1.90 0.14 0.00 -1.78 0.00 0.00 34.13 30.58 3d29 s GLU 205 CO 0.00 -1.39 0.24 0.12 -0.49 0.00 0.00 175.26 173.74 3d29 s PHE 206 N -1.49 0.31 0.35 1.61 5.36 -1.26 -4.93 117.98 117.94 3d29 s PHE 206 Ca 0.80 -1.18 -0.05 0.00 -0.96 0.00 0.00 56.93 55.53 3d29 s PHE 206 Cb -0.34 -0.76 0.01 0.00 -0.34 0.00 0.00 43.02 41.60 3d29 s PHE 206 CO 0.37 -0.87 0.54 0.54 -1.46 0.00 0.00 175.22 174.34 3d29 s ASN 207 N 1.46 0.71 0.00 6.13 2.20 -1.26 -5.02 114.94 119.16 3d29 s ASN 207 Ca 0.15 -1.40 0.00 0.00 -0.94 0.00 0.00 52.86 50.67 3d29 s ASN 207 Cb -0.19 0.70 0.00 0.00 -2.00 0.00 0.00 41.25 39.76 3d29 s ASN 207 CO -0.10 -1.38 0.74 0.61 -2.94 0.00 0.00 177.10 174.03 3d29 n GLY 208 N -0.56 -0.24 0.00 0.45 0.00 -1.26 -1.52 105.19 102.07 3d29 n GLY 208 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3d29 n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d29 n ASP 209 N -1.24 0.88 -0.24 1.61 8.00 -1.26 -4.30 116.55 120.00 3d29 n ASP 209 Ca 0.00 -0.48 0.05 0.00 0.71 0.00 0.00 54.79 55.07 3d29 n ASP 209 Cb 0.00 1.38 0.01 0.00 -0.02 0.00 0.00 41.12 42.49 3d29 n ASP 209 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3d29 n THR 20 N -1.74 0.00 -4.57 -3.53 -2.24 -0.58 -4.89 114.28 96.74 3d29 n THR 20 Ca 0.00 -0.42 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 3d29 n THR 20 Cb 0.36 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 3d29 n THR 20 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3d29 s ILE 210 N -1.19 2.76 -0.09 2.28 1.01 -0.81 0.12 121.20 125.28 3d29 s ILE 210 Ca 0.08 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 3d29 s ILE 210 Cb 0.07 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.38 3d29 s ILE 210 CO 0.21 0.27 -0.05 -0.70 0.00 0.00 0.00 174.94 174.67 3d29 s GLU 211 N -1.64 1.15 -0.05 2.79 2.12 -0.20 -4.80 118.70 118.06 3d29 s GLU 211 Ca 0.15 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.33 3d29 s GLU 211 Cb -0.10 -1.31 0.02 0.00 0.26 0.00 0.00 34.13 33.00 3d29 s GLU 211 CO 0.06 -0.26 0.13 -1.17 -0.54 0.00 0.00 175.26 173.49 3d29 s LEU 212 N 1.71 1.22 0.17 2.70 0.20 -1.26 -1.16 118.68 122.26 3d29 s LEU 212 Ca 0.03 0.27 0.03 0.00 0.69 0.00 0.00 54.13 55.16 3d29 s LEU 212 Cb -0.13 0.41 -0.05 0.00 -0.43 0.00 0.00 46.19 46.00 3d29 s LEU 212 CO -0.06 -0.08 -0.05 0.00 -0.29 0.00 0.00 176.35 175.87 3d29 s ALA 213 N 0.47 1.50 0.11 5.97 0.00 -0.77 -0.92 121.76 128.12 3d29 s ALA 213 Ca -0.03 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.37 3d29 s ALA 213 Cb -0.05 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 3d29 s ALA 213 CO -0.02 -0.20 -0.07 0.96 0.00 0.00 0.00 175.76 176.43 3d29 s ILE 214 N -3.45 0.80 -0.33 0.00 -4.36 0.36 -2.10 121.20 112.12 3d29 s ILE 214 Ca 0.21 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.67 3d29 s ILE 214 Cb 0.04 -1.74 0.10 0.00 1.25 0.00 0.00 42.46 42.11 3d29 s ILE 214 CO 0.03 -0.82 0.05 -0.63 0.24 0.00 0.00 174.94 173.81 3d29 s ILE 215 N -3.56 2.08 0.00 8.37 -1.09 -0.52 -0.99 121.20 125.49 3d29 s ILE 215 Ca 0.14 -2.20 0.00 0.00 -2.23 0.00 0.00 60.65 56.35 3d29 s ILE 215 Cb 0.05 -2.54 0.00 0.00 -1.58 0.00 0.00 42.46 38.39 3d29 s ILE 215 CO -0.03 -0.60 0.00 0.61 -1.23 0.00 0.00 174.94 173.69 3d29 n GLY 216 N 4.34 3.77 3.67 6.18 0.00 -0.44 -1.39 105.19 121.33 3d29 n GLY 216 Ca 0.03 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 3d29 n GLY 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d29 s ASP 217 N 1.00 2.60 0.21 1.61 1.01 -1.26 -4.73 116.67 117.11 3d29 s ASP 217 Ca 0.00 1.23 -0.30 0.00 0.71 0.00 0.00 52.55 54.19 3d29 s ASP 217 Cb 0.00 -1.90 -0.08 0.00 1.01 0.00 0.00 42.92 41.95 3d29 s ASP 217 CO 0.00 -3.15 1.10 -1.61 0.21 0.00 0.00 175.17 171.72 3d29 s GLU 21 N -4.94 4.61 -0.96 8.23 2.02 -1.26 -4.29 118.70 122.12 3d29 s GLU 21 Ca 0.65 1.75 -0.04 0.00 0.02 0.00 0.00 54.97 57.35 3d29 s GLU 21 Cb -0.19 -3.25 0.24 0.00 0.10 0.00 0.00 34.13 31.03 3d29 s GLU 21 CO 0.58 0.13 0.88 -0.80 0.02 0.00 0.00 175.26 176.07 3d29 s ASN 21 N -0.40 6.40 0.57 -0.19 0.01 -0.21 -4.89 114.94 116.23 3d29 s ASN 21 Ca 0.48 -3.67 0.26 0.00 -0.71 0.00 0.00 52.86 49.22 3d29 s ASN 21 Cb -0.30 -2.00 1.54 0.00 0.41 0.00 0.00 41.25 40.89 3d29 s ASN 21 CO 0.37 -0.22 2.08 1.55 -1.51 0.00 0.00 177.10 179.37 3d29 h PRO 21 N 6.24 0.00 -1.92 -0.60 0.13 -1.46 -3.24 132.00 131.15 3d29 h PRO 21 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3d29 h PRO 21 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 3d29 h PRO 21 CO 0.90 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.27 3d29 n ASP 21 N -4.04 2.49 0.00 1.44 5.75 -1.26 -4.48 116.55 116.44 3d29 n ASP 21 Ca 0.03 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.22 3d29 n ASP 21 Cb 0.36 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 3d29 n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3d29 n LEU 21 N 1.59 0.00 0.00 -2.12 7.94 -1.22 -5.02 117.00 118.17 3d29 n LEU 21 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3d29 n LEU 21 Cb 0.25 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.20 3d29 n LEU 21 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 3d29 n GLY 21 N 0.00 0.44 3.59 -3.96 0.00 -1.26 -5.05 105.19 98.96 3d29 n GLY 21 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3d29 n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d29 s TYR 21 N -2.06 -0.35 0.23 1.61 1.13 -1.26 -5.19 117.35 111.47 3d29 s TYR 21 Ca 0.00 0.09 0.03 0.00 -1.41 0.00 0.00 57.07 55.78 3d29 s TYR 21 Cb 0.00 0.60 -0.05 0.00 -1.10 0.00 0.00 41.96 41.41 3d29 s TYR 21 CO 0.00 -0.85 0.01 0.95 -2.51 0.00 0.00 175.55 173.15 3d29 s THR 21 N -3.55 0.96 0.00 -3.49 -4.23 -1.26 -4.93 115.64 99.14 3d29 s THR 21 Ca 0.06 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3d29 s THR 21 Cb -0.02 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3d29 s THR 21 CO -0.05 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3d29 n GLY 21 N -0.42 1.83 3.13 3.99 0.00 -1.26 -5.08 105.19 107.39 3d29 n GLY 21 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 3d29 n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d29 s ILE 21 N -1.63 3.34 0.27 -0.61 1.09 -1.26 -4.99 121.20 117.39 3d29 s ILE 21 Ca 0.00 -1.98 -0.07 0.00 -1.10 0.00 0.00 60.65 57.51 3d29 s ILE 21 Cb 0.00 -3.25 0.36 0.00 -1.06 0.00 0.00 42.46 38.51 3d29 s ILE 21 CO 0.00 -0.65 1.59 -0.65 -0.10 0.00 0.00 174.94 175.14 3d29 h PRO 21 N 8.07 0.03 0.00 2.79 0.11 -2.02 -0.14 132.00 140.84 3d29 h PRO 21 Ca -0.14 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.95 3d29 h PRO 21 Cb 1.05 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3d29 h PRO 21 CO 0.69 0.02 -0.09 1.79 -0.21 0.00 0.00 178.00 180.20 3d29 h THR 21 N 0.03 0.46 -2.88 -1.15 1.35 -2.06 -3.38 112.91 105.27 3d29 h THR 21 Ca 0.46 -0.47 -0.63 0.00 -0.55 0.00 0.00 66.41 65.21 3d29 h THR 21 Cb 0.79 1.32 -0.15 0.00 -1.73 0.00 0.00 68.15 68.39 3d29 h THR 21 CO -0.85 0.09 0.47 -1.81 -0.25 0.00 0.00 175.52 173.17 3d29 s ASP 21 N -6.02 6.22 0.00 5.36 -0.00 -0.06 -4.89 116.67 117.28 3d29 s ASP 21 Ca -0.03 -0.84 0.21 0.00 -0.00 0.00 0.00 52.55 51.89 3d29 s ASP 21 Cb 0.13 -2.40 -0.06 0.00 -0.00 0.00 0.00 42.92 40.58 3d29 s ASP 21 CO 0.56 -1.31 0.99 0.29 -0.00 0.00 0.00 175.17 175.71 3d29 n LYS 21 N 7.39 1.08 0.00 8.23 5.02 -1.26 -4.81 118.16 133.81 3d29 n LYS 21 Ca -0.03 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.53 3d29 n LYS 21 Cb 0.46 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3d29 n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d29 n GLY 218 N 1.39 2.91 3.77 0.72 0.00 -1.26 -1.22 105.19 111.50 3d29 n GLY 218 Ca 0.07 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 3d29 n GLY 218 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d29 s PRO 219 N -3.36 3.72 0.19 1.61 0.04 -1.26 -3.90 135.00 132.05 3d29 s PRO 219 Ca 0.00 1.84 0.23 0.00 0.04 0.00 0.00 61.00 63.11 3d29 s PRO 219 Cb 0.00 -2.42 0.05 0.00 0.04 0.00 0.00 34.50 32.18 3d29 s PRO 219 CO 0.00 -0.60 1.09 0.00 0.04 0.00 0.00 177.00 177.53 3d29 h ARG 220 N 2.04 0.00 -6.59 4.56 3.08 -1.19 -0.53 114.38 115.74 3d29 h ARG 220 Ca -0.49 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.04 3d29 h ARG 220 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3d29 h ARG 220 CO 0.60 0.00 0.36 0.12 -1.07 0.00 0.00 179.97 179.98 3d29 s PHE 221 N -3.33 3.83 -0.20 3.04 5.36 -0.32 -1.33 117.98 125.02 3d29 s PHE 221 Ca 0.01 1.81 -0.10 0.00 -0.96 0.00 0.00 56.93 57.68 3d29 s PHE 221 Cb 0.10 -3.05 0.07 0.00 -0.34 0.00 0.00 43.02 39.80 3d29 s PHE 221 CO 0.78 0.21 0.48 0.50 -1.46 0.00 0.00 175.22 175.73 3d29 s ARG 222 N -0.13 0.45 -0.03 10.12 3.52 -0.16 -4.99 118.95 127.72 3d29 s ARG 222 Ca 0.46 0.96 -0.21 0.00 -0.13 0.00 0.00 55.73 56.81 3d29 s ARG 222 Cb -0.24 0.13 -0.05 0.00 -1.56 0.00 0.00 34.95 33.23 3d29 s ARG 222 CO 0.30 -0.18 0.61 0.21 -0.81 0.00 0.00 175.30 175.44 3d29 s LYS 223 N 1.78 4.36 0.45 5.12 2.20 -1.26 -0.48 119.74 131.90 3d29 s LYS 223 Ca -0.08 0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 56.07 3d29 s LYS 223 Cb -0.09 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.75 3d29 s LYS 223 CO -0.14 0.26 0.99 -0.51 -0.36 0.00 0.00 175.35 175.58 3d29 s LEU 224 N 0.18 3.91 0.46 5.43 1.43 -0.09 -4.98 118.68 125.01 3d29 s LEU 224 Ca 0.32 1.80 -0.08 0.00 -1.03 0.00 0.00 54.13 55.15 3d29 s LEU 224 Cb -0.18 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 3d29 s LEU 224 CO 0.17 -0.53 0.79 0.42 0.23 0.00 0.00 176.35 177.43 3d29 s THR 225 N -2.07 4.85 0.19 5.49 -4.23 -1.26 -4.75 115.64 113.86 3d29 s THR 225 Ca 0.64 0.42 -0.14 0.00 -1.18 0.00 0.00 61.69 61.42 3d29 s THR 225 Cb -0.13 -3.81 0.17 0.00 1.34 0.00 0.00 72.50 70.07 3d29 s THR 225 CO 0.16 -0.72 1.65 -1.28 -0.54 0.00 0.00 174.62 173.89 3d29 h SER 226 N 0.64 -0.41 -0.27 3.99 0.87 -1.95 -0.39 113.55 116.03 3d29 h SER 226 Ca -0.47 0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.28 3d29 h SER 226 Cb 1.20 0.30 -0.03 0.00 -0.44 0.00 0.00 62.40 63.42 3d29 h SER 226 CO 0.63 -0.15 0.06 -0.61 -0.53 0.00 0.00 176.83 176.23 3d29 h GLN 227 N 0.04 0.16 -0.49 2.24 5.75 -1.93 -1.64 115.11 119.24 3d29 h GLN 227 Ca 0.26 -0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.86 3d29 h GLN 227 Cb 0.41 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 3d29 h GLN 227 CO -0.52 0.11 0.34 0.93 -2.65 0.00 0.00 178.83 177.04 3d29 h GLU 228 N 0.17 0.16 -0.02 1.69 5.08 -1.50 -2.10 114.58 118.07 3d29 h GLU 228 Ca 0.12 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3d29 h GLU 228 Cb 0.12 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.34 3d29 h GLU 228 CO -0.15 0.11 -0.38 0.82 -1.00 0.00 0.00 179.01 178.40 3d29 h ILE 229 N 0.17 1.48 -0.85 3.13 2.04 -0.32 -3.19 117.51 119.97 3d29 h ILE 229 Ca 0.23 -1.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.14 3d29 h ILE 229 Cb 0.69 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 39.32 3d29 h ILE 229 CO -0.03 0.55 0.48 0.78 0.00 0.00 0.00 178.15 179.92 3d29 h ASN 230 N -0.28 1.04 -0.68 1.72 2.35 -0.84 -1.07 115.58 117.82 3d29 h ASN 230 Ca -0.04 -0.08 0.07 0.00 -0.55 0.00 0.00 56.30 55.69 3d29 h ASN 230 Cb 1.10 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 39.15 3d29 h ASN 230 CO 0.08 0.83 0.37 0.44 -1.65 0.00 0.00 177.43 177.49 3d29 h ASP 231 N 1.18 0.54 0.94 5.81 3.32 -1.48 -0.78 116.42 125.95 3d29 h ASP 231 Ca 0.30 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.31 3d29 h ASP 231 Cb 0.01 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3d29 h ASP 231 CO -0.05 0.34 -0.34 0.03 -1.72 0.00 0.00 179.24 177.50 3d29 h ARG 232 N 0.67 0.00 0.00 3.56 3.08 -1.40 -2.92 114.38 117.36 3d29 h ARG 232 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3d29 h ARG 232 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3d29 h ARG 232 CO -0.20 0.34 0.00 -0.07 -1.07 0.00 0.00 179.97 178.97 3d29 h LEU 233 N 0.00 0.00 0.00 3.04 3.38 0.14 -2.53 115.31 119.34 3d29 h LEU 233 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d29 h LEU 233 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3d29 h LEU 233 CO 0.04 0.00 -0.00 -0.33 0.09 0.00 0.00 178.44 178.24 3d29 h GLU 234 N 0.00 0.00 -0.57 1.13 5.08 -1.27 -2.93 114.58 116.02 3d29 h GLU 234 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 3d29 h GLU 234 Cb 0.50 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 3d29 h GLU 234 CO 0.00 0.00 0.17 0.00 -1.00 0.00 0.00 179.01 178.18 3d29 n ALA 235 N -2.01 4.24 1.79 3.43 0.00 -0.95 -5.15 120.51 121.85 3d29 n ALA 235 Ca 0.04 -2.55 0.14 0.00 0.00 0.00 0.00 53.44 51.08 3d29 n ALA 235 Cb 0.50 -1.04 0.85 0.00 0.00 0.00 0.00 19.45 19.77 3d29 n ALA 235 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39