#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd6 s ARG 2 N 0.00 4.26 0.17 2.12 1.81 -1.26 -4.96 118.95 121.09 3dd6 s ARG 2 Ca 0.00 2.35 -0.32 0.00 -1.72 0.00 0.00 55.73 56.04 3dd6 s ARG 2 Cb 0.00 -3.05 -0.11 0.00 -0.45 0.00 0.00 34.95 31.34 3dd6 s ARG 2 CO 0.00 -0.35 1.76 0.08 -0.68 0.00 0.00 175.30 176.11 3dd6 s VAL 3 N -0.80 2.28 0.13 3.52 1.01 -1.26 -4.99 120.40 120.29 3dd6 s VAL 3 Ca 0.53 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 3dd6 s VAL 3 Cb -0.42 -3.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 3dd6 s VAL 3 CO 0.53 0.00 0.50 -0.62 0.00 0.00 0.00 175.10 175.51 3dd6 s ASP 4 N 1.85 6.74 0.00 3.32 3.68 -1.26 -4.97 116.67 126.03 3dd6 s ASP 4 Ca 0.77 0.95 0.00 0.00 2.13 0.00 0.00 52.55 56.41 3dd6 s ASP 4 Cb -0.48 -2.24 0.00 0.00 -1.45 0.00 0.00 42.92 38.75 3dd6 s ASP 4 CO 0.34 0.11 0.00 0.61 0.13 0.00 0.00 175.17 176.36 3dd6 n GLY 5 N 0.73 -1.96 3.31 2.66 0.00 -1.26 -4.98 105.19 103.69 3dd6 n GLY 5 Ca -0.06 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.17 3dd6 n GLY 5 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dd6 s ARG 6 N 0.00 1.64 0.88 1.61 0.52 -1.26 -5.14 118.95 117.20 3dd6 s ARG 6 Ca 0.00 -1.06 -0.11 0.00 -0.52 0.00 0.00 55.73 54.04 3dd6 s ARG 6 Cb 0.00 -1.81 0.12 0.00 0.52 0.00 0.00 34.95 33.78 3dd6 s ARG 6 CO 0.00 0.46 1.09 -1.21 0.02 0.00 0.00 175.30 175.67 3dd6 s GLU 7 N -1.25 1.41 0.46 3.54 2.02 -1.26 -4.92 118.70 118.69 3dd6 s GLU 7 Ca 0.10 0.89 0.12 0.00 0.02 0.00 0.00 54.97 56.11 3dd6 s GLU 7 Cb -0.10 -1.82 1.03 0.00 0.10 0.00 0.00 34.13 33.34 3dd6 s GLU 7 CO 0.02 -2.16 2.06 0.87 0.02 0.00 0.00 175.26 176.07 3dd6 h LYS 8 N -1.49 0.18 -0.57 1.61 1.57 -1.96 -2.46 116.57 113.45 3dd6 h LYS 8 Ca -0.48 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.03 3dd6 h LYS 8 Cb 1.27 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.40 3dd6 h LYS 8 CO 0.54 0.19 0.18 -2.37 -0.57 0.00 0.00 179.45 177.42 3dd6 n THR 9 N -4.44 2.75 -4.93 -0.16 5.66 -1.26 -0.49 114.28 111.42 3dd6 n THR 9 Ca -0.01 -2.21 -0.33 0.00 -3.05 0.00 0.00 64.05 58.45 3dd6 n THR 9 Cb 0.14 -0.36 -0.15 0.00 -1.55 0.00 0.00 70.33 68.42 3dd6 n THR 9 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3dd6 s GLU 10 N -3.15 3.08 0.72 1.09 2.12 -0.93 -4.91 118.70 116.72 3dd6 s GLU 10 Ca 0.49 -0.74 -0.14 0.00 0.36 0.00 0.00 54.97 54.94 3dd6 s GLU 10 Cb 0.42 -2.48 0.03 0.00 0.26 0.00 0.00 34.13 32.37 3dd6 s GLU 10 CO 0.06 0.30 1.13 -0.51 -0.54 0.00 0.00 175.26 175.71 3dd6 s LEU 11 N 0.09 3.25 1.08 2.70 1.43 -1.26 -4.77 118.68 121.21 3dd6 s LEU 11 Ca -0.07 2.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.95 3dd6 s LEU 11 Cb -0.15 -4.56 0.23 0.00 0.03 0.00 0.00 46.19 41.74 3dd6 s LEU 11 CO 0.05 -2.00 1.09 -0.13 0.23 0.00 0.00 176.35 175.60 3dd6 s ARG 12 N -4.25 -0.26 0.17 1.70 0.52 -1.26 -4.97 118.95 110.61 3dd6 s ARG 12 Ca 0.68 0.32 -0.32 0.00 -0.52 0.00 0.00 55.73 55.89 3dd6 s ARG 12 Cb -0.22 -1.67 -0.11 0.00 0.52 0.00 0.00 34.95 33.46 3dd6 s ARG 12 CO 0.47 -3.15 1.74 -1.01 0.02 0.00 0.00 175.30 173.36 3dd6 s HIS 13 N -2.95 2.68 -0.15 -0.53 3.76 -1.26 -4.65 115.29 112.20 3dd6 s HIS 13 Ca 0.67 0.26 -0.00 0.00 -0.15 0.00 0.00 55.06 55.84 3dd6 s HIS 13 Cb -0.16 -4.13 -0.01 0.00 1.11 0.00 0.00 32.58 29.39 3dd6 s HIS 13 CO 0.57 -4.38 -0.13 0.42 -0.85 0.00 0.00 174.74 170.38 3dd6 s ILE 14 N 1.68 2.94 -0.04 0.60 -1.09 -1.26 -0.57 121.20 123.45 3dd6 s ILE 14 Ca 0.76 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 3dd6 s ILE 14 Cb -0.48 -2.24 0.03 0.00 -1.58 0.00 0.00 42.46 38.18 3dd6 s ILE 14 CO 0.33 0.51 -0.00 -1.00 -1.23 0.00 0.00 174.94 173.55 3dd6 s HIS 15 N 0.62 0.39 -0.32 3.97 3.76 -0.45 -5.00 115.29 118.27 3dd6 s HIS 15 Ca -0.07 -0.03 0.01 0.00 -0.15 0.00 0.00 55.06 54.81 3dd6 s HIS 15 Cb -0.16 -0.48 0.08 0.00 1.11 0.00 0.00 32.58 33.13 3dd6 s HIS 15 CO 0.03 -0.16 0.01 0.42 -0.85 0.00 0.00 174.74 174.19 3dd6 s ILE 16 N 1.14 2.60 -0.40 0.60 1.01 -1.26 -0.51 121.20 124.38 3dd6 s ILE 16 Ca -0.08 -1.82 -0.21 0.00 0.00 0.00 0.00 60.65 58.54 3dd6 s ILE 16 Cb -0.13 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.69 3dd6 s ILE 16 CO -0.02 -0.31 0.65 -1.00 0.00 0.00 0.00 174.94 174.26 3dd6 s HIS 17 N 1.10 3.10 0.31 3.97 3.76 -0.01 -4.85 115.29 122.66 3dd6 s HIS 17 Ca 0.00 0.14 -0.04 0.00 -0.15 0.00 0.00 55.06 55.00 3dd6 s HIS 17 Cb -0.20 -3.27 -0.05 0.00 1.11 0.00 0.00 32.58 30.17 3dd6 s HIS 17 CO -0.05 -0.77 0.57 0.95 -0.85 0.00 0.00 174.74 174.59 3dd6 s THR 18 N 2.80 5.03 -1.54 1.30 -4.23 -1.26 -1.32 115.64 116.41 3dd6 s THR 18 Ca 0.24 0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.66 3dd6 s THR 18 Cb -0.14 -3.75 0.08 0.00 1.34 0.00 0.00 72.50 70.02 3dd6 s THR 18 CO 0.17 -0.38 0.69 0.59 -0.54 0.00 0.00 174.62 175.16 3dd6 n ASN 19 N -1.10 -2.44 -0.04 3.99 3.02 0.15 -4.88 115.26 113.97 3dd6 n ASN 19 Ca -0.02 -0.95 -0.11 0.00 -0.03 0.00 0.00 54.58 53.47 3dd6 n ASN 19 Cb 0.54 -3.17 -0.05 0.00 -0.61 0.00 0.00 39.78 36.49 3dd6 n ASN 19 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3dd6 h TYR 20 N -1.76 0.23 -2.72 3.10 3.20 -1.60 -3.44 116.97 113.98 3dd6 h TYR 20 Ca -0.60 -0.02 -0.49 0.00 3.14 0.00 0.00 58.73 60.75 3dd6 h TYR 20 Cb 1.38 -0.07 -0.14 0.00 1.54 0.00 0.00 36.73 39.44 3dd6 h TYR 20 CO 0.56 0.32 -0.74 -0.51 -1.64 0.00 0.00 178.16 176.15 3dd6 s LEU 21 N -9.81 2.56 0.06 2.82 1.43 -1.26 -5.04 118.68 109.43 3dd6 s LEU 21 Ca -0.14 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 51.83 3dd6 s LEU 21 Cb 0.06 -0.79 -0.30 0.00 0.03 0.00 0.00 46.19 45.19 3dd6 s LEU 21 CO 0.70 -0.11 1.09 0.11 0.23 0.00 0.00 176.35 178.37 3dd6 h LYS 22 N 2.51 0.49 0.06 1.70 1.57 -2.00 -3.40 116.57 117.50 3dd6 h LYS 22 Ca -0.39 -0.75 -0.25 0.00 -1.87 0.00 0.00 60.65 57.39 3dd6 h LYS 22 Cb 1.23 0.27 0.01 0.00 0.08 0.00 0.00 32.23 33.82 3dd6 h LYS 22 CO 0.61 1.35 -1.09 0.45 -0.57 0.00 0.00 179.45 180.20 3dd6 h HIS 23 N 0.17 0.63 -4.17 -1.35 3.86 -1.99 -3.46 115.15 108.83 3dd6 h HIS 23 Ca -0.20 -0.39 -0.52 0.00 -1.16 0.00 0.00 60.37 58.11 3dd6 h HIS 23 Cb 2.02 -0.05 0.12 0.00 1.06 0.00 0.00 27.41 30.55 3dd6 h HIS 23 CO 0.10 1.24 0.39 -2.14 0.86 0.00 0.00 177.93 178.39 3dd6 s PRO 24 N -3.03 2.61 0.44 2.45 0.02 -1.26 -4.92 135.00 131.31 3dd6 s PRO 24 Ca -0.06 1.58 0.12 0.00 0.02 0.00 0.00 61.00 62.66 3dd6 s PRO 24 Cb 0.08 -1.91 1.00 0.00 0.02 0.00 0.00 34.50 33.68 3dd6 s PRO 24 CO 0.88 -1.43 2.03 0.93 -0.33 0.00 0.00 177.00 179.08 3dd6 h GLU 25 N 0.06 0.40 -3.12 5.54 3.07 -1.80 -3.42 114.58 115.32 3dd6 h GLU 25 Ca -0.48 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.14 3dd6 h GLU 25 Cb 1.27 -0.09 -0.31 0.00 -0.84 0.00 0.00 28.75 28.78 3dd6 h GLU 25 CO 0.53 0.27 -0.53 0.20 -1.40 0.00 0.00 179.01 178.07 3dd6 s GLY 26 N -3.78 -0.09 -0.02 -3.84 0.00 -0.86 -3.69 107.32 95.03 3dd6 s GLY 26 Ca -0.08 0.87 0.00 0.00 0.00 0.00 0.00 44.72 45.51 3dd6 s GLY 26 CO 0.73 1.16 0.01 -0.45 0.00 0.00 0.00 173.10 174.55 3dd6 s SER 27 N 1.24 0.26 -0.01 1.64 0.15 -1.26 -0.25 113.70 115.46 3dd6 s SER 27 Ca -0.09 -0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 3dd6 s SER 27 Cb -0.11 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.06 3dd6 s SER 27 CO -0.07 -0.10 0.04 -0.69 1.20 0.00 0.00 173.24 173.62 3dd6 s VAL 28 N 0.90 0.02 -0.25 4.45 1.01 -0.31 -0.67 120.40 125.56 3dd6 s VAL 28 Ca -0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 3dd6 s VAL 28 Cb -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 3dd6 s VAL 28 CO -0.02 -0.09 0.01 -0.22 0.00 0.00 0.00 175.10 174.78 3dd6 s LEU 29 N -0.27 3.26 -0.14 3.92 2.96 -0.43 -0.50 118.68 127.47 3dd6 s LEU 29 Ca -0.03 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 3dd6 s LEU 29 Cb -0.02 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3dd6 s LEU 29 CO 0.00 -0.07 0.04 -0.51 -1.32 0.00 0.00 176.35 174.49 3dd6 s ILE 30 N 1.50 4.64 -0.16 6.68 2.07 -0.36 -0.83 121.20 134.74 3dd6 s ILE 30 Ca 0.05 -0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.18 3dd6 s ILE 30 Cb -0.15 -3.04 -0.01 0.00 0.13 0.00 0.00 42.46 39.39 3dd6 s ILE 30 CO -0.01 0.53 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.82 3dd6 s GLU 31 N -0.16 3.33 -0.36 3.50 2.02 0.33 -1.29 118.70 126.07 3dd6 s GLU 31 Ca 0.06 -0.69 0.02 0.00 0.02 0.00 0.00 54.97 54.38 3dd6 s GLU 31 Cb -0.12 -2.72 0.11 0.00 0.10 0.00 0.00 34.13 31.49 3dd6 s GLU 31 CO 0.01 0.04 0.12 0.08 0.02 0.00 0.00 175.26 175.54 3dd6 s VAL 32 N 0.78 1.63 0.00 2.63 1.01 0.97 -1.34 120.40 126.09 3dd6 s VAL 32 Ca -0.04 -2.11 0.00 0.00 0.00 0.00 0.00 61.98 59.83 3dd6 s VAL 32 Cb -0.15 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3dd6 s VAL 32 CO 0.01 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.03 3dd6 n GLY 33 N 4.26 3.01 0.13 4.51 0.00 0.26 -1.11 105.19 116.26 3dd6 n GLY 33 Ca 0.02 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3dd6 n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dd6 n ASP 34 N 2.67 0.74 -4.67 1.61 9.92 -1.26 -4.73 116.55 120.84 3dd6 n ASP 34 Ca 0.00 0.65 -0.43 0.00 -0.53 0.00 0.00 54.79 54.49 3dd6 n ASP 34 Cb 0.00 -0.82 -0.02 0.00 -0.64 0.00 0.00 41.12 39.63 3dd6 n ASP 34 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3dd6 s THR 35 N -3.28 4.07 -0.07 -3.53 2.01 -0.27 -4.37 115.64 110.20 3dd6 s THR 35 Ca 0.05 1.33 0.01 0.00 0.31 0.00 0.00 61.69 63.40 3dd6 s THR 35 Cb 0.10 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.77 3dd6 s THR 35 CO 0.45 -0.09 -0.08 -0.54 -0.69 0.00 0.00 174.62 173.66 3dd6 s LYS 36 N 3.34 1.39 -0.07 4.92 1.02 0.80 -0.02 119.74 131.13 3dd6 s LYS 36 Ca 0.60 -0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.32 3dd6 s LYS 36 Cb -0.25 -1.30 0.02 0.00 -0.52 0.00 0.00 37.83 35.78 3dd6 s LYS 36 CO 0.20 -0.10 -0.04 0.08 -0.92 0.00 0.00 175.35 174.56 3dd6 s VAL 37 N 1.09 0.66 -0.28 3.17 1.01 -0.41 -0.76 120.40 124.88 3dd6 s VAL 37 Ca -0.07 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.52 3dd6 s VAL 37 Cb -0.14 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.53 3dd6 s VAL 37 CO -0.01 0.28 0.99 -0.63 0.00 0.00 0.00 175.10 175.73 3dd6 s ILE 38 N 1.42 4.65 -0.18 2.22 1.01 0.40 -1.22 121.20 129.50 3dd6 s ILE 38 Ca -0.02 1.72 -0.01 0.00 0.00 0.00 0.00 60.65 62.34 3dd6 s ILE 38 Cb -0.13 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.04 3dd6 s ILE 38 CO -0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 174.94 174.49 3dd6 s SER 40 N 1.11 2.32 -0.11 0.00 0.01 0.66 -1.16 113.70 116.52 3dd6 s SER 40 Ca 0.00 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.72 3dd6 s SER 40 Cb -0.14 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 65.93 3dd6 s SER 40 CO -0.04 0.09 -0.22 0.00 0.41 0.00 0.00 173.24 173.48 3dd6 s ALA 41 N -0.97 2.26 -0.11 1.44 0.00 0.65 -0.83 121.76 124.20 3dd6 s ALA 41 Ca 0.06 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.06 3dd6 s ALA 41 Cb -0.09 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.11 3dd6 s ALA 41 CO 0.03 0.20 -0.22 0.99 0.00 0.00 0.00 175.76 176.76 3dd6 s THR 42 N 0.46 1.98 -0.24 0.00 2.01 0.57 -2.02 115.64 118.39 3dd6 s THR 42 Ca -0.15 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 60.75 3dd6 s THR 42 Cb -0.17 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 3dd6 s THR 42 CO 0.06 0.54 0.35 -0.63 -0.69 0.00 0.00 174.62 174.25 3dd6 s ILE 43 N 0.50 5.21 -0.09 1.82 -1.09 -1.26 -0.31 121.20 125.98 3dd6 s ILE 43 Ca -0.15 0.56 0.03 0.00 -2.23 0.00 0.00 60.65 58.85 3dd6 s ILE 43 Cb -0.17 -3.68 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 3dd6 s ILE 43 CO 0.06 0.22 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.11 3dd6 s GLU 44 N 1.63 2.97 -0.89 2.79 2.12 -0.36 -5.01 118.70 121.95 3dd6 s GLU 44 Ca 0.15 -0.78 -0.07 0.00 0.36 0.00 0.00 54.97 54.63 3dd6 s GLU 44 Cb -0.15 -2.41 -0.11 0.00 0.26 0.00 0.00 34.13 31.72 3dd6 s GLU 44 CO 0.08 0.32 3.10 0.39 -0.54 0.00 0.00 175.26 178.61 3dd6 n GLU 45 N 3.17 3.09 -3.52 4.30 -0.58 -1.26 -1.01 120.64 124.84 3dd6 n GLU 45 Ca -0.18 -1.97 -0.16 0.00 -0.42 0.00 0.00 57.16 54.43 3dd6 n GLU 45 Cb 0.52 -2.43 -0.05 0.00 -0.57 0.00 0.00 31.44 28.91 3dd6 n GLU 45 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3dd6 s ARG 46 N 0.89 1.08 0.26 3.49 0.52 -1.26 -4.92 118.95 119.02 3dd6 s ARG 46 Ca 0.66 0.05 0.08 0.00 -0.52 0.00 0.00 55.73 56.00 3dd6 s ARG 46 Cb 0.25 0.51 -0.05 0.00 0.52 0.00 0.00 34.95 36.17 3dd6 s ARG 46 CO -0.06 -0.37 -0.11 0.14 0.02 0.00 0.00 175.30 174.91 3dd6 s VAL 47 N -1.80 1.85 0.54 3.52 -7.23 -1.26 -1.56 120.40 114.45 3dd6 s VAL 47 Ca -0.08 -2.21 -0.21 0.00 -1.81 0.00 0.00 61.98 57.68 3dd6 s VAL 47 Cb -0.00 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.58 3dd6 s VAL 47 CO 0.04 -0.42 1.07 -2.65 -0.31 0.00 0.00 175.10 172.84 3dd6 n PRO 48 N -0.53 1.21 -0.33 4.82 -0.02 -1.26 -4.76 135.00 134.13 3dd6 n PRO 48 Ca -0.06 0.45 0.15 0.00 -2.02 0.00 0.00 63.50 62.02 3dd6 n PRO 48 Cb 0.62 -2.24 0.35 0.00 -0.02 0.00 0.00 33.50 32.21 3dd6 n PRO 48 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3dd6 h PRO 49 N 0.98 0.51 0.00 0.52 0.13 -2.00 -2.21 132.00 129.92 3dd6 h PRO 49 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3dd6 h PRO 49 Cb 1.34 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3dd6 h PRO 49 CO 0.54 0.34 0.09 1.97 -0.23 0.00 0.00 178.00 180.70 3dd6 n PHE 50 N -4.94 0.34 -0.94 1.56 -1.74 -1.26 -2.27 117.46 108.21 3dd6 n PHE 50 Ca 0.25 0.18 0.00 0.00 -0.56 0.00 0.00 57.45 57.31 3dd6 n PHE 50 Cb 0.70 -0.71 0.00 0.00 1.52 0.00 0.00 39.48 40.98 3dd6 n PHE 50 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3dd6 n MET 51 N -1.83 0.17 -2.06 3.97 0.00 -0.86 -5.09 117.12 111.42 3dd6 n MET 51 Ca -0.01 -0.54 -0.40 0.00 0.00 0.00 0.00 57.70 56.75 3dd6 n MET 51 Cb 0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 33.22 32.78 3dd6 n MET 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3dd6 s ARG 52 N -0.06 4.23 0.00 3.17 3.52 -0.96 -2.64 118.95 126.21 3dd6 s ARG 52 Ca 0.00 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 3dd6 s ARG 52 Cb 0.00 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 3dd6 s ARG 52 CO 0.00 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 174.60 3dd6 n GLY 53 N 0.72 2.32 0.16 8.12 0.00 -1.26 -4.86 105.19 110.39 3dd6 n GLY 53 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3dd6 n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dd6 n GLU 54 N -2.00 0.93 -0.94 1.61 1.02 -1.08 -4.94 120.64 115.24 3dd6 n GLU 54 Ca 0.00 -0.33 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 3dd6 n GLU 54 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 3dd6 n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dd6 n GLY 55 N 1.21 0.62 3.77 0.62 0.00 -1.26 -5.01 105.19 105.14 3dd6 n GLY 55 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3dd6 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dd6 s LYS 56 N -0.31 2.83 0.00 1.61 1.02 -1.26 -3.92 119.74 119.71 3dd6 s LYS 56 Ca 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.18 3dd6 s LYS 56 Cb 0.00 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.66 3dd6 s LYS 56 CO 0.00 0.52 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 3dd6 n GLY 57 N 0.07 0.97 3.28 -3.33 0.00 -0.14 -4.28 105.19 101.76 3dd6 n GLY 57 Ca -0.09 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.84 3dd6 n GLY 57 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3dd6 s TRP 58 N 0.41 -0.15 -0.03 1.61 -0.11 -0.67 -4.91 118.94 115.10 3dd6 s TRP 58 Ca 0.00 -0.03 0.02 0.00 1.22 0.00 0.00 56.10 57.31 3dd6 s TRP 58 Cb 0.00 0.16 0.01 0.00 -1.50 0.00 0.00 33.47 32.13 3dd6 s TRP 58 CO 0.00 -0.58 -0.08 0.08 -4.62 0.00 0.00 176.95 171.75 3dd6 s VAL 59 N -2.97 0.70 -0.00 5.86 1.01 -1.26 -0.82 120.40 122.91 3dd6 s VAL 59 Ca -0.02 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3dd6 s VAL 59 Cb 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.75 3dd6 s VAL 59 CO -0.06 0.23 -0.03 0.28 0.00 0.00 0.00 175.10 175.52 3dd6 s THR 60 N 0.27 0.24 0.07 3.92 -1.32 -0.14 -4.87 115.64 113.79 3dd6 s THR 60 Ca -0.04 -0.12 0.09 0.00 -1.21 0.00 0.00 61.69 60.41 3dd6 s THR 60 Cb -0.09 -0.21 -0.03 0.00 -1.51 0.00 0.00 72.50 70.66 3dd6 s THR 60 CO 0.00 0.07 -0.24 0.00 -2.21 0.00 0.00 174.62 172.24 3dd6 s ALA 61 N -0.01 2.06 0.10 11.08 0.00 -1.26 -0.96 121.76 132.77 3dd6 s ALA 61 Ca 0.01 -1.23 0.09 0.00 0.00 0.00 0.00 51.96 50.82 3dd6 s ALA 61 Cb -0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3dd6 s ALA 61 CO -0.00 0.47 -0.24 -1.21 0.00 0.00 0.00 175.76 174.78 3dd6 s GLU 62 N -1.43 1.33 -0.01 0.00 2.02 0.37 -4.77 118.70 116.21 3dd6 s GLU 62 Ca 0.10 -1.19 0.01 0.00 0.02 0.00 0.00 54.97 53.92 3dd6 s GLU 62 Cb -0.10 -1.65 0.00 0.00 0.10 0.00 0.00 34.13 32.49 3dd6 s GLU 62 CO 0.03 0.40 -0.05 -0.47 0.02 0.00 0.00 175.26 175.19 3dd6 s TYR 63 N -1.03 0.47 0.10 1.61 5.04 -1.26 -1.01 117.35 121.26 3dd6 s TYR 63 Ca 0.10 -0.09 -0.18 0.00 -2.44 0.00 0.00 57.07 54.46 3dd6 s TYR 63 Cb -0.10 -0.33 0.04 0.00 0.35 0.00 0.00 41.96 41.92 3dd6 s TYR 63 CO 0.04 -0.03 0.43 0.00 -1.34 0.00 0.00 175.55 174.65 3dd6 s ALA 64 N 0.04 -1.05 -0.13 3.97 0.00 -0.53 -4.99 121.76 119.08 3dd6 s ALA 64 Ca -0.00 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3dd6 s ALA 64 Cb -0.04 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 3dd6 s ALA 64 CO -0.00 -0.58 -0.10 -1.64 0.00 0.00 0.00 175.76 173.44 3dd6 s MET 65 N -3.28 3.38 0.52 0.00 -1.94 -1.26 -0.32 119.30 116.40 3dd6 s MET 65 Ca -0.00 -0.62 -0.22 0.00 -1.71 0.00 0.00 55.69 53.13 3dd6 s MET 65 Cb 0.01 -2.70 -0.06 0.00 2.01 0.00 0.00 34.83 34.09 3dd6 s MET 65 CO -0.08 0.28 1.33 0.44 -0.01 0.00 0.00 175.02 176.98 3dd6 n ILE 66 N 3.35 3.53 -0.33 2.53 -5.35 -0.58 -4.88 119.36 117.62 3dd6 n ILE 66 Ca -0.18 -0.50 0.14 0.00 -0.27 0.00 0.00 62.75 61.94 3dd6 n ILE 66 Cb 0.53 -1.63 0.35 0.00 -1.74 0.00 0.00 39.64 37.14 3dd6 n ILE 66 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 3dd6 h PRO 67 N 1.55 0.69 -0.80 6.28 0.11 -1.92 0.78 132.00 138.71 3dd6 h PRO 67 Ca -0.50 -0.04 -0.40 0.00 0.11 0.00 0.00 66.00 65.16 3dd6 h PRO 67 Cb 1.30 -0.16 -0.24 0.00 0.11 0.00 0.00 31.00 32.02 3dd6 h PRO 67 CO 0.57 0.46 0.43 -2.13 -0.21 0.00 0.00 178.00 177.12 3dd6 n ARG 68 N -4.70 2.23 0.12 1.05 3.00 -1.26 -0.82 116.66 116.29 3dd6 n ARG 68 Ca 0.22 -3.07 0.17 0.00 -0.00 0.00 0.00 57.85 55.18 3dd6 n ARG 68 Cb 0.58 -2.08 0.74 0.00 0.00 0.00 0.00 32.46 31.70 3dd6 n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3dd6 h ALA 69 N 1.11 2.14 -2.60 5.13 0.00 -0.99 -3.45 119.26 120.61 3dd6 h ALA 69 Ca 0.50 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.84 3dd6 h ALA 69 Cb 2.50 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 20.24 3dd6 h ALA 69 CO 0.88 -0.42 -0.57 0.95 0.00 0.00 0.00 179.25 180.09 3dd6 s THR 70 N -4.85 4.35 0.15 0.00 -4.23 -1.26 -0.86 115.64 108.94 3dd6 s THR 70 Ca -0.05 -1.22 -0.17 0.00 -1.18 0.00 0.00 61.69 59.07 3dd6 s THR 70 Cb 0.17 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.78 3dd6 s THR 70 CO 0.64 -0.17 1.74 -0.33 -0.54 0.00 0.00 174.62 175.96 3dd6 h GLU 71 N 2.22 0.20 -5.51 3.99 5.08 -1.86 -3.38 114.58 115.33 3dd6 h GLU 71 Ca -0.48 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.27 3dd6 h GLU 71 Cb 1.21 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 3dd6 h GLU 71 CO 0.62 0.13 -0.01 -0.65 -1.00 0.00 0.00 179.01 178.10 3dd6 s GLN 72 N -6.17 4.16 0.25 2.33 -0.21 -1.26 -5.05 119.66 113.72 3dd6 s GLN 72 Ca -0.13 0.41 -0.31 0.00 0.02 0.00 0.00 55.36 55.36 3dd6 s GLN 72 Cb 0.12 -3.58 -0.14 0.00 1.00 0.00 0.00 33.01 30.41 3dd6 s GLN 72 CO 0.71 -0.21 1.30 -2.13 -2.12 0.00 0.00 175.29 172.84 3dd6 n ARG 73 N 5.00 1.82 -3.69 2.91 0.63 -1.26 -4.92 116.66 117.14 3dd6 n ARG 73 Ca -0.04 0.65 -0.36 0.00 -0.92 0.00 0.00 57.85 57.17 3dd6 n ARG 73 Cb 0.50 -2.23 -0.06 0.00 0.45 0.00 0.00 32.46 31.13 3dd6 n ARG 73 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3dd6 s THR 74 N -0.38 5.25 0.19 5.15 -4.23 0.00 -5.02 115.64 116.60 3dd6 s THR 74 Ca 0.66 0.42 -0.32 0.00 -1.18 0.00 0.00 61.69 61.27 3dd6 s THR 74 Cb -0.68 -3.58 -0.11 0.00 1.34 0.00 0.00 72.50 69.47 3dd6 s THR 74 CO 0.53 0.49 1.68 -0.63 -0.54 0.00 0.00 174.62 176.15 3dd6 s ILE 75 N -1.17 2.23 0.27 2.99 -1.09 -1.26 -4.54 121.20 118.62 3dd6 s ILE 75 Ca 0.24 0.15 -0.30 0.00 -2.23 0.00 0.00 60.65 58.51 3dd6 s ILE 75 Cb -0.14 -3.10 -0.11 0.00 -1.58 0.00 0.00 42.46 37.53 3dd6 s ILE 75 CO 0.12 0.01 1.58 -0.60 -1.23 0.00 0.00 174.94 174.82 3dd6 s ARG 76 N 1.21 4.15 -0.97 2.79 3.52 -1.26 -4.92 118.95 123.47 3dd6 s ARG 76 Ca 0.73 2.52 -0.22 0.00 -0.13 0.00 0.00 55.73 58.63 3dd6 s ARG 76 Cb -0.48 -3.05 0.07 0.00 -1.56 0.00 0.00 34.95 29.93 3dd6 s ARG 76 CO 0.32 -0.61 1.35 -1.21 -0.81 0.00 0.00 175.30 174.34 3dd6 s GLU 77 N -0.20 3.55 -0.17 5.12 2.02 -1.26 -4.20 118.70 123.56 3dd6 s GLU 77 Ca 0.64 -1.19 0.15 0.00 0.02 0.00 0.00 54.97 54.59 3dd6 s GLU 77 Cb -0.47 -5.14 -0.21 0.00 0.10 0.00 0.00 34.13 28.41 3dd6 s GLU 77 CO 0.44 -2.10 0.04 -1.13 0.02 0.00 0.00 175.26 172.54 3dd6 n SER 78 N 8.38 0.82 0.00 -0.19 3.41 -1.26 -4.88 113.62 119.90 3dd6 n SER 78 Ca 0.28 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 3dd6 n SER 78 Cb 0.50 0.85 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 3dd6 n SER 78 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dd6 n SER 79 N -2.67 0.00 -1.10 4.04 3.41 -1.26 -5.02 113.62 111.02 3dd6 n SER 79 Ca -0.29 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.34 3dd6 n SER 79 Cb 1.05 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 65.00 3dd6 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dd6 n GLY 81 N 0.00 -3.64 3.65 5.00 0.00 -1.26 -4.93 105.19 104.01 3dd6 n GLY 81 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 3dd6 n GLY 81 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dd6 s LYS 82 N -4.88 0.08 -0.09 1.61 2.47 -1.26 -5.03 119.74 112.65 3dd6 s LYS 82 Ca 0.00 0.08 -0.30 0.00 -1.56 0.00 0.00 55.97 54.19 3dd6 s LYS 82 Cb 0.00 0.04 -0.03 0.00 -1.46 0.00 0.00 37.83 36.38 3dd6 s LYS 82 CO 0.00 -0.01 1.34 0.08 0.16 0.00 0.00 175.35 176.91 3dd6 s VAL 83 N -0.17 4.04 0.56 4.02 1.01 -1.26 -4.70 120.40 123.90 3dd6 s VAL 83 Ca 0.07 1.33 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 3dd6 s VAL 83 Cb -0.04 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3dd6 s VAL 83 CO -0.14 -0.06 1.03 0.42 0.00 0.00 0.00 175.10 176.35 3dd6 s THR 84 N 3.03 4.02 0.39 3.92 -4.23 -1.26 -4.94 115.64 116.57 3dd6 s THR 84 Ca 0.60 0.99 0.08 0.00 -1.18 0.00 0.00 61.69 62.18 3dd6 s THR 84 Cb -0.26 -3.49 0.29 0.00 1.34 0.00 0.00 72.50 70.38 3dd6 s THR 84 CO 0.21 -0.53 1.99 1.23 -0.54 0.00 0.00 174.62 176.98 3dd6 h GLY 85 N 0.69 0.76 0.95 3.99 0.00 -1.99 -1.77 103.07 105.70 3dd6 h GLY 85 Ca -0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 3dd6 h GLY 85 CO 0.59 0.19 0.03 -0.09 0.00 0.00 0.00 176.54 177.26 3dd6 h ARG 86 N 0.62 0.07 -0.59 4.80 2.43 -1.99 -0.23 114.38 119.49 3dd6 h ARG 86 Ca 0.26 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 3dd6 h ARG 86 Cb 0.23 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.72 3dd6 h ARG 86 CO -0.08 0.11 0.32 1.15 -1.51 0.00 0.00 179.97 179.96 3dd6 h THR 87 N 0.02 0.98 -0.53 0.20 2.02 -1.85 -1.16 112.91 112.59 3dd6 h THR 87 Ca 0.02 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 3dd6 h THR 87 Cb 0.05 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3dd6 h THR 87 CO -0.00 0.11 0.23 0.24 0.37 0.00 0.00 175.52 176.47 3dd6 h MET 88 N 0.62 0.78 -0.36 6.66 2.86 -0.91 -0.56 114.93 124.02 3dd6 h MET 88 Ca 0.26 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3dd6 h MET 88 Cb 0.13 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3dd6 h MET 88 CO -0.16 0.66 0.19 1.49 1.06 0.00 0.00 176.91 180.16 3dd6 h GLU 89 N 0.71 0.50 -0.40 1.72 4.81 -0.85 -2.30 114.58 118.77 3dd6 h GLU 89 Ca 0.18 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3dd6 h GLU 89 Cb 0.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3dd6 h GLU 89 CO -0.02 0.42 0.24 0.82 -0.73 0.00 0.00 179.01 179.74 3dd6 h ILE 90 N 0.45 1.13 -0.61 2.32 2.04 -0.97 -0.68 117.51 121.19 3dd6 h ILE 90 Ca 0.13 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.74 3dd6 h ILE 90 Cb 0.07 0.60 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3dd6 h ILE 90 CO -0.02 0.13 0.34 1.56 0.00 0.00 0.00 178.15 180.16 3dd6 h GLN 91 N 0.53 0.63 -0.55 2.37 4.20 -1.01 -1.41 115.11 119.86 3dd6 h GLN 91 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3dd6 h GLN 91 Cb -0.00 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3dd6 h GLN 91 CO -0.03 0.41 0.34 0.00 -0.67 0.00 0.00 178.83 178.89 3dd6 h ARG 92 N 0.64 0.74 -0.34 1.46 3.08 -1.01 -2.01 114.38 116.95 3dd6 h ARG 92 Ca 0.27 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.27 3dd6 h ARG 92 Cb 0.13 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3dd6 h ARG 92 CO -0.16 0.52 0.21 1.25 -1.07 0.00 0.00 179.97 180.72 3dd6 h LEU 93 N 0.74 0.34 -0.24 3.04 5.85 -0.71 -0.70 115.31 123.64 3dd6 h LEU 93 Ca 0.20 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 3dd6 h LEU 93 Cb -0.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3dd6 h LEU 93 CO -0.04 0.25 -0.09 0.40 -0.34 0.00 0.00 178.44 178.62 3dd6 h ILE 94 N 0.42 1.29 -0.37 4.05 2.04 -1.12 -1.01 117.51 122.82 3dd6 h ILE 94 Ca 0.13 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 3dd6 h ILE 94 Cb -0.02 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3dd6 h ILE 94 CO -0.05 0.35 0.10 1.23 0.00 0.00 0.00 178.15 179.77 3dd6 h GLY 95 N 0.20 0.64 1.01 5.37 0.00 -1.30 -1.93 103.07 107.06 3dd6 h GLY 95 Ca 0.06 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3dd6 h GLY 95 CO 0.03 0.37 0.45 3.21 0.00 0.00 0.00 176.54 180.60 3dd6 h ARG 96 N 0.46 1.00 0.03 4.80 3.08 -1.03 -0.88 114.38 121.84 3dd6 h ARG 96 Ca 0.12 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3dd6 h ARG 96 Cb 0.29 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3dd6 h ARG 96 CO 0.00 0.71 -0.01 0.00 -1.07 0.00 0.00 179.97 179.60 3dd6 h ALA 97 N 1.24 -0.04 -0.60 0.04 0.00 -0.98 -2.58 119.26 116.34 3dd6 h ALA 97 Ca 0.27 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3dd6 h ALA 97 Cb -0.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3dd6 h ALA 97 CO -0.05 -0.43 -0.01 -0.07 0.00 0.00 0.00 179.25 178.69 3dd6 h LEU 98 N -0.21 1.04 -1.39 0.00 3.38 -1.30 -2.86 115.31 113.97 3dd6 h LEU 98 Ca -0.00 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.71 3dd6 h LEU 98 Cb 0.20 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3dd6 h LEU 98 CO 0.01 1.09 0.45 0.03 0.09 0.00 0.00 178.44 180.11 3dd6 h ARG 99 N 0.97 0.75 -0.02 1.13 3.08 -1.09 -2.21 114.38 116.99 3dd6 h ARG 99 Ca 0.17 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3dd6 h ARG 99 Cb 0.56 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3dd6 h ARG 99 CO 0.03 0.49 -0.06 0.00 -1.07 0.00 0.00 179.97 179.36 3dd6 h ALA 100 N 1.61 1.86 -0.11 0.04 0.00 -1.22 -2.79 119.26 118.65 3dd6 h ALA 100 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3dd6 h ALA 100 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dd6 h ALA 100 CO -0.08 0.11 0.00 1.33 0.00 0.00 0.00 179.25 180.60 3dd6 n VAL 101 N -4.45 0.13 -3.49 0.00 0.24 -0.85 -4.92 118.33 104.99 3dd6 n VAL 101 Ca -0.03 -0.57 -0.38 0.00 -2.04 0.00 0.00 64.34 61.33 3dd6 n VAL 101 Cb 0.15 1.33 -0.06 0.00 -1.47 0.00 0.00 33.84 33.79 3dd6 n VAL 101 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3dd6 s VAL 102 N -1.72 5.16 -0.87 3.34 1.01 -1.06 -0.26 120.40 126.01 3dd6 s VAL 102 Ca 0.28 0.76 -0.25 0.00 0.00 0.00 0.00 61.98 62.77 3dd6 s VAL 102 Cb 0.19 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3dd6 s VAL 102 CO 0.28 0.48 1.44 -0.62 0.00 0.00 0.00 175.10 176.67 3dd6 s ASP 103 N -0.33 6.19 0.37 3.32 -1.08 0.22 -4.85 116.67 120.52 3dd6 s ASP 103 Ca 0.22 -0.87 0.12 0.00 -0.52 0.00 0.00 52.55 51.50 3dd6 s ASP 103 Cb -0.15 -2.56 0.73 0.00 -1.46 0.00 0.00 42.92 39.47 3dd6 s ASP 103 CO 0.10 -1.78 1.83 -0.07 0.52 0.00 0.00 175.17 175.77 3dd6 h LEU 104 N 13.45 0.02 -0.47 -1.34 3.38 -1.90 -1.01 115.31 127.44 3dd6 h LEU 104 Ca -0.04 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3dd6 h LEU 104 Cb 1.04 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3dd6 h LEU 104 CO 1.34 0.37 -0.06 -0.33 0.09 0.00 0.00 178.44 179.85 3dd6 h GLU 105 N 0.02 0.87 -0.02 1.13 5.08 -1.89 -0.30 114.58 119.46 3dd6 h GLU 105 Ca -0.00 -0.31 -0.14 0.00 -1.00 0.00 0.00 59.36 57.91 3dd6 h GLU 105 Cb 0.64 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3dd6 h GLU 105 CO 0.05 0.95 -0.62 0.00 -1.00 0.00 0.00 179.01 178.39 3dd6 h ALA 106 N 0.90 0.93 -0.40 3.43 0.00 -1.76 -2.09 119.26 120.27 3dd6 h ALA 106 Ca 0.13 -0.56 0.06 0.00 0.00 0.00 0.00 54.91 54.54 3dd6 h ALA 106 Cb 0.59 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3dd6 h ALA 106 CO 0.04 0.76 0.27 1.25 0.00 0.00 0.00 179.25 181.57 3dd6 h LEU 107 N 0.06 0.26 0.00 0.00 5.85 -1.16 -3.44 115.31 116.88 3dd6 h LEU 107 Ca -0.01 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3dd6 h LEU 107 Cb 1.10 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3dd6 h LEU 107 CO 0.09 0.17 -0.05 0.61 -0.34 0.00 0.00 178.44 178.91 3dd6 n GLY 108 N -1.53 -2.17 3.57 3.75 0.00 -0.79 -4.57 105.19 103.45 3dd6 n GLY 108 Ca 0.05 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 3dd6 n GLY 108 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dd6 s GLU 109 N -0.93 3.52 0.02 1.61 2.12 -1.25 -1.43 118.70 122.36 3dd6 s GLU 109 Ca 0.00 -1.28 -0.16 0.00 0.36 0.00 0.00 54.97 53.89 3dd6 s GLU 109 Cb 0.00 -5.37 0.03 0.00 0.26 0.00 0.00 34.13 29.05 3dd6 s GLU 109 CO 0.00 -2.47 0.34 1.03 -0.54 0.00 0.00 175.26 173.63 3dd6 s ARG 110 N 5.09 0.81 -0.12 4.30 0.52 -1.26 -4.04 118.95 124.24 3dd6 s ARG 110 Ca 0.52 -0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.36 3dd6 s ARG 110 Cb 0.00 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 3dd6 s ARG 110 CO -0.02 -0.25 -0.07 0.99 0.02 0.00 0.00 175.30 175.96 3dd6 s THR 111 N -2.15 3.61 -0.40 0.02 2.01 -0.18 -1.67 115.64 116.87 3dd6 s THR 111 Ca -0.08 -0.48 -0.21 0.00 0.31 0.00 0.00 61.69 61.23 3dd6 s THR 111 Cb -0.02 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.98 3dd6 s THR 111 CO -0.01 0.54 0.68 -0.69 -0.69 0.00 0.00 174.62 174.45 3dd6 s VAL 112 N -0.03 4.81 -0.33 3.82 1.01 0.00 -1.22 120.40 128.45 3dd6 s VAL 112 Ca -0.00 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.19 3dd6 s VAL 112 Cb -0.14 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.07 3dd6 s VAL 112 CO 0.03 -0.49 0.73 0.26 0.00 0.00 0.00 175.10 175.63 3dd6 s TRP 113 N 2.89 3.17 -0.24 5.22 0.52 0.57 -0.97 118.94 130.10 3dd6 s TRP 113 Ca 0.26 0.61 -0.09 0.00 0.02 0.00 0.00 56.10 56.90 3dd6 s TRP 113 Cb -0.14 -3.21 -0.04 0.00 -1.15 0.00 0.00 33.47 28.94 3dd6 s TRP 113 CO 0.18 -0.60 0.11 0.42 0.02 0.00 0.00 176.95 177.07 3dd6 s ILE 114 N 2.88 4.76 -0.14 2.03 -1.09 -0.14 -0.32 121.20 129.18 3dd6 s ILE 114 Ca 0.29 -0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 3dd6 s ILE 114 Cb -0.14 -3.22 -0.01 0.00 -1.58 0.00 0.00 42.46 37.51 3dd6 s ILE 114 CO 0.14 0.34 -0.15 -1.81 -1.23 0.00 0.00 174.94 172.23 3dd6 s ASP 115 N 1.36 3.74 -0.34 3.58 1.01 -0.01 -0.48 116.67 125.53 3dd6 s ASP 115 Ca 0.06 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 52.93 3dd6 s ASP 115 Cb -0.15 -1.57 0.10 0.00 1.01 0.00 0.00 42.92 42.31 3dd6 s ASP 115 CO 0.05 0.12 0.05 0.00 0.21 0.00 0.00 175.17 175.60 3dd6 s ASP 117 N 0.99 5.07 -0.23 0.00 1.01 0.12 -1.45 116.67 122.18 3dd6 s ASP 117 Ca 0.09 -0.67 -0.27 0.00 0.71 0.00 0.00 52.55 52.40 3dd6 s ASP 117 Cb -0.19 -1.87 0.00 0.00 1.01 0.00 0.00 42.92 41.87 3dd6 s ASP 117 CO -0.07 -0.17 0.96 -0.69 0.21 0.00 0.00 175.17 175.40 3dd6 s VAL 118 N 1.50 4.74 -0.06 -1.27 1.01 0.56 -0.45 120.40 126.42 3dd6 s VAL 118 Ca 0.03 1.85 0.19 0.00 0.00 0.00 0.00 61.98 64.06 3dd6 s VAL 118 Cb -0.17 -4.24 -0.29 0.00 0.00 0.00 0.00 36.38 31.68 3dd6 s VAL 118 CO 0.02 -0.14 0.36 2.30 0.00 0.00 0.00 175.10 177.64 3dd6 n ILE 119 N 5.29 0.29 -3.75 2.22 -5.35 0.06 -1.52 119.36 116.59 3dd6 n ILE 119 Ca 0.10 -0.53 -0.13 0.00 -0.27 0.00 0.00 62.75 61.91 3dd6 n ILE 119 Cb 0.47 -0.08 -0.13 0.00 -1.74 0.00 0.00 39.64 38.15 3dd6 n ILE 119 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3dd6 s GLN 120 N -3.18 0.20 -0.16 6.28 0.74 -0.92 -4.12 119.66 118.50 3dd6 s GLN 120 Ca -0.08 0.44 0.02 0.00 0.05 0.00 0.00 55.36 55.79 3dd6 s GLN 120 Cb 0.11 -0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.17 3dd6 s GLN 120 CO 0.82 -0.13 -0.21 0.00 -0.55 0.00 0.00 175.29 175.23 3dd6 s ALA 121 N 0.94 2.30 -0.33 1.58 0.00 -0.04 -0.14 121.76 126.07 3dd6 s ALA 121 Ca -0.07 -1.15 0.17 0.00 0.00 0.00 0.00 51.96 50.91 3dd6 s ALA 121 Cb -0.08 -1.10 0.45 0.00 0.00 0.00 0.00 23.12 22.39 3dd6 s ALA 121 CO -0.06 -0.18 1.03 -3.47 0.00 0.00 0.00 175.76 173.09 3dd6 n ASP 122 N 4.32 0.84 0.00 0.00 2.03 -1.26 -4.67 116.55 117.82 3dd6 n ASP 122 Ca -0.20 -2.64 0.00 0.00 0.52 0.00 0.00 54.79 52.47 3dd6 n ASP 122 Cb 0.51 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 3dd6 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3dd6 n GLY 123 N -0.18 -1.00 2.21 0.27 0.00 -1.26 -1.90 105.19 103.32 3dd6 n GLY 123 Ca 0.07 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 3dd6 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dd6 n GLY 124 N -0.11 0.63 0.33 -0.02 0.00 -1.25 -4.75 105.19 100.02 3dd6 n GLY 124 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 3dd6 n GLY 124 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dd6 h THR 125 N 0.00 1.26 -0.28 2.61 1.35 -1.94 -0.00 112.91 115.91 3dd6 h THR 125 Ca -0.18 -0.88 -0.13 0.00 -0.55 0.00 0.00 66.41 64.67 3dd6 h THR 125 Cb 0.78 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 3dd6 h THR 125 CO 0.25 0.35 -0.35 0.08 -0.25 0.00 0.00 175.52 175.60 3dd6 h ARG 126 N 1.12 0.61 0.15 4.72 0.11 -1.98 -0.28 114.38 118.84 3dd6 h ARG 126 Ca 0.25 -0.29 -0.29 0.00 0.10 0.00 0.00 59.98 59.76 3dd6 h ARG 126 Cb 0.27 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.36 3dd6 h ARG 126 CO -0.01 0.87 -1.29 1.79 0.10 0.00 0.00 179.97 181.43 3dd6 h THR 127 N 0.51 1.46 -0.87 0.08 1.35 -1.88 -2.22 112.91 111.34 3dd6 h THR 127 Ca 0.05 -2.98 0.05 0.00 -0.55 0.00 0.00 66.41 62.98 3dd6 h THR 127 Cb 0.85 2.96 -0.06 0.00 -1.73 0.00 0.00 68.15 70.17 3dd6 h THR 127 CO 0.07 0.87 0.55 0.00 -0.25 0.00 0.00 175.52 176.77 3dd6 h ALA 128 N 0.50 1.17 -0.61 6.62 0.00 -0.95 -1.43 119.26 124.55 3dd6 h ALA 128 Ca -0.16 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3dd6 h ALA 128 Cb 2.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 3dd6 h ALA 128 CO 0.22 0.35 0.39 0.77 0.00 0.00 0.00 179.25 180.98 3dd6 h SER 129 N 1.04 0.67 -0.41 0.00 0.02 -0.95 0.27 113.55 114.18 3dd6 h SER 129 Ca 0.36 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 61.19 3dd6 h SER 129 Cb 0.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3dd6 h SER 129 CO -0.14 0.48 -0.16 0.40 -1.14 0.00 0.00 176.83 176.27 3dd6 h ILE 130 N 0.80 1.28 -0.28 3.27 2.04 -0.93 -0.60 117.51 123.09 3dd6 h ILE 130 Ca 0.23 -1.28 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3dd6 h ILE 130 Cb -0.06 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3dd6 h ILE 130 CO -0.07 0.43 0.16 0.74 0.00 0.00 0.00 178.15 179.42 3dd6 h THR 131 N 0.65 1.03 -0.29 -0.27 2.02 -0.92 -0.32 112.91 114.82 3dd6 h THR 131 Ca 0.10 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 3dd6 h THR 131 Cb 0.70 0.67 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3dd6 h THR 131 CO 0.05 0.06 -0.27 1.23 0.37 0.00 0.00 175.52 176.96 3dd6 h GLY 132 N 0.34 0.75 1.39 2.16 0.00 -0.94 -3.26 103.07 103.52 3dd6 h GLY 132 Ca 0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 3dd6 h GLY 132 CO -0.05 0.69 0.03 0.00 0.00 0.00 0.00 176.54 177.21 3dd6 h ALA 133 N 0.71 1.18 -0.48 3.60 0.00 -1.00 -1.52 119.26 121.74 3dd6 h ALA 133 Ca 0.05 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3dd6 h ALA 133 Cb 0.84 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 3dd6 h ALA 133 CO 0.07 0.54 0.05 -0.92 0.00 0.00 0.00 179.25 178.99 3dd6 h TYR 134 N 0.71 0.06 -0.31 0.00 3.20 -1.09 0.87 116.97 120.41 3dd6 h TYR 134 Ca 0.15 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3dd6 h TYR 134 Cb 0.39 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3dd6 h TYR 134 CO 0.02 -0.06 0.05 0.28 -1.64 0.00 0.00 178.16 176.81 3dd6 h VAL 135 N 0.17 1.23 -0.29 1.81 2.07 -1.47 -0.57 116.25 119.20 3dd6 h VAL 135 Ca 0.24 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 67.00 3dd6 h VAL 135 Cb 0.34 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3dd6 h VAL 135 CO -0.36 0.27 0.06 0.00 0.02 0.00 0.00 177.57 177.56 3dd6 h ALA 136 N 0.88 0.31 -0.68 1.67 0.00 -1.05 0.13 119.26 120.51 3dd6 h ALA 136 Ca 0.09 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3dd6 h ALA 136 Cb 0.34 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 3dd6 h ALA 136 CO 0.01 -0.35 0.34 1.98 0.00 0.00 0.00 179.25 181.23 3dd6 h MET 137 N 0.17 0.58 -0.34 0.00 -1.53 -0.63 -1.21 114.93 111.97 3dd6 h MET 137 Ca 0.14 -0.03 -0.14 0.00 -3.44 0.00 0.00 59.70 56.22 3dd6 h MET 137 Cb 0.14 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 3dd6 h MET 137 CO -0.18 0.38 -0.35 0.28 0.14 0.00 0.00 176.91 177.19 3dd6 h VAL 138 N 0.60 1.28 -0.63 -5.77 2.07 -0.27 0.42 116.25 113.95 3dd6 h VAL 138 Ca 0.33 -1.51 0.05 0.00 0.82 0.00 0.00 66.70 66.39 3dd6 h VAL 138 Cb 0.32 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3dd6 h VAL 138 CO -0.25 0.50 0.36 -0.07 0.02 0.00 0.00 177.57 178.13 3dd6 h LEU 139 N 0.65 0.55 -0.68 2.57 3.38 -0.46 0.37 115.31 121.70 3dd6 h LEU 139 Ca 0.06 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dd6 h LEU 139 Cb 0.89 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3dd6 h LEU 139 CO 0.08 0.37 0.41 0.00 0.09 0.00 0.00 178.44 179.38 3dd6 h ALA 140 N 1.31 0.86 -0.35 1.53 0.00 -0.85 -2.62 119.26 119.14 3dd6 h ALA 140 Ca 0.27 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3dd6 h ALA 140 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3dd6 h ALA 140 CO -0.15 0.34 -0.02 0.74 0.00 0.00 0.00 179.25 180.16 3dd6 h PHE 141 N 0.92 0.59 -0.66 0.00 0.04 0.00 -2.09 116.94 115.74 3dd6 h PHE 141 Ca 0.24 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 3dd6 h PHE 141 Cb -0.02 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 3dd6 h PHE 141 CO -0.01 0.58 0.32 1.49 -0.60 0.00 0.00 178.31 180.09 3dd6 h GLU 142 N 0.53 0.94 -0.63 1.51 4.57 -0.00 -1.75 114.58 119.76 3dd6 h GLU 142 Ca 0.11 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3dd6 h GLU 142 Cb 0.37 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 3dd6 h GLU 142 CO 0.01 0.75 0.32 0.87 -1.18 0.00 0.00 179.01 179.78 3dd6 h LYS 143 N 0.91 0.90 -0.47 1.92 1.57 -1.09 -1.48 116.57 118.82 3dd6 h LYS 143 Ca 0.23 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3dd6 h LYS 143 Cb 0.11 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3dd6 h LYS 143 CO -0.03 0.71 0.24 -0.07 -0.57 0.00 0.00 179.45 179.73 3dd6 h LEU 144 N 0.86 0.36 -0.50 2.94 3.38 -1.21 -1.36 115.31 119.79 3dd6 h LEU 144 Ca 0.22 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3dd6 h LEU 144 Cb 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dd6 h LEU 144 CO -0.03 0.25 0.32 0.25 0.09 0.00 0.00 178.44 179.32 3dd6 h LEU 145 N 0.48 0.58 -1.51 1.67 5.85 -1.08 -0.49 115.31 120.81 3dd6 h LEU 145 Ca 0.20 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3dd6 h LEU 145 Cb 0.10 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3dd6 h LEU 145 CO -0.14 0.44 -0.24 1.56 -0.34 0.00 0.00 178.44 179.72 3dd6 h GLN 146 N 0.67 0.01 -0.00 1.25 1.08 -1.04 -1.44 115.11 115.63 3dd6 h GLN 146 Ca 0.18 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3dd6 h GLN 146 Cb -0.05 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3dd6 h GLN 146 CO -0.04 0.24 -0.04 0.00 -0.95 0.00 0.00 178.83 178.04 3dd6 n ALA 147 N -2.49 2.67 -2.13 3.87 0.00 -0.53 -4.92 120.51 116.98 3dd6 n ALA 147 Ca -0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.01 3dd6 n ALA 147 Cb 0.29 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 3dd6 n ALA 147 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dd6 n GLU 148 N -0.84 -1.14 0.00 0.00 1.02 -0.54 -4.90 120.64 114.24 3dd6 n GLU 148 Ca 0.18 0.76 0.11 0.00 -0.02 0.00 0.00 57.16 58.20 3dd6 n GLU 148 Cb 0.23 -5.04 0.09 0.00 -0.02 0.00 0.00 31.44 26.70 3dd6 n GLU 148 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3dd6 n LYS 149 N -2.43 0.85 -3.87 3.49 5.02 -0.28 -4.88 118.16 116.04 3dd6 n LYS 149 Ca -0.17 -0.65 -0.09 0.00 -2.02 0.00 0.00 58.31 55.38 3dd6 n LYS 149 Cb 0.61 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 34.05 3dd6 n LYS 149 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3dd6 s VAL 150 N -2.60 0.14 -0.56 -0.18 -7.23 -1.25 -4.96 120.40 103.77 3dd6 s VAL 150 Ca 0.18 -1.13 0.23 0.00 -1.81 0.00 0.00 61.98 59.44 3dd6 s VAL 150 Cb 0.18 -1.21 -0.15 0.00 0.56 0.00 0.00 36.38 35.75 3dd6 s VAL 150 CO 0.61 -0.63 0.93 -1.54 -0.31 0.00 0.00 175.10 174.17 3dd6 n SER 151 N 0.19 0.58 -3.81 4.85 3.41 -1.26 -4.53 113.62 113.05 3dd6 n SER 151 Ca -0.16 -0.25 -0.09 0.00 -0.26 0.00 0.00 58.87 58.10 3dd6 n SER 151 Cb 0.61 0.98 -0.05 0.00 -0.26 0.00 0.00 64.21 65.49 3dd6 n SER 151 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3dd6 s LYS 152 N -3.23 1.35 -0.08 4.33 -2.85 -1.26 -5.10 119.74 112.90 3dd6 s LYS 152 Ca 0.02 -0.96 -0.29 0.00 -1.00 0.00 0.00 55.97 53.74 3dd6 s LYS 152 Cb 0.14 0.49 -0.06 0.00 -2.06 0.00 0.00 37.83 36.34 3dd6 s LYS 152 CO 0.82 -0.56 1.87 0.42 0.10 0.00 0.00 175.35 178.00 3dd6 s ILE 153 N -3.90 3.29 -1.24 3.79 1.01 -1.26 -4.86 121.20 118.02 3dd6 s ILE 153 Ca 0.12 0.34 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 3dd6 s ILE 153 Cb -0.00 -3.26 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 3dd6 s ILE 153 CO -0.01 -0.07 3.00 -0.81 0.00 0.00 0.00 174.94 177.04 3dd6 n PRO 154 N 7.67 3.47 -4.72 2.79 -0.04 -1.26 -4.84 135.00 138.07 3dd6 n PRO 154 Ca 0.21 -2.17 -0.30 0.00 -0.04 0.00 0.00 63.50 61.19 3dd6 n PRO 154 Cb 0.43 -2.60 -0.13 0.00 -0.04 0.00 0.00 33.50 31.15 3dd6 n PRO 154 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dd6 s VAL 155 N 1.28 2.52 -0.60 0.52 -7.23 -1.26 -0.61 120.40 115.02 3dd6 s VAL 155 Ca 0.67 -1.30 0.24 0.00 -1.81 0.00 0.00 61.98 59.77 3dd6 s VAL 155 Cb 0.21 -2.04 -0.00 0.00 0.56 0.00 0.00 36.38 35.11 3dd6 s VAL 155 CO -0.06 0.33 1.21 0.29 -0.31 0.00 0.00 175.10 176.56 3dd6 n LYS 156 N 1.57 0.32 -3.83 4.82 5.02 0.64 -4.81 118.16 121.89 3dd6 n LYS 156 Ca -0.17 0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.21 3dd6 n LYS 156 Cb 0.52 -1.67 0.01 0.00 -0.02 0.00 0.00 35.03 33.87 3dd6 n LYS 156 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3dd6 s ASP 157 N -4.23 -0.02 0.54 4.39 3.68 -1.26 -5.02 116.67 114.74 3dd6 s ASP 157 Ca 0.05 -0.20 -0.17 0.00 2.13 0.00 0.00 52.55 54.36 3dd6 s ASP 157 Cb 0.13 0.17 -0.06 0.00 -1.45 0.00 0.00 42.92 41.71 3dd6 s ASP 157 CO 0.75 -0.33 1.02 -0.31 0.13 0.00 0.00 175.17 176.44 3dd6 s TYR 158 N -2.18 3.19 -0.10 -5.34 2.02 -1.26 -4.94 117.35 108.74 3dd6 s TYR 158 Ca 0.23 1.51 -0.05 0.00 -0.37 0.00 0.00 57.07 58.39 3dd6 s TYR 158 Cb 0.02 -2.92 0.05 0.00 -0.40 0.00 0.00 41.96 38.70 3dd6 s TYR 158 CO -0.02 -0.74 0.22 -1.17 -1.57 0.00 0.00 175.55 172.28 3dd6 s LEU 159 N -4.15 0.38 0.26 -1.29 2.96 -1.26 -2.00 118.68 113.58 3dd6 s LEU 159 Ca 0.62 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.98 3dd6 s LEU 159 Cb -0.13 0.63 -0.02 0.00 0.50 0.00 0.00 46.19 47.16 3dd6 s LEU 159 CO 0.32 -0.17 0.29 0.00 -1.32 0.00 0.00 176.35 175.46 3dd6 s ALA 160 N 1.41 0.95 0.03 5.97 0.00 -0.87 -4.74 121.76 124.50 3dd6 s ALA 160 Ca -0.08 -1.57 -0.14 0.00 0.00 0.00 0.00 51.96 50.17 3dd6 s ALA 160 Cb -0.11 1.30 0.02 0.00 0.00 0.00 0.00 23.12 24.33 3dd6 s ALA 160 CO -0.08 -0.69 0.30 0.00 0.00 0.00 0.00 175.76 175.28 3dd6 s ALA 161 N -3.79 -0.68 0.17 0.00 0.00 -1.26 -1.56 121.76 114.62 3dd6 s ALA 161 Ca 0.34 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.19 3dd6 s ALA 161 Cb 0.03 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.44 3dd6 s ALA 161 CO 0.16 -0.37 0.49 -0.08 0.00 0.00 0.00 175.76 175.96 3dd6 s THR 162 N -2.23 0.04 0.27 0.00 -1.32 -0.69 -4.61 115.64 107.10 3dd6 s THR 162 Ca -0.07 -0.60 0.03 0.00 -1.21 0.00 0.00 61.69 59.83 3dd6 s THR 162 Cb -0.02 -1.35 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 3dd6 s THR 162 CO -0.01 -0.17 0.43 -0.94 -2.21 0.00 0.00 174.62 171.71 3dd6 s SER 163 N -2.83 6.32 0.08 8.08 1.04 -1.26 -1.16 113.70 123.97 3dd6 s SER 163 Ca 0.06 0.24 -0.07 0.00 0.48 0.00 0.00 55.95 56.66 3dd6 s SER 163 Cb 0.00 -1.94 -0.01 0.00 0.10 0.00 0.00 66.02 64.17 3dd6 s SER 163 CO -0.07 -0.14 0.15 0.68 0.98 0.00 0.00 173.24 174.83 3dd6 s VAL 164 N -2.08 0.16 0.19 5.02 -7.23 0.09 -1.21 120.40 115.32 3dd6 s VAL 164 Ca 0.37 -1.31 -0.23 0.00 -1.81 0.00 0.00 61.98 59.00 3dd6 s VAL 164 Cb -0.09 -1.39 0.06 0.00 0.56 0.00 0.00 36.38 35.51 3dd6 s VAL 164 CO 0.32 -0.71 0.69 -0.83 -0.31 0.00 0.00 175.10 174.26 3dd6 s GLY 165 N -2.88 -0.40 -0.28 2.32 0.00 -0.32 -0.14 107.32 105.62 3dd6 s GLY 165 Ca 0.06 0.24 -0.05 0.00 0.00 0.00 0.00 44.72 44.96 3dd6 s GLY 165 CO -0.10 0.08 0.04 -0.42 0.00 0.00 0.00 173.10 172.69 3dd6 s ILE 166 N -3.72 3.66 -0.12 0.90 1.01 0.30 -0.88 121.20 122.35 3dd6 s ILE 166 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3dd6 s ILE 166 Cb -0.03 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.54 3dd6 s ILE 166 CO -0.05 0.11 -0.13 -0.69 0.00 0.00 0.00 174.94 174.18 3dd6 s VAL 167 N 1.45 3.08 -0.44 2.92 1.01 0.02 -1.05 120.40 127.40 3dd6 s VAL 167 Ca 0.02 -0.66 -0.40 0.00 0.00 0.00 0.00 61.98 60.93 3dd6 s VAL 167 Cb -0.17 -2.28 -0.17 0.00 0.00 0.00 0.00 36.38 33.76 3dd6 s VAL 167 CO 0.01 0.54 1.49 -0.62 0.00 0.00 0.00 175.10 176.51 3dd6 n GLU 168 N 3.30 0.00 -1.35 2.72 1.02 -1.10 -0.30 120.64 124.94 3dd6 n GLU 168 Ca -0.18 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.84 3dd6 n GLU 168 Cb 0.53 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.59 3dd6 n GLU 168 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3dd6 n GLU 169 N 4.11 -0.85 0.00 3.49 1.02 -1.26 -4.76 120.64 122.39 3dd6 n GLU 169 Ca 0.31 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 3dd6 n GLU 169 Cb -0.05 -4.93 0.00 0.00 -0.02 0.00 0.00 31.44 26.44 3dd6 n GLU 169 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3dd6 n GLN 170 N -2.61 3.39 0.00 3.49 6.02 0.59 -5.15 117.38 123.12 3dd6 n GLN 170 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 3dd6 n GLN 170 Cb 0.40 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 31.03 3dd6 n GLN 170 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dd6 n GLY 171 N 0.81 0.42 3.65 1.08 0.00 -0.74 -4.76 105.19 105.66 3dd6 n GLY 171 Ca 0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 3dd6 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dd6 s VAL 172 N 0.00 3.81 0.07 1.61 1.01 -1.26 -0.80 120.40 124.84 3dd6 s VAL 172 Ca 0.00 0.95 0.07 0.00 0.00 0.00 0.00 61.98 63.00 3dd6 s VAL 172 Cb 0.00 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3dd6 s VAL 172 CO 0.00 -0.18 -0.19 0.68 0.00 0.00 0.00 175.10 175.41 3dd6 s VAL 173 N 4.35 1.57 -0.06 2.92 -7.23 -0.06 -4.74 120.40 117.16 3dd6 s VAL 173 Ca 0.68 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 59.49 3dd6 s VAL 173 Cb -0.27 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.23 3dd6 s VAL 173 CO 0.26 0.04 0.10 -0.22 -0.31 0.00 0.00 175.10 174.96 3dd6 s LEU 174 N -1.52 4.08 -0.55 1.32 2.96 0.36 -1.18 118.68 124.15 3dd6 s LEU 174 Ca 0.05 0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 54.12 3dd6 s LEU 174 Cb -0.09 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.44 3dd6 s LEU 174 CO 0.03 0.34 0.64 -0.67 -1.32 0.00 0.00 176.35 175.36 3dd6 n ASP 175 N 1.58 -7.45 -4.73 3.68 2.03 -0.35 -4.67 116.55 106.64 3dd6 n ASP 175 Ca -0.16 0.19 -0.41 0.00 0.52 0.00 0.00 54.79 54.93 3dd6 n ASP 175 Cb 0.54 -4.72 -0.04 0.00 -0.72 0.00 0.00 41.12 36.17 3dd6 n ASP 175 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3dd6 s LEU 176 N -3.15 4.46 1.06 -2.67 1.02 -1.26 -4.75 118.68 113.39 3dd6 s LEU 176 Ca 0.18 1.66 -0.17 0.00 0.02 0.00 0.00 54.13 55.82 3dd6 s LEU 176 Cb -0.04 -3.48 0.23 0.00 0.02 0.00 0.00 46.19 42.92 3dd6 s LEU 176 CO 0.78 -0.08 1.21 0.54 0.02 0.00 0.00 176.35 178.82 3dd6 s ASN 177 N 0.19 2.18 0.08 2.29 2.20 -1.26 -3.95 114.94 116.68 3dd6 s ASN 177 Ca 0.45 0.51 -0.23 0.00 -0.94 0.00 0.00 52.86 52.65 3dd6 s ASN 177 Cb -0.22 -0.71 -0.15 0.00 -2.00 0.00 0.00 41.25 38.17 3dd6 s ASN 177 CO 0.27 -3.33 1.71 0.22 -2.94 0.00 0.00 177.10 173.03 3dd6 h TYR 178 N -2.05 -0.03 -0.64 1.54 3.20 -1.70 -0.62 116.97 116.68 3dd6 h TYR 178 Ca -0.45 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 61.55 3dd6 h TYR 178 Cb 1.27 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 39.44 3dd6 h TYR 178 CO -1.42 0.01 -0.00 0.00 -1.64 0.00 0.00 178.16 175.11 3dd6 h ALA 179 N 0.92 0.63 -0.42 1.82 0.00 -1.94 -0.59 119.26 119.67 3dd6 h ALA 179 Ca -0.00 0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3dd6 h ALA 179 Cb 0.05 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3dd6 h ALA 179 CO 0.00 -0.40 -0.25 0.93 0.00 0.00 0.00 179.25 179.53 3dd6 h GLU 180 N 0.11 0.89 0.00 0.00 5.08 -1.88 -2.92 114.58 115.86 3dd6 h GLU 180 Ca 0.34 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3dd6 h GLU 180 Cb 0.55 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3dd6 h GLU 180 CO -0.56 1.04 -0.45 0.22 -1.00 0.00 0.00 179.01 178.27 3dd6 h ASP 181 N 0.76 0.00 1.43 1.42 3.58 -0.70 -2.49 116.42 120.43 3dd6 h ASP 181 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3dd6 h ASP 181 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 3dd6 h ASP 181 CO 0.07 0.45 0.00 0.77 -2.88 0.00 0.00 179.24 177.65 3dd6 h SER 182 N 0.00 0.00 -0.21 2.28 4.64 -0.94 -2.58 113.55 116.74 3dd6 h SER 182 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 3dd6 h SER 182 Cb 0.82 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.85 3dd6 h SER 182 CO 0.06 0.00 -0.28 2.29 -0.87 0.00 0.00 176.83 178.03 3dd6 n LYS 183 N -2.76 1.77 -3.23 4.77 2.85 -1.14 -5.01 118.16 115.40 3dd6 n LYS 183 Ca 0.03 -3.27 -0.39 0.00 -1.05 0.00 0.00 58.31 53.63 3dd6 n LYS 183 Cb 0.40 -1.74 -0.06 0.00 -0.65 0.00 0.00 35.03 32.98 3dd6 n LYS 183 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3dd6 s ALA 184 N -3.26 3.45 0.18 0.58 0.00 -0.95 -2.70 121.76 119.06 3dd6 s ALA 184 Ca 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 3dd6 s ALA 184 Cb 0.39 -2.76 0.07 0.00 0.00 0.00 0.00 23.12 20.83 3dd6 s ALA 184 CO -0.03 -0.10 1.45 -0.44 0.00 0.00 0.00 175.76 176.64 3dd6 h ASP 185 N 6.85 0.53 -3.84 0.00 3.32 -1.37 -3.44 116.42 118.47 3dd6 h ASP 185 Ca -0.40 -0.33 -0.37 0.00 0.02 0.00 0.00 57.03 55.96 3dd6 h ASP 185 Cb 1.18 -0.15 -0.30 0.00 0.22 0.00 0.00 39.33 40.27 3dd6 h ASP 185 CO 0.76 1.05 -0.77 -0.69 -1.72 0.00 0.00 179.24 177.87 3dd6 s VAL 186 N -3.73 0.55 0.07 -1.35 1.01 -1.16 0.53 120.40 116.33 3dd6 s VAL 186 Ca -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.68 3dd6 s VAL 186 Cb 0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3dd6 s VAL 186 CO 0.84 0.17 -0.07 1.51 0.00 0.00 0.00 175.10 177.55 3dd6 s ASP 187 N 0.11 1.00 -0.13 3.32 3.84 -0.75 -0.54 116.67 123.52 3dd6 s ASP 187 Ca -0.01 -0.80 -0.12 0.00 -0.00 0.00 0.00 52.55 51.63 3dd6 s ASP 187 Cb -0.06 0.07 0.04 0.00 -1.38 0.00 0.00 42.92 41.59 3dd6 s ASP 187 CO -0.00 -0.35 0.35 -0.32 -0.00 0.00 0.00 175.17 174.85 3dd6 s MET 188 N -2.81 0.40 -0.15 2.11 1.75 0.80 -0.87 119.30 120.52 3dd6 s MET 188 Ca 0.02 0.52 -0.04 0.00 -1.25 0.00 0.00 55.69 54.94 3dd6 s MET 188 Cb -0.02 0.16 -0.03 0.00 2.84 0.00 0.00 34.83 37.78 3dd6 s MET 188 CO -0.02 -0.07 -0.02 -0.80 -0.65 0.00 0.00 175.02 173.46 3dd6 s ASN 189 N 0.38 4.97 -0.05 1.11 0.01 0.41 -0.73 114.94 121.04 3dd6 s ASN 189 Ca -0.02 -0.07 0.04 0.00 -0.71 0.00 0.00 52.86 52.10 3dd6 s ASN 189 Cb -0.04 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.85 3dd6 s ASN 189 CO -0.01 0.19 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.91 3dd6 s VAL 190 N 0.24 1.40 -0.19 1.60 1.01 -0.31 -1.27 120.40 122.89 3dd6 s VAL 190 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.29 3dd6 s VAL 190 Cb -0.14 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.07 3dd6 s VAL 190 CO 0.02 0.41 -0.08 -0.63 0.00 0.00 0.00 175.10 174.82 3dd6 s ILE 191 N 0.19 1.46 0.05 2.22 1.09 0.10 -1.70 121.20 124.60 3dd6 s ILE 191 Ca -0.07 -0.91 0.04 0.00 -1.10 0.00 0.00 60.65 58.61 3dd6 s ILE 191 Cb -0.13 -1.59 -0.02 0.00 -1.06 0.00 0.00 42.46 39.66 3dd6 s ILE 191 CO 0.03 0.13 -0.13 -0.04 -0.10 0.00 0.00 174.94 174.83 3dd6 s MET 192 N 1.47 0.81 0.67 2.79 -1.94 -0.60 -0.71 119.30 121.78 3dd6 s MET 192 Ca -0.01 -0.79 -0.04 0.00 -1.71 0.00 0.00 55.69 53.14 3dd6 s MET 192 Cb -0.16 -0.78 0.06 0.00 2.01 0.00 0.00 34.83 35.96 3dd6 s MET 192 CO -0.08 0.18 0.95 0.95 -0.01 0.00 0.00 175.02 177.01 3dd6 s THR 193 N -1.03 2.37 0.52 2.05 -4.23 0.10 -2.05 115.64 113.38 3dd6 s THR 193 Ca -0.01 -0.41 0.42 0.00 -1.18 0.00 0.00 61.69 60.51 3dd6 s THR 193 Cb -0.09 -2.96 0.44 0.00 1.34 0.00 0.00 72.50 71.22 3dd6 s THR 193 CO 0.01 0.00 2.28 1.23 -0.54 0.00 0.00 174.62 177.60 3dd6 h GLY 194 N -0.42 0.00 -1.99 3.99 0.00 -1.74 -1.57 103.07 101.34 3dd6 h GLY 194 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3dd6 h GLY 194 CO 0.55 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.37 3dd6 n LYS 195 N -3.08 2.33 -1.69 4.80 5.02 -1.26 -4.93 118.16 119.34 3dd6 n LYS 195 Ca -0.02 -1.91 -0.08 0.00 -2.02 0.00 0.00 58.31 54.28 3dd6 n LYS 195 Cb 0.13 -1.45 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 3dd6 n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dd6 n GLY 196 N 1.27 0.51 3.81 0.72 0.00 -0.59 -5.04 105.19 105.88 3dd6 n GLY 196 Ca 0.18 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 3dd6 n GLY 196 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dd6 s GLN 197 N -3.54 3.20 0.22 1.61 -1.52 -1.26 -4.88 119.66 113.50 3dd6 s GLN 197 Ca 0.00 -0.36 -0.18 0.00 -1.95 0.00 0.00 55.36 52.86 3dd6 s GLN 197 Cb 0.00 -2.97 -0.08 0.00 -0.22 0.00 0.00 33.01 29.74 3dd6 s GLN 197 CO 0.00 0.69 0.69 -0.06 -0.25 0.00 0.00 175.29 176.36 3dd6 s PHE 198 N -1.13 3.62 -0.10 0.91 0.08 -1.26 -0.72 117.98 119.38 3dd6 s PHE 198 Ca 0.20 1.31 0.05 0.00 0.12 0.00 0.00 56.93 58.62 3dd6 s PHE 198 Cb -0.12 -2.56 -0.10 0.00 -0.57 0.00 0.00 43.02 39.67 3dd6 s PHE 198 CO 0.11 0.34 -0.03 0.28 -0.10 0.00 0.00 175.22 175.82 3dd6 n VAL 199 N 0.65 0.65 -3.71 -0.44 0.31 0.11 -4.94 118.33 110.96 3dd6 n VAL 199 Ca -0.02 -0.33 -0.13 0.00 -0.01 0.00 0.00 64.34 63.84 3dd6 n VAL 199 Cb 0.51 -0.82 -0.10 0.00 -0.91 0.00 0.00 33.84 32.52 3dd6 n VAL 199 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3dd6 s GLU 200 N -2.23 0.52 -0.05 5.55 2.56 -1.09 -4.96 118.70 119.01 3dd6 s GLU 200 Ca -0.09 0.66 0.00 0.00 0.00 0.00 0.00 54.97 55.54 3dd6 s GLU 200 Cb 0.03 0.23 0.02 0.00 2.00 0.00 0.00 34.13 36.42 3dd6 s GLU 200 CO 0.33 -0.07 -0.02 0.08 -0.56 0.00 0.00 175.26 175.02 3dd6 s VAL 201 N 0.37 0.44 -0.19 3.70 1.01 -1.26 -0.73 120.40 123.75 3dd6 s VAL 201 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 3dd6 s VAL 201 Cb -0.04 -0.52 0.06 0.00 0.00 0.00 0.00 36.38 35.89 3dd6 s VAL 201 CO -0.01 0.23 0.08 -1.58 0.00 0.00 0.00 175.10 173.82 3dd6 s GLN 202 N 1.33 0.19 -0.04 2.72 0.74 -0.39 -5.02 119.66 119.19 3dd6 s GLN 202 Ca -0.05 -0.20 0.07 0.00 0.05 0.00 0.00 55.36 55.23 3dd6 s GLN 202 Cb -0.13 -1.82 -0.02 0.00 1.10 0.00 0.00 33.01 32.14 3dd6 s GLN 202 CO -0.02 -0.70 -0.24 0.20 -0.55 0.00 0.00 175.29 173.97 3dd6 s GLY 203 N 2.08 1.31 -0.07 2.59 0.00 -1.26 -0.44 107.32 111.52 3dd6 s GLY 203 Ca 0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 3dd6 s GLY 203 CO -0.12 -0.81 -0.02 -1.59 0.00 0.00 0.00 173.10 170.57 3dd6 s THR 204 N -0.47 0.49 0.02 0.90 2.01 -0.04 -5.01 115.64 113.54 3dd6 s THR 204 Ca 0.06 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 3dd6 s THR 204 Cb -0.11 -0.61 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 3dd6 s THR 204 CO 0.01 0.27 1.25 -0.83 -0.69 0.00 0.00 174.62 174.63 3dd6 s GLY 205 N 1.77 2.18 -0.52 4.40 0.00 -1.26 -1.80 107.32 112.09 3dd6 s GLY 205 Ca 0.03 0.80 -0.11 0.00 0.00 0.00 0.00 44.72 45.43 3dd6 s GLY 205 CO -0.05 2.20 0.42 -0.54 0.00 0.00 0.00 173.10 175.14 3dd6 s GLU 206 N 1.69 2.71 -1.87 2.90 0.41 0.19 -4.33 118.70 120.39 3dd6 s GLU 206 Ca 0.59 -1.82 0.00 0.00 -0.41 0.00 0.00 54.97 53.33 3dd6 s GLU 206 Cb -0.29 -4.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.00 3dd6 s GLU 206 CO 0.26 -1.24 0.00 -1.91 -0.49 0.00 0.00 175.26 171.88 3dd6 n GLU 207 N 4.90 -1.41 -3.86 1.61 4.07 -1.26 -4.72 120.64 119.97 3dd6 n GLU 207 Ca -0.08 1.07 -0.05 0.00 -0.06 0.00 0.00 57.16 58.04 3dd6 n GLU 207 Cb 0.41 -5.49 0.02 0.00 -0.06 0.00 0.00 31.44 26.32 3dd6 n GLU 207 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dd6 s ALA 208 N -2.81 -1.25 0.16 4.31 0.00 -1.26 -5.14 121.76 115.76 3dd6 s ALA 208 Ca 0.00 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3dd6 s ALA 208 Cb 0.00 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 3dd6 s ALA 208 CO 0.00 -1.03 0.03 0.95 0.00 0.00 0.00 175.76 175.70 3dd6 s THR 209 N -2.17 0.43 0.02 0.00 -4.23 -1.26 -4.37 115.64 104.06 3dd6 s THR 209 Ca 0.20 -1.95 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3dd6 s THR 209 Cb -0.04 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 3dd6 s THR 209 CO 0.08 -0.45 -0.11 0.72 -0.54 0.00 0.00 174.62 174.32 3dd6 s PHE 210 N -3.82 0.95 0.66 3.99 -0.71 -1.26 -4.96 117.98 112.83 3dd6 s PHE 210 Ca 0.24 -0.31 -0.07 0.00 -1.04 0.00 0.00 56.93 55.76 3dd6 s PHE 210 Cb 0.07 -0.58 0.04 0.00 -1.21 0.00 0.00 43.02 41.34 3dd6 s PHE 210 CO 0.03 -0.00 0.97 -1.54 -1.34 0.00 0.00 175.22 173.34 3dd6 s SER 211 N -0.89 5.18 0.38 1.98 1.04 -1.26 -4.95 113.70 115.18 3dd6 s SER 211 Ca -0.00 0.61 0.09 0.00 0.48 0.00 0.00 55.95 57.13 3dd6 s SER 211 Cb -0.07 -1.41 0.78 0.00 0.10 0.00 0.00 66.02 65.42 3dd6 s SER 211 CO 0.01 -1.36 1.92 -0.09 0.98 0.00 0.00 173.24 174.70 3dd6 h ARG 212 N -0.42 0.27 -0.45 4.02 2.43 -2.01 -1.64 114.38 116.58 3dd6 h ARG 212 Ca -0.45 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3dd6 h ARG 212 Cb 1.29 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3dd6 h ARG 212 CO 0.61 0.39 0.29 0.00 -1.51 0.00 0.00 179.97 179.74 3dd6 h ALA 213 N 1.64 0.56 -0.62 2.80 0.00 -2.00 -1.48 119.26 120.17 3dd6 h ALA 213 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dd6 h ALA 213 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3dd6 h ALA 213 CO 0.02 0.02 0.02 1.96 0.00 0.00 0.00 179.25 181.27 3dd6 h GLN 214 N 0.60 1.08 -0.39 0.00 4.20 -1.81 -1.49 115.11 117.29 3dd6 h GLN 214 Ca 0.16 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.58 3dd6 h GLN 214 Cb -0.06 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.58 3dd6 h GLN 214 CO -0.03 1.04 0.16 1.25 -0.67 0.00 0.00 178.83 180.57 3dd6 h LEU 215 N 0.99 0.19 -0.76 1.46 5.85 -1.03 0.24 115.31 122.25 3dd6 h LEU 215 Ca 0.18 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 3dd6 h LEU 215 Cb 0.54 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3dd6 h LEU 215 CO 0.03 0.15 0.39 0.78 -0.34 0.00 0.00 178.44 179.45 3dd6 h ASN 216 N 0.33 0.98 0.13 1.25 2.35 -1.02 -1.27 115.58 118.33 3dd6 h ASN 216 Ca 0.17 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3dd6 h ASN 216 Cb 0.13 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.25 3dd6 h ASN 216 CO -0.16 0.82 -0.06 -0.08 -1.65 0.00 0.00 177.43 176.30 3dd6 h GLU 217 N 1.07 -0.17 -0.66 0.81 4.81 -0.77 -0.96 114.58 118.71 3dd6 h GLU 217 Ca 0.27 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 3dd6 h GLU 217 Cb 0.08 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.45 3dd6 h GLU 217 CO -0.04 -0.09 0.36 -0.07 -0.73 0.00 0.00 179.01 178.44 3dd6 h LEU 218 N -0.21 0.53 -0.31 1.64 3.38 -0.40 -2.42 115.31 117.52 3dd6 h LEU 218 Ca -0.02 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3dd6 h LEU 218 Cb 0.16 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3dd6 h LEU 218 CO 0.03 0.34 0.05 -0.07 0.09 0.00 0.00 178.44 178.88 3dd6 h LEU 219 N 0.66 0.49 -0.45 1.67 3.38 -1.08 -1.39 115.31 118.58 3dd6 h LEU 219 Ca 0.30 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3dd6 h LEU 219 Cb 0.20 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 3dd6 h LEU 219 CO -0.19 0.63 -0.18 0.44 0.09 0.00 0.00 178.44 179.22 3dd6 h ASP 220 N 0.33 -0.64 -0.47 -0.43 3.32 -0.94 0.03 116.42 117.62 3dd6 h ASP 220 Ca 0.09 0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 3dd6 h ASP 220 Cb 0.35 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3dd6 h ASP 220 CO 0.01 -0.22 -0.00 0.00 -1.72 0.00 0.00 179.24 177.31 3dd6 h ALA 221 N 1.27 1.01 -0.46 3.45 0.00 -1.29 -2.93 119.26 120.30 3dd6 h ALA 221 Ca 0.22 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 3dd6 h ALA 221 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3dd6 h ALA 221 CO -0.51 0.61 -0.20 0.00 0.00 0.00 0.00 179.25 179.15 3dd6 h ALA 222 N 1.16 0.77 -0.73 0.00 0.00 -0.63 -2.82 119.26 117.02 3dd6 h ALA 222 Ca 0.16 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.78 3dd6 h ALA 222 Cb 0.49 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3dd6 h ALA 222 CO 0.02 0.66 0.37 0.93 0.00 0.00 0.00 179.25 181.23 3dd6 h GLU 223 N 0.80 0.60 0.07 0.00 5.08 -0.82 0.11 114.58 120.43 3dd6 h GLU 223 Ca 0.11 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.19 3dd6 h GLU 223 Cb 0.75 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3dd6 h GLU 223 CO 0.06 0.40 -1.10 -0.56 -1.00 0.00 0.00 179.01 176.81 3dd6 h GLN 224 N 0.62 0.25 -0.34 2.33 -0.00 -1.56 -0.54 115.11 115.86 3dd6 h GLN 224 Ca 0.36 -0.36 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 3dd6 h GLN 224 Cb 0.38 0.13 -0.03 0.00 -0.00 0.00 0.00 27.48 27.96 3dd6 h GLN 224 CO -0.27 1.13 0.17 0.78 -0.00 0.00 0.00 178.83 180.64 3dd6 h GLY 225 N 1.75 0.46 0.98 0.06 0.00 -1.19 -2.08 103.07 103.04 3dd6 h GLY 225 Ca -0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 3dd6 h GLY 225 CO 0.18 0.10 -0.07 -2.22 0.00 0.00 0.00 176.54 174.53 3dd6 h ILE 226 N 0.35 1.27 -0.94 2.60 2.04 -0.69 -0.87 117.51 121.27 3dd6 h ILE 226 Ca 0.14 -1.14 0.08 0.00 1.00 0.00 0.00 64.86 64.94 3dd6 h ILE 226 Cb 0.05 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 3dd6 h ILE 226 CO -0.09 0.39 0.61 -0.26 0.00 0.00 0.00 178.15 178.79 3dd6 h PHE 227 N 0.60 1.08 -0.48 1.37 0.04 -1.01 0.12 116.94 118.65 3dd6 h PHE 227 Ca 0.11 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.86 3dd6 h PHE 227 Cb 0.58 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 3dd6 h PHE 227 CO 0.05 0.54 0.14 1.96 -0.60 0.00 0.00 178.31 180.39 3dd6 h GLN 228 N 1.04 0.76 -0.85 1.51 4.20 -1.04 -1.30 115.11 119.43 3dd6 h GLN 228 Ca 0.42 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 3dd6 h GLN 228 Cb 0.26 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 3dd6 h GLN 228 CO -0.17 0.73 0.45 -0.07 -0.67 0.00 0.00 178.83 179.10 3dd6 h LEU 229 N 0.65 1.07 -0.65 1.46 3.38 -0.44 -1.86 115.31 118.93 3dd6 h LEU 229 Ca 0.15 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3dd6 h LEU 229 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3dd6 h LEU 229 CO -0.00 0.87 0.10 0.40 0.09 0.00 0.00 178.44 179.90 3dd6 h ILE 230 N 1.19 1.26 -0.64 1.22 2.04 -0.59 0.24 117.51 122.24 3dd6 h ILE 230 Ca 0.30 -1.04 0.10 0.00 1.00 0.00 0.00 64.86 65.22 3dd6 h ILE 230 Cb 0.05 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 3dd6 h ILE 230 CO -0.05 0.39 0.26 0.44 0.00 0.00 0.00 178.15 179.19 3dd6 h ASP 231 N 1.00 0.28 -0.46 1.72 3.32 -0.83 -0.02 116.42 121.43 3dd6 h ASP 231 Ca 0.20 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.23 3dd6 h ASP 231 Cb 0.44 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3dd6 h ASP 231 CO 0.01 0.16 -0.05 0.40 -1.72 0.00 0.00 179.24 178.04 3dd6 h ILE 232 N 0.45 1.26 -0.52 0.35 2.04 -0.72 0.05 117.51 120.41 3dd6 h ILE 232 Ca 0.32 -1.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 3dd6 h ILE 232 Cb 0.39 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3dd6 h ILE 232 CO -0.30 0.40 0.29 1.56 0.00 0.00 0.00 178.15 180.10 3dd6 h GLN 233 N 0.82 0.73 -0.95 2.37 4.20 -0.32 0.05 115.11 122.02 3dd6 h GLN 233 Ca 0.14 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.78 3dd6 h GLN 233 Cb 0.56 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 3dd6 h GLN 233 CO 0.03 0.57 0.62 0.87 -0.67 0.00 0.00 178.83 180.26 3dd6 h LYS 234 N 0.70 1.22 -0.31 1.46 1.57 -0.76 0.38 116.57 120.84 3dd6 h LYS 234 Ca 0.18 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3dd6 h LYS 234 Cb 0.05 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 3dd6 h LYS 234 CO -0.03 0.81 0.13 0.93 -0.57 0.00 0.00 179.45 180.72 3dd6 h GLU 235 N 1.26 0.27 -0.36 3.15 5.08 -0.24 -2.77 114.58 120.97 3dd6 h GLU 235 Ca 0.35 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.63 3dd6 h GLU 235 Cb -0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3dd6 h GLU 235 CO -0.09 0.18 -0.06 0.00 -1.00 0.00 0.00 179.01 178.05 3dd6 h ALA 236 N 1.18 1.24 0.00 3.43 0.00 -0.66 -3.10 119.26 121.34 3dd6 h ALA 236 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dd6 h ALA 236 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dd6 h ALA 236 CO -0.11 0.50 0.00 -0.07 0.00 0.00 0.00 179.25 179.57 3dd6 h LEU 237 N 0.55 0.00 0.00 0.00 3.38 -0.66 -3.47 115.31 115.12 3dd6 h LEU 237 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dd6 h LEU 237 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3dd6 h LEU 237 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 3dd6 n GLY 238 N 0.83 3.25 0.28 0.83 0.00 -1.12 -2.02 105.19 107.24 3dd6 n GLY 238 Ca 0.04 -0.16 0.19 0.00 0.00 0.00 0.00 46.02 46.08 3dd6 n GLY 238 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dd6 h ASP 239 N 2.56 0.00 -0.15 1.61 3.32 -1.93 -2.88 116.42 118.94 3dd6 h ASP 239 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3dd6 h ASP 239 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3dd6 h ASP 239 CO 0.00 0.00 0.13 0.40 -1.72 0.00 0.00 179.24 178.05 3dd6 h ILE 240 N 0.00 0.71 -0.42 0.35 2.04 -1.81 -1.50 117.51 116.89 3dd6 h ILE 240 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 3dd6 h ILE 240 Cb 0.29 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3dd6 h ILE 240 CO 0.00 0.00 0.37 -0.37 0.00 0.00 0.00 178.15 178.15 3dd6 h VAL 241 N 0.00 0.54 0.00 1.67 -1.51 -1.68 0.19 116.25 115.45 3dd6 h VAL 241 Ca 0.07 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.53 3dd6 h VAL 241 Cb 0.34 0.72 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 3dd6 h VAL 241 CO -0.00 0.00 -0.08 0.28 -1.23 0.00 0.00 177.57 176.54 3dd6 h SER 242 N 0.00 0.00 -0.13 4.19 0.02 -1.53 -2.49 113.55 113.61 3dd6 h SER 242 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3dd6 h SER 242 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 3dd6 h SER 242 CO -0.00 0.08 0.00 1.41 -1.14 0.00 0.00 176.83 177.18 3dd6 n HIS 243 N -3.25 0.16 -4.93 3.45 -0.00 0.66 -4.84 115.22 106.47 3dd6 n HIS 243 Ca -0.00 -0.08 -0.31 0.00 -0.00 0.00 0.00 57.72 57.33 3dd6 n HIS 243 Cb 0.31 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.16 3dd6 n HIS 243 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3dd6 s ILE 244 N -1.84 2.38 -2.99 1.59 1.01 -0.94 -4.19 121.20 116.22 3dd6 s ILE 244 Ca 0.34 -1.21 0.24 0.00 0.00 0.00 0.00 60.65 60.03 3dd6 s ILE 244 Cb 0.19 -1.93 0.20 0.00 0.01 0.00 0.00 42.46 40.93 3dd6 s ILE 244 CO 0.29 0.43 1.27 -0.62 0.00 0.00 0.00 174.94 176.31