#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 -9.40 -1.45 1.12 -1.04 -1.26 -4.65 114.28 97.60 3d29 n THR 5 Ca 0.00 2.29 -0.54 0.00 -2.04 0.00 0.00 64.05 63.76 3d29 n THR 5 Cb 0.00 -4.42 -0.08 0.00 -1.82 0.00 0.00 70.33 64.01 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 1.91 -1.42 8.00 4.64 -1.26 -4.77 116.55 125.53 3d29 n ASP 6 Ca 0.00 0.58 0.08 0.00 -1.38 0.00 0.00 54.79 54.07 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 7.59 3.70 -2.87 -0.67 1.74 -1.26 -4.60 116.66 120.30 3d29 n ARG 7 Ca 0.41 -2.84 -0.42 0.00 -0.77 0.00 0.00 57.85 54.23 3d29 n ARG 7 Cb 0.16 -1.88 0.01 0.00 -1.02 0.00 0.00 32.46 29.73 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 0.69 2.43 1.15 -1.55 4.01 -1.26 -4.71 117.16 117.92 3d29 n TYR 8 Ca 0.24 -2.57 0.10 0.00 -0.16 0.00 0.00 57.90 55.51 3d29 n TYR 8 Cb 0.89 -1.23 0.34 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.79 1.72 -4.79 7.72 3.41 -1.26 -0.13 113.62 121.08 3d29 n SER 9 Ca 0.34 -1.76 -0.22 0.00 -0.26 0.00 0.00 58.87 56.96 3d29 n SER 9 Cb 0.30 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.74 3.03 0.31 7.33 -0.12 -1.26 -4.43 117.98 121.11 3d29 s PHE 10 Ca 0.31 -0.13 -0.29 0.00 -0.05 0.00 0.00 56.93 56.77 3d29 s PHE 10 Cb 0.17 -1.36 -0.10 0.00 -0.63 0.00 0.00 43.02 41.09 3d29 s PHE 10 CO 0.25 0.54 1.34 -1.12 -0.05 0.00 0.00 175.22 176.18 3d29 s SER 11 N -3.77 6.72 0.00 1.98 0.01 -1.26 -1.34 113.70 116.04 3d29 s SER 11 Ca 0.32 2.70 0.23 0.00 1.31 0.00 0.00 55.95 60.51 3d29 s SER 11 Cb -0.08 -2.64 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 3d29 s SER 11 CO 0.24 -0.59 1.09 0.18 0.41 0.00 0.00 173.24 174.57 3d29 n LEU 12 N 1.12 1.86 -4.12 2.44 4.77 -1.26 -4.77 117.00 117.04 3d29 n LEU 12 Ca 0.01 -0.70 -0.33 0.00 -0.03 0.00 0.00 56.01 54.96 3d29 n LEU 12 Cb 0.41 -0.01 -0.16 0.00 -2.33 0.00 0.00 43.42 41.34 3d29 n LEU 12 CO 0.60 0.35 -0.51 -0.89 -1.33 0.00 0.00 177.39 175.61 3d29 s THR 13 N -2.55 2.12 0.30 -5.08 2.01 -1.26 -4.86 115.64 106.33 3d29 s THR 13 Ca 0.17 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.13 3d29 s THR 13 Cb 0.18 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3d29 s THR 13 CO 0.61 0.42 0.12 0.42 -0.69 0.00 0.00 174.62 175.50 3d29 s THR 14 N 1.26 0.52 0.13 -0.82 -4.23 -1.26 -4.87 115.64 106.36 3d29 s THR 14 Ca 0.02 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.27 3d29 s THR 14 Cb -0.14 -2.56 -0.07 0.00 1.34 0.00 0.00 72.50 71.06 3d29 s THR 14 CO -0.11 0.00 0.80 -0.36 -0.54 0.00 0.00 174.62 174.41 3d29 s PHE 15 N -3.58 3.85 0.47 3.99 0.08 -1.26 -4.23 117.98 117.29 3d29 s PHE 15 Ca 0.35 1.62 0.01 0.00 0.12 0.00 0.00 56.93 59.02 3d29 s PHE 15 Cb 0.06 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 3d29 s PHE 15 CO 0.16 0.40 0.69 -1.54 -0.10 0.00 0.00 175.22 174.83 3d29 s SER 16 N -0.68 5.73 0.47 1.36 1.04 0.03 -4.93 113.70 116.73 3d29 s SER 16 Ca 0.38 0.22 0.21 0.00 0.48 0.00 0.00 55.95 57.24 3d29 s SER 16 Cb -0.22 -1.40 1.21 0.00 0.10 0.00 0.00 66.02 65.71 3d29 s SER 16 CO 0.26 -0.78 1.94 -0.65 0.98 0.00 0.00 173.24 174.99 3d29 h PRO 17 N 0.35 0.23 0.00 4.02 0.11 -1.97 0.30 132.00 135.03 3d29 h PRO 17 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d29 h PRO 17 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d29 h PRO 17 CO 0.56 0.15 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 3d29 n SER 18 N -4.43 0.18 0.00 -2.05 3.41 -1.26 -4.86 113.62 104.62 3d29 n SER 18 Ca 0.14 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3d29 n SER 18 Cb 0.62 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 0.44 0.82 3.90 5.00 0.00 0.11 -5.08 105.19 110.38 3d29 n GLY 19 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.83 3.65 -0.61 1.61 -0.14 -1.26 -4.76 119.74 117.41 3d29 s LYS 20 Ca 0.00 0.16 -0.02 0.00 -1.36 0.00 0.00 55.97 54.75 3d29 s LYS 20 Cb 0.00 -2.52 0.16 0.00 -1.68 0.00 0.00 37.83 33.78 3d29 s LYS 20 CO 0.00 0.06 0.42 -0.51 -0.76 0.00 0.00 175.35 174.56 3d29 s LEU 21 N -3.90 5.15 0.16 3.17 1.43 -1.26 -0.79 118.68 122.64 3d29 s LEU 21 Ca 0.46 -2.85 -0.28 0.00 -1.03 0.00 0.00 54.13 50.43 3d29 s LEU 21 Cb -0.10 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3d29 s LEU 21 CO 0.33 -0.36 1.55 1.23 0.23 0.00 0.00 176.35 179.34 3d29 h GLY 22 N 7.00 -0.65 0.01 -3.19 0.00 -1.97 -1.76 103.07 102.52 3d29 h GLY 22 Ca -0.02 0.66 0.23 0.00 0.00 0.00 0.00 47.33 48.19 3d29 h GLY 22 CO 0.71 -0.10 0.62 1.46 0.00 0.00 0.00 176.54 179.23 3d29 h GLN 23 N -0.20 0.55 -0.15 4.80 1.08 -1.89 0.23 115.11 119.53 3d29 h GLN 23 Ca 0.16 -0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 57.11 3d29 h GLN 23 Cb 0.54 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3d29 h GLN 23 CO -0.75 0.36 -0.78 0.82 -0.95 0.00 0.00 178.83 177.54 3d29 h ILE 24 N 0.57 1.29 -0.30 2.54 2.04 -1.74 -1.05 117.51 120.86 3d29 h ILE 24 Ca 0.59 -1.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.45 3d29 h ILE 24 Cb 1.19 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 3d29 h ILE 24 CO -0.35 0.63 0.17 0.44 0.00 0.00 0.00 178.15 179.04 3d29 h ASP 25 N 0.52 0.37 -0.88 1.72 3.45 -0.39 -0.05 116.42 121.16 3d29 h ASP 25 Ca -0.05 -0.08 -0.00 0.00 0.43 0.00 0.00 57.03 57.33 3d29 h ASP 25 Cb 1.40 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 40.03 3d29 h ASP 25 CO 0.16 0.34 0.53 1.88 -1.57 0.00 0.00 179.24 180.58 3d29 h TYR 26 N 0.37 1.15 -0.46 4.55 0.05 -0.61 0.15 116.97 122.17 3d29 h TYR 26 Ca 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 3d29 h TYR 26 Cb 0.05 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.38 3d29 h TYR 26 CO -0.03 0.76 0.27 0.00 -1.05 0.00 0.00 178.16 178.11 3d29 h ALA 27 N 1.38 0.59 -0.96 3.88 0.00 -0.70 -0.91 119.26 122.53 3d29 h ALA 27 Ca 0.32 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.22 3d29 h ALA 27 Cb -0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 3d29 h ALA 27 CO -0.06 0.08 0.62 -0.07 0.00 0.00 0.00 179.25 179.83 3d29 h LEU 28 N 0.61 0.99 -0.52 0.00 3.38 0.29 -1.25 115.31 118.81 3d29 h LEU 28 Ca 0.16 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3d29 h LEU 28 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3d29 h LEU 28 CO -0.03 0.64 0.32 0.74 0.09 0.00 0.00 178.44 180.20 3d29 h THR 29 N 1.12 1.15 -0.57 0.22 2.02 -0.01 -1.34 112.91 115.50 3d29 h THR 29 Ca 0.41 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 3d29 h THR 29 Cb 0.16 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3d29 h THR 29 CO -0.16 0.16 0.32 0.00 0.37 0.00 0.00 175.52 176.21 3d29 h ALA 30 N 1.16 1.50 -0.52 6.16 0.00 -0.10 -1.83 119.26 125.62 3d29 h ALA 30 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3d29 h ALA 30 Cb -0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3d29 h ALA 30 CO -0.04 0.42 0.15 0.28 0.00 0.00 0.00 179.25 180.07 3d29 h VAL 31 N 0.79 1.24 -0.81 0.00 2.07 -0.42 -2.71 116.25 116.39 3d29 h VAL 31 Ca 0.20 -0.80 0.09 0.00 0.82 0.00 0.00 66.70 67.01 3d29 h VAL 31 Cb 0.00 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 3d29 h VAL 31 CO -0.04 0.30 0.53 0.11 0.02 0.00 0.00 177.57 178.49 3d29 h LYS 32 N 0.72 0.78 0.00 1.57 1.79 -0.44 -1.07 116.57 119.93 3d29 h LYS 32 Ca 0.17 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3d29 h LYS 32 Cb 0.29 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3d29 h LYS 32 CO -0.00 0.52 0.00 1.96 -1.08 0.00 0.00 179.45 180.85 3d29 h GLN 33 N 0.81 0.00 -7.36 3.15 1.08 -1.15 -1.65 115.11 109.99 3d29 h GLN 33 Ca 0.37 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 57.07 3d29 h GLN 33 Cb 0.36 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 27.91 3d29 h GLN 33 CO -0.14 0.00 0.32 0.20 -0.95 0.00 0.00 178.83 178.26 3d29 s GLY 34 N -3.74 1.64 0.37 3.46 0.00 -0.40 -4.67 107.32 103.98 3d29 s GLY 34 Ca 0.06 -0.01 -0.28 0.00 0.00 0.00 0.00 44.72 44.50 3d29 s GLY 34 CO 0.52 0.39 1.42 0.14 0.00 0.00 0.00 173.10 175.57 3d29 s VAL 35 N -3.03 2.29 0.44 1.40 1.01 -1.26 0.35 120.40 121.59 3d29 s VAL 35 Ca 0.61 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.62 3d29 s VAL 35 Cb -0.16 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 3d29 s VAL 35 CO 0.55 0.06 1.29 0.41 0.00 0.00 0.00 175.10 177.42 3d29 n THR 36 N 0.48 2.68 -3.84 3.92 -1.04 -1.26 -4.54 114.28 110.69 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 -1.60 -0.10 0.00 -1.82 0.00 0.00 70.33 67.22 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 -0.56 -0.04 0.16 8.00 1.04 -0.88 -3.61 113.70 117.81 3d29 s SER 37 Ca 0.62 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.87 3d29 s SER 37 Cb -0.49 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 3d29 s SER 37 CO 0.57 -0.37 0.26 -1.48 0.98 0.00 0.00 173.24 173.21 3d29 s LEU 38 N -1.28 1.03 -0.02 2.42 0.05 -0.06 -1.31 118.68 119.52 3d29 s LEU 38 Ca -0.13 -0.89 -0.01 0.00 0.05 0.00 0.00 54.13 53.14 3d29 s LEU 38 Cb -0.07 1.12 0.01 0.00 -2.05 0.00 0.00 46.19 45.20 3d29 s LEU 38 CO 0.02 -0.88 0.04 -0.83 -0.55 0.00 0.00 176.35 174.15 3d29 s GLY 39 N -2.97 -0.01 -0.06 -3.48 0.00 0.23 -1.48 107.32 99.56 3d29 s GLY 39 Ca 0.17 0.15 -0.00 0.00 0.00 0.00 0.00 44.72 45.04 3d29 s GLY 39 CO -0.00 0.20 -0.02 -0.42 0.00 0.00 0.00 173.10 172.86 3d29 s ILE 40 N 0.20 0.42 -0.20 0.90 1.01 0.59 -0.94 121.20 123.19 3d29 s ILE 40 Ca -0.02 0.01 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 3d29 s ILE 40 Cb -0.02 -0.51 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 3d29 s ILE 40 CO -0.01 0.23 0.22 -0.75 0.00 0.00 0.00 174.94 174.64 3d29 s LYS 41 N 1.42 4.18 0.48 2.79 2.20 0.47 -0.42 119.74 130.85 3d29 s LYS 41 Ca -0.03 -0.08 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 3d29 s LYS 41 Cb -0.13 -3.47 0.06 0.00 -1.51 0.00 0.00 37.83 32.77 3d29 s LYS 41 CO -0.03 0.17 0.47 0.00 -0.36 0.00 0.00 175.35 175.60 3d29 n ALA 42 N 3.88 0.85 0.19 3.13 0.00 0.14 -4.89 120.51 123.80 3d29 n ALA 42 Ca -0.13 -1.86 0.07 0.00 0.00 0.00 0.00 53.44 51.52 3d29 n ALA 42 Cb 0.52 0.68 0.26 0.00 0.00 0.00 0.00 19.45 20.91 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 0.45 0.61 -0.54 0.00 1.35 -1.16 -3.30 112.91 110.32 3d29 h THR 43 Ca -0.28 -1.52 -0.37 0.00 -0.55 0.00 0.00 66.41 63.70 3d29 h THR 43 Cb 1.09 2.04 -0.40 0.00 -1.73 0.00 0.00 68.15 69.15 3d29 h THR 43 CO 0.42 0.30 -0.95 -0.46 -0.25 0.00 0.00 175.52 174.58 3d29 n ASN 44 N -3.30 3.09 0.00 5.36 6.94 -1.26 -4.98 115.26 121.11 3d29 n ASN 44 Ca 0.01 -2.90 0.00 0.00 -0.02 0.00 0.00 54.58 51.68 3d29 n ASN 44 Cb 0.56 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 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 -0.62 0.19 3.00 4.83 0.00 -1.24 -4.62 105.19 106.72 3d29 n GLY 45 Ca 0.24 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.97 0.19 -0.02 1.61 1.01 -0.48 0.23 120.40 120.97 3d29 s VAL 46 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.98 3d29 s VAL 46 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.95 3d29 s VAL 46 CO 0.00 -0.53 -0.07 0.54 0.00 0.00 0.00 175.10 175.04 3d29 s VAL 47 N -1.68 0.63 -0.03 2.92 0.11 0.44 -1.41 120.40 121.38 3d29 s VAL 47 Ca -0.13 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.66 3d29 s VAL 47 Cb -0.08 -0.56 -0.00 0.00 -1.53 0.00 0.00 36.38 34.21 3d29 s VAL 47 CO -0.02 0.20 -0.12 0.27 -3.33 0.00 0.00 175.10 172.10 3d29 s ILE 48 N 0.14 1.01 0.17 7.04 -4.36 -0.87 -0.30 121.20 124.03 3d29 s ILE 48 Ca -0.02 -0.49 -0.10 0.00 -0.26 0.00 0.00 60.65 59.78 3d29 s ILE 48 Cb -0.07 -0.88 -0.00 0.00 1.25 0.00 0.00 42.46 42.76 3d29 s ILE 48 CO 0.00 0.30 0.31 0.00 0.24 0.00 0.00 174.94 175.79 3d29 s ALA 49 N 0.09 -0.13 0.24 2.27 0.00 -0.55 -1.87 121.76 121.81 3d29 s ALA 49 Ca -0.02 -0.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 3d29 s ALA 49 Cb -0.09 0.85 0.03 0.00 0.00 0.00 0.00 23.12 23.91 3d29 s ALA 49 CO 0.01 -0.66 0.79 -0.08 0.00 0.00 0.00 175.76 175.82 3d29 s THR 50 N -3.95 0.00 -0.08 0.00 -1.32 -0.41 -0.89 115.64 109.00 3d29 s THR 50 Ca 0.16 -0.89 -0.12 0.00 -1.21 0.00 0.00 61.69 59.63 3d29 s THR 50 Cb 0.03 -1.99 -0.05 0.00 -1.51 0.00 0.00 72.50 68.98 3d29 s THR 50 CO -0.01 0.00 0.30 -0.70 -2.21 0.00 0.00 174.62 172.00 3d29 s GLU 51 N -3.72 3.87 -0.99 7.08 2.12 -1.24 -1.12 118.70 124.69 3d29 s GLU 51 Ca 0.11 0.16 -0.16 0.00 0.36 0.00 0.00 54.97 55.44 3d29 s GLU 51 Cb -0.05 -3.27 0.16 0.00 0.26 0.00 0.00 34.13 31.24 3d29 s GLU 51 CO 0.05 0.59 1.15 0.15 -0.54 0.00 0.00 175.26 176.67 3d29 s LYS 52 N -0.64 3.75 -1.11 4.30 1.02 0.29 -4.89 119.74 122.46 3d29 s LYS 52 Ca 0.19 -2.13 -0.22 0.00 0.02 0.00 0.00 55.97 53.84 3d29 s LYS 52 Cb -0.14 -4.87 -0.08 0.00 -0.52 0.00 0.00 37.83 32.21 3d29 s LYS 52 CO 0.08 -1.68 1.92 1.17 -0.92 0.00 0.00 175.35 175.91 3d29 n LYS 53 N 5.80 1.79 -1.66 1.68 3.00 -1.26 -4.79 118.16 122.73 3d29 n LYS 53 Ca 0.26 -2.43 -0.48 0.00 -0.00 0.00 0.00 58.31 55.66 3d29 n LYS 53 Cb 0.47 -3.51 -0.05 0.00 0.00 0.00 0.00 35.03 31.94 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 11.98 2.88 -2.14 3.14 2.88 -1.26 -4.88 113.62 126.22 3d29 n SER 54 Ca 0.47 1.07 -0.25 0.00 -1.33 0.00 0.00 58.87 58.82 3d29 n SER 54 Cb 0.45 -1.36 0.12 0.00 -0.75 0.00 0.00 64.21 62.67 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 3.94 5.14 0.00 -3.46 7.64 -1.26 -4.84 113.62 120.78 3d29 n SER 55 Ca 0.19 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.56 3d29 n SER 55 Cb 0.27 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 -0.83 0.00 0.10 6.43 2.88 -1.26 -4.96 113.62 115.98 3d29 n SER 56 Ca 0.54 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 58.18 3d29 n SER 56 Cb 1.19 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 65.10 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 -0.22 0.14 0.09 -1.46 -0.04 -1.26 -1.42 135.00 130.82 3d29 n PRO 57 Ca 0.00 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 3d29 n PRO 57 Cb 0.00 -1.80 0.25 0.00 -0.04 0.00 0.00 33.50 31.91 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 -9.78 1.53 3.38 -2.00 -3.45 115.31 104.99 3d29 h LEU 58 Ca 0.00 -0.11 -0.50 0.00 0.09 0.00 0.00 57.88 57.36 3d29 h LEU 58 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3d29 h LEU 58 CO 0.00 0.06 0.28 0.00 0.09 0.00 0.00 178.44 178.86 3d29 s ALA 59 N -3.16 3.35 -0.58 1.53 0.00 -0.51 -5.01 121.76 117.39 3d29 s ALA 59 Ca 0.08 0.49 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 3d29 s ALA 59 Cb 0.12 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.27 3d29 s ALA 59 CO 0.68 0.24 0.61 -1.64 0.00 0.00 0.00 175.76 175.64 3d29 s MET 60 N -1.41 3.05 0.56 0.00 -1.94 -1.26 -4.92 119.30 113.38 3d29 s MET 60 Ca 0.41 -1.58 0.27 0.00 -1.71 0.00 0.00 55.69 53.09 3d29 s MET 60 Cb -0.23 -4.30 1.47 0.00 2.01 0.00 0.00 34.83 33.78 3d29 s MET 60 CO 0.28 -1.43 1.80 0.66 -0.01 0.00 0.00 175.02 176.32 3d29 h SER 61 N 8.97 0.00 0.75 3.03 4.64 -1.93 -0.85 113.55 128.16 3d29 h SER 61 Ca -0.27 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 -0.59 -0.33 -0.87 0.00 0.00 176.83 176.10 3d29 h GLU 62 N 0.00 0.00 0.00 4.77 3.07 -1.92 -2.82 114.58 117.68 3d29 h GLU 62 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3d29 h GLU 62 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 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 -3.67 1.16 -4.78 1.13 -2.24 -0.32 -4.56 114.28 101.00 3d29 n THR 63 Ca -0.01 0.29 -0.26 0.00 -2.27 0.00 0.00 64.05 61.81 3d29 n THR 63 Cb 0.63 -1.15 -0.16 0.00 -2.10 0.00 0.00 70.33 67.55 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 -2.81 1.88 -0.16 3.22 0.20 -1.06 -5.12 118.68 114.83 3d29 s LEU 64 Ca 0.06 -0.34 0.00 0.00 0.69 0.00 0.00 54.13 54.54 3d29 s LEU 64 Cb 0.06 -0.94 0.02 0.00 -0.43 0.00 0.00 46.19 44.90 3d29 s LEU 64 CO 0.14 0.13 -0.15 -0.44 -0.29 0.00 0.00 176.35 175.74 3d29 s SER 65 N 0.14 2.79 0.30 3.68 0.01 -1.26 -4.96 113.70 114.39 3d29 s SER 65 Ca -0.06 -0.52 0.23 0.00 1.31 0.00 0.00 55.95 56.91 3d29 s SER 65 Cb -0.12 -1.24 0.15 0.00 0.21 0.00 0.00 66.02 65.01 3d29 s SER 65 CO 0.02 -0.04 1.28 0.11 0.41 0.00 0.00 173.24 175.02 3d29 h LYS 66 N 8.03 0.00 -4.76 12.44 1.57 -1.95 -3.42 116.57 128.48 3d29 h LYS 66 Ca -0.40 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.70 3d29 h LYS 66 Cb 1.14 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.20 3d29 h LYS 66 CO 0.55 0.00 -0.57 0.08 -0.57 0.00 0.00 179.45 178.94 3d29 s VAL 67 N -3.30 4.36 0.04 0.50 1.01 -1.26 -4.08 120.40 117.68 3d29 s VAL 67 Ca 0.03 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3d29 s VAL 67 Cb 0.08 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3d29 s VAL 67 CO 0.74 0.02 -0.22 -0.44 0.00 0.00 0.00 175.10 175.20 3d29 s SER 68 N 1.56 3.52 -0.12 3.32 0.01 0.76 -4.93 113.70 117.82 3d29 s SER 68 Ca 0.03 -0.50 -0.24 0.00 1.31 0.00 0.00 55.95 56.55 3d29 s SER 68 Cb -0.17 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 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 -1.35 4.25 -0.25 2.44 0.20 -1.26 -0.19 118.68 122.51 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 -0.24 -0.17 0.18 -0.29 0.00 0.00 176.35 175.86 3d29 n LEU 70 N 4.47 2.11 -4.20 -0.68 4.77 0.78 -4.96 117.00 119.28 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 -0.88 -0.10 0.00 -2.33 0.00 0.00 43.42 40.61 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 0.33 -0.99 -5.08 -4.23 -1.05 -4.70 115.64 97.44 3d29 s THR 71 Ca -0.35 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.21 3d29 s THR 71 Cb 0.12 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.79 3d29 s THR 71 CO 0.54 -0.39 0.89 -0.81 -0.54 0.00 0.00 174.62 174.32 3d29 n PRO 72 N -0.19 0.00 -0.07 3.99 -0.04 -1.26 -1.45 135.00 135.98 3d29 n PRO 72 Ca -0.05 0.40 0.03 0.00 -0.04 0.00 0.00 63.50 63.84 3d29 n PRO 72 Cb 0.64 -1.55 0.04 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 -1.39 1.55 -3.80 3.54 8.00 -1.26 -0.94 116.55 122.25 3d29 n ASP 73 Ca 0.00 -2.14 -0.14 0.00 0.71 0.00 0.00 54.79 53.22 3d29 n ASP 73 Cb 0.05 -0.14 -0.16 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.25 -0.03 0.21 0.53 1.01 -0.53 -1.48 121.20 119.66 3d29 s ILE 74 Ca 0.09 0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.95 3d29 s ILE 74 Cb 0.08 -0.08 -0.05 0.00 0.01 0.00 0.00 42.46 42.42 3d29 s ILE 74 CO 0.01 0.07 -0.07 -0.83 0.00 0.00 0.00 174.94 174.12 3d29 s GLY 75 N 0.83 1.43 0.04 6.18 0.00 0.27 -0.16 107.32 115.91 3d29 s GLY 75 Ca -0.07 -1.69 0.00 0.00 0.00 0.00 0.00 44.72 42.97 3d29 s GLY 75 CO -0.02 -1.70 -0.04 0.00 0.00 0.00 0.00 173.10 171.34 3d29 s ALA 76 N -3.22 0.38 0.18 3.20 0.00 0.73 -1.51 121.76 121.52 3d29 s ALA 76 Ca 0.24 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 3d29 s ALA 76 Cb 0.03 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3d29 s ALA 76 CO 0.06 -0.19 0.23 0.54 0.00 0.00 0.00 175.76 176.41 3d29 s VAL 77 N -2.22 0.05 0.18 0.00 0.11 -0.59 -0.17 120.40 117.76 3d29 s VAL 77 Ca -0.07 -1.62 -0.03 0.00 -2.93 0.00 0.00 61.98 57.33 3d29 s VAL 77 Cb -0.04 -2.06 0.01 0.00 -1.53 0.00 0.00 36.38 32.75 3d29 s VAL 77 CO -0.03 -0.23 0.28 0.00 -3.33 0.00 0.00 175.10 171.79 3d29 n TYR 78 N -0.22 -1.13 -3.66 1.54 4.11 -1.26 -1.32 117.16 115.21 3d29 n TYR 78 Ca -0.04 -1.11 -0.07 0.00 -0.00 0.00 0.00 57.90 56.67 3d29 n TYR 78 Cb 0.64 0.32 -0.08 0.00 -0.00 0.00 0.00 39.34 40.22 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 -2.07 -0.68 0.00 9.48 0.01 -1.06 -4.57 113.70 114.80 3d29 s SER 79 Ca 0.13 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.60 3d29 s SER 79 Cb -0.01 1.37 0.00 0.00 0.21 0.00 0.00 66.02 67.59 3d29 s SER 79 CO 0.09 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.13 3d29 n GLY 80 N 4.79 0.37 3.55 3.44 0.00 -1.26 -2.41 105.19 113.67 3d29 n GLY 80 Ca -0.17 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 -1.02 3.37 0.25 1.61 -1.94 -0.18 -4.80 119.30 116.59 3d29 s MET 81 Ca 0.00 -0.07 -0.02 0.00 -1.71 0.00 0.00 55.69 53.89 3d29 s MET 81 Cb 0.00 -4.08 0.51 0.00 2.01 0.00 0.00 34.83 33.27 3d29 s MET 81 CO 0.00 -1.74 1.73 0.78 -0.01 0.00 0.00 175.02 175.78 3d29 h GLY 82 N 11.87 1.25 1.47 -0.03 0.00 -1.95 -1.64 103.07 114.03 3d29 h GLY 82 Ca -0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3d29 h GLY 82 CO 1.18 -0.11 0.25 -2.55 0.00 0.00 0.00 176.54 175.32 3d29 h PRO 83 N 0.48 0.70 -0.30 4.80 0.11 -2.00 -0.69 132.00 135.11 3d29 h PRO 83 Ca 0.44 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.45 3d29 h PRO 83 Cb 0.69 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 3d29 h PRO 83 CO -0.41 0.54 0.06 -0.44 -0.21 0.00 0.00 178.00 177.53 3d29 h ASP 84 N 0.70 0.46 -0.57 -2.05 3.45 -1.71 -2.79 116.42 113.92 3d29 h ASP 84 Ca 0.18 -0.25 0.06 0.00 0.43 0.00 0.00 57.03 57.46 3d29 h ASP 84 Cb 0.06 -0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 38.65 3d29 h ASP 84 CO -0.03 0.59 0.27 0.22 -1.57 0.00 0.00 179.24 178.72 3d29 h TYR 85 N 0.31 0.49 -0.06 4.55 3.20 -0.96 -0.83 116.97 123.67 3d29 h TYR 85 Ca 0.09 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.02 3d29 h TYR 85 Cb 0.31 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3d29 h TYR 85 CO 0.02 0.21 -0.20 -0.09 -1.64 0.00 0.00 178.16 176.46 3d29 h ARG 86 N 0.51 -0.28 -0.12 1.82 2.43 -0.94 0.11 114.38 117.91 3d29 h ARG 86 Ca 0.26 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.37 3d29 h ARG 86 Cb 0.22 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3d29 h ARG 86 CO -0.21 -0.19 -0.29 -0.39 -1.51 0.00 0.00 179.97 177.38 3d29 h VAL 87 N -0.29 1.25 -0.13 0.20 -1.51 -1.23 -1.71 116.25 112.84 3d29 h VAL 87 Ca 0.08 -1.21 -0.04 0.00 -1.23 0.00 0.00 66.70 64.30 3d29 h VAL 87 Cb 0.40 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 31.05 3d29 h VAL 87 CO -0.23 0.36 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.32 3d29 h LEU 88 N 0.20 0.18 -0.24 4.19 3.38 -0.09 -1.55 115.31 121.38 3d29 h LEU 88 Ca 0.03 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3d29 h LEU 88 Cb 0.63 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3d29 h LEU 88 CO 0.05 0.29 -0.18 0.58 0.09 0.00 0.00 178.44 179.27 3d29 h VAL 89 N 0.19 1.31 -0.57 1.22 2.07 0.10 -0.83 116.25 119.74 3d29 h VAL 89 Ca 0.04 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.25 3d29 h VAL 89 Cb 0.27 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3d29 h VAL 89 CO 0.01 0.41 0.36 0.44 0.02 0.00 0.00 177.57 178.81 3d29 h ASP 90 N 0.26 0.67 -0.61 0.57 3.32 -1.06 -0.51 116.42 119.06 3d29 h ASP 90 Ca 0.05 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3d29 h ASP 90 Cb 0.71 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3d29 h ASP 90 CO 0.05 0.52 0.06 0.11 -1.72 0.00 0.00 179.24 178.25 3d29 h LYS 91 N 0.77 1.05 -0.46 3.56 1.57 -1.25 -2.12 116.57 119.68 3d29 h LYS 91 Ca 0.21 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 3d29 h LYS 91 Cb -0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3d29 h LYS 91 CO -0.04 0.99 -0.08 0.77 -0.57 0.00 0.00 179.45 180.53 3d29 h SER 92 N 0.98 0.80 -0.24 0.86 0.02 -0.63 0.68 113.55 116.02 3d29 h SER 92 Ca 0.19 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.75 3d29 h SER 92 Cb 0.48 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3d29 h SER 92 CO 0.02 0.91 -0.40 0.03 -1.14 0.00 0.00 176.83 176.25 3d29 h ARG 93 N 0.75 0.79 -0.20 3.45 3.08 -0.98 -2.61 114.38 118.66 3d29 h ARG 93 Ca 0.13 -0.42 -0.07 0.00 0.07 0.00 0.00 59.98 59.70 3d29 h ARG 93 Cb 0.56 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 3d29 h ARG 93 CO 0.03 1.05 -0.13 -0.22 -1.07 0.00 0.00 179.97 179.63 3d29 h LYS 94 N 0.65 0.45 0.00 0.04 3.64 -1.08 -3.14 116.57 117.12 3d29 h LYS 94 Ca 0.05 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 3d29 h LYS 94 Cb 0.96 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 3d29 h LYS 94 CO 0.09 0.76 -0.20 -0.24 -2.27 0.00 0.00 179.45 177.59 3d29 h VAL 95 N 0.13 0.89 0.00 2.00 3.04 -0.87 0.27 116.25 121.72 3d29 h VAL 95 Ca 0.04 -0.76 -0.04 0.00 -1.01 0.00 0.00 66.70 64.94 3d29 h VAL 95 Cb 0.65 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 3d29 h VAL 95 CO 0.04 0.20 -0.17 0.00 -1.01 0.00 0.00 177.57 176.62 3d29 h ALA 96 N 1.80 1.42 0.00 3.17 0.00 -1.41 -1.40 119.26 122.84 3d29 h ALA 96 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3d29 h ALA 96 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3d29 h ALA 96 CO 0.03 0.22 -0.26 0.45 0.00 0.00 0.00 179.25 179.68 3d29 h HIS 97 N 0.00 0.00 -0.31 0.00 -0.00 -1.05 -1.65 115.15 112.15 3d29 h HIS 97 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 3d29 h HIS 97 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 3d29 h HIS 97 CO 0.00 0.00 0.22 1.79 -0.00 0.00 0.00 177.93 179.94 3d29 h THR 98 N -0.75 0.87 -0.31 2.45 1.35 -1.10 -1.42 112.91 113.98 3d29 h THR 98 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3d29 h THR 98 Cb 0.26 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.50 3d29 h THR 98 CO 0.00 0.01 0.00 -1.20 -0.25 0.00 0.00 175.52 174.08 3d29 n SER 99 N -4.46 2.84 0.14 5.36 7.64 -0.53 -4.77 113.62 119.85 3d29 n SER 99 Ca 0.04 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 58.03 3d29 n SER 99 Cb 0.36 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.68 -3.21 -0.28 1.43 4.19 -1.00 -4.88 117.16 114.09 3d29 n TYR 100 Ca 0.12 0.83 0.02 0.00 3.31 0.00 0.00 57.90 62.18 3d29 n TYR 100 Cb 0.42 2.08 0.24 0.00 0.49 0.00 0.00 39.34 42.57 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 1.01 0.00 2.98 3.64 -1.06 -0.06 116.57 123.08 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 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3d29 h LYS 101 CO 0.00 0.67 0.00 0.54 -2.27 0.00 0.00 179.45 178.39 3d29 n ARG 102 N -4.45 0.21 -0.11 1.90 1.74 -0.57 -0.23 116.66 115.15 3d29 n ARG 102 Ca 0.12 0.42 -0.20 0.00 -0.77 0.00 0.00 57.85 57.41 3d29 n ARG 102 Cb 0.13 -1.89 -0.08 0.00 -1.02 0.00 0.00 32.46 29.60 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 -2.29 1.51 0.91 0.55 2.08 -0.20 -4.67 119.36 117.25 3d29 n ILE 10 Ca 0.02 -0.12 0.11 0.00 0.56 0.00 0.00 62.75 63.32 3d29 n ILE 10 Cb 0.25 -2.08 0.06 0.00 -0.75 0.00 0.00 39.64 37.12 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 -4.38 0.00 -2.25 1.39 4.01 -0.24 -4.98 117.16 110.71 3d29 n TYR 103 Ca -0.35 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.23 3d29 n TYR 103 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.27 -0.17 3.36 2.72 0.00 0.68 -4.98 105.19 108.07 3d29 n GLY 104 Ca 0.11 -0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.71 0.88 0.55 1.61 -1.05 -1.25 -5.03 118.70 109.70 3d29 s GLU 105 Ca 0.00 -0.10 -0.19 0.00 -0.15 0.00 0.00 54.97 54.53 3d29 s GLU 105 Cb 0.00 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 34.04 3d29 s GLU 105 CO 0.00 -0.28 1.15 0.71 0.95 0.00 0.00 175.26 177.79 3d29 s TYR 106 N -1.66 2.61 0.59 4.83 2.02 -1.26 -3.47 117.35 121.02 3d29 s TYR 106 Ca -0.10 1.54 -0.17 0.00 -0.37 0.00 0.00 57.07 57.96 3d29 s TYR 106 Cb -0.02 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 3d29 s TYR 106 CO 0.04 -1.72 1.12 -1.25 -1.57 0.00 0.00 175.55 172.17 3d29 s PRO 107 N -3.28 3.12 0.64 -1.71 0.04 -1.26 -4.96 135.00 127.58 3d29 s PRO 107 Ca 0.74 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 63.12 3d29 s PRO 107 Cb -0.25 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 3d29 s PRO 107 CO 0.28 -1.01 1.09 -1.25 0.04 0.00 0.00 177.00 176.15 3d29 s PRO 108 N -3.67 3.00 0.19 0.56 0.04 -1.26 -4.82 135.00 129.04 3d29 s PRO 108 Ca 0.70 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.85 3d29 s PRO 108 Cb -0.22 -1.98 0.17 0.00 0.04 0.00 0.00 34.50 32.50 3d29 s PRO 108 CO 0.34 -1.08 1.61 1.15 0.04 0.00 0.00 177.00 179.06 3d29 h THR 109 N 0.13 0.29 -0.92 1.26 2.02 -1.93 -2.16 112.91 111.59 3d29 h THR 109 Ca -0.47 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.79 3d29 h THR 109 Cb 1.23 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 67.87 3d29 h THR 109 CO 0.55 0.00 0.60 0.07 0.37 0.00 0.00 175.52 177.11 3d29 h LYS 110 N -0.10 0.98 -0.23 6.66 2.10 -1.99 -1.87 116.57 122.12 3d29 h LYS 110 Ca 0.25 -0.06 -0.14 0.00 -2.00 0.00 0.00 60.65 58.70 3d29 h LYS 110 Cb 0.50 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3d29 h LYS 110 CO -0.63 0.65 -0.42 -0.07 -2.00 0.00 0.00 179.45 176.97 3d29 h LEU 111 N 1.00 0.76 -0.49 7.07 3.38 -1.77 -0.29 115.31 124.98 3d29 h LEU 111 Ca 0.41 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3d29 h LEU 111 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3d29 h LEU 111 CO -0.17 1.16 0.21 0.25 0.09 0.00 0.00 178.44 179.99 3d29 h LEU 112 N 0.40 0.67 -1.22 1.67 5.85 -1.33 0.29 115.31 121.64 3d29 h LEU 112 Ca 0.01 -0.15 0.08 0.00 0.84 0.00 0.00 57.88 58.66 3d29 h LEU 112 Cb 1.02 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.82 3d29 h LEU 112 CO 0.09 0.63 0.56 0.58 -0.34 0.00 0.00 178.44 179.97 3d29 h VAL 113 N 0.65 1.02 -0.76 1.05 2.07 -1.27 0.68 116.25 119.69 3d29 h VAL 113 Ca 0.17 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3d29 h VAL 113 Cb 0.16 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 3d29 h VAL 113 CO -0.02 0.17 0.34 -1.28 0.02 0.00 0.00 177.57 176.80 3d29 h SER 114 N 0.91 1.02 -0.15 0.57 0.87 0.53 0.16 113.55 117.46 3d29 h SER 114 Ca 0.38 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3d29 h SER 114 Cb 0.30 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3d29 h SER 114 CO -0.15 0.88 -0.01 -0.33 -0.53 0.00 0.00 176.83 176.69 3d29 h GLU 115 N 1.08 0.27 -0.18 2.24 4.39 1.00 -1.61 114.58 121.77 3d29 h GLU 115 Ca 0.26 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.89 3d29 h GLU 115 Cb 0.15 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3d29 h GLU 115 CO -0.03 0.52 0.00 0.28 -1.16 0.00 0.00 179.01 178.62 3d29 h VAL 116 N 0.00 0.88 -0.92 3.13 2.07 -0.82 -1.80 116.25 118.79 3d29 h VAL 116 Ca 0.04 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.65 3d29 h VAL 116 Cb 0.40 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 3d29 h VAL 116 CO 0.01 0.01 0.55 0.00 0.02 0.00 0.00 177.57 178.16 3d29 h ALA 117 N 1.15 1.36 -0.49 1.67 0.00 -0.91 -1.02 119.26 121.01 3d29 h ALA 117 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3d29 h ALA 117 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3d29 h ALA 117 CO -0.14 0.15 0.22 -0.22 0.00 0.00 0.00 179.25 179.26 3d29 h LYS 118 N 0.88 0.72 -1.00 0.00 3.64 -0.52 -0.30 116.57 120.00 3d29 h LYS 118 Ca 0.45 -0.12 0.10 0.00 -1.27 0.00 0.00 60.65 59.81 3d29 h LYS 118 Cb 0.45 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.07 3d29 h LYS 118 CO -0.27 0.62 0.63 0.82 -2.27 0.00 0.00 179.45 178.99 3d29 h ILE 119 N 0.65 0.99 -0.23 2.00 2.04 -0.42 -0.87 117.51 121.67 3d29 h ILE 119 Ca 0.17 -0.36 -0.19 0.00 1.00 0.00 0.00 64.86 65.47 3d29 h ILE 119 Cb 0.15 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3d29 h ILE 119 CO -0.02 0.19 -0.60 0.24 0.00 0.00 0.00 178.15 177.96 3d29 h MET 120 N 1.06 0.78 -0.72 2.37 2.86 -0.81 -3.09 114.93 117.37 3d29 h MET 120 Ca 0.47 -0.53 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3d29 h MET 120 Cb 0.35 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3d29 h MET 120 CO -0.23 1.15 0.37 0.37 1.06 0.00 0.00 176.91 179.64 3d29 h GLN 121 N 0.58 1.02 -0.28 1.72 -0.00 0.05 -2.19 115.11 116.01 3d29 h GLN 121 Ca -0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 58.65 58.49 3d29 h GLN 121 Cb 1.20 -0.20 -0.02 0.00 0.00 0.00 0.00 27.48 28.47 3d29 h GLN 121 CO 0.13 0.76 0.02 0.93 0.00 0.00 0.00 178.83 180.67 3d29 h GLU 122 N 1.02 0.41 0.00 1.69 5.08 -1.14 -0.91 114.58 120.73 3d29 h GLU 122 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3d29 h GLU 122 Cb 0.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3d29 h GLU 122 CO -0.04 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.39 3d29 n ALA 123 N -2.48 2.35 0.62 3.43 0.00 -0.83 -0.34 120.51 123.26 3d29 n ALA 123 Ca 0.01 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.39 3d29 n ALA 123 Cb 0.20 -1.34 -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 -0.35 -2.93 114.28 109.00 3d29 n THR 124 Ca 0.16 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3d29 n THR 124 Cb 0.07 0.84 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 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 -1.50 0.89 -0.71 -2.82 7.27 -0.84 -4.58 117.38 115.09 3d29 n GLN 125 Ca 0.02 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.77 3d29 n GLN 125 Cb 0.28 -0.65 0.16 0.00 2.41 0.00 0.00 30.24 32.44 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 -1.16 -1.41 -4.82 1.69 7.64 0.54 -4.52 113.62 111.58 3d29 n SER 126 Ca 0.00 0.24 -0.33 0.00 1.01 0.00 0.00 58.87 59.79 3d29 n SER 126 Cb 0.15 -1.25 -0.06 0.00 -1.01 0.00 0.00 64.21 62.04 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 -2.21 2.38 -0.72 0.23 0.00 -1.26 -4.18 107.32 101.56 3d29 s GLY 127 Ca 0.61 0.42 0.00 0.00 0.00 0.00 0.00 44.72 45.75 3d29 s GLY 127 CO 0.64 0.71 0.00 0.61 0.00 0.00 0.00 173.10 175.06 3d29 n GLY 128 N -0.65 0.76 3.36 0.20 0.00 0.81 -4.82 105.19 104.86 3d29 n GLY 128 Ca 0.07 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.83 1.19 0.28 1.61 -7.23 -1.26 -5.02 120.40 108.14 3d29 s VAL 129 Ca 0.00 -2.05 0.08 0.00 -1.81 0.00 0.00 61.98 58.20 3d29 s VAL 129 Cb 0.00 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 3d29 s VAL 129 CO 0.00 -0.30 0.10 0.00 -0.31 0.00 0.00 175.10 174.59 3d29 s ARG 130 N -3.83 2.53 0.78 4.82 1.70 -1.26 -4.33 118.95 119.36 3d29 s ARG 130 Ca 0.29 -1.31 -0.11 0.00 -0.47 0.00 0.00 55.73 54.13 3d29 s ARG 130 Cb 0.05 -2.31 0.06 0.00 -0.57 0.00 0.00 34.95 32.18 3d29 s ARG 130 CO 0.10 0.32 1.08 -2.14 -1.08 0.00 0.00 175.30 173.59 3d29 s PRO 131 N -3.77 2.21 0.17 3.89 0.02 -1.15 -4.76 135.00 131.61 3d29 s PRO 131 Ca 0.33 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 61.95 3d29 s PRO 131 Cb -0.06 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 3d29 s PRO 131 CO 0.22 -1.60 1.16 -0.06 -0.33 0.00 0.00 177.00 176.39 3d29 s PHE 132 N -3.02 3.49 -0.29 6.54 0.40 -1.26 -4.94 117.98 118.91 3d29 s PHE 132 Ca 0.61 1.49 -0.04 0.00 -0.60 0.00 0.00 56.93 58.38 3d29 s PHE 132 Cb -0.16 -3.37 -0.05 0.00 0.51 0.00 0.00 43.02 39.96 3d29 s PHE 132 CO 0.55 -0.96 3.02 0.41 0.70 0.00 0.00 175.22 178.94 3d29 n GLY 133 N 2.20 3.85 3.23 4.36 0.00 -1.26 -4.55 105.19 113.02 3d29 n GLY 133 Ca 0.04 -1.60 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.12 0.13 -0.00 1.61 -7.23 -1.26 -1.01 120.40 111.52 3d29 s VAL 134 Ca 0.60 -1.15 0.06 0.00 -1.81 0.00 0.00 61.98 59.68 3d29 s VAL 134 Cb 0.35 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 3d29 s VAL 134 CO -0.14 -0.58 -0.20 -0.44 -0.31 0.00 0.00 175.10 173.43 3d29 s SER 135 N -2.87 2.40 0.18 4.85 0.01 -1.01 -3.34 113.70 113.92 3d29 s SER 135 Ca 0.06 -0.40 0.10 0.00 1.31 0.00 0.00 55.95 57.02 3d29 s SER 135 Cb 0.04 -0.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 3d29 s SER 135 CO -0.10 0.23 -0.18 -0.76 0.41 0.00 0.00 173.24 172.84 3d29 s LEU 136 N -0.62 2.66 -0.19 2.44 1.43 0.43 -2.57 118.68 122.26 3d29 s LEU 136 Ca 0.08 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 3d29 s LEU 136 Cb -0.08 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.78 3d29 s LEU 136 CO -0.00 0.12 -0.09 -0.76 0.23 0.00 0.00 176.35 175.85 3d29 s LEU 137 N -2.64 2.10 -0.13 1.79 1.43 -0.44 -0.95 118.68 119.85 3d29 s LEU 137 Ca 0.22 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3d29 s LEU 137 Cb -0.09 -1.15 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 3d29 s LEU 137 CO 0.12 -0.16 -0.19 -0.63 0.23 0.00 0.00 176.35 175.73 3d29 s ILE 138 N 1.46 2.46 -0.02 -0.59 1.01 0.06 -1.54 121.20 124.04 3d29 s ILE 138 Ca -0.01 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.84 3d29 s ILE 138 Cb -0.16 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3d29 s ILE 138 CO -0.08 0.54 -0.19 0.00 0.00 0.00 0.00 174.94 175.21 3d29 s ALA 139 N 0.58 1.56 0.16 9.38 0.00 -0.57 0.10 121.76 132.97 3d29 s ALA 139 Ca -0.11 -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 3d29 s ALA 139 Cb -0.16 -0.41 0.04 0.00 0.00 0.00 0.00 23.12 22.59 3d29 s ALA 139 CO 0.03 0.38 0.49 0.41 0.00 0.00 0.00 175.76 177.07 3d29 n GLY 140 N 2.65 1.20 3.09 0.00 0.00 -0.87 -0.57 105.19 110.69 3d29 n GLY 140 Ca -0.15 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.63 0.00 -0.13 1.61 2.46 -0.55 -1.35 115.29 112.71 3d29 s HIS 141 Ca 0.10 -0.03 -0.18 0.00 0.47 0.00 0.00 55.06 55.43 3d29 s HIS 141 Cb -0.02 -0.03 0.04 0.00 -0.13 0.00 0.00 32.58 32.44 3d29 s HIS 141 CO 0.05 -0.24 0.46 0.16 -2.47 0.00 0.00 174.74 172.70 3d29 s ASP 142 N -1.06 -0.45 0.30 9.88 1.47 -0.71 -4.72 116.67 121.38 3d29 s ASP 142 Ca -0.12 0.75 -0.01 0.00 1.18 0.00 0.00 52.55 54.36 3d29 s ASP 142 Cb -0.06 0.79 0.67 0.00 -0.34 0.00 0.00 42.92 43.98 3d29 s ASP 142 CO 0.01 -0.27 1.57 -0.08 0.68 0.00 0.00 175.17 177.08 3d29 h GLU 143 N 4.83 0.00 -0.16 2.11 4.81 -2.01 0.20 114.58 124.36 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 0.27 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.74 3d29 n PHE 144 N -5.54 0.20 -0.16 0.92 3.01 -1.26 -4.26 117.46 110.38 3d29 n PHE 144 Ca 0.21 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3d29 n PHE 144 Cb 0.69 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.16 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 0.62 0.11 0.00 4.37 3.02 -0.50 -5.12 115.26 117.75 3d29 n ASN 145 Ca 0.17 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 3d29 n ASN 145 Cb 0.41 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 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 0.30 2.07 3.89 7.41 0.00 0.57 -4.72 105.19 114.72 3d29 n GLY 146 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 3.50 0.10 1.61 0.40 -1.26 -1.74 117.98 120.58 3d29 s PHE 147 Ca 0.00 0.67 -0.15 0.00 -0.60 0.00 0.00 56.93 56.85 3d29 s PHE 147 Cb 0.00 -2.09 0.03 0.00 0.51 0.00 0.00 43.02 41.47 3d29 s PHE 147 CO 0.00 0.43 0.36 -1.54 0.70 0.00 0.00 175.22 175.17 3d29 s SER 14 N -2.23 -0.18 -0.02 1.36 1.04 -0.45 -4.99 113.70 108.22 3d29 s SER 14 Ca 0.40 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.53 3d29 s SER 14 Cb -0.12 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.46 3d29 s SER 14 CO 0.22 -0.78 0.01 -0.22 0.98 0.00 0.00 173.24 173.45 3d29 s LEU 148 N -2.60 1.22 0.10 2.42 2.96 -1.26 -2.04 118.68 119.47 3d29 s LEU 148 Ca 0.01 -0.00 0.05 0.00 -0.22 0.00 0.00 54.13 53.96 3d29 s LEU 148 Cb 0.02 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.51 3d29 s LEU 148 CO -0.09 -0.10 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.41 3d29 s TYR 149 N 0.93 1.20 -0.05 5.38 2.02 0.11 -1.06 117.35 125.89 3d29 s TYR 149 Ca -0.09 -0.58 0.06 0.00 -0.37 0.00 0.00 57.07 56.10 3d29 s TYR 149 Cb -0.12 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.78 3d29 s TYR 149 CO -0.02 0.06 -0.24 -1.14 -1.57 0.00 0.00 175.55 172.64 3d29 s GLN 150 N -2.51 2.41 -0.12 -0.62 0.74 -0.46 -0.76 119.66 118.34 3d29 s GLN 150 Ca 0.05 -0.87 0.00 0.00 0.05 0.00 0.00 55.36 54.59 3d29 s GLN 150 Cb -0.05 -2.07 0.02 0.00 1.10 0.00 0.00 33.01 32.01 3d29 s GLN 150 CO 0.02 0.38 -0.11 0.08 -0.55 0.00 0.00 175.29 175.11 3d29 s VAL 151 N -0.19 1.26 0.35 1.34 1.01 -0.12 -1.60 120.40 122.45 3d29 s VAL 151 Ca -0.02 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3d29 s VAL 151 Cb -0.13 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3d29 s VAL 151 CO 0.03 0.41 0.51 -1.81 0.00 0.00 0.00 175.10 174.23 3d29 s ASP 152 N 1.54 6.04 0.66 3.32 -0.00 -0.26 -0.43 116.67 127.55 3d29 s ASP 152 Ca 0.03 0.05 0.27 0.00 -0.00 0.00 0.00 52.55 52.90 3d29 s ASP 152 Cb -0.13 -1.52 1.45 0.00 -0.00 0.00 0.00 42.92 42.72 3d29 s ASP 152 CO -0.08 -0.41 1.81 -0.65 -0.00 0.00 0.00 175.17 175.84 3d29 h PRO 153 N 0.81 0.00 0.00 8.23 0.11 -1.79 0.20 132.00 139.56 3d29 h PRO 153 Ca -0.48 0.00 -0.07 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 0.56 0.00 -0.33 0.66 -0.21 0.00 0.00 178.00 178.68 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 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d29 h SER 154 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3d29 h SER 154 CO 0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3d29 n GLY 155 N 0.99 0.67 3.80 -0.77 0.00 0.72 -4.25 105.19 106.34 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 -1.87 6.69 0.00 1.61 0.01 -1.25 -4.69 113.70 114.21 3d29 s SER 156 Ca 0.00 1.89 -0.08 0.00 1.31 0.00 0.00 55.95 59.07 3d29 s SER 156 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3d29 s SER 156 CO 0.00 -0.53 0.16 -0.72 0.41 0.00 0.00 173.24 172.56 3d29 s TYR 157 N -1.91 0.01 0.02 2.43 -0.85 -1.26 -1.10 117.35 114.71 3d29 s TYR 157 Ca 0.62 -0.09 -0.05 0.00 -0.52 0.00 0.00 57.07 57.02 3d29 s TYR 157 Cb -0.16 -0.03 -0.01 0.00 0.38 0.00 0.00 41.96 42.14 3d29 s TYR 157 CO 0.21 -0.31 0.09 -0.06 -1.52 0.00 0.00 175.55 173.95 3d29 s PHE 158 N -1.45 0.16 0.10 -3.49 0.40 -0.62 -4.95 117.98 108.13 3d29 s PHE 158 Ca -0.14 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.58 3d29 s PHE 158 Cb -0.07 -0.12 -0.07 0.00 0.51 0.00 0.00 43.02 43.27 3d29 s PHE 158 CO 0.02 -0.31 0.65 -1.25 0.70 0.00 0.00 175.22 175.03 3d29 s PRO 159 N -2.05 4.35 0.14 0.24 0.04 -1.26 -1.36 135.00 135.10 3d29 s PRO 159 Ca -0.10 0.90 0.05 0.00 0.04 0.00 0.00 61.00 61.90 3d29 s PRO 159 Cb -0.04 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 3d29 s PRO 159 CO -0.02 0.60 -0.12 -1.58 0.04 0.00 0.00 177.00 175.92 3d29 s TRP 160 N -1.07 1.34 -0.12 0.56 0.52 -0.22 -4.99 118.94 114.97 3d29 s TRP 160 Ca 0.32 -0.66 -0.02 0.00 0.02 0.00 0.00 56.10 55.76 3d29 s TRP 160 Cb -0.21 -0.68 -0.25 0.00 -1.15 0.00 0.00 33.47 31.18 3d29 s TRP 160 CO 0.22 0.13 0.37 1.63 0.02 0.00 0.00 176.95 179.31 3d29 n LYS 161 N 0.10 0.73 -3.55 4.98 5.02 -1.26 -4.25 118.16 119.93 3d29 n LYS 161 Ca -0.12 0.25 -0.11 0.00 -2.02 0.00 0.00 58.31 56.31 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 -0.06 7.82 0.00 -1.26 -0.40 121.76 123.43 3d29 s ALA 162 Ca -0.20 1.38 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 3d29 s ALA 162 Cb 0.07 -0.28 0.12 0.00 0.00 0.00 0.00 23.12 23.03 3d29 s ALA 162 CO 0.77 -0.43 1.36 -0.08 0.00 0.00 0.00 175.76 177.38 3d29 s THR 163 N -1.70 0.00 0.03 0.00 -1.32 -0.11 -4.99 115.64 107.55 3d29 s THR 163 Ca -0.01 -0.09 -0.12 0.00 -1.21 0.00 0.00 61.69 60.25 3d29 s THR 163 Cb -0.01 -2.43 0.01 0.00 -1.51 0.00 0.00 72.50 68.57 3d29 s THR 163 CO -0.00 0.00 0.26 0.00 -2.21 0.00 0.00 174.62 172.67 3d29 s ALA 164 N -2.11 -0.57 0.13 11.08 0.00 -1.26 -0.60 121.76 128.43 3d29 s ALA 164 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3d29 s ALA 164 Cb 0.04 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3d29 s ALA 164 CO -0.04 -0.37 0.01 0.96 0.00 0.00 0.00 175.76 176.32 3d29 s ILE 165 N -2.37 0.41 0.00 0.00 -4.36 -0.42 -4.80 121.20 109.65 3d29 s ILE 165 Ca -0.06 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.40 3d29 s ILE 165 Cb -0.02 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 41.76 3d29 s ILE 165 CO -0.02 -0.62 0.00 0.61 0.24 0.00 0.00 174.94 175.15 3d29 n GLY 166 N -0.10 -1.83 0.00 6.27 0.00 -1.26 -2.08 105.19 106.19 3d29 n GLY 166 Ca -0.08 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.77 1.61 4.81 0.15 -2.43 118.16 120.54 3d29 n LYS 167 Ca 0.00 0.55 -0.33 0.00 -0.87 0.00 0.00 58.31 57.65 3d29 n LYS 167 Cb 0.00 -0.85 0.05 0.00 0.02 0.00 0.00 35.03 34.25 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 -0.97 5.89 0.28 3.14 0.00 -1.26 -4.73 105.19 107.54 3d29 n GLY 168 Ca 0.00 -2.48 -0.07 0.00 0.00 0.00 0.00 46.02 43.47 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 2.40 0.87 0.16 1.61 4.64 -1.73 -1.25 113.55 120.25 3d29 h SER 169 Ca 0.52 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.69 3d29 h SER 169 Cb 0.72 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 3d29 h SER 169 CO 1.31 0.80 -0.27 0.58 -0.87 0.00 0.00 176.83 178.38 3d29 h VAL 170 N 0.89 0.41 -0.14 0.95 2.07 -1.85 0.39 116.25 118.98 3d29 h VAL 170 Ca 0.21 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.73 3d29 h VAL 170 Cb 0.19 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3d29 h VAL 170 CO -0.02 0.00 0.09 0.00 0.02 0.00 0.00 177.57 177.66 3d29 h ALA 171 N 0.19 0.18 -0.58 1.67 0.00 -1.93 -1.94 119.26 116.85 3d29 h ALA 171 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3d29 h ALA 171 Cb 0.51 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3d29 h ALA 171 CO -0.13 -0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.15 3d29 h ALA 172 N 1.01 0.75 -0.23 0.00 0.00 -0.98 -1.37 119.26 118.44 3d29 h ALA 172 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3d29 h ALA 172 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3d29 h ALA 172 CO -0.01 0.04 0.12 0.87 0.00 0.00 0.00 179.25 180.27 3d29 h LYS 173 N 0.65 0.33 -0.88 0.00 1.57 -0.04 -0.71 116.57 117.50 3d29 h LYS 173 Ca 0.24 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 3d29 h LYS 173 Cb 0.07 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3d29 h LYS 173 CO -0.12 0.31 0.53 1.15 -0.57 0.00 0.00 179.45 180.74 3d29 h THR 174 N 0.26 0.95 -0.47 -0.16 2.02 -1.02 -0.68 112.91 113.80 3d29 h THR 174 Ca 0.08 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.86 3d29 h THR 174 Cb 0.08 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 3d29 h THR 174 CO -0.01 0.16 -0.08 0.15 0.37 0.00 0.00 175.52 176.11 3d29 h PHE 175 N 0.89 0.92 -0.27 3.16 3.57 -0.69 -2.87 116.94 121.66 3d29 h PHE 175 Ca 0.42 -0.16 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 3d29 h PHE 175 Cb 0.34 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 3d29 h PHE 175 CO -0.04 0.88 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.53 3d29 h LEU 176 N 0.77 0.59 -1.26 0.59 3.38 -0.21 -2.88 115.31 116.28 3d29 h LEU 176 Ca 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3d29 h LEU 176 Cb 0.58 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3d29 h LEU 176 CO 0.04 0.88 0.33 -0.33 0.09 0.00 0.00 178.44 179.44 3d29 h GLU 177 N 0.49 0.83 -0.10 1.13 5.08 -0.94 0.30 114.58 121.36 3d29 h GLU 177 Ca 0.06 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 3d29 h GLU 177 Cb 0.80 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3d29 h GLU 177 CO 0.07 0.62 -0.63 0.87 -1.00 0.00 0.00 179.01 178.93 3d29 h LYS 178 N 0.84 0.36 0.00 2.33 1.57 -1.37 -3.33 116.57 116.97 3d29 h LYS 178 Ca 0.21 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3d29 h LYS 178 Cb 0.03 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3d29 h LYS 178 CO -0.03 0.88 -1.51 0.54 -0.57 0.00 0.00 179.45 178.76 3d29 n ARG 179 N -3.88 0.63 -2.71 3.15 5.12 -1.00 -4.97 116.66 113.00 3d29 n ARG 179 Ca -0.03 -0.02 -0.37 0.00 -1.93 0.00 0.00 57.85 55.50 3d29 n ARG 179 Cb 0.64 -1.68 -0.06 0.00 -1.16 0.00 0.00 32.46 30.20 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 -3.38 3.56 0.07 -1.55 -0.00 0.06 -5.06 118.94 112.64 3d29 s TRP 180 Ca -0.04 1.74 -0.20 0.00 -0.00 0.00 0.00 56.10 57.59 3d29 s TRP 180 Cb 0.11 -2.98 0.05 0.00 -0.00 0.00 0.00 33.47 30.65 3d29 s TRP 180 CO 0.85 -0.04 0.47 0.54 -0.00 0.00 0.00 176.95 178.76 3d29 s ASN 181 N -1.61 -0.37 0.00 5.86 2.20 -1.26 -4.97 114.94 114.79 3d29 s ASN 181 Ca 0.53 0.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.46 3d29 s ASN 181 Cb -0.19 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.53 3d29 s ASN 181 CO 0.25 -0.75 0.45 -0.90 -2.94 0.00 0.00 177.10 173.21 3d29 n ASP 182 N 0.24 1.12 0.00 3.54 3.85 -1.26 -2.98 116.55 121.07 3d29 n ASP 182 Ca -0.18 -1.38 0.00 0.00 -0.71 0.00 0.00 54.79 52.52 3d29 n ASP 182 Cb 0.61 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 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 0.31 0.71 -1.93 0.11 1.02 -1.26 -4.88 120.64 114.73 3d29 n GLU 183 Ca 0.00 -0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 56.01 3d29 n GLU 183 Cb 0.23 -0.78 -0.01 0.00 -0.02 0.00 0.00 31.44 30.86 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 -0.32 4.36 0.47 -4.62 1.43 -1.16 -4.85 118.68 114.00 3d29 s LEU 184 Ca 0.00 2.89 0.02 0.00 -1.03 0.00 0.00 54.13 56.01 3d29 s LEU 184 Cb 0.00 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.57 3d29 s LEU 184 CO 0.00 -0.75 0.68 -0.70 0.23 0.00 0.00 176.35 175.82 3d29 s GLU 185 N -1.77 2.87 0.14 1.70 -6.30 -1.26 -0.61 118.70 113.47 3d29 s GLU 185 Ca 0.52 -0.69 -0.18 0.00 -2.50 0.00 0.00 54.97 52.13 3d29 s GLU 185 Cb -0.44 -2.57 0.01 0.00 0.00 0.00 0.00 34.13 31.13 3d29 s GLU 185 CO 0.57 -0.39 1.73 1.25 0.02 0.00 0.00 175.26 178.44 3d29 h LEU 186 N 0.35 -0.02 -1.48 2.70 5.85 -1.90 -1.65 115.31 119.15 3d29 h LEU 186 Ca -0.44 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.45 3d29 h LEU 186 Cb 1.27 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 3d29 h LEU 186 CO 0.54 0.02 0.50 -0.33 -0.34 0.00 0.00 178.44 178.84 3d29 h GLU 187 N 0.13 0.52 -0.06 1.25 4.39 -1.96 1.00 114.58 119.84 3d29 h GLU 187 Ca 0.13 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 3d29 h GLU 187 Cb 0.14 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3d29 h GLU 187 CO -0.18 0.34 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.57 3d29 h ASP 188 N 0.53 0.12 -0.88 1.42 3.45 -1.75 -1.13 116.42 118.17 3d29 h ASP 188 Ca 0.37 -0.34 0.04 0.00 0.43 0.00 0.00 57.03 57.53 3d29 h ASP 188 Cb 0.69 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 39.37 3d29 h ASP 188 CO -0.13 0.43 0.57 0.00 -1.57 0.00 0.00 179.24 178.53 3d29 h ALA 189 N 0.69 1.17 -0.33 3.45 0.00 -0.26 0.11 119.26 124.09 3d29 h ALA 189 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3d29 h ALA 189 Cb 0.37 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3d29 h ALA 189 CO 0.00 0.40 0.15 0.82 0.00 0.00 0.00 179.25 180.63 3d29 h ILE 190 N 1.09 1.17 0.17 0.00 2.04 -0.76 0.19 117.51 121.41 3d29 h ILE 190 Ca 0.36 -0.51 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 3d29 h ILE 190 Cb 0.03 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3d29 h ILE 190 CO -0.13 0.18 -0.11 -0.74 0.00 0.00 0.00 178.15 177.35 3d29 h HIS 191 N 0.40 -0.29 -0.91 1.37 2.76 -0.55 -0.52 115.15 117.41 3d29 h HIS 191 Ca 0.11 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.37 3d29 h HIS 191 Cb 0.15 0.10 -0.07 0.00 1.55 0.00 0.00 27.41 29.15 3d29 h HIS 191 CO -0.01 -0.17 0.59 0.82 -1.30 0.00 0.00 177.93 177.85 3d29 h ILE 192 N -0.27 0.99 -0.06 6.26 1.08 -0.58 -1.10 117.51 123.82 3d29 h ILE 192 Ca -0.01 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3d29 h ILE 192 Cb 0.24 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 33.95 3d29 h ILE 192 CO 0.01 0.17 0.03 0.00 -0.69 0.00 0.00 178.15 177.67 3d29 h ALA 193 N 1.54 0.08 -0.75 1.87 0.00 -0.06 -0.45 119.26 121.49 3d29 h ALA 193 Ca 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3d29 h ALA 193 Cb 0.36 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3d29 h ALA 193 CO -0.18 -0.34 0.45 -0.07 0.00 0.00 0.00 179.25 179.11 3d29 h LEU 194 N -0.05 0.90 -0.16 0.00 3.38 -0.27 -1.12 115.31 118.00 3d29 h LEU 194 Ca 0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3d29 h LEU 194 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3d29 h LEU 194 CO -0.00 0.70 0.03 -0.07 0.09 0.00 0.00 178.44 179.18 3d29 h LEU 195 N 1.03 0.24 -1.26 1.67 3.38 -0.99 -2.19 115.31 117.19 3d29 h LEU 195 Ca 0.27 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3d29 h LEU 195 Cb -0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3d29 h LEU 195 CO -0.05 0.43 0.51 0.74 0.09 0.00 0.00 178.44 180.15 3d29 h THR 196 N 0.05 1.16 -0.02 0.22 2.02 -0.60 -2.30 112.91 113.44 3d29 h THR 196 Ca 0.05 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 3d29 h THR 196 Cb 0.29 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3d29 h THR 196 CO 0.00 0.18 -0.64 0.25 0.37 0.00 0.00 175.52 175.69 3d29 h LEU 197 N 0.99 0.10 -0.96 2.58 5.85 -1.10 -3.23 115.31 119.55 3d29 h LEU 197 Ca 0.29 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.01 3d29 h LEU 197 Cb -0.05 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3d29 h LEU 197 CO -0.07 0.71 0.61 0.50 -0.34 0.00 0.00 178.44 179.85 3d29 h LYS 198 N 0.06 1.09 -0.91 1.25 3.64 -0.79 -1.78 116.57 119.14 3d29 h LYS 198 Ca -0.01 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3d29 h LYS 198 Cb 1.14 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 3d29 h LYS 198 CO 0.09 0.72 0.52 0.93 -2.27 0.00 0.00 179.45 179.43 3d29 h GLU 199 N 1.12 1.26 0.00 1.90 4.39 -1.60 -2.58 114.58 119.07 3d29 h GLU 199 Ca 0.41 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.97 3d29 h GLU 199 Cb 0.15 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3d29 h GLU 199 CO -0.17 0.90 0.00 0.43 -1.16 0.00 0.00 179.01 179.02 3d29 n SER 200 N -4.34 0.00 -4.66 1.42 7.64 -0.72 -4.79 113.62 108.17 3d29 n SER 200 Ca 0.10 -0.01 -0.37 0.00 1.01 0.00 0.00 58.87 59.60 3d29 n SER 200 Cb 0.08 -0.33 -0.09 0.00 -1.01 0.00 0.00 64.21 62.86 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 -2.65 5.36 -0.02 0.44 1.01 -0.88 -4.96 120.40 118.69 3d29 s VAL 202 Ca 0.25 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 3d29 s VAL 202 Cb 0.19 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3d29 s VAL 202 CO 0.46 0.34 0.16 -0.33 0.00 0.00 0.00 175.10 175.74 3d29 h GLU 203 N 7.52 -0.04 0.00 2.72 3.07 -1.86 -3.48 114.58 122.50 3d29 h GLU 203 Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 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 0.65 -0.03 0.00 0.41 -1.40 0.00 0.00 179.01 178.65 3d29 n GLY 204 N 1.50 0.83 3.75 -3.84 0.00 -1.26 -5.00 105.19 101.17 3d29 n GLY 204 Ca -0.01 0.00 -0.36 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 0.42 2.85 -0.34 1.61 0.41 -1.26 -5.02 118.70 117.37 3d29 s GLU 205 Ca 0.00 1.93 0.00 0.00 -0.41 0.00 0.00 54.97 56.49 3d29 s GLU 205 Cb 0.00 -1.93 0.14 0.00 -1.78 0.00 0.00 34.13 30.56 3d29 s GLU 205 CO 0.00 -1.33 0.24 0.12 -0.49 0.00 0.00 175.26 173.80 3d29 s PHE 206 N -1.50 0.30 0.35 1.61 5.36 -1.26 -4.93 117.98 117.91 3d29 s PHE 206 Ca 0.79 -1.18 -0.06 0.00 -0.96 0.00 0.00 56.93 55.52 3d29 s PHE 206 Cb -0.33 -0.74 0.01 0.00 -0.34 0.00 0.00 43.02 41.62 3d29 s PHE 206 CO 0.36 -0.87 0.55 0.54 -1.46 0.00 0.00 175.22 174.34 3d29 s ASN 207 N 1.44 0.66 0.00 6.13 2.20 -1.26 -5.02 114.94 119.09 3d29 s ASN 207 Ca 0.16 -1.38 0.01 0.00 -0.94 0.00 0.00 52.86 50.70 3d29 s ASN 207 Cb -0.19 0.71 0.04 0.00 -2.00 0.00 0.00 41.25 39.81 3d29 s ASN 207 CO -0.09 -1.39 0.70 0.61 -2.94 0.00 0.00 177.10 173.99 3d29 n GLY 208 N -0.55 -0.19 0.00 0.45 0.00 -1.26 -1.45 105.19 102.19 3d29 n GLY 208 Ca -0.01 -0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.16 0.97 -0.24 1.61 8.00 -1.26 -4.26 116.55 120.20 3d29 n ASP 209 Ca 0.00 -0.52 0.04 0.00 0.71 0.00 0.00 54.79 55.02 3d29 n ASP 209 Cb 0.00 1.29 0.01 0.00 -0.02 0.00 0.00 41.12 42.41 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 -1.64 0.00 -4.53 -3.53 -2.24 -0.53 -4.89 114.28 96.92 3d29 n THR 20 Ca 0.01 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 61.04 3d29 n THR 20 Cb 0.31 1.13 -0.12 0.00 -2.10 0.00 0.00 70.33 69.54 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 -1.06 2.67 -0.08 2.28 1.01 -0.82 0.11 121.20 125.30 3d29 s ILE 210 Ca 0.08 -1.39 -0.00 0.00 0.00 0.00 0.00 60.65 59.33 3d29 s ILE 210 Cb 0.07 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.41 3d29 s ILE 210 CO 0.18 0.23 -0.04 -0.70 0.00 0.00 0.00 174.94 174.60 3d29 s GLU 211 N -1.74 1.04 -0.06 2.79 2.12 -0.28 -4.80 118.70 117.77 3d29 s GLU 211 Ca 0.15 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.36 3d29 s GLU 211 Cb -0.10 -1.20 0.02 0.00 0.26 0.00 0.00 34.13 33.10 3d29 s GLU 211 CO 0.07 -0.24 0.14 -1.17 -0.54 0.00 0.00 175.26 173.52 3d29 s LEU 212 N 1.66 1.22 0.16 2.70 0.20 -1.26 -1.28 118.68 122.08 3d29 s LEU 212 Ca 0.02 0.29 0.03 0.00 0.69 0.00 0.00 54.13 55.15 3d29 s LEU 212 Cb -0.13 0.44 -0.05 0.00 -0.43 0.00 0.00 46.19 46.02 3d29 s LEU 212 CO -0.05 -0.08 -0.05 0.00 -0.29 0.00 0.00 176.35 175.88 3d29 s ALA 213 N 0.44 1.39 0.14 5.97 0.00 -0.78 -0.94 121.76 127.98 3d29 s ALA 213 Ca -0.03 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.42 3d29 s ALA 213 Cb -0.04 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3d29 s ALA 213 CO -0.02 -0.22 -0.07 0.96 0.00 0.00 0.00 175.76 176.42 3d29 s ILE 214 N -3.50 0.89 -0.32 0.00 -4.36 0.39 -2.04 121.20 112.25 3d29 s ILE 214 Ca 0.20 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 3d29 s ILE 214 Cb 0.05 -1.85 0.10 0.00 1.25 0.00 0.00 42.46 42.00 3d29 s ILE 214 CO 0.02 -0.73 0.04 -0.63 0.24 0.00 0.00 174.94 173.88 3d29 s ILE 215 N -3.51 1.96 0.00 8.37 -1.09 -0.50 -1.07 121.20 125.36 3d29 s ILE 215 Ca 0.16 -2.06 0.00 0.00 -2.23 0.00 0.00 60.65 56.53 3d29 s ILE 215 Cb 0.04 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 38.51 3d29 s ILE 215 CO -0.01 -0.55 0.00 0.61 -1.23 0.00 0.00 174.94 173.76 3d29 n GLY 216 N 4.40 4.04 3.66 6.18 0.00 -0.35 -1.38 105.19 121.75 3d29 n GLY 216 Ca 0.01 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 0.20 1.61 1.01 -1.26 -4.72 116.67 117.12 3d29 s ASP 217 Ca 0.00 1.29 -0.30 0.00 0.71 0.00 0.00 52.55 54.25 3d29 s ASP 217 Cb 0.00 -1.97 -0.08 0.00 1.01 0.00 0.00 42.92 41.88 3d29 s ASP 217 CO 0.00 -3.16 1.10 -1.61 0.21 0.00 0.00 175.17 171.71 3d29 s GLU 21 N -4.90 4.61 -0.98 8.23 2.02 -1.26 -4.29 118.70 122.13 3d29 s GLU 21 Ca 0.65 1.73 -0.05 0.00 0.02 0.00 0.00 54.97 57.33 3d29 s GLU 21 Cb -0.19 -3.26 0.24 0.00 0.10 0.00 0.00 34.13 31.03 3d29 s GLU 21 CO 0.58 0.12 0.91 -0.80 0.02 0.00 0.00 175.26 176.10 3d29 s ASN 21 N -0.33 6.54 0.57 -0.19 0.01 -0.11 -4.89 114.94 116.54 3d29 s ASN 21 Ca 0.48 -3.67 0.27 0.00 -0.71 0.00 0.00 52.86 49.22 3d29 s ASN 21 Cb -0.30 -2.03 1.54 0.00 0.41 0.00 0.00 41.25 40.87 3d29 s ASN 21 CO 0.36 -0.22 2.07 1.55 -1.51 0.00 0.00 177.10 179.34 3d29 h PRO 21 N 6.27 0.00 -1.92 -0.60 0.13 -1.47 -3.23 132.00 131.18 3d29 h PRO 21 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3d29 h PRO 21 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3d29 h PRO 21 CO 0.92 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.29 3d29 n ASP 21 N -4.01 2.55 0.00 1.44 5.75 -1.26 -4.49 116.55 116.53 3d29 n ASP 21 Ca 0.03 -1.62 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 3d29 n ASP 21 Cb 0.39 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 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 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 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 0.50 3.60 -3.96 0.00 -1.26 -5.04 105.19 99.03 3d29 n GLY 21 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.16 -0.32 0.24 1.61 1.13 -1.26 -5.19 117.35 111.40 3d29 s TYR 21 Ca 0.00 0.07 0.03 0.00 -1.41 0.00 0.00 57.07 55.77 3d29 s TYR 21 Cb 0.00 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.40 3d29 s TYR 21 CO 0.00 -0.80 0.01 0.95 -2.51 0.00 0.00 175.55 173.20 3d29 s THR 21 N -3.45 0.98 0.00 -3.49 -4.23 -1.26 -4.93 115.64 99.26 3d29 s THR 21 Ca 0.07 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3d29 s THR 21 Cb -0.02 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.43 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 -0.43 1.79 3.14 3.99 0.00 -1.26 -5.08 105.19 107.35 3d29 n GLY 21 Ca -0.04 0.00 -0.37 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 -1.59 3.37 0.26 -0.61 1.09 -1.26 -4.99 121.20 117.47 3d29 s ILE 21 Ca 0.00 -1.90 -0.08 0.00 -1.10 0.00 0.00 60.65 57.57 3d29 s ILE 21 Cb 0.00 -3.24 0.35 0.00 -1.06 0.00 0.00 42.46 38.51 3d29 s ILE 21 CO 0.00 -0.60 1.60 -0.65 -0.10 0.00 0.00 174.94 175.18 3d29 h PRO 21 N 8.09 0.02 0.00 2.79 0.11 -2.02 -0.38 132.00 140.61 3d29 h PRO 21 Ca -0.15 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 3d29 h PRO 21 Cb 1.05 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3d29 h PRO 21 CO 0.69 0.02 -0.09 1.79 -0.21 0.00 0.00 178.00 180.19 3d29 h THR 21 N 0.03 0.48 -2.92 -1.15 1.35 -2.06 -3.38 112.91 105.25 3d29 h THR 21 Ca 0.43 -0.45 -0.63 0.00 -0.55 0.00 0.00 66.41 65.21 3d29 h THR 21 Cb 0.73 1.31 -0.14 0.00 -1.73 0.00 0.00 68.15 68.31 3d29 h THR 21 CO -0.83 0.09 0.48 -1.81 -0.25 0.00 0.00 175.52 173.21 3d29 s ASP 21 N -6.05 6.24 0.00 5.36 -0.00 -0.15 -4.88 116.67 117.18 3d29 s ASP 21 Ca -0.03 -0.77 0.21 0.00 -0.00 0.00 0.00 52.55 51.96 3d29 s ASP 21 Cb 0.13 -2.41 -0.08 0.00 -0.00 0.00 0.00 42.92 40.56 3d29 s ASP 21 CO 0.57 -1.30 0.98 0.29 -0.00 0.00 0.00 175.17 175.71 3d29 n LYS 21 N 7.41 0.99 0.00 8.23 5.02 -1.26 -4.81 118.16 133.74 3d29 n LYS 21 Ca -0.02 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 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 1.41 2.90 3.77 0.72 0.00 -1.26 -1.24 105.19 111.48 3d29 n GLY 218 Ca 0.07 -1.89 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 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 -3.30 3.66 0.16 1.61 0.04 -1.26 -3.90 135.00 132.01 3d29 s PRO 219 Ca 0.00 1.86 0.23 0.00 0.04 0.00 0.00 61.00 63.13 3d29 s PRO 219 Cb 0.00 -2.39 0.07 0.00 0.04 0.00 0.00 34.50 32.22 3d29 s PRO 219 CO 0.00 -0.66 1.08 0.54 0.04 0.00 0.00 177.00 178.01 3d29 n ARG 220 N -0.56 0.51 -2.76 4.56 1.74 -0.11 -0.94 116.66 119.10 3d29 n ARG 220 Ca 0.08 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 3d29 n ARG 220 Cb 0.47 -1.77 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 3d29 n ARG 220 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3d29 s PHE 221 N -3.31 3.79 -0.19 -1.55 5.36 -0.34 -1.21 117.98 120.53 3d29 s PHE 221 Ca 0.01 1.75 -0.10 0.00 -0.96 0.00 0.00 56.93 57.63 3d29 s PHE 221 Cb 0.11 -3.03 0.07 0.00 -0.34 0.00 0.00 43.02 39.83 3d29 s PHE 221 CO 0.78 0.19 0.45 0.50 -1.46 0.00 0.00 175.22 175.69 3d29 s ARG 222 N 0.09 0.42 -0.06 10.12 3.52 -0.24 -5.00 118.95 127.81 3d29 s ARG 222 Ca 0.46 0.91 -0.21 0.00 -0.13 0.00 0.00 55.73 56.76 3d29 s ARG 222 Cb -0.23 0.08 -0.04 0.00 -1.56 0.00 0.00 34.95 33.20 3d29 s ARG 222 CO 0.29 -0.18 0.59 0.21 -0.81 0.00 0.00 175.30 175.40 3d29 s LYS 223 N 1.70 4.36 0.49 5.12 2.20 -1.26 -0.46 119.74 131.88 3d29 s LYS 223 Ca -0.08 0.69 -0.20 0.00 -0.36 0.00 0.00 55.97 56.03 3d29 s LYS 223 Cb -0.09 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 3d29 s LYS 223 CO -0.14 0.21 1.01 -0.51 -0.36 0.00 0.00 175.35 175.56 3d29 s LEU 224 N 0.37 3.81 0.42 5.43 1.43 -0.12 -4.98 118.68 125.05 3d29 s LEU 224 Ca 0.32 1.82 -0.07 0.00 -1.03 0.00 0.00 54.13 55.17 3d29 s LEU 224 Cb -0.17 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.45 3d29 s LEU 224 CO 0.15 -0.70 0.74 0.42 0.23 0.00 0.00 176.35 177.19 3d29 s THR 225 N -2.15 4.89 0.21 5.49 -4.23 -1.26 -4.75 115.64 113.83 3d29 s THR 225 Ca 0.65 0.31 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 3d29 s THR 225 Cb -0.14 -3.80 0.20 0.00 1.34 0.00 0.00 72.50 70.10 3d29 s THR 225 CO 0.21 -0.65 1.65 -1.28 -0.54 0.00 0.00 174.62 174.01 3d29 h SER 226 N 0.81 -0.36 -0.28 3.99 0.87 -1.95 -0.30 113.55 116.33 3d29 h SER 226 Ca -0.47 0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.27 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 -0.14 0.10 -0.61 -0.53 0.00 0.00 176.83 176.28 3d29 h GLN 227 N 0.08 0.23 -0.38 2.24 5.75 -1.94 -1.73 115.11 119.36 3d29 h GLN 227 Ca 0.30 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.88 3d29 h GLN 227 Cb 0.49 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 3d29 h GLN 227 CO -0.55 0.15 0.26 0.93 -2.65 0.00 0.00 178.83 176.98 3d29 h GLU 228 N 0.23 0.13 -0.01 1.69 5.08 -1.48 -2.17 114.58 118.04 3d29 h GLU 228 Ca 0.12 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 3d29 h GLU 228 Cb 0.08 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3d29 h GLU 228 CO -0.12 0.08 -0.27 0.82 -1.00 0.00 0.00 179.01 178.53 3d29 h ILE 229 N 0.13 1.51 -0.89 3.13 2.04 -0.40 -3.19 117.51 119.84 3d29 h ILE 229 Ca 0.18 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 64.16 3d29 h ILE 229 Cb 0.53 2.66 -0.04 0.00 -0.74 0.00 0.00 36.82 39.22 3d29 h ILE 229 CO -0.02 0.52 0.58 0.78 0.00 0.00 0.00 178.15 180.01 3d29 h ASN 230 N -0.42 1.03 -0.66 1.72 2.35 -0.90 -1.06 115.58 117.63 3d29 h ASN 230 Ca -0.03 -0.03 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 3d29 h ASN 230 Cb 0.99 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 39.05 3d29 h ASN 230 CO 0.05 0.75 0.37 0.44 -1.65 0.00 0.00 177.43 177.40 3d29 h ASP 231 N 1.21 0.56 0.94 5.81 3.32 -1.48 -0.93 116.42 125.85 3d29 h ASP 231 Ca 0.33 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.33 3d29 h ASP 231 Cb -0.13 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3d29 h ASP 231 CO -0.07 0.36 -0.33 0.03 -1.72 0.00 0.00 179.24 177.51 3d29 h ARG 232 N 0.69 0.00 0.00 3.56 3.08 -1.38 -2.93 114.38 117.40 3d29 h ARG 232 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3d29 h ARG 232 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3d29 h ARG 232 CO -0.18 0.33 0.00 -0.07 -1.07 0.00 0.00 179.97 178.98 3d29 h LEU 233 N 0.00 0.00 -0.03 3.04 3.38 0.10 -2.51 115.31 119.30 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 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 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 -0.54 1.13 5.08 -1.27 -2.93 114.58 116.04 3d29 h GLU 234 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 3d29 h GLU 234 Cb 0.51 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 3d29 h GLU 234 CO 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 179.01 178.15 3d29 n ALA 235 N -1.99 4.13 1.72 3.43 0.00 -0.95 -5.15 120.51 121.69 3d29 n ALA 235 Ca 0.04 -2.50 0.14 0.00 0.00 0.00 0.00 53.44 51.12 3d29 n ALA 235 Cb 0.49 -1.01 0.82 0.00 0.00 0.00 0.00 19.45 19.75 3d29 n ALA 235 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39