#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 n GLY 7 N 0.00 1.97 1.09 0.00 0.00 -1.26 -3.52 105.19 103.47 3d29 n GLY 7 Ca 0.00 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.93 3d29 n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d29 n TYR 8 N 0.14 0.38 1.40 1.61 4.01 -1.26 -4.11 117.16 119.33 3d29 n TYR 8 Ca 0.08 -0.19 0.01 0.00 -0.16 0.00 0.00 57.90 57.63 3d29 n TYR 8 Cb 0.52 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.58 3d29 n TYR 8 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3d29 n ASP 9 N 1.42 0.00 -0.05 7.72 5.75 -1.23 -1.88 116.55 128.28 3d29 n ASP 9 Ca 0.18 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.60 3d29 n ASP 9 Cb 0.60 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.70 3d29 n ASP 9 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3d29 n ARG 10 N -0.53 1.26 -0.01 0.11 1.74 -1.26 -4.45 116.66 113.52 3d29 n ARG 10 Ca 0.01 -1.10 0.01 0.00 -0.77 0.00 0.00 57.85 55.99 3d29 n ARG 10 Cb 0.00 -1.02 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 3d29 n ARG 10 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3d29 n HIS 11 N -0.20 0.00 -4.32 -1.55 8.25 -0.79 -4.59 115.22 112.03 3d29 n HIS 11 Ca 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.30 3d29 n HIS 11 Cb 0.16 -0.17 -0.10 0.00 1.12 0.00 0.00 29.99 30.99 3d29 n HIS 11 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3d29 s ILE 12 N -2.29 0.63 -1.44 1.59 -0.00 -1.23 -4.98 121.20 113.49 3d29 s ILE 12 Ca -0.02 -2.00 -0.11 0.00 -0.00 0.00 0.00 60.65 58.52 3d29 s ILE 12 Cb 0.03 -2.57 -0.05 0.00 -0.00 0.00 0.00 42.46 39.87 3d29 s ILE 12 CO 0.22 -0.08 2.59 0.35 -0.00 0.00 0.00 174.94 178.03 3d29 n THR 13 N -0.45 3.69 -4.53 8.37 -2.24 -1.26 -4.69 114.28 113.17 3d29 n THR 13 Ca -0.01 -2.49 -0.26 0.00 -2.27 0.00 0.00 64.05 59.02 3d29 n THR 13 Cb 0.66 -2.53 -0.10 0.00 -2.10 0.00 0.00 70.33 66.25 3d29 n THR 13 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3d29 s ILE 14 N 2.79 2.23 0.46 2.28 -0.00 -1.26 -4.64 121.20 123.06 3d29 s ILE 14 Ca 0.59 -2.22 -0.23 0.00 -0.00 0.00 0.00 60.65 58.79 3d29 s ILE 14 Cb 0.16 -2.60 -0.07 0.00 -0.00 0.00 0.00 42.46 39.95 3d29 s ILE 14 CO -0.05 -0.23 1.18 -0.36 -0.00 0.00 0.00 174.94 175.48 3d29 s PHE 15 N -2.62 2.84 0.37 1.37 0.08 -1.26 -4.69 117.98 114.07 3d29 s PHE 15 Ca 0.32 1.52 0.02 0.00 0.12 0.00 0.00 56.93 58.91 3d29 s PHE 15 Cb 0.02 -3.42 -0.02 0.00 -0.57 0.00 0.00 43.02 39.03 3d29 s PHE 15 CO 0.16 -1.61 0.55 -1.54 -0.10 0.00 0.00 175.22 172.69 3d29 s SER 16 N -1.30 6.10 0.63 1.36 1.04 -0.24 -4.87 113.70 116.41 3d29 s SER 16 Ca 0.64 0.26 0.28 0.00 0.48 0.00 0.00 55.95 57.61 3d29 s SER 16 Cb -0.30 -1.73 1.49 0.00 0.10 0.00 0.00 66.02 65.59 3d29 s SER 16 CO 0.36 -0.42 1.87 -0.65 0.98 0.00 0.00 173.24 175.38 3d29 h PRO 17 N 0.71 0.00 -0.03 4.02 0.11 -1.97 0.59 132.00 135.43 3d29 h PRO 17 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3d29 h PRO 17 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d29 h PRO 17 CO 0.59 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 3d29 n GLU 18 N -3.26 1.47 -1.18 1.05 4.71 -1.26 -4.89 120.64 117.28 3d29 n GLU 18 Ca 0.03 -0.69 0.00 0.00 -0.01 0.00 0.00 57.16 56.49 3d29 n GLU 18 Cb 0.54 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 29.51 3d29 n GLU 18 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3d29 n GLY 19 N 1.10 0.41 3.84 0.62 0.00 0.21 -5.04 105.19 106.33 3d29 n GLY 19 Ca 0.20 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 3d29 n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d29 s ARG 20 N -2.38 2.90 -0.50 1.61 0.52 -1.25 -4.80 118.95 115.06 3d29 s ARG 20 Ca 0.00 -1.10 0.03 0.00 -0.52 0.00 0.00 55.73 54.14 3d29 s ARG 20 Cb 0.00 -2.56 0.13 0.00 0.52 0.00 0.00 34.95 33.04 3d29 s ARG 20 CO 0.00 0.32 0.25 -0.51 0.02 0.00 0.00 175.30 175.39 3d29 s LEU 21 N -3.89 3.82 0.27 2.53 1.43 -1.26 -1.08 118.68 120.49 3d29 s LEU 21 Ca 0.35 -2.90 -0.01 0.00 -1.03 0.00 0.00 54.13 50.54 3d29 s LEU 21 Cb -0.07 -1.46 0.52 0.00 0.03 0.00 0.00 46.19 45.21 3d29 s LEU 21 CO 0.26 -0.24 1.79 1.88 0.23 0.00 0.00 176.35 180.27 3d29 h TYR 22 N 6.57 0.92 -0.51 0.29 0.05 -1.86 -1.05 116.97 121.38 3d29 h TYR 22 Ca -0.06 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.79 3d29 h TYR 22 Cb 0.90 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 38.34 3d29 h TYR 22 CO 0.51 0.30 0.34 1.96 -1.05 0.00 0.00 178.16 180.22 3d29 h GLN 23 N 0.78 0.55 -0.28 4.88 1.08 -1.84 0.31 115.11 120.60 3d29 h GLN 23 Ca 0.46 -0.03 -0.18 0.00 -1.45 0.00 0.00 58.65 57.45 3d29 h GLN 23 Cb 0.56 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3d29 h GLN 23 CO -0.31 0.37 -0.53 0.28 -0.95 0.00 0.00 178.83 177.69 3d29 h VAL 24 N 0.57 1.28 -0.49 -0.54 2.07 -1.57 -1.25 116.25 116.32 3d29 h VAL 24 Ca 0.21 -1.73 -0.07 0.00 0.82 0.00 0.00 66.70 65.93 3d29 h VAL 24 Cb 0.11 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3d29 h VAL 24 CO -0.05 0.56 0.03 -0.33 0.02 0.00 0.00 177.57 177.79 3d29 h GLU 25 N 0.63 0.84 0.00 1.57 5.08 -0.50 -1.98 114.58 120.22 3d29 h GLU 25 Ca 0.02 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 3d29 h GLU 25 Cb 1.13 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3d29 h GLU 25 CO 0.12 0.87 -0.24 1.88 -1.00 0.00 0.00 179.01 180.63 3d29 h TYR 26 N 0.70 0.00 -0.12 4.33 0.05 -0.40 -2.22 116.97 119.31 3d29 h TYR 26 Ca 0.14 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 3d29 h TYR 26 Cb 0.47 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 3d29 h TYR 26 CO 0.04 0.24 -0.05 0.00 -1.05 0.00 0.00 178.16 177.33 3d29 h ALA 27 N 1.76 0.17 -1.00 3.88 0.00 -0.66 -2.31 119.26 121.11 3d29 h ALA 27 Ca -0.00 -0.25 0.17 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 27 Cb 0.59 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 3d29 h ALA 27 CO 0.03 -0.05 0.62 0.74 0.00 0.00 0.00 179.25 180.59 3d29 h PHE 28 N -0.09 1.06 -0.76 0.00 0.04 -0.88 0.14 116.94 116.46 3d29 h PHE 28 Ca 0.03 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 3d29 h PHE 28 Cb 0.50 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 3d29 h PHE 28 CO 0.06 0.30 0.43 -0.22 -0.60 0.00 0.00 178.31 178.28 3d29 h LYS 29 N 0.82 1.05 0.00 1.51 1.63 -1.03 -1.88 116.57 118.67 3d29 h LYS 29 Ca 0.55 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 60.21 3d29 h LYS 29 Cb 0.79 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 3d29 h LYS 29 CO -0.33 0.76 -0.13 0.00 -3.45 0.00 0.00 179.45 176.30 3d29 h ALA 30 N 1.41 1.19 -0.02 5.00 0.00 -0.17 -2.93 119.26 123.73 3d29 h ALA 30 Ca 0.27 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3d29 h ALA 30 Cb 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3d29 h ALA 30 CO -0.05 0.16 0.02 1.79 0.00 0.00 0.00 179.25 181.17 3d29 h THR 31 N 0.00 0.59 -0.01 0.00 1.35 -1.10 -1.24 112.91 112.50 3d29 h THR 31 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3d29 h THR 31 Cb 0.42 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3d29 h THR 31 CO 0.02 0.00 -0.13 0.59 -0.25 0.00 0.00 175.52 175.75 3d29 n ASN 32 N -3.95 1.34 -0.37 5.36 3.02 -1.11 -3.04 115.26 116.52 3d29 n ASN 32 Ca -0.03 -1.24 0.29 0.00 -0.03 0.00 0.00 54.58 53.58 3d29 n ASN 32 Cb 0.10 0.07 0.58 0.00 -0.61 0.00 0.00 39.78 39.93 3d29 n ASN 32 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3d29 h GLN 33 N 1.91 0.23 0.00 3.52 4.15 -1.38 0.16 115.11 123.71 3d29 h GLN 33 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3d29 h GLN 33 Cb 0.52 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3d29 h GLN 33 CO 0.00 0.15 0.00 0.25 -1.93 0.00 0.00 178.83 177.30 3d29 n THR 34 N -4.63 0.03 -3.76 2.39 -2.24 -1.26 -4.95 114.28 99.86 3d29 n THR 34 Ca 0.30 0.01 -0.23 0.00 -2.27 0.00 0.00 64.05 61.86 3d29 n THR 34 Cb 1.14 -0.51 0.02 0.00 -2.10 0.00 0.00 70.33 68.87 3d29 n THR 34 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3d29 n ASN 34 N -1.48 -1.14 -3.90 3.42 4.05 0.57 -4.98 115.26 111.79 3d29 n ASN 34 Ca 0.07 -0.87 -0.15 0.00 0.45 0.00 0.00 54.58 54.08 3d29 n ASN 34 Cb 0.33 -3.79 -0.15 0.00 1.23 0.00 0.00 39.78 37.40 3d29 n ASN 34 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3d29 s ILE 35 N -3.74 0.26 0.09 -1.44 1.01 -1.26 -4.97 121.20 111.16 3d29 s ILE 35 Ca 0.02 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.61 3d29 s ILE 35 Cb -0.01 -0.25 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 3d29 s ILE 35 CO 0.83 0.10 0.09 0.20 0.00 0.00 0.00 174.94 176.16 3d29 s ASN 36 N 0.18 5.55 0.04 3.58 0.01 -1.26 -4.36 114.94 118.68 3d29 s ASN 36 Ca -0.02 -0.02 -0.01 0.00 -0.71 0.00 0.00 52.86 52.11 3d29 s ASN 36 Cb -0.04 -1.49 -0.03 0.00 0.41 0.00 0.00 41.25 40.09 3d29 s ASN 36 CO -0.00 0.16 -0.03 -0.94 -1.51 0.00 0.00 177.10 174.77 3d29 s SER 37 N -2.51 0.42 -0.03 -1.22 1.04 0.47 -1.38 113.70 110.50 3d29 s SER 37 Ca 0.30 -0.87 -0.23 0.00 0.48 0.00 0.00 55.95 55.63 3d29 s SER 37 Cb -0.12 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.22 3d29 s SER 37 CO 0.22 -0.52 0.49 -1.48 0.98 0.00 0.00 173.24 172.94 3d29 s LEU 38 N -2.54 0.09 0.04 2.42 0.05 0.14 -0.38 118.68 118.51 3d29 s LEU 38 Ca 0.01 0.38 0.04 0.00 0.05 0.00 0.00 54.13 54.61 3d29 s LEU 38 Cb 0.03 1.91 -0.02 0.00 -2.05 0.00 0.00 46.19 46.06 3d29 s LEU 38 CO -0.08 -0.54 -0.12 0.00 -0.55 0.00 0.00 176.35 175.06 3d29 s ALA 39 N -1.35 0.99 0.04 1.48 0.00 0.65 -0.62 121.76 122.95 3d29 s ALA 39 Ca -0.12 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 3d29 s ALA 39 Cb -0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3d29 s ALA 39 CO 0.06 0.15 -0.01 0.14 0.00 0.00 0.00 175.76 176.10 3d29 s VAL 40 N -0.99 0.19 -0.14 0.00 -7.23 -0.34 -1.43 120.40 110.45 3d29 s VAL 40 Ca -0.02 -1.53 -0.05 0.00 -1.81 0.00 0.00 61.98 58.58 3d29 s VAL 40 Cb -0.08 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 3d29 s VAL 40 CO 0.01 -0.84 0.03 -0.13 -0.31 0.00 0.00 175.10 173.86 3d29 s ARG 41 N -3.26 3.58 0.00 4.82 0.52 -1.23 -1.85 118.95 121.53 3d29 s ARG 41 Ca 0.01 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 3d29 s ARG 41 Cb 0.03 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.48 3d29 s ARG 41 CO -0.08 0.44 0.00 0.41 0.02 0.00 0.00 175.30 176.09 3d29 n GLY 42 N 2.99 0.90 0.23 -3.53 0.00 0.68 -0.17 105.19 106.29 3d29 n GLY 42 Ca -0.18 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 3d29 n GLY 42 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d29 h LYS 43 N 0.00 0.64 -0.09 1.61 3.64 -1.87 -3.39 116.57 117.12 3d29 h LYS 43 Ca 0.00 -0.35 -0.19 0.00 -1.27 0.00 0.00 60.65 58.84 3d29 h LYS 43 Cb 0.00 0.02 -0.19 0.00 -0.41 0.00 0.00 32.23 31.65 3d29 h LYS 43 CO 0.00 0.96 -0.43 -0.40 -2.27 0.00 0.00 179.45 177.31 3d29 n ASP 44 N -4.01 -0.99 -3.93 4.20 3.85 -1.26 -4.86 116.55 109.54 3d29 n ASP 44 Ca -0.02 -2.22 -0.09 0.00 -0.71 0.00 0.00 54.79 51.75 3d29 n ASP 44 Cb 0.55 0.52 -0.04 0.00 -1.35 0.00 0.00 41.12 40.79 3d29 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3d29 s THR 46 N -3.98 -0.03 -0.02 0.00 2.01 0.11 -0.23 115.64 113.51 3d29 s THR 46 Ca 0.18 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.33 3d29 s THR 46 Cb -0.02 -0.07 -0.01 0.00 0.01 0.00 0.00 72.50 72.41 3d29 s THR 46 CO 0.07 0.04 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.15 3d29 s VAL 47 N 0.48 1.53 -0.06 3.82 1.01 -0.77 -0.14 120.40 126.27 3d29 s VAL 47 Ca -0.04 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3d29 s VAL 47 Cb -0.06 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3d29 s VAL 47 CO -0.01 0.43 -0.14 0.68 0.00 0.00 0.00 175.10 176.06 3d29 s VAL 48 N -0.45 1.21 0.01 2.92 -7.23 -0.57 -1.20 120.40 115.09 3d29 s VAL 48 Ca 0.07 -0.55 0.09 0.00 -1.81 0.00 0.00 61.98 59.78 3d29 s VAL 48 Cb -0.08 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.76 3d29 s VAL 48 CO -0.01 0.37 -0.26 -0.63 -0.31 0.00 0.00 175.10 174.26 3d29 s ILE 49 N 0.45 2.07 -0.06 -0.62 1.09 0.21 -1.15 121.20 123.19 3d29 s ILE 49 Ca -0.11 -1.25 -0.07 0.00 -1.10 0.00 0.00 60.65 58.12 3d29 s ILE 49 Cb -0.14 -1.75 0.02 0.00 -1.06 0.00 0.00 42.46 39.53 3d29 s ILE 49 CO 0.03 0.46 0.19 -0.55 -0.10 0.00 0.00 174.94 174.98 3d29 s SER 50 N -0.93 -0.18 0.65 3.58 0.15 -0.44 -0.68 113.70 115.85 3d29 s SER 50 Ca 0.11 0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.92 3d29 s SER 50 Cb -0.10 0.38 -0.00 0.00 -1.71 0.00 0.00 66.02 64.58 3d29 s SER 50 CO 0.01 -0.11 1.13 -1.10 1.20 0.00 0.00 173.24 174.37 3d29 s GLN 51 N -0.09 2.75 -0.08 5.44 -0.21 -0.48 -0.41 119.66 126.59 3d29 s GLN 51 Ca -0.02 1.51 -0.01 0.00 0.02 0.00 0.00 55.36 56.86 3d29 s GLN 51 Cb -0.02 -1.93 0.03 0.00 1.00 0.00 0.00 33.01 32.08 3d29 s GLN 51 CO 0.00 -1.31 -0.02 0.21 -2.12 0.00 0.00 175.29 172.05 3d29 s LYS 52 N -3.92 0.87 -0.38 2.91 2.20 0.45 -4.70 119.74 117.17 3d29 s LYS 52 Ca 0.70 -0.01 0.02 0.00 -0.36 0.00 0.00 55.97 56.31 3d29 s LYS 52 Cb -0.23 -1.11 0.12 0.00 -1.51 0.00 0.00 37.83 35.10 3d29 s LYS 52 CO 0.40 -0.26 0.16 0.15 -0.36 0.00 0.00 175.35 175.44 3d29 s LYS 53 N 1.75 1.18 -0.69 4.03 1.02 -1.26 -4.36 119.74 121.40 3d29 s LYS 53 Ca 0.02 -1.71 -0.10 0.00 0.02 0.00 0.00 55.97 54.21 3d29 s LYS 53 Cb -0.13 -2.45 0.18 0.00 -0.52 0.00 0.00 37.83 34.91 3d29 s LYS 53 CO -0.05 -1.06 0.58 0.08 -0.92 0.00 0.00 175.35 173.98 3d29 s VAL 54 N 0.84 4.80 -0.01 3.17 1.01 -1.26 -4.94 120.40 124.00 3d29 s VAL 54 Ca 0.14 -2.43 -0.21 0.00 0.00 0.00 0.00 61.98 59.47 3d29 s VAL 54 Cb -0.21 -4.04 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 3d29 s VAL 54 CO -0.10 -0.93 0.89 1.55 0.00 0.00 0.00 175.10 176.51 3d29 h PRO 55 N 7.75 -0.67 -6.75 2.72 0.13 -2.01 -3.45 132.00 129.72 3d29 h PRO 55 Ca -0.01 0.05 -0.57 0.00 -0.87 0.00 0.00 66.00 64.60 3d29 h PRO 55 Cb 1.02 0.15 0.11 0.00 0.13 0.00 0.00 31.00 32.41 3d29 h PRO 55 CO 0.78 -0.41 0.55 -3.47 -0.23 0.00 0.00 178.00 175.22 3d29 n ASP 56 N -5.24 2.87 0.11 1.44 -0.08 -1.26 -4.89 116.55 109.50 3d29 n ASP 56 Ca -0.09 1.20 0.12 0.00 -1.51 0.00 0.00 54.79 54.51 3d29 n ASP 56 Cb 0.29 -1.49 0.12 0.00 2.34 0.00 0.00 41.12 42.38 3d29 n ASP 56 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3d29 h LYS 57 N 2.78 0.00 0.00 -0.67 1.57 -2.05 -3.29 116.57 114.90 3d29 h LYS 57 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3d29 h LYS 57 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3d29 h LYS 57 CO 0.64 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.80 3d29 n LEU 58 N -2.54 0.00 -4.86 2.94 4.77 -1.26 -4.86 117.00 111.19 3d29 n LEU 58 Ca 0.02 0.42 -0.31 0.00 -0.03 0.00 0.00 56.01 56.11 3d29 n LEU 58 Cb 0.50 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3d29 n LEU 58 CO 0.37 -0.00 0.53 -0.76 -1.33 0.00 0.00 177.39 176.19 3d29 s LEU 59 N -2.83 3.75 -0.55 2.23 1.43 -1.24 -5.02 118.68 116.44 3d29 s LEU 59 Ca 0.20 1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 54.41 3d29 s LEU 59 Cb 0.19 -4.19 0.11 0.00 0.03 0.00 0.00 46.19 42.34 3d29 s LEU 59 CO 0.50 -0.47 0.56 -0.62 0.23 0.00 0.00 176.35 176.54 3d29 s ASP 60 N -3.16 6.19 0.53 2.29 3.68 -1.26 -4.93 116.67 120.01 3d29 s ASP 60 Ca 0.54 -1.60 0.40 0.00 2.13 0.00 0.00 52.55 54.01 3d29 s ASP 60 Cb -0.10 -2.24 1.58 0.00 -1.45 0.00 0.00 42.92 40.71 3d29 s ASP 60 CO 0.32 -0.92 1.72 -0.65 0.13 0.00 0.00 175.17 175.77 3d29 h PRO 61 N 8.98 0.02 0.00 4.34 0.11 -1.95 0.55 132.00 144.05 3d29 h PRO 61 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3d29 h PRO 61 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3d29 h PRO 61 CO 1.04 0.02 0.00 0.25 -0.21 0.00 0.00 178.00 179.10 3d29 n THR 62 N -4.16 0.78 0.53 -1.15 -2.24 -1.26 -2.66 114.28 104.12 3d29 n THR 62 Ca 0.32 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.36 3d29 n THR 62 Cb 1.47 -1.04 0.17 0.00 -2.10 0.00 0.00 70.33 68.84 3d29 n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d29 n THR 63 N -2.16 0.33 -3.67 4.28 -2.24 0.18 -4.88 114.28 106.13 3d29 n THR 63 Ca 0.03 -0.67 -0.38 0.00 -2.27 0.00 0.00 64.05 60.77 3d29 n THR 63 Cb 0.26 1.16 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 3d29 n THR 63 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3d29 s VAL 64 N -1.65 4.76 -0.09 2.28 1.01 -1.09 -5.06 120.40 120.56 3d29 s VAL 64 Ca 0.35 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.92 3d29 s VAL 64 Cb 0.22 -3.29 0.09 0.00 0.00 0.00 0.00 36.38 33.40 3d29 s VAL 64 CO 0.31 0.24 0.80 -0.55 0.00 0.00 0.00 175.10 175.90 3d29 s SER 65 N 1.67 -0.55 -0.12 3.32 0.15 -1.26 -5.02 113.70 111.88 3d29 s SER 65 Ca 0.06 0.61 0.16 0.00 0.70 0.00 0.00 55.95 57.48 3d29 s SER 65 Cb -0.16 0.46 0.28 0.00 -1.71 0.00 0.00 66.02 64.89 3d29 s SER 65 CO 0.07 -0.51 1.14 -1.22 1.20 0.00 0.00 173.24 173.92 3d29 n TYR 66 N 0.85 0.00 -5.08 3.44 4.02 -1.26 -4.99 117.16 114.14 3d29 n TYR 66 Ca -0.16 -0.94 -0.32 0.00 -0.01 0.00 0.00 57.90 56.47 3d29 n TYR 66 Cb 0.57 -0.15 -0.15 0.00 -0.02 0.00 0.00 39.34 39.59 3d29 n TYR 66 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3d29 s ILE 67 N -2.52 2.58 0.01 -0.72 1.01 -1.26 -0.79 121.20 119.51 3d29 s ILE 67 Ca 0.29 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 60.06 3d29 s ILE 67 Cb 0.26 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 3d29 s ILE 67 CO 0.01 0.58 -0.07 -0.36 0.00 0.00 0.00 174.94 175.10 3d29 s PHE 68 N -0.55 0.59 -0.55 3.97 0.08 0.26 -4.98 117.98 116.80 3d29 s PHE 68 Ca 0.08 -0.24 -0.18 0.00 0.12 0.00 0.00 56.93 56.71 3d29 s PHE 68 Cb -0.11 -0.37 0.10 0.00 -0.57 0.00 0.00 43.02 42.07 3d29 s PHE 68 CO 0.01 -0.03 0.60 0.00 -0.10 0.00 0.00 175.22 175.70 3d29 h ILE 70 N 5.89 1.65 -2.98 0.00 2.04 -1.40 -3.48 117.51 119.23 3d29 h ILE 70 Ca -0.29 -3.28 0.05 0.00 1.00 0.00 0.00 64.86 62.33 3d29 h ILE 70 Cb 1.09 2.86 -0.03 0.00 -0.74 0.00 0.00 36.82 40.00 3d29 h ILE 70 CO 1.04 0.94 0.25 -0.94 0.00 0.00 0.00 178.15 179.45 3d29 s SER 71 N -6.85 -0.17 0.42 1.72 1.04 -1.05 -4.53 113.70 104.28 3d29 s SER 71 Ca -0.01 -0.78 0.21 0.00 0.48 0.00 0.00 55.95 55.85 3d29 s SER 71 Cb 0.09 0.76 1.16 0.00 0.10 0.00 0.00 66.02 68.14 3d29 s SER 71 CO 0.84 -1.44 1.79 -0.09 0.98 0.00 0.00 173.24 175.31 3d29 h ARG 72 N 2.00 0.33 0.00 4.02 9.65 -1.93 -2.90 114.38 125.55 3d29 h ARG 72 Ca -0.23 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3d29 h ARG 72 Cb 1.25 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.75 3d29 h ARG 72 CO 0.29 0.22 -1.40 0.25 2.80 0.00 0.00 179.97 182.13 3d29 n THR 73 N -4.55 0.00 -4.02 0.20 -2.24 -1.26 -1.27 114.28 101.14 3d29 n THR 73 Ca 0.24 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 3d29 n THR 73 Cb 0.90 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 3d29 n THR 73 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3d29 s ILE 74 N -2.74 4.80 0.09 2.28 1.09 -1.09 -4.40 121.20 121.22 3d29 s ILE 74 Ca -0.03 -0.03 0.08 0.00 -1.10 0.00 0.00 60.65 59.56 3d29 s ILE 74 Cb 0.08 -3.15 -0.04 0.00 -1.06 0.00 0.00 42.46 38.29 3d29 s ILE 74 CO 0.51 0.47 -0.15 -0.83 -0.10 0.00 0.00 174.94 174.85 3d29 s GLY 75 N 0.26 1.71 -0.04 6.18 0.00 -0.35 -0.96 107.32 114.11 3d29 s GLY 75 Ca 0.04 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.49 3d29 s GLY 75 CO 0.00 -1.24 -0.03 -0.29 0.00 0.00 0.00 173.10 171.55 3d29 s MET 76 N -2.01 0.61 -0.09 2.90 1.75 0.92 -1.01 119.30 122.38 3d29 s MET 76 Ca 0.18 -0.03 0.01 0.00 -1.25 0.00 0.00 55.69 54.61 3d29 s MET 76 Cb -0.11 -0.69 -0.02 0.00 2.84 0.00 0.00 34.83 36.85 3d29 s MET 76 CO 0.10 -0.11 -0.11 0.54 -0.65 0.00 0.00 175.02 174.80 3d29 s VAL 77 N 0.97 3.33 -0.12 10.11 0.11 -0.16 0.92 120.40 135.55 3d29 s VAL 77 Ca -0.10 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 3d29 s VAL 77 Cb -0.14 -2.37 -0.00 0.00 -1.53 0.00 0.00 36.38 32.34 3d29 s VAL 77 CO -0.01 0.56 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.46 3d29 s VAL 78 N -0.33 2.54 -0.43 2.04 1.01 0.03 -1.00 120.40 124.26 3d29 s VAL 78 Ca 0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3d29 s VAL 78 Cb -0.13 -2.03 0.07 0.00 0.00 0.00 0.00 36.38 34.29 3d29 s VAL 78 CO 0.02 0.54 0.30 0.20 0.00 0.00 0.00 175.10 176.16 3d29 s ASN 79 N 0.48 5.85 0.00 3.32 -0.87 -0.35 -4.87 114.94 118.49 3d29 s ASN 79 Ca -0.12 -1.35 0.00 0.00 -1.57 0.00 0.00 52.86 49.82 3d29 s ASN 79 Cb -0.17 -2.07 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 3d29 s ASN 79 CO 0.05 -0.55 0.00 0.61 -2.57 0.00 0.00 177.10 174.64 3d29 n GLY 80 N 5.04 1.03 3.51 0.66 0.00 -1.17 -1.51 105.19 112.75 3d29 n GLY 80 Ca -0.11 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 3d29 n GLY 80 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d29 n PRO 81 N -1.31 0.69 0.01 1.61 -0.02 -1.26 -4.78 135.00 129.94 3d29 n PRO 81 Ca 0.00 0.26 -0.07 0.00 -2.02 0.00 0.00 63.50 61.67 3d29 n PRO 81 Cb 0.00 -1.79 0.11 0.00 -0.02 0.00 0.00 33.50 31.80 3d29 n PRO 81 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3d29 h ILE 82 N 0.53 1.30 -0.50 4.25 6.09 -1.97 -1.70 117.51 125.51 3d29 h ILE 82 Ca -0.45 -1.59 -0.04 0.00 -1.37 0.00 0.00 64.86 61.41 3d29 h ILE 82 Cb 1.39 1.59 -0.02 0.00 0.47 0.00 0.00 36.82 40.25 3d29 h ILE 82 CO 0.50 0.50 0.14 1.55 -3.07 0.00 0.00 178.15 177.76 3d29 h PRO 83 N 0.43 0.79 -0.45 2.19 0.13 -1.99 0.22 132.00 133.30 3d29 h PRO 83 Ca 0.03 -0.18 -0.09 0.00 -0.87 0.00 0.00 66.00 64.90 3d29 h PRO 83 Cb 0.91 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 3d29 h PRO 83 CO 0.08 0.75 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.08 3d29 h ASP 84 N 0.68 0.78 -0.33 1.44 3.45 -1.94 -1.75 116.42 118.75 3d29 h ASP 84 Ca 0.16 -0.22 0.04 0.00 0.43 0.00 0.00 57.03 57.44 3d29 h ASP 84 Cb 0.31 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 38.82 3d29 h ASP 84 CO -0.00 0.89 0.08 0.00 -1.57 0.00 0.00 179.24 178.64 3d29 h ALA 85 N 1.19 0.35 -0.10 3.45 0.00 -0.63 -1.40 119.26 122.13 3d29 h ALA 85 Ca 0.13 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3d29 h ALA 85 Cb 0.55 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3d29 h ALA 85 CO 0.03 -0.33 -0.45 0.00 0.00 0.00 0.00 179.25 178.51 3d29 h ARG 86 N 0.20 0.23 -0.37 0.00 3.08 -0.36 -1.24 114.38 115.92 3d29 h ARG 86 Ca 0.15 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 3d29 h ARG 86 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3d29 h ARG 86 CO -0.19 0.64 0.18 -0.97 -1.07 0.00 0.00 179.97 178.56 3d29 h ASN 87 N 0.19 0.47 -0.56 7.04 -0.00 -0.91 -0.69 115.58 121.13 3d29 h ASN 87 Ca 0.01 -0.12 -0.05 0.00 -0.00 0.00 0.00 56.30 56.15 3d29 h ASN 87 Cb 0.87 -0.12 -0.02 0.00 -0.00 0.00 0.00 38.32 39.04 3d29 h ASN 87 CO 0.07 0.46 0.16 0.00 -0.00 0.00 0.00 177.43 178.12 3d29 h ALA 88 N 1.04 0.73 -0.17 1.57 0.00 -0.97 -2.28 119.26 119.17 3d29 h ALA 88 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 88 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3d29 h ALA 88 CO -0.02 0.40 0.07 0.00 0.00 0.00 0.00 179.25 179.70 3d29 h ALA 89 N 1.03 0.22 -0.52 0.00 0.00 -1.00 -1.00 119.26 117.99 3d29 h ALA 89 Ca 0.18 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3d29 h ALA 89 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3d29 h ALA 89 CO -0.00 -0.18 0.28 1.25 0.00 0.00 0.00 179.25 180.60 3d29 h LEU 90 N 0.12 0.43 -0.15 0.00 5.85 -1.04 -1.00 115.31 119.52 3d29 h LEU 90 Ca 0.06 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3d29 h LEU 90 Cb 0.18 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3d29 h LEU 90 CO -0.00 0.30 0.08 -0.09 -0.34 0.00 0.00 178.44 178.38 3d29 h ARG 91 N 0.55 0.17 -0.62 1.25 9.65 -1.22 -1.34 114.38 122.83 3d29 h ARG 91 Ca 0.22 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.08 3d29 h ARG 91 Cb 0.10 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3d29 h ARG 91 CO -0.14 0.11 0.35 0.00 2.80 0.00 0.00 179.97 183.10 3d29 h ALA 92 N 1.06 1.46 -0.39 2.80 0.00 -0.78 0.21 119.26 123.63 3d29 h ALA 92 Ca 0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3d29 h ALA 92 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3d29 h ALA 92 CO -0.03 0.46 0.04 0.87 0.00 0.00 0.00 179.25 180.58 3d29 h LYS 93 N 0.85 0.66 -0.02 0.00 1.57 -0.81 0.88 116.57 119.70 3d29 h LYS 93 Ca 0.22 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3d29 h LYS 93 Cb -0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 3d29 h LYS 93 CO -0.04 0.73 0.01 0.00 -0.57 0.00 0.00 179.45 179.58 3d29 h ALA 94 N 0.90 0.02 -0.96 3.86 0.00 -0.62 -0.46 119.26 122.01 3d29 h ALA 94 Ca 0.11 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3d29 h ALA 94 Cb 0.41 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3d29 h ALA 94 CO 0.01 -0.46 0.63 0.93 0.00 0.00 0.00 179.25 180.36 3d29 h GLU 95 N -0.00 1.21 -0.58 0.00 4.39 -0.43 -1.48 114.58 117.69 3d29 h GLU 95 Ca 0.01 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 3d29 h GLU 95 Cb 0.03 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 3d29 h GLU 95 CO -0.00 0.80 0.06 0.00 -1.16 0.00 0.00 179.01 178.71 3d29 h ALA 96 N 1.38 0.78 -0.30 3.43 0.00 -0.42 -1.50 119.26 122.64 3d29 h ALA 96 Ca 0.37 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3d29 h ALA 96 Cb -0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3d29 h ALA 96 CO -0.11 0.56 -0.32 0.00 0.00 0.00 0.00 179.25 179.38 3d29 h ALA 97 N 1.00 0.44 -0.16 0.00 0.00 -0.81 -2.82 119.26 116.91 3d29 h ALA 97 Ca 0.17 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3d29 h ALA 97 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3d29 h ALA 97 CO 0.02 0.48 0.05 1.49 0.00 0.00 0.00 179.25 181.29 3d29 h GLU 98 N 0.50 0.25 -0.51 0.00 4.81 -1.24 -2.18 114.58 116.22 3d29 h GLU 98 Ca 0.04 -0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.31 3d29 h GLU 98 Cb 0.90 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 3d29 h GLU 98 CO 0.08 0.36 0.09 0.35 -0.73 0.00 0.00 179.01 179.16 3d29 h PHE 99 N 0.08 0.14 -1.01 0.92 3.04 -1.31 0.18 116.94 118.99 3d29 h PHE 99 Ca 0.05 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.04 3d29 h PHE 99 Cb 0.22 0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.69 3d29 h PHE 99 CO -0.00 -0.02 0.67 -0.09 -2.02 0.00 0.00 178.31 176.85 3d29 h ARG 100 N 0.22 1.32 -0.50 1.11 9.65 -1.31 0.43 114.38 125.30 3d29 h ARG 100 Ca 0.25 -0.08 -0.13 0.00 -1.10 0.00 0.00 59.98 58.93 3d29 h ARG 100 Cb 0.35 -0.30 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3d29 h ARG 100 CO -0.34 0.88 -0.20 -0.92 2.80 0.00 0.00 179.97 182.19 3d29 h TYR 101 N 1.36 1.16 0.19 2.20 3.20 -0.62 -1.75 116.97 122.71 3d29 h TYR 101 Ca 0.37 -0.27 -0.25 0.00 3.14 0.00 0.00 58.73 61.71 3d29 h TYR 101 Cb -0.16 -0.27 0.03 0.00 1.54 0.00 0.00 36.73 37.87 3d29 h TYR 101 CO -0.00 1.11 -1.13 0.87 -1.64 0.00 0.00 178.16 177.36 3d29 h LYS 102 N 0.88 0.40 -0.02 1.82 1.57 -0.66 -3.37 116.57 117.18 3d29 h LYS 102 Ca 0.12 -0.68 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3d29 h LYS 102 Cb 0.78 0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3d29 h LYS 102 CO 0.06 1.32 -0.22 0.66 -0.57 0.00 0.00 179.45 180.71 3d29 n TYR 103 N -3.94 0.00 -0.94 -1.35 4.01 0.11 -4.99 117.16 110.06 3d29 n TYR 103 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3d29 n TYR 103 Cb 0.95 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 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 1.38 0.73 3.17 2.72 0.00 -0.66 -5.00 105.19 107.53 3d29 n GLY 104 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 3d29 n GLY 104 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3d29 s TYR 105 N -3.09 0.36 0.27 1.61 -0.85 -1.25 -5.03 117.35 109.37 3d29 s TYR 105 Ca 0.00 -0.82 -0.30 0.00 -0.52 0.00 0.00 57.07 55.43 3d29 s TYR 105 Cb 0.00 -0.21 -0.11 0.00 0.38 0.00 0.00 41.96 42.03 3d29 s TYR 105 CO 0.00 -0.50 1.50 -0.51 -1.52 0.00 0.00 175.55 174.52 3d29 s ASP 106 N -2.91 6.53 0.15 -0.18 -0.00 -1.26 -3.99 116.67 115.02 3d29 s ASP 106 Ca 0.08 2.79 -0.31 0.00 -0.00 0.00 0.00 52.55 55.11 3d29 s ASP 106 Cb 0.06 -2.63 -0.10 0.00 -0.00 0.00 0.00 42.92 40.25 3d29 s ASP 106 CO -0.09 -0.79 1.64 -0.32 -0.00 0.00 0.00 175.17 175.62 3d29 s MET 107 N -0.46 4.19 0.49 8.23 -2.45 -1.26 -4.96 119.30 123.07 3d29 s MET 107 Ca 0.61 2.43 -0.21 0.00 -1.25 0.00 0.00 55.69 57.26 3d29 s MET 107 Cb -0.44 -3.26 -0.07 0.00 1.25 0.00 0.00 34.83 32.30 3d29 s MET 107 CO 0.46 -0.68 1.11 -2.14 1.05 0.00 0.00 175.02 174.81 3d29 s PRO 108 N 1.59 3.67 0.20 4.11 0.02 -1.26 -4.88 135.00 138.46 3d29 s PRO 108 Ca 0.73 1.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.23 3d29 s PRO 108 Cb -0.44 -2.22 0.25 0.00 0.02 0.00 0.00 34.50 32.11 3d29 s PRO 108 CO 0.32 -0.58 1.68 0.00 -0.33 0.00 0.00 177.00 178.09 3d29 h ASP 110 N 0.15 0.57 -0.34 0.00 -0.00 -1.95 -1.73 116.42 113.12 3d29 h ASP 110 Ca 0.29 -0.11 -0.08 0.00 -0.00 0.00 0.00 57.03 57.13 3d29 h ASP 110 Cb 0.45 -0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.62 3d29 h ASP 110 CO -0.46 0.63 -0.09 0.58 -0.00 0.00 0.00 179.24 179.91 3d29 h VAL 111 N 0.57 1.28 -0.76 4.15 2.07 -1.68 -1.20 116.25 120.69 3d29 h VAL 111 Ca 0.12 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 3d29 h VAL 111 Cb 0.35 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3d29 h VAL 111 CO 0.01 0.37 0.38 0.25 0.02 0.00 0.00 177.57 178.61 3d29 h LEU 112 N 0.44 0.96 0.12 2.57 5.85 -1.10 -0.91 115.31 123.24 3d29 h LEU 112 Ca 0.08 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3d29 h LEU 112 Cb 0.59 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3d29 h LEU 112 CO 0.03 0.80 -0.06 0.00 -0.34 0.00 0.00 178.44 178.87 3d29 h ALA 113 N 1.35 -0.16 -0.68 1.25 0.00 -1.09 -0.31 119.26 119.62 3d29 h ALA 113 Ca 0.26 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3d29 h ALA 113 Cb 0.08 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3d29 h ALA 113 CO -0.04 -0.57 0.35 -0.22 0.00 0.00 0.00 179.25 178.78 3d29 h LYS 114 N -0.21 0.61 -0.44 0.00 3.64 -0.82 0.40 116.57 119.74 3d29 h LYS 114 Ca -0.02 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3d29 h LYS 114 Cb 0.17 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3d29 h LYS 114 CO 0.03 0.40 0.19 -0.09 -2.27 0.00 0.00 179.45 177.71 3d29 h ARG 115 N 0.63 0.66 -0.35 1.90 9.65 -0.91 0.29 114.38 126.25 3d29 h ARG 115 Ca 0.32 -0.11 -0.12 0.00 -1.10 0.00 0.00 59.98 58.96 3d29 h ARG 115 Cb 0.27 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3d29 h ARG 115 CO -0.23 0.59 -0.29 0.52 2.80 0.00 0.00 179.97 183.36 3d29 h MET 116 N 0.58 0.73 -0.43 0.20 2.86 -0.52 -1.55 114.93 116.80 3d29 h MET 116 Ca 0.15 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 3d29 h MET 116 Cb 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3d29 h MET 116 CO -0.01 0.93 0.20 0.00 1.06 0.00 0.00 176.91 179.09 3d29 h ALA 117 N 1.05 0.55 -0.89 6.32 0.00 0.22 -1.24 119.26 125.27 3d29 h ALA 117 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3d29 h ALA 117 Cb 0.81 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3d29 h ALA 117 CO 0.07 0.12 0.50 -0.91 0.00 0.00 0.00 179.25 179.02 3d29 h ASN 118 N 0.55 1.11 -0.71 0.00 -0.26 -0.20 0.25 115.58 116.33 3d29 h ASN 118 Ca 0.15 -0.10 0.03 0.00 -0.56 0.00 0.00 56.30 55.82 3d29 h ASN 118 Cb 0.13 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.06 3d29 h ASN 118 CO -0.02 0.89 0.45 -0.07 -1.06 0.00 0.00 177.43 177.62 3d29 h LEU 119 N 1.25 0.75 -0.68 1.61 4.07 -0.87 -1.75 115.31 119.68 3d29 h LEU 119 Ca 0.32 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.17 3d29 h LEU 119 Cb 0.02 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 3d29 h LEU 119 CO -0.05 0.53 -0.06 0.28 -1.08 0.00 0.00 178.44 178.06 3d29 h SER 120 N 0.89 0.95 -0.97 -0.43 0.02 -0.54 -2.47 113.55 111.00 3d29 h SER 120 Ca 0.28 -0.28 0.14 0.00 -0.84 0.00 0.00 61.79 61.09 3d29 h SER 120 Cb -0.01 -0.26 -0.08 0.00 0.14 0.00 0.00 62.40 62.19 3d29 h SER 120 CO -0.10 1.04 0.61 -0.61 -1.14 0.00 0.00 176.83 176.63 3d29 h GLN 121 N 0.87 0.84 -0.82 3.45 -0.00 -0.11 -0.97 115.11 118.37 3d29 h GLN 121 Ca 0.15 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.72 3d29 h GLN 121 Cb 0.59 -0.19 -0.04 0.00 0.00 0.00 0.00 27.48 27.84 3d29 h GLN 121 CO 0.04 0.56 0.39 0.82 0.00 0.00 0.00 178.83 180.63 3d29 h ILE 122 N 0.87 1.25 0.00 2.39 2.04 -0.92 -1.06 117.51 122.08 3d29 h ILE 122 Ca 0.50 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3d29 h ILE 122 Cb 0.63 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 3d29 h ILE 122 CO -0.27 0.30 0.00 -1.22 0.00 0.00 0.00 178.15 176.97 3d29 n TYR 123 N -4.31 0.00 0.06 1.37 4.01 -0.39 -0.72 117.16 117.18 3d29 n TYR 123 Ca 0.08 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.85 3d29 n TYR 123 Cb 0.14 -0.50 -0.05 0.00 -0.31 0.00 0.00 39.34 38.63 3d29 n TYR 123 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3d29 h THR 124 N 0.00 0.40 0.00 -0.72 2.02 -0.94 -3.39 112.91 110.27 3d29 h THR 124 Ca 0.00 -1.75 -0.25 0.00 0.77 0.00 0.00 66.41 65.18 3d29 h THR 124 Cb 0.24 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 3d29 h THR 124 CO 0.00 0.23 -1.96 1.67 0.37 0.00 0.00 175.52 175.83 3d29 n GLN 125 N -2.87 1.39 -3.41 6.66 7.27 -0.42 -4.77 117.38 121.23 3d29 n GLN 125 Ca -0.06 0.02 -0.38 0.00 0.07 0.00 0.00 57.00 56.66 3d29 n GLN 125 Cb 0.75 -1.35 -0.06 0.00 2.41 0.00 0.00 30.24 31.99 3d29 n GLN 125 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3d29 s ARG 126 N -2.34 4.13 0.18 3.69 0.52 0.10 -4.97 118.95 120.26 3d29 s ARG 126 Ca -0.12 0.44 -0.06 0.00 -0.52 0.00 0.00 55.73 55.47 3d29 s ARG 126 Cb 0.05 -3.32 0.07 0.00 0.52 0.00 0.00 34.95 32.26 3d29 s ARG 126 CO 0.52 0.45 1.51 0.00 0.02 0.00 0.00 175.30 177.80 3d29 h ALA 127 N 5.60 0.68 0.00 2.13 0.00 -1.88 -3.27 119.26 122.52 3d29 h ALA 127 Ca -0.47 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3d29 h ALA 127 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3d29 h ALA 127 CO 0.68 0.67 0.00 2.48 0.00 0.00 0.00 179.25 183.08 3d29 n TYR 128 N -4.02 0.16 -3.99 0.00 0.18 -1.26 -4.69 117.16 103.54 3d29 n TYR 128 Ca -0.02 0.05 -0.34 0.00 1.88 0.00 0.00 57.90 59.46 3d29 n TYR 128 Cb 0.56 -0.58 -0.10 0.00 -0.38 0.00 0.00 39.34 38.84 3d29 n TYR 128 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 3d29 s MET 129 N -3.04 3.99 0.17 -3.48 -1.94 -1.24 -5.10 119.30 108.67 3d29 s MET 129 Ca 0.10 -0.33 -0.06 0.00 -1.71 0.00 0.00 55.69 53.69 3d29 s MET 129 Cb 0.14 -3.23 -0.06 0.00 2.01 0.00 0.00 34.83 33.69 3d29 s MET 129 CO 0.43 0.28 0.42 -0.98 -0.01 0.00 0.00 175.02 175.16 3d29 s ARG 130 N 0.36 3.66 0.83 2.03 1.70 -1.26 -4.72 118.95 121.54 3d29 s ARG 130 Ca 0.03 -0.01 -0.11 0.00 -0.47 0.00 0.00 55.73 55.17 3d29 s ARG 130 Cb -0.12 -2.79 0.09 0.00 -0.57 0.00 0.00 34.95 31.55 3d29 s ARG 130 CO -0.00 0.42 1.09 -2.14 -1.08 0.00 0.00 175.30 173.59 3d29 s PRO 131 N -2.75 1.81 -0.08 3.89 0.02 -1.26 -4.91 135.00 131.72 3d29 s PRO 131 Ca 0.42 1.07 -0.16 0.00 0.02 0.00 0.00 61.00 62.36 3d29 s PRO 131 Cb -0.12 -1.85 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 3d29 s PRO 131 CO 0.24 -1.93 0.41 -0.51 -0.33 0.00 0.00 177.00 174.89 3d29 s LEU 132 N -6.08 4.34 -1.29 -5.54 1.43 -1.26 -4.96 118.68 105.32 3d29 s LEU 132 Ca 0.62 0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 54.44 3d29 s LEU 132 Cb -0.18 -2.59 -0.11 0.00 0.03 0.00 0.00 46.19 43.34 3d29 s LEU 132 CO 0.57 0.14 2.94 0.61 0.23 0.00 0.00 176.35 180.83 3d29 n GLY 133 N 2.78 3.90 3.13 -3.19 0.00 -1.26 -4.52 105.19 106.02 3d29 n GLY 133 Ca -0.10 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 2.15 0.12 -0.12 1.61 -7.23 -1.26 -3.59 120.40 112.09 3d29 s VAL 134 Ca 0.65 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.84 3d29 s VAL 134 Cb 0.19 -0.86 -0.00 0.00 0.56 0.00 0.00 36.38 36.27 3d29 s VAL 134 CO -0.05 -0.55 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.36 3d29 s ILE 135 N -2.50 2.37 -0.17 -0.62 1.01 -0.57 -3.79 121.20 116.95 3d29 s ILE 135 Ca -0.06 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 3d29 s ILE 135 Cb -0.02 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 3d29 s ILE 135 CO -0.04 0.55 -0.04 -0.76 0.00 0.00 0.00 174.94 174.65 3d29 s LEU 136 N 0.43 3.18 -0.26 2.97 1.43 0.05 -1.21 118.68 125.28 3d29 s LEU 136 Ca -0.14 -0.18 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3d29 s LEU 136 Cb -0.17 -1.78 0.02 0.00 0.03 0.00 0.00 46.19 44.29 3d29 s LEU 136 CO 0.06 0.13 -0.03 -0.89 0.23 0.00 0.00 176.35 175.85 3d29 s THR 137 N 0.60 3.11 -0.11 5.49 2.01 -0.17 -0.42 115.64 126.15 3d29 s THR 137 Ca -0.03 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 3d29 s THR 137 Cb -0.14 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 3d29 s THR 137 CO 0.02 0.19 0.07 -0.36 -0.69 0.00 0.00 174.62 173.85 3d29 s PHE 138 N 1.37 3.37 0.03 4.92 0.40 0.11 -0.99 117.98 127.19 3d29 s PHE 138 Ca 0.01 0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 56.67 3d29 s PHE 138 Cb -0.17 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.45 3d29 s PHE 138 CO -0.03 0.55 -0.03 0.14 0.70 0.00 0.00 175.22 176.56 3d29 s VAL 139 N -0.80 0.15 -0.04 -0.44 -7.23 -0.18 -1.22 120.40 110.64 3d29 s VAL 139 Ca 0.13 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 58.78 3d29 s VAL 139 Cb -0.12 -0.71 0.10 0.00 0.56 0.00 0.00 36.38 36.22 3d29 s VAL 139 CO 0.03 -0.67 1.31 -0.94 -0.31 0.00 0.00 175.10 174.52 3d29 s SER 140 N -1.97 -0.00 -0.55 4.85 1.04 -1.07 -1.21 113.70 114.79 3d29 s SER 140 Ca -0.08 -0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.24 3d29 s SER 140 Cb -0.04 0.11 0.14 0.00 0.10 0.00 0.00 66.02 66.33 3d29 s SER 140 CO -0.04 -0.22 0.30 -0.69 0.98 0.00 0.00 173.24 173.56 3d29 s VAL 141 N -2.05 2.71 0.41 5.02 1.01 -1.26 -0.20 120.40 126.04 3d29 s VAL 141 Ca 0.28 -3.39 -0.26 0.00 0.00 0.00 0.00 61.98 58.60 3d29 s VAL 141 Cb 0.01 -2.86 -0.10 0.00 0.00 0.00 0.00 36.38 33.43 3d29 s VAL 141 CO -0.02 -0.83 1.36 -0.67 0.00 0.00 0.00 175.10 174.95 3d29 n ASP 142 N 3.02 3.03 0.28 3.32 2.03 -0.16 -4.60 116.55 123.47 3d29 n ASP 142 Ca 0.07 1.15 0.17 0.00 0.52 0.00 0.00 54.79 56.69 3d29 n ASP 142 Cb 0.33 -1.55 0.76 0.00 -0.72 0.00 0.00 41.12 39.94 3d29 n ASP 142 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3d29 h GLU 143 N 2.37 0.00 0.00 -0.67 4.11 -1.98 -0.69 114.58 117.71 3d29 h GLU 143 Ca -0.49 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 58.69 3d29 h GLU 143 Cb 1.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 3d29 h GLU 143 CO 0.61 0.05 -1.93 0.39 0.07 0.00 0.00 179.01 178.20 3d29 n GLU 14 N -3.23 1.31 -0.00 1.06 1.02 -1.26 -4.74 120.64 114.81 3d29 n GLU 14 Ca -0.01 0.03 0.09 0.00 -0.02 0.00 0.00 57.16 57.25 3d29 n GLU 14 Cb 0.27 -1.34 -0.10 0.00 -0.02 0.00 0.00 31.44 30.24 3d29 n GLU 14 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3d29 n LEU 144 N -2.68 0.79 0.00 -4.62 4.77 -1.22 -5.11 117.00 108.94 3d29 n LEU 144 Ca -0.25 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 3d29 n LEU 144 Cb 0.89 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 3d29 n LEU 144 CO 0.24 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3d29 n GLY 145 N 1.42 -1.51 3.58 -0.72 0.00 -0.27 -4.84 105.19 102.86 3d29 n GLY 145 Ca 0.03 -1.31 -0.50 0.00 0.00 0.00 0.00 46.02 44.24 3d29 n GLY 145 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d29 n PRO 146 N -0.02 1.17 -3.95 1.61 -0.02 -1.26 -0.98 135.00 131.55 3d29 n PRO 146 Ca 0.00 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 3d29 n PRO 146 Cb 0.00 -1.97 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 3d29 n PRO 146 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3d29 s SER 147 N 0.16 0.23 -0.12 2.55 0.01 0.72 -4.86 113.70 112.39 3d29 s SER 147 Ca 0.77 -0.03 -0.00 0.00 1.31 0.00 0.00 55.95 58.00 3d29 s SER 147 Cb -0.88 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 65.32 3d29 s SER 147 CO 0.50 -0.01 -0.10 -0.63 0.41 0.00 0.00 173.24 173.42 3d29 s ILE 148 N 0.21 1.19 -0.04 1.44 -1.09 -1.26 -2.59 121.20 119.06 3d29 s ILE 148 Ca -0.02 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 3d29 s ILE 148 Cb -0.04 -1.17 0.03 0.00 -1.58 0.00 0.00 42.46 39.70 3d29 s ILE 148 CO -0.01 0.39 -0.00 -0.31 -1.23 0.00 0.00 174.94 173.78 3d29 s TYR 149 N 1.62 0.46 -0.01 3.97 2.02 -0.36 -1.36 117.35 123.70 3d29 s TYR 149 Ca 0.05 -0.06 0.07 0.00 -0.37 0.00 0.00 57.07 56.75 3d29 s TYR 149 Cb -0.13 -0.55 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 3d29 s TYR 149 CO -0.09 -0.19 -0.22 0.21 -1.57 0.00 0.00 175.55 173.70 3d29 s LYS 150 N 1.27 1.72 0.05 -0.62 2.20 -1.10 0.09 119.74 123.35 3d29 s LYS 150 Ca -0.06 -0.79 0.07 0.00 -0.36 0.00 0.00 55.97 54.83 3d29 s LYS 150 Cb -0.13 -1.68 -0.03 0.00 -1.51 0.00 0.00 37.83 34.48 3d29 s LYS 150 CO -0.02 0.46 -0.20 0.95 -0.36 0.00 0.00 175.35 176.18 3d29 s THR 151 N -0.53 1.61 0.46 3.43 -4.23 0.44 -3.09 115.64 113.73 3d29 s THR 151 Ca 0.08 -1.19 0.05 0.00 -1.18 0.00 0.00 61.69 59.45 3d29 s THR 151 Cb -0.08 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.31 3d29 s THR 151 CO -0.01 0.18 0.07 1.51 -0.54 0.00 0.00 174.62 175.83 3d29 s ASP 152 N -1.20 4.14 0.00 3.99 1.47 -0.97 -0.77 116.67 123.32 3d29 s ASP 152 Ca 0.07 -1.42 0.06 0.00 1.18 0.00 0.00 52.55 52.45 3d29 s ASP 152 Cb -0.09 0.01 0.37 0.00 -0.34 0.00 0.00 42.92 42.87 3d29 s ASP 152 CO 0.02 -0.68 0.91 -2.65 0.68 0.00 0.00 175.17 173.45 3d29 n PRO 153 N -1.20 0.17 0.00 2.11 -0.02 -1.25 -1.52 135.00 133.29 3d29 n PRO 153 Ca -0.09 0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.57 3d29 n PRO 153 Cb 0.66 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.74 3d29 n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d29 n ALA 154 N -1.08 3.54 -0.73 3.55 0.00 -1.26 -4.85 120.51 119.67 3d29 n ALA 154 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.91 3d29 n ALA 154 Cb 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3d29 n ALA 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d29 n GLY 155 N 1.41 0.56 3.91 0.00 0.00 -0.58 -4.60 105.19 105.89 3d29 n GLY 155 Ca 0.09 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 3d29 n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d29 s TYR 156 N -2.00 3.49 -0.01 1.61 6.14 -1.26 -4.66 117.35 120.67 3d29 s TYR 156 Ca 0.00 0.42 -0.29 0.00 0.64 0.00 0.00 57.07 57.84 3d29 s TYR 156 Cb 0.00 -1.90 0.08 0.00 0.42 0.00 0.00 41.96 40.56 3d29 s TYR 156 CO 0.00 0.49 0.72 1.52 0.64 0.00 0.00 175.55 178.92 3d29 s TYR 157 N -1.62 -0.57 0.19 4.97 1.13 -1.26 -2.30 117.35 117.89 3d29 s TYR 157 Ca 0.38 0.80 -0.23 0.00 -1.41 0.00 0.00 57.07 56.62 3d29 s TYR 157 Cb -0.12 0.46 0.06 0.00 -1.10 0.00 0.00 41.96 41.25 3d29 s TYR 157 CO 0.26 -0.63 0.67 0.54 -2.51 0.00 0.00 175.55 173.89 3d29 s VAL 158 N -1.94 0.00 0.23 -3.49 0.11 -1.18 -5.00 120.40 109.13 3d29 s VAL 158 Ca -0.06 -0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 58.55 3d29 s VAL 158 Cb -0.00 -1.36 -0.07 0.00 -1.53 0.00 0.00 36.38 33.41 3d29 s VAL 158 CO 0.02 0.00 0.54 -0.83 -3.33 0.00 0.00 175.10 171.50 3d29 s GLY 159 N -2.79 2.28 0.15 6.54 0.00 -1.26 -2.71 107.32 109.53 3d29 s GLY 159 Ca 0.05 -0.28 0.06 0.00 0.00 0.00 0.00 44.72 44.55 3d29 s GLY 159 CO -0.06 -0.13 -0.13 -0.19 0.00 0.00 0.00 173.10 172.59 3d29 s TYR 160 N -1.81 1.41 0.08 1.90 1.51 -0.46 -5.00 117.35 114.99 3d29 s TYR 160 Ca 0.47 -0.63 -0.07 0.00 -1.01 0.00 0.00 57.07 55.83 3d29 s TYR 160 Cb -0.11 -0.71 -0.25 0.00 -0.11 0.00 0.00 41.96 40.78 3d29 s TYR 160 CO 0.21 0.17 1.16 0.87 -1.11 0.00 0.00 175.55 176.84 3d29 h LYS 161 N 3.06 0.39 -2.40 -0.62 1.57 -1.89 -3.38 116.57 113.30 3d29 h LYS 161 Ca -0.38 -0.57 0.13 0.00 -1.87 0.00 0.00 60.65 57.96 3d29 h LYS 161 Cb 1.20 0.20 -0.11 0.00 0.08 0.00 0.00 32.23 33.60 3d29 h LYS 161 CO 0.57 1.24 0.46 0.00 -0.57 0.00 0.00 179.45 181.15 3d29 s ALA 162 N -2.84 -1.69 0.14 3.86 0.00 -1.26 -3.47 121.76 116.50 3d29 s ALA 162 Ca -0.06 0.45 -0.25 0.00 0.00 0.00 0.00 51.96 52.11 3d29 s ALA 162 Cb 0.07 0.59 0.07 0.00 0.00 0.00 0.00 23.12 23.84 3d29 s ALA 162 CO 0.90 -0.90 0.79 -0.08 0.00 0.00 0.00 175.76 176.47 3d29 s THR 163 N -3.29 0.00 0.03 0.00 -1.32 -0.52 -4.97 115.64 105.58 3d29 s THR 163 Ca 0.09 -0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 60.16 3d29 s THR 163 Cb -0.01 -1.45 -0.02 0.00 -1.51 0.00 0.00 72.50 69.51 3d29 s THR 163 CO -0.03 0.00 0.05 0.00 -2.21 0.00 0.00 174.62 172.43 3d29 s ALA 164 N -3.51 0.06 -0.11 11.08 0.00 -1.26 -0.26 121.76 127.77 3d29 s ALA 164 Ca 0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 3d29 s ALA 164 Cb -0.02 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3d29 s ALA 164 CO -0.04 -0.28 0.34 0.99 0.00 0.00 0.00 175.76 176.77 3d29 s THR 165 N -2.47 0.01 -3.45 0.00 2.01 0.48 -4.92 115.64 107.31 3d29 s THR 165 Ca -0.06 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.85 3d29 s THR 165 Cb -0.02 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.98 3d29 s THR 165 CO -0.04 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 3d29 n GLY 166 N 2.59 0.91 0.37 4.40 0.00 -1.26 -0.39 105.19 111.81 3d29 n GLY 166 Ca -0.15 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 43.95 3d29 n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3d29 h PRO 167 N 7.37 0.65 -0.85 1.61 0.11 -1.89 -2.21 132.00 136.78 3d29 h PRO 167 Ca 0.00 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.48 3d29 h PRO 167 Cb 0.00 -0.15 -0.35 0.00 0.11 0.00 0.00 31.00 30.61 3d29 h PRO 167 CO 0.00 0.43 -0.01 1.63 -0.21 0.00 0.00 178.00 179.84 3d29 n LYS 168 N -4.59 3.12 -0.13 1.05 5.02 -1.26 -4.74 118.16 116.62 3d29 n LYS 168 Ca 0.19 -3.73 -0.05 0.00 -2.02 0.00 0.00 58.31 52.71 3d29 n LYS 168 Cb 0.53 -2.27 0.04 0.00 -0.02 0.00 0.00 35.03 33.31 3d29 n LYS 168 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3d29 h GLN 169 N 2.04 0.29 -0.87 1.97 -0.00 -1.70 -2.85 115.11 113.99 3d29 h GLN 169 Ca 0.48 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 59.17 3d29 h GLN 169 Cb 1.23 -0.06 -0.06 0.00 0.00 0.00 0.00 27.48 28.58 3d29 h GLN 169 CO 1.13 0.19 0.55 0.37 0.00 0.00 0.00 178.83 181.07 3d29 h GLN 170 N 0.30 0.98 -0.09 1.69 5.75 -1.85 0.02 115.11 121.91 3d29 h GLN 170 Ca 0.20 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3d29 h GLN 170 Cb 0.19 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.52 3d29 h GLN 170 CO -0.21 0.65 0.05 0.93 -2.65 0.00 0.00 178.83 177.60 3d29 h GLU 171 N 1.01 0.12 -0.33 1.69 3.07 -1.86 -1.72 114.58 116.57 3d29 h GLU 171 Ca 0.38 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 59.12 3d29 h GLU 171 Cb 0.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3d29 h GLU 171 CO -0.16 0.12 -0.23 0.82 -1.40 0.00 0.00 179.01 178.15 3d29 h ILE 172 N 0.09 1.27 0.31 3.13 2.04 -1.37 -2.44 117.51 120.54 3d29 h ILE 172 Ca 0.03 -1.30 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 3d29 h ILE 172 Cb 0.03 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3d29 h ILE 172 CO -0.01 0.43 -0.15 0.74 0.00 0.00 0.00 178.15 179.16 3d29 h THR 173 N 0.56 0.71 -0.94 -0.27 2.02 -0.76 -1.85 112.91 112.37 3d29 h THR 173 Ca 0.08 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 66.88 3d29 h THR 173 Cb 0.70 0.94 -0.06 0.00 -1.74 0.00 0.00 68.15 67.99 3d29 h THR 173 CO 0.05 0.09 0.60 0.71 0.37 0.00 0.00 175.52 177.34 3d29 h THR 174 N -0.66 1.10 -0.01 3.16 1.35 -1.34 0.31 112.91 116.81 3d29 h THR 174 Ca -0.04 -0.39 0.03 0.00 -0.55 0.00 0.00 66.41 65.46 3d29 h THR 174 Cb 0.47 -0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 66.72 3d29 h THR 174 CO 0.07 0.21 -0.20 -1.13 -0.25 0.00 0.00 175.52 174.22 3d29 h ASN 175 N 1.12 -0.59 -0.46 5.36 -0.73 -1.34 0.29 115.58 119.23 3d29 h ASN 175 Ca 0.40 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.65 3d29 h ASN 175 Cb 0.11 0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 3d29 h ASN 175 CO -0.16 -0.27 0.26 -0.07 -0.37 0.00 0.00 177.43 176.83 3d29 h LEU 176 N -0.32 0.56 -0.40 0.34 3.38 -0.57 -2.05 115.31 116.26 3d29 h LEU 176 Ca 0.06 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3d29 h LEU 176 Cb 0.40 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 3d29 h LEU 176 CO -0.20 0.48 -0.21 -0.33 0.09 0.00 0.00 178.44 178.27 3d29 h GLU 177 N 0.60 -0.13 -0.36 1.13 5.08 0.14 -1.23 114.58 119.80 3d29 h GLU 177 Ca 0.16 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3d29 h GLU 177 Cb 0.03 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3d29 h GLU 177 CO -0.03 -0.09 0.13 -0.91 -1.00 0.00 0.00 179.01 177.11 3d29 h ASN 178 N -0.14 0.14 -0.87 1.42 -0.26 -0.62 -1.97 115.58 113.28 3d29 h ASN 178 Ca 0.19 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 56.04 3d29 h ASN 178 Cb 0.44 0.02 -0.06 0.00 -1.06 0.00 0.00 38.32 37.67 3d29 h ASN 178 CO -0.48 0.12 0.57 -0.74 -1.06 0.00 0.00 177.43 175.83 3d29 h HIS 179 N 0.28 0.99 0.00 1.19 2.76 -0.61 -1.88 115.15 117.89 3d29 h HIS 179 Ca 0.16 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 3d29 h HIS 179 Cb 0.14 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 3d29 h HIS 179 CO -0.14 0.52 -0.00 1.19 -1.30 0.00 0.00 177.93 178.20 3d29 n PHE 17 N -4.49 0.00 0.00 5.26 3.72 -0.55 -0.96 117.46 120.44 3d29 n PHE 17 Ca 0.13 -0.77 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 3d29 n PHE 17 Cb 0.21 -0.45 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 3d29 n PHE 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3d29 n LYS 17 N 1.62 0.00 0.28 -1.08 4.81 -0.71 -0.47 118.16 122.61 3d29 n LYS 17 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.60 3d29 n LYS 17 Cb 0.39 0.00 0.89 0.00 0.02 0.00 0.00 35.03 36.33 3d29 n LYS 17 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3d29 h SER 17 N 0.00 0.00 0.00 3.14 4.64 -1.32 -3.45 113.55 116.56 3d29 h SER 17 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d29 h SER 17 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3d29 h SER 17 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3d29 n LYS 17 N -3.85 -0.17 -4.31 4.77 5.02 0.38 -4.97 118.16 115.04 3d29 n LYS 17 Ca -0.02 0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 56.04 3d29 n LYS 17 Cb 0.14 -3.77 -0.10 0.00 -0.02 0.00 0.00 35.03 31.28 3d29 n LYS 17 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3d29 s ILE 18 N -2.09 3.02 -0.41 -0.18 -4.36 -1.26 -5.04 121.20 110.89 3d29 s ILE 18 Ca 0.00 -1.65 0.04 0.00 -0.26 0.00 0.00 60.65 58.78 3d29 s ILE 18 Cb 0.00 -2.46 0.35 0.00 1.25 0.00 0.00 42.46 41.60 3d29 s ILE 18 CO 0.00 -0.05 1.28 -0.90 0.24 0.00 0.00 174.94 175.51 3d29 n ASP 18 N 0.28 3.32 -3.80 4.36 5.75 -1.26 -4.84 116.55 120.36 3d29 n ASP 18 Ca -0.12 -2.62 -0.05 0.00 -0.01 0.00 0.00 54.79 51.99 3d29 n ASP 18 Cb 0.55 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 39.99 3d29 n ASP 18 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3d29 s HIS 18 N -1.70 -0.16 -0.55 2.11 -3.43 -1.26 -4.80 115.29 105.50 3d29 s HIS 18 Ca 0.27 -0.23 -0.24 0.00 -0.80 0.00 0.00 55.06 54.05 3d29 s HIS 18 Cb 0.22 0.68 0.04 0.00 -1.43 0.00 0.00 32.58 32.09 3d29 s HIS 18 CO 0.06 -1.05 0.93 0.42 -2.00 0.00 0.00 174.74 173.11 3d29 s ILE 18 N -3.59 4.41 -0.30 -5.38 -1.09 0.76 -5.01 121.20 111.00 3d29 s ILE 18 Ca 0.12 0.22 -0.28 0.00 -2.23 0.00 0.00 60.65 58.47 3d29 s ILE 18 Cb -0.04 -4.53 -0.03 0.00 -1.58 0.00 0.00 42.46 36.28 3d29 s ILE 18 CO 0.05 -1.11 1.89 0.21 -1.23 0.00 0.00 174.94 174.75 3d29 s ASN 184 N 2.87 5.80 0.00 3.58 3.04 -1.26 -3.05 114.94 125.91 3d29 s ASN 184 Ca 0.29 1.44 0.00 0.00 0.04 0.00 0.00 52.86 54.63 3d29 s ASN 184 Cb -0.13 -2.52 0.00 0.00 -1.54 0.00 0.00 41.25 37.06 3d29 s ASN 184 CO 0.18 -1.76 0.00 -0.62 -3.04 0.00 0.00 177.10 171.86 3d29 n GLU 18 N 8.50 0.00 -3.30 0.43 4.71 -1.26 -4.99 120.64 124.73 3d29 n GLU 18 Ca 0.24 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 57.06 3d29 n GLU 18 Cb 0.46 -0.52 -0.06 0.00 -1.01 0.00 0.00 31.44 30.32 3d29 n GLU 18 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3d29 s SER 18 N -4.36 6.77 0.37 1.62 1.04 -1.26 -4.79 113.70 113.09 3d29 s SER 18 Ca 0.00 1.11 0.19 0.00 0.48 0.00 0.00 55.95 57.72 3d29 s SER 18 Cb 0.00 -2.30 0.61 0.00 0.10 0.00 0.00 66.02 64.43 3d29 s SER 18 CO 0.00 -0.03 1.70 4.11 0.98 0.00 0.00 173.24 180.00 3d29 h TRP 186 N 2.93 0.00 -0.36 5.02 5.08 -1.99 -3.03 115.95 123.61 3d29 h TRP 186 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 3d29 h TRP 186 Cb 1.18 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.32 3d29 h TRP 186 CO 0.63 0.38 0.23 0.93 -1.28 0.00 0.00 178.44 179.34 3d29 h GLU 187 N 0.00 0.46 -0.08 0.12 3.07 -1.99 0.34 114.58 116.51 3d29 h GLU 187 Ca -0.00 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.77 3d29 h GLU 187 Cb 0.95 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 3d29 h GLU 187 CO 0.05 0.31 -0.23 0.87 -1.40 0.00 0.00 179.01 178.61 3d29 h LYS 188 N 0.48 0.13 -0.00 2.33 1.79 -1.96 0.15 116.57 119.49 3d29 h LYS 188 Ca 0.13 -0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.36 3d29 h LYS 188 Cb -0.05 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.57 3d29 h LYS 188 CO -0.03 0.36 -0.88 0.28 -1.08 0.00 0.00 179.45 178.11 3d29 h VAL 189 N 0.12 1.47 -0.53 0.50 2.07 -1.23 -0.94 116.25 117.72 3d29 h VAL 189 Ca 0.02 -2.57 -0.08 0.00 0.82 0.00 0.00 66.70 64.90 3d29 h VAL 189 Cb 0.48 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3d29 h VAL 189 CO 0.03 0.75 0.04 0.58 0.02 0.00 0.00 177.57 178.99 3d29 h VAL 190 N 0.13 1.26 -0.67 2.57 2.07 0.20 -1.37 116.25 120.45 3d29 h VAL 190 Ca -0.05 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3d29 h VAL 190 Cb 1.50 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 3d29 h VAL 190 CO 0.14 0.37 0.22 -0.33 0.02 0.00 0.00 177.57 177.99 3d29 h GLU 191 N 0.79 1.01 -0.24 1.57 5.08 -0.85 -0.80 114.58 121.13 3d29 h GLU 191 Ca 0.16 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3d29 h GLU 191 Cb 0.48 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3d29 h GLU 191 CO 0.02 0.85 0.12 0.35 -1.00 0.00 0.00 179.01 179.35 3d29 h PHE 192 N 0.98 0.35 -0.01 4.33 3.04 -0.80 0.01 116.94 124.83 3d29 h PHE 192 Ca 0.22 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.17 3d29 h PHE 192 Cb 0.25 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 3d29 h PHE 192 CO 0.02 0.34 -0.07 0.00 -2.02 0.00 0.00 178.31 176.57 3d29 h ALA 193 N 0.98 -0.07 -0.57 2.41 0.00 -0.87 -1.61 119.26 119.53 3d29 h ALA 193 Ca 0.08 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3d29 h ALA 193 Cb 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3d29 h ALA 193 CO -0.01 -0.56 0.02 0.82 0.00 0.00 0.00 179.25 179.52 3d29 h ILE 194 N -0.12 1.26 0.35 0.00 2.04 -1.06 -1.29 117.51 118.68 3d29 h ILE 194 Ca 0.03 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 3d29 h ILE 194 Cb 0.17 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3d29 h ILE 194 CO -0.08 0.39 -0.37 0.74 0.00 0.00 0.00 178.15 178.83 3d29 h THR 195 N 0.89 0.25 0.00 -0.27 2.02 -0.74 -0.59 112.91 114.47 3d29 h THR 195 Ca 0.17 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.33 3d29 h THR 195 Cb 0.49 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3d29 h THR 195 CO 0.02 0.00 -0.10 0.45 0.37 0.00 0.00 175.52 176.26 3d29 h HIS 196 N -0.74 0.00 -0.28 3.16 3.86 -1.22 -0.85 115.15 119.07 3d29 h HIS 196 Ca -0.02 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.11 3d29 h HIS 196 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 3d29 h HIS 196 CO -0.22 0.10 -0.14 1.98 0.86 0.00 0.00 177.93 180.51 3d29 h MET 197 N 0.00 0.60 -0.03 2.45 -1.53 -0.62 -1.38 114.93 114.42 3d29 h MET 197 Ca -0.00 -0.26 -0.00 0.00 -3.44 0.00 0.00 59.70 55.99 3d29 h MET 197 Cb 0.39 -0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.43 3d29 h MET 197 CO 0.01 0.84 0.01 0.82 0.14 0.00 0.00 176.91 178.73 3d29 h ILE 198 N 0.34 1.16 0.11 1.77 2.04 -0.29 -1.74 117.51 120.91 3d29 h ILE 198 Ca 0.06 -0.48 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3d29 h ILE 198 Cb 0.66 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 3d29 h ILE 198 CO 0.04 0.13 -0.29 0.44 0.00 0.00 0.00 178.15 178.47 3d29 h ASP 199 N -0.14 -0.84 -0.54 1.72 3.45 -1.16 0.62 116.42 119.53 3d29 h ASP 199 Ca 0.01 0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 3d29 h ASP 199 Cb 0.20 0.32 -0.03 0.00 -0.56 0.00 0.00 39.33 39.26 3d29 h ASP 199 CO -0.00 -0.38 0.22 0.00 -1.57 0.00 0.00 179.24 177.51 3d29 h ALA 200 N 0.19 1.29 0.00 3.45 0.00 -1.25 -2.89 119.26 120.05 3d29 h ALA 200 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3d29 h ALA 200 Cb 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3d29 h ALA 200 CO -0.18 0.52 -0.84 1.28 0.00 0.00 0.00 179.25 180.04 3d29 n LEU 201 N -4.31 0.64 -2.80 0.00 4.77 -0.66 -4.72 117.00 109.92 3d29 n LEU 201 Ca 0.05 0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 3d29 n LEU 201 Cb 0.18 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3d29 n LEU 201 CO 0.39 0.01 0.16 0.61 -1.33 0.00 0.00 177.39 177.24 3d29 n GLY 202 N 1.37 -0.16 3.04 -0.72 0.00 0.21 -5.02 105.19 103.92 3d29 n GLY 202 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3d29 n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d29 s THR 203 N -3.24 0.04 0.34 2.61 2.01 -1.01 -5.05 115.64 111.34 3d29 s THR 203 Ca 0.35 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 3d29 s THR 203 Cb -0.15 -0.29 -0.05 0.00 0.01 0.00 0.00 72.50 72.02 3d29 s THR 203 CO 0.54 -0.20 0.63 -0.70 -0.69 0.00 0.00 174.62 174.20 3d29 s GLU 204 N -0.64 3.65 0.12 4.92 2.56 -1.26 -4.42 118.70 123.63 3d29 s GLU 204 Ca -0.07 0.11 0.06 0.00 0.00 0.00 0.00 54.97 55.08 3d29 s GLU 204 Cb -0.04 -2.56 -0.04 0.00 2.00 0.00 0.00 34.13 33.49 3d29 s GLU 204 CO 0.01 0.11 -0.15 -0.06 -0.56 0.00 0.00 175.26 174.60 3d29 s PHE 205 N -2.23 1.48 0.34 5.30 0.40 -1.26 -5.10 117.98 116.90 3d29 s PHE 205 Ca 0.46 -0.52 0.08 0.00 -0.60 0.00 0.00 56.93 56.35 3d29 s PHE 205 Cb -0.10 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.60 3d29 s PHE 205 CO 0.32 0.17 0.10 -1.54 0.70 0.00 0.00 175.22 174.97 3d29 s SER 206 N -2.36 4.49 0.56 1.36 1.04 -1.26 -4.99 113.70 112.55 3d29 s SER 206 Ca 0.08 -0.86 0.27 0.00 0.48 0.00 0.00 55.95 55.92 3d29 s SER 206 Cb -0.06 -0.65 1.47 0.00 0.10 0.00 0.00 66.02 66.88 3d29 s SER 206 CO 0.04 -0.29 1.81 0.07 0.98 0.00 0.00 173.24 175.84 3d29 h LYS 207 N 1.63 0.00 -0.36 4.02 2.10 -1.93 -0.05 116.57 121.98 3d29 h LYS 207 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3d29 h LYS 207 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3d29 h LYS 207 CO 0.65 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.19 3d29 n ASN 208 N -2.67 3.40 -0.03 7.07 3.02 -1.26 -4.26 115.26 120.53 3d29 n ASN 208 Ca -0.02 -1.98 0.11 0.00 -0.03 0.00 0.00 54.58 52.66 3d29 n ASN 208 Cb 0.31 -0.23 0.04 0.00 -0.61 0.00 0.00 39.78 39.28 3d29 n ASN 208 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3d29 n ASP 209 N 1.44 0.87 -4.51 6.41 10.43 -0.03 -4.70 116.55 126.46 3d29 n ASP 209 Ca 0.18 -0.75 -0.24 0.00 2.57 0.00 0.00 54.79 56.55 3d29 n ASP 209 Cb 0.59 0.67 -0.11 0.00 1.84 0.00 0.00 41.12 44.12 3d29 n ASP 209 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3d29 s LEU 210 N -2.96 2.45 -0.03 0.64 1.43 -1.25 -0.41 118.68 118.55 3d29 s LEU 210 Ca 0.10 -1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 51.83 3d29 s LEU 210 Cb 0.17 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.83 3d29 s LEU 210 CO 0.78 -0.53 0.07 -0.70 0.23 0.00 0.00 176.35 176.20 3d29 s GLU 211 N -3.81 0.02 0.00 1.70 2.12 0.46 -4.64 118.70 114.55 3d29 s GLU 211 Ca 0.36 0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.95 3d29 s GLU 211 Cb 0.09 -0.17 -0.01 0.00 0.26 0.00 0.00 34.13 34.29 3d29 s GLU 211 CO 0.16 -0.14 -0.11 0.08 -0.54 0.00 0.00 175.26 174.72 3d29 s VAL 212 N 0.91 0.85 0.02 3.70 1.01 -1.26 -1.33 120.40 124.30 3d29 s VAL 212 Ca -0.07 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.38 3d29 s VAL 212 Cb -0.10 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3d29 s VAL 212 CO -0.03 0.16 -0.11 -0.83 0.00 0.00 0.00 175.10 174.28 3d29 s GLY 213 N -0.46 0.62 -0.01 4.51 0.00 -0.30 -0.98 107.32 110.71 3d29 s GLY 213 Ca 0.03 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.14 3d29 s GLY 213 CO -0.00 -0.60 -0.09 0.14 0.00 0.00 0.00 173.10 172.54 3d29 s VAL 214 N -0.64 0.74 -0.15 1.40 1.01 0.11 -1.52 120.40 121.35 3d29 s VAL 214 Ca 0.01 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3d29 s VAL 214 Cb -0.06 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3d29 s VAL 214 CO 0.00 0.21 -0.20 0.00 0.00 0.00 0.00 175.10 175.11 3d29 s ALA 215 N -0.21 2.19 0.45 5.51 0.00 0.79 -0.56 121.76 129.93 3d29 s ALA 215 Ca 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3d29 s ALA 215 Cb -0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 3d29 s ALA 215 CO -0.00 -0.17 0.05 0.95 0.00 0.00 0.00 175.76 176.59 3d29 s THR 216 N 1.04 1.05 -0.14 0.00 -4.23 0.13 -0.72 115.64 112.77 3d29 s THR 216 Ca -0.02 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.14 3d29 s THR 216 Cb -0.14 -2.37 -0.12 0.00 1.34 0.00 0.00 72.50 71.20 3d29 s THR 216 CO -0.06 0.00 1.88 1.17 -0.54 0.00 0.00 174.62 177.07 3d29 n LYS 217 N -1.05 1.95 -2.17 3.99 3.00 -1.26 -1.87 118.16 120.75 3d29 n LYS 217 Ca -0.11 0.71 -0.19 0.00 -0.00 0.00 0.00 58.31 58.71 3d29 n LYS 217 Cb 0.66 -2.55 -0.03 0.00 0.00 0.00 0.00 35.03 33.11 3d29 n LYS 217 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3d29 n ASP 218 N 6.68 -5.53 -3.65 3.14 8.00 -1.26 -4.98 116.55 118.96 3d29 n ASP 218 Ca 0.24 0.11 0.01 0.00 0.71 0.00 0.00 54.79 55.86 3d29 n ASP 218 Cb 0.27 -4.61 -0.06 0.00 -0.02 0.00 0.00 41.12 36.69 3d29 n ASP 218 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3d29 s LYS 220 N -4.64 0.06 -0.09 -1.24 2.20 -0.78 -4.81 119.74 110.44 3d29 s LYS 220 Ca 0.00 0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.75 3d29 s LYS 220 Cb 0.00 0.02 -0.00 0.00 -1.51 0.00 0.00 37.83 36.33 3d29 s LYS 220 CO 0.00 -0.01 -0.24 0.12 -0.36 0.00 0.00 175.35 174.86 3d29 s PHE 221 N 0.83 2.51 0.08 4.03 2.19 -0.40 0.17 117.98 127.39 3d29 s PHE 221 Ca -0.05 -0.97 -0.07 0.00 0.33 0.00 0.00 56.93 56.18 3d29 s PHE 221 Cb -0.03 -1.67 -0.01 0.00 -1.31 0.00 0.00 43.02 40.00 3d29 s PHE 221 CO -0.11 -0.37 0.13 -0.59 1.83 0.00 0.00 175.22 176.11 3d29 s PHE 222 N 0.24 0.26 0.16 10.12 -0.12 0.28 -4.91 117.98 124.00 3d29 s PHE 222 Ca -0.16 -0.72 0.05 0.00 -0.05 0.00 0.00 56.93 56.05 3d29 s PHE 222 Cb -0.17 -0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 3d29 s PHE 222 CO 0.08 -0.51 0.13 0.95 -0.05 0.00 0.00 175.22 175.82 3d29 s THR 223 N -3.88 4.47 0.42 -4.49 -4.23 -1.26 0.05 115.64 106.72 3d29 s THR 223 Ca 0.06 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 59.45 3d29 s THR 223 Cb 0.06 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 3d29 s THR 223 CO -0.10 -0.09 0.72 -0.76 -0.54 0.00 0.00 174.62 173.85 3d29 s LEU 224 N -3.04 3.77 0.34 4.79 1.43 -0.15 -4.95 118.68 120.87 3d29 s LEU 224 Ca 0.31 0.87 0.05 0.00 -1.03 0.00 0.00 54.13 54.32 3d29 s LEU 224 Cb -0.10 -3.78 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 3d29 s LEU 224 CO 0.23 -0.46 0.50 -0.94 0.23 0.00 0.00 176.35 175.91 3d29 s SER 225 N -3.81 6.03 0.30 2.29 1.04 -1.26 -4.69 113.70 113.60 3d29 s SER 225 Ca 0.46 0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.96 3d29 s SER 225 Cb -0.10 -1.47 0.80 0.00 0.10 0.00 0.00 66.02 65.35 3d29 s SER 225 CO 0.39 -0.41 1.69 0.00 0.98 0.00 0.00 173.24 175.89 3d29 h ALA 226 N 0.83 1.55 -0.24 5.32 0.00 -1.96 0.41 119.26 125.17 3d29 h ALA 226 Ca -0.47 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3d29 h ALA 226 Cb 1.25 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3d29 h ALA 226 CO 0.56 -0.37 -0.20 0.93 0.00 0.00 0.00 179.25 180.17 3d29 h GLU 227 N 0.40 0.56 -1.00 0.00 4.39 -1.93 0.60 114.58 117.60 3d29 h GLU 227 Ca 0.60 -0.28 0.10 0.00 0.34 0.00 0.00 59.36 60.12 3d29 h GLU 227 Cb 1.18 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.75 3d29 h GLU 227 CO -0.54 0.86 0.64 -0.91 -1.16 0.00 0.00 179.01 177.89 3d29 h ASN 228 N 0.27 0.96 -0.04 1.42 -0.26 -1.38 -0.48 115.58 116.07 3d29 h ASN 228 Ca 0.04 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 3d29 h ASN 228 Cb 0.74 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.83 3d29 h ASN 228 CO 0.05 0.55 -0.01 0.40 -1.06 0.00 0.00 177.43 177.36 3d29 h ILE 229 N 1.06 1.29 -0.41 2.81 2.04 -0.81 -2.40 117.51 121.09 3d29 h ILE 229 Ca 0.47 -0.89 0.09 0.00 1.00 0.00 0.00 64.86 65.53 3d29 h ILE 229 Cb 0.37 1.81 -0.09 0.00 -0.74 0.00 0.00 36.82 38.18 3d29 h ILE 229 CO -0.23 0.24 -0.18 -0.08 0.00 0.00 0.00 178.15 177.90 3d29 h GLU 230 N -0.27 -0.09 -0.46 2.37 4.57 -0.08 0.56 114.58 121.17 3d29 h GLU 230 Ca 0.01 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.30 3d29 h GLU 230 Cb 0.39 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 3d29 h GLU 230 CO 0.00 -0.06 0.32 1.49 -1.18 0.00 0.00 179.01 179.58 3d29 h GLU 231 N -0.10 0.17 -0.02 1.92 4.81 -1.06 0.26 114.58 120.57 3d29 h GLU 231 Ca 0.20 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.16 3d29 h GLU 231 Cb 0.40 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 29.76 3d29 h GLU 231 CO -0.47 0.11 -1.00 -0.09 -0.73 0.00 0.00 179.01 176.83 3d29 h ARG 232 N 0.18 0.69 -0.47 1.92 9.65 0.40 -2.95 114.38 123.80 3d29 h ARG 232 Ca 0.22 -0.72 -0.12 0.00 -1.10 0.00 0.00 59.98 58.26 3d29 h ARG 232 Cb 0.62 0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 3d29 h ARG 232 CO -0.03 1.30 -0.17 -0.07 2.80 0.00 0.00 179.97 183.79 3d29 h LEU 233 N 0.40 0.96 -0.99 3.80 4.07 0.13 -2.71 115.31 120.97 3d29 h LEU 233 Ca -0.12 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.46 3d29 h LEU 233 Cb 1.65 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 43.08 3d29 h LEU 233 CO 0.20 1.13 0.60 0.58 -1.08 0.00 0.00 178.44 179.86 3d29 h VAL 234 N 0.79 1.26 -0.43 1.22 2.07 -0.61 -2.07 116.25 118.48 3d29 h VAL 234 Ca 0.11 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3d29 h VAL 234 Cb 0.74 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 3d29 h VAL 234 CO 0.06 0.26 0.23 0.00 0.02 0.00 0.00 177.57 178.14 3d29 h ALA 235 N 1.34 0.56 0.00 1.67 0.00 -1.33 -2.06 119.26 119.45 3d29 h ALA 235 Ca 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3d29 h ALA 235 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3d29 h ALA 235 CO -0.07 0.09 -0.18 -0.84 0.00 0.00 0.00 179.25 178.25 3d29 h ILE 236 N 0.56 0.59 -0.06 0.00 -0.00 -1.18 -2.39 117.51 115.03 3d29 h ILE 236 Ca 0.15 -0.82 -0.10 0.00 -0.00 0.00 0.00 64.86 64.09 3d29 h ILE 236 Cb 0.07 1.54 -0.01 0.00 -0.00 0.00 0.00 36.82 38.42 3d29 h ILE 236 CO -0.02 0.17 -0.43 0.00 -0.00 0.00 0.00 178.15 177.87 3d29 h ALA 237 N 1.82 1.18 -0.76 0.16 0.00 -0.68 -3.18 119.26 117.81 3d29 h ALA 237 Ca -0.00 -0.41 -0.66 0.00 0.00 0.00 0.00 54.91 53.84 3d29 h ALA 237 Cb 0.52 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.04 3d29 h ALA 237 CO 0.02 0.57 1.13 0.39 0.00 0.00 0.00 179.25 181.37 3d29 n GLU 238 N -4.02 3.47 0.00 0.00 1.02 -0.90 -3.31 120.64 116.91 3d29 n GLU 238 Ca -0.02 -3.21 0.00 0.00 -0.02 0.00 0.00 57.16 53.91 3d29 n GLU 238 Cb 0.47 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 3d29 n GLU 238 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3d29 n GLN 239 N 0.65 0.34 0.00 3.49 7.27 -1.20 -5.03 117.38 122.90 3d29 n GLN 239 Ca 0.53 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.66 3d29 n GLN 239 Cb 0.37 -0.03 0.05 0.00 2.41 0.00 0.00 30.24 33.03 3d29 n GLN 239 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88