#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d29 s PHE -8 N 0.00 2.16 -0.36 3.69 5.36 -1.26 -4.98 117.98 122.59 3d29 s PHE -8 Ca 0.00 0.33 -0.11 0.00 -0.96 0.00 0.00 56.93 56.19 3d29 s PHE -8 Cb 0.00 -3.86 0.01 0.00 -0.34 0.00 0.00 43.02 38.84 3d29 s PHE -8 CO 0.00 -3.53 0.21 1.21 -1.46 0.00 0.00 175.22 171.65 3d29 s ASN -7 N 3.03 5.76 0.00 6.13 3.04 -1.26 -4.97 114.94 126.68 3d29 s ASN -7 Ca 0.71 -0.81 0.22 0.00 0.04 0.00 0.00 52.86 53.02 3d29 s ASN -7 Cb -0.32 -2.04 1.18 0.00 -1.54 0.00 0.00 41.25 38.53 3d29 s ASN -7 CO 0.28 -0.33 1.68 -0.81 -3.04 0.00 0.00 177.10 174.88 3d29 n PRO -6 N 5.02 0.48 -4.29 0.43 -0.04 -1.26 -4.83 135.00 130.51 3d29 n PRO -6 Ca -0.12 0.05 -0.28 0.00 -0.04 0.00 0.00 63.50 63.10 3d29 n PRO -6 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 3d29 n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3d29 s TYR -5 N -2.30 2.59 0.31 0.54 1.51 -1.26 -5.10 117.35 113.65 3d29 s TYR -5 Ca 0.26 -0.23 0.05 0.00 -1.01 0.00 0.00 57.07 56.14 3d29 s TYR -5 Cb 0.15 -1.33 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 3d29 s TYR -5 CO 0.29 0.45 0.23 0.20 -1.11 0.00 0.00 175.55 175.61 3d29 s GLY -4 N -2.43 2.18 -0.06 0.71 0.00 -1.26 -5.16 107.32 101.29 3d29 s GLY -4 Ca 0.21 -1.93 -0.00 0.00 0.00 0.00 0.00 44.72 43.00 3d29 s GLY -4 CO 0.13 -1.49 -0.02 -0.35 0.00 0.00 0.00 173.10 171.36 3d29 s ASP -3 N -3.35 1.30 -0.04 1.64 3.68 -1.26 -4.17 116.67 114.47 3d29 s ASP -3 Ca 0.39 -0.11 0.13 0.00 2.13 0.00 0.00 52.55 55.08 3d29 s ASP -3 Cb 0.03 -0.46 0.38 0.00 -1.45 0.00 0.00 42.92 41.43 3d29 s ASP -3 CO 0.23 -0.13 1.32 0.59 0.13 0.00 0.00 175.17 177.31 3d29 n ASN -2 N 4.64 3.24 0.00 -0.34 4.13 -0.93 -4.45 115.26 121.54 3d29 n ASN -2 Ca -0.16 -2.21 0.00 0.00 1.68 0.00 0.00 54.58 53.90 3d29 n ASN -2 Cb 0.50 -0.32 0.00 0.00 -1.54 0.00 0.00 39.78 38.43 3d29 n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d29 n GLY -1 N 0.41 1.45 0.48 7.41 0.00 -1.26 -1.69 105.19 111.99 3d29 n GLY -1 Ca 0.15 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.59 3d29 n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d29 n GLY 1 N 0.00 -2.04 3.37 -0.02 0.00 -1.18 -4.47 105.19 100.85 3d29 n GLY 1 Ca 0.00 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.50 3d29 n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d29 s THR 2 N -2.22 0.04 0.12 2.61 2.01 -1.26 -1.60 115.64 115.33 3d29 s THR 2 Ca 0.00 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.71 3d29 s THR 2 Cb 0.00 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 3d29 s THR 2 CO 0.00 -0.16 -0.01 0.27 -0.69 0.00 0.00 174.62 174.03 3d29 s ILE 3 N -1.85 0.45 -0.20 1.82 -4.36 0.12 -2.35 121.20 114.84 3d29 s ILE 3 Ca -0.09 -1.91 -0.21 0.00 -0.26 0.00 0.00 60.65 58.18 3d29 s ILE 3 Cb -0.02 -1.85 0.06 0.00 1.25 0.00 0.00 42.46 41.90 3d29 s ILE 3 CO 0.03 -0.70 0.57 -0.22 0.24 0.00 0.00 174.94 174.86 3d29 s LEU 4 N -3.05 -0.20 -0.06 0.37 2.96 0.68 0.18 118.68 119.55 3d29 s LEU 4 Ca 0.17 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 3d29 s LEU 4 Cb 0.07 1.99 0.01 0.00 0.50 0.00 0.00 46.19 48.76 3d29 s LEU 4 CO -0.02 -0.24 -0.12 -0.83 -1.32 0.00 0.00 176.35 173.83 3d29 s GLY 5 N 0.14 0.77 -0.04 7.98 0.00 0.56 -0.08 107.32 116.64 3d29 s GLY 5 Ca -0.01 -0.39 0.06 0.00 0.00 0.00 0.00 44.72 44.38 3d29 s GLY 5 CO 0.02 0.16 -0.21 -0.42 0.00 0.00 0.00 173.10 172.64 3d29 s ILE 6 N 0.70 1.74 -0.17 0.90 -1.09 -0.65 -0.93 121.20 121.70 3d29 s ILE 6 Ca -0.14 -0.91 -0.05 0.00 -2.23 0.00 0.00 60.65 57.32 3d29 s ILE 6 Cb -0.16 -1.47 -0.03 0.00 -1.58 0.00 0.00 42.46 39.22 3d29 s ILE 6 CO 0.03 0.49 -0.00 0.00 -1.23 0.00 0.00 174.94 174.23 3d29 s ALA 7 N -0.21 3.12 0.55 9.38 0.00 0.81 -0.25 121.76 135.16 3d29 s ALA 7 Ca 0.00 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.21 3d29 s ALA 7 Cb -0.11 -1.70 0.08 0.00 0.00 0.00 0.00 23.12 21.39 3d29 s ALA 7 CO 0.02 0.13 0.70 0.41 0.00 0.00 0.00 175.76 177.02 3d29 n GLY 8 N 3.68 2.11 0.25 0.00 0.00 0.16 -4.92 105.19 106.47 3d29 n GLY 8 Ca -0.17 -2.24 -0.05 0.00 0.00 0.00 0.00 46.02 43.57 3d29 n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3d29 h GLU 9 N 0.00 0.60 0.00 1.61 4.81 -1.92 -2.09 114.58 117.60 3d29 h GLU 9 Ca -0.27 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 3d29 h GLU 9 Cb 1.20 -0.04 -0.13 0.00 0.63 0.00 0.00 28.75 30.41 3d29 h GLU 9 CO 0.40 0.76 -0.62 -0.40 -0.73 0.00 0.00 179.01 178.43 3d29 n ASP 10 N -4.14 0.79 -3.06 1.04 5.75 -1.26 -2.98 116.55 112.69 3d29 n ASP 10 Ca 0.00 -2.32 -0.08 0.00 -0.01 0.00 0.00 54.79 52.38 3d29 n ASP 10 Cb 0.39 -0.29 0.02 0.00 -1.03 0.00 0.00 41.12 40.20 3d29 n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3d29 s PHE 11 N -0.67 0.08 0.05 2.11 -0.12 -1.25 -4.44 117.98 113.74 3d29 s PHE 11 Ca 0.19 -0.71 -0.27 0.00 -0.05 0.00 0.00 56.93 56.09 3d29 s PHE 11 Cb 0.20 0.82 0.07 0.00 -0.63 0.00 0.00 43.02 43.48 3d29 s PHE 11 CO -0.06 -1.48 0.64 0.00 -0.05 0.00 0.00 175.22 174.27 3d29 s ALA 12 N -2.47 -1.68 0.08 1.99 0.00 -0.82 0.38 121.76 119.24 3d29 s ALA 12 Ca 0.15 0.93 0.06 0.00 0.00 0.00 0.00 51.96 53.10 3d29 s ALA 12 Cb -0.05 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.44 3d29 s ALA 12 CO 0.10 -0.55 -0.15 0.14 0.00 0.00 0.00 175.76 175.30 3d29 s VAL 13 N -2.36 1.21 -0.13 0.00 -7.23 0.65 -0.58 120.40 111.96 3d29 s VAL 13 Ca -0.06 -1.41 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 3d29 s VAL 13 Cb -0.00 -1.21 0.05 0.00 0.56 0.00 0.00 36.38 35.77 3d29 s VAL 13 CO -0.01 -0.25 0.06 -0.22 -0.31 0.00 0.00 175.10 174.38 3d29 s LEU 14 N -1.90 0.43 0.23 1.32 0.20 -0.74 -1.63 118.68 116.59 3d29 s LEU 14 Ca 0.01 -0.39 0.11 0.00 0.69 0.00 0.00 54.13 54.54 3d29 s LEU 14 Cb -0.09 -0.29 -0.05 0.00 -0.43 0.00 0.00 46.19 45.34 3d29 s LEU 14 CO 0.03 -0.30 -0.20 0.00 -0.29 0.00 0.00 176.35 175.59 3d29 s ALA 15 N 2.09 2.49 -0.02 5.97 0.00 0.88 -1.87 121.76 131.30 3d29 s ALA 15 Ca 0.03 -1.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.96 3d29 s ALA 15 Cb -0.15 -0.24 0.07 0.00 0.00 0.00 0.00 23.12 22.80 3d29 s ALA 15 CO -0.07 0.29 0.67 0.20 0.00 0.00 0.00 175.76 176.85 3d29 s GLY 16 N -3.13 -0.58 0.90 0.00 0.00 -0.92 -0.23 107.32 103.36 3d29 s GLY 16 Ca 0.24 1.20 -0.13 0.00 0.00 0.00 0.00 44.72 46.03 3d29 s GLY 16 CO 0.11 0.83 1.17 0.51 0.00 0.00 0.00 173.10 175.72 3d29 s ASP 17 N -1.45 3.65 -0.09 1.64 3.84 -0.99 -1.69 116.67 121.59 3d29 s ASP 17 Ca -0.09 0.81 0.12 0.00 -0.00 0.00 0.00 52.55 53.40 3d29 s ASP 17 Cb -0.00 -1.28 0.32 0.00 -1.38 0.00 0.00 42.92 40.58 3d29 s ASP 17 CO 0.06 -2.45 1.24 0.35 -0.00 0.00 0.00 175.17 174.37 3d29 n THR 18 N -3.67 1.61 -2.99 2.11 -2.24 0.21 -4.69 114.28 104.62 3d29 n THR 18 Ca 0.08 -1.55 -0.40 0.00 -2.27 0.00 0.00 64.05 59.92 3d29 n THR 18 Cb 0.60 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 3d29 n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3d29 s ARG 19 N -1.99 4.51 -0.12 -0.78 3.52 -1.25 -1.84 118.95 121.01 3d29 s ARG 19 Ca 0.27 1.09 0.00 0.00 -0.13 0.00 0.00 55.73 56.96 3d29 s ARG 19 Cb 0.20 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 3d29 s ARG 19 CO 0.08 0.38 -0.10 1.21 -0.81 0.00 0.00 175.30 176.05 3d29 s ASN 20 N -0.41 2.32 0.35 -2.12 3.84 -0.53 -4.19 114.94 114.20 3d29 s ASN 20 Ca 0.38 -0.37 0.05 0.00 0.21 0.00 0.00 52.86 53.13 3d29 s ASN 20 Cb -0.21 -0.96 -0.07 0.00 -0.55 0.00 0.00 41.25 39.46 3d29 s ASN 20 CO 0.24 -0.08 0.04 0.27 -2.79 0.00 0.00 177.10 174.78 3d29 s ILE 21 N 1.52 1.44 -0.18 -5.21 -5.25 -0.68 0.11 121.20 112.94 3d29 s ILE 21 Ca 0.03 -2.00 -0.04 0.00 -0.99 0.00 0.00 60.65 57.65 3d29 s ILE 21 Cb -0.13 -2.85 0.09 0.00 2.95 0.00 0.00 42.46 42.52 3d29 s ILE 21 CO -0.08 0.00 0.24 -0.89 -1.79 0.00 0.00 174.94 172.42 3d29 s THR 22 N -3.11 -0.37 0.00 8.37 2.01 -0.75 -4.02 115.64 117.77 3d29 s THR 22 Ca 0.36 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.36 3d29 s THR 22 Cb 0.09 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.98 3d29 s THR 22 CO 0.16 -0.10 0.00 0.47 -0.69 0.00 0.00 174.62 174.46 3d29 n ASP 23 N 5.33 0.00 -1.49 3.53 10.43 -1.26 -1.41 116.55 131.68 3d29 n ASP 23 Ca -0.05 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.39 3d29 n ASP 23 Cb 0.50 0.00 0.34 0.00 1.84 0.00 0.00 41.12 43.80 3d29 n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3d29 n TYR 24 N 14.00 1.48 -4.29 1.24 4.02 -1.26 -4.96 117.16 127.39 3d29 n TYR 24 Ca 0.00 -0.68 -0.27 0.00 -0.01 0.00 0.00 57.90 56.94 3d29 n TYR 24 Cb 0.00 -0.31 -0.09 0.00 -0.02 0.00 0.00 39.34 38.92 3d29 n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3d29 s SER 25 N -1.05 4.25 -0.21 7.72 0.01 -0.50 -5.11 113.70 118.80 3d29 s SER 25 Ca 0.49 -0.57 -0.12 0.00 1.31 0.00 0.00 55.95 57.06 3d29 s SER 25 Cb 0.34 -0.72 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 3d29 s SER 25 CO 0.19 0.11 0.22 -0.63 0.41 0.00 0.00 173.24 173.54 3d29 s ILE 26 N -1.68 5.33 -0.05 1.44 1.01 -1.26 -1.80 121.20 124.19 3d29 s ILE 26 Ca 0.25 0.34 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 3d29 s ILE 26 Cb -0.09 -3.56 -0.27 0.00 0.01 0.00 0.00 42.46 38.56 3d29 s ILE 26 CO 0.15 0.36 0.64 0.78 0.00 0.00 0.00 174.94 176.86 3d29 h ASN 27 N 7.18 0.36 -4.38 3.58 2.35 -0.66 -3.48 115.58 120.52 3d29 h ASN 27 Ca -0.39 -0.63 -0.04 0.00 -0.55 0.00 0.00 56.30 54.69 3d29 h ASN 27 Cb 1.16 -0.12 -0.20 0.00 0.05 0.00 0.00 38.32 39.21 3d29 h ASN 27 CO 0.71 1.55 0.18 -0.55 -1.65 0.00 0.00 177.43 177.67 3d29 s SER 28 N -6.89 -0.69 0.10 5.81 0.15 -0.92 -5.00 113.70 106.27 3d29 s SER 28 Ca -0.13 1.08 0.23 0.00 0.70 0.00 0.00 55.95 57.83 3d29 s SER 28 Cb 0.07 1.02 0.19 0.00 -1.71 0.00 0.00 66.02 65.59 3d29 s SER 28 CO 0.82 -0.40 1.17 0.54 1.20 0.00 0.00 173.24 176.57 3d29 n ARG 29 N 1.86 0.32 -3.45 5.44 1.74 -1.26 -1.45 116.66 119.86 3d29 n ARG 29 Ca -0.16 0.05 -0.25 0.00 -0.77 0.00 0.00 57.85 56.72 3d29 n ARG 29 Cb 0.56 -1.66 -0.11 0.00 -1.02 0.00 0.00 32.46 30.23 3d29 n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3d29 s TYR 30 N -3.20 0.21 -0.36 -1.55 5.04 -1.15 -4.09 117.35 112.26 3d29 s TYR 30 Ca 0.05 -1.05 0.00 0.00 -2.44 0.00 0.00 57.07 53.63 3d29 s TYR 30 Cb 0.13 -0.73 0.13 0.00 0.35 0.00 0.00 41.96 41.85 3d29 s TYR 30 CO 0.76 -0.87 0.20 -2.00 -1.34 0.00 0.00 175.55 172.29 3d29 s GLU 31 N 1.59 0.71 0.26 4.97 2.56 -0.77 -5.06 118.70 122.98 3d29 s GLU 31 Ca 0.14 -1.38 -0.23 0.00 0.00 0.00 0.00 54.97 53.50 3d29 s GLU 31 Cb -0.18 -1.62 -0.15 0.00 2.00 0.00 0.00 34.13 34.17 3d29 s GLU 31 CO -0.14 -1.15 0.31 -2.30 -0.56 0.00 0.00 175.26 171.42 3d29 n PRO 32 N 4.14 0.00 0.00 4.30 -0.02 -1.26 -4.78 135.00 137.38 3d29 n PRO 32 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3d29 n PRO 32 Cb 0.37 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 3d29 n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3d29 n LYS 33 N 1.05 3.36 -4.79 -0.52 4.81 -1.26 -5.03 118.16 115.78 3d29 n LYS 33 Ca 0.14 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.25 3d29 n LYS 33 Cb 0.29 -0.30 -0.14 0.00 0.02 0.00 0.00 35.03 34.90 3d29 n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3d29 s VAL 34 N -0.54 3.05 0.11 3.15 1.01 -1.26 -4.44 120.40 121.48 3d29 s VAL 34 Ca 0.00 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.39 3d29 s VAL 34 Cb 0.00 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3d29 s VAL 34 CO 0.00 0.53 -0.20 -0.36 0.00 0.00 0.00 175.10 175.07 3d29 s PHE 35 N 0.28 1.75 -0.42 5.22 0.08 0.17 -4.95 117.98 120.10 3d29 s PHE 35 Ca -0.10 -0.43 -0.22 0.00 0.12 0.00 0.00 56.93 56.31 3d29 s PHE 35 Cb -0.16 -0.95 0.02 0.00 -0.57 0.00 0.00 43.02 41.36 3d29 s PHE 35 CO 0.05 0.21 0.71 0.34 -0.10 0.00 0.00 175.22 176.43 3d29 s ASP 36 N -1.96 6.39 0.00 1.36 3.68 -1.26 -1.01 116.67 123.86 3d29 s ASP 36 Ca 0.07 -0.13 0.26 0.00 2.13 0.00 0.00 52.55 54.88 3d29 s ASP 36 Cb -0.10 -2.35 0.62 0.00 -1.45 0.00 0.00 42.92 39.64 3d29 s ASP 36 CO 0.04 -0.80 1.49 0.00 0.13 0.00 0.00 175.17 176.03 3d29 n GLY 38 N 1.29 1.22 2.41 0.00 0.00 -1.24 -4.91 105.19 103.95 3d29 n GLY 38 Ca 0.15 -2.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 3d29 n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d29 n ASP 39 N 0.00 -3.56 -3.21 1.61 9.92 -1.26 -0.87 116.55 119.17 3d29 n ASP 39 Ca 0.00 0.23 -0.22 0.00 -0.53 0.00 0.00 54.79 54.27 3d29 n ASP 39 Cb 0.00 -3.06 0.06 0.00 -0.64 0.00 0.00 41.12 37.48 3d29 n ASP 39 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3d29 n ASN 40 N -1.67 -5.99 -4.10 -2.24 5.03 -1.26 -4.87 115.26 100.16 3d29 n ASN 40 Ca -0.13 -0.44 -0.31 0.00 0.87 0.00 0.00 54.58 54.57 3d29 n ASN 40 Cb 0.58 -4.66 -0.17 0.00 -1.02 0.00 0.00 39.78 34.52 3d29 n ASN 40 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3d29 s ILE 41 N -3.26 1.77 -0.01 2.41 1.01 -0.05 -4.37 121.20 118.70 3d29 s ILE 41 Ca 0.48 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 60.36 3d29 s ILE 41 Cb -0.21 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 3d29 s ILE 41 CO 0.59 0.49 -0.07 0.68 0.00 0.00 0.00 174.94 176.63 3d29 s VAL 42 N 0.97 3.61 0.04 2.92 -7.23 -0.67 -0.41 120.40 119.64 3d29 s VAL 42 Ca -0.05 -0.75 -0.06 0.00 -1.81 0.00 0.00 61.98 59.30 3d29 s VAL 42 Cb -0.15 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 3d29 s VAL 42 CO -0.03 0.42 0.12 -0.32 -0.31 0.00 0.00 175.10 174.98 3d29 s MET 43 N -1.32 0.63 -0.22 4.82 0.00 -0.18 -0.89 119.30 122.14 3d29 s MET 43 Ca 0.16 -0.76 -0.11 0.00 0.00 0.00 0.00 55.69 54.99 3d29 s MET 43 Cb -0.11 0.25 0.08 0.00 0.00 0.00 0.00 34.83 35.05 3d29 s MET 43 CO 0.06 -0.16 0.51 0.45 0.00 0.00 0.00 175.02 175.88 3d29 s SER 44 N -2.19 -0.64 -0.38 1.11 0.15 -0.45 -0.66 113.70 110.64 3d29 s SER 44 Ca -0.04 1.15 0.01 0.00 0.70 0.00 0.00 55.95 57.78 3d29 s SER 44 Cb -0.00 1.22 0.11 0.00 -1.71 0.00 0.00 66.02 65.63 3d29 s SER 44 CO -0.05 -0.22 0.12 0.00 1.20 0.00 0.00 173.24 174.30 3d29 s ALA 45 N 1.88 3.02 -0.10 5.45 0.00 -1.26 -1.01 121.76 129.74 3d29 s ALA 45 Ca -0.08 -2.56 -0.09 0.00 0.00 0.00 0.00 51.96 49.23 3d29 s ALA 45 Cb -0.09 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 3d29 s ALA 45 CO -0.15 -1.75 0.20 1.21 0.00 0.00 0.00 175.76 175.26 3d29 s ASN 46 N 1.25 6.48 0.00 0.00 3.04 -0.44 -4.33 114.94 120.93 3d29 s ASN 46 Ca 0.10 0.57 0.00 0.00 0.04 0.00 0.00 52.86 53.57 3d29 s ASN 46 Cb -0.21 -2.11 0.00 0.00 -1.54 0.00 0.00 41.25 37.40 3d29 s ASN 46 CO -0.06 0.39 0.00 0.61 -3.04 0.00 0.00 177.10 175.00 3d29 n GLY 47 N 1.97 0.14 3.57 1.21 0.00 -1.26 -0.19 105.19 110.63 3d29 n GLY 47 Ca -0.19 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3d29 n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3d29 s PHE 48 N 0.00 2.84 0.38 1.61 5.36 -0.20 -2.19 117.98 125.77 3d29 s PHE 48 Ca 0.00 0.46 0.11 0.00 -0.96 0.00 0.00 56.93 56.54 3d29 s PHE 48 Cb 0.00 -4.20 0.90 0.00 -0.34 0.00 0.00 43.02 39.38 3d29 s PHE 48 CO 0.00 -1.24 1.88 0.00 -1.46 0.00 0.00 175.22 174.40 3d29 h ALA 49 N 9.21 1.94 -0.67 11.12 0.00 -1.89 0.11 119.26 139.08 3d29 h ALA 49 Ca -0.24 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3d29 h ALA 49 Cb 1.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3d29 h ALA 49 CO 1.09 -0.18 0.37 0.00 0.00 0.00 0.00 179.25 180.52 3d29 h ALA 50 N 1.61 0.86 -0.35 0.00 0.00 -1.97 0.20 119.26 119.62 3d29 h ALA 50 Ca 0.44 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 3d29 h ALA 50 Cb 0.81 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3d29 h ALA 50 CO -0.19 0.38 -0.45 -0.44 0.00 0.00 0.00 179.25 178.56 3d29 h ASP 51 N 0.92 1.00 -0.54 0.00 3.45 -1.64 -2.54 116.42 117.06 3d29 h ASP 51 Ca 0.24 -0.49 0.03 0.00 0.43 0.00 0.00 57.03 57.23 3d29 h ASP 51 Cb 0.05 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.50 3d29 h ASP 51 CO -0.04 1.29 0.33 1.23 -1.57 0.00 0.00 179.24 180.48 3d29 h GLY 52 N 0.73 0.77 1.09 2.75 0.00 -0.54 -1.39 103.07 106.48 3d29 h GLY 52 Ca 0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3d29 h GLY 52 CO 0.11 0.20 -0.02 -0.55 0.00 0.00 0.00 176.54 176.28 3d29 h ASP 53 N 0.64 1.06 -0.81 0.19 3.45 -0.96 -2.25 116.42 117.74 3d29 h ASP 53 Ca 0.22 -0.31 0.02 0.00 0.43 0.00 0.00 57.03 57.39 3d29 h ASP 53 Cb 0.03 -0.29 -0.04 0.00 -0.56 0.00 0.00 39.33 38.47 3d29 h ASP 53 CO -0.10 1.12 0.53 0.00 -1.57 0.00 0.00 179.24 179.22 3d29 h ALA 54 N 0.98 1.05 0.50 3.45 0.00 -1.03 -0.72 119.26 123.49 3d29 h ALA 54 Ca 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3d29 h ALA 54 Cb 0.59 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3d29 h ALA 54 CO 0.03 0.39 -0.24 1.25 0.00 0.00 0.00 179.25 180.69 3d29 h LEU 55 N 1.06 -0.56 -0.93 0.00 5.85 -1.04 -0.44 115.31 119.23 3d29 h LEU 55 Ca 0.31 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.08 3d29 h LEU 55 Cb -0.06 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 3d29 h LEU 55 CO -0.09 -0.27 0.57 0.58 -0.34 0.00 0.00 178.44 178.89 3d29 h VAL 56 N -0.85 0.93 -0.47 1.05 2.07 -1.29 0.76 116.25 118.44 3d29 h VAL 56 Ca -0.07 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3d29 h VAL 56 Cb 0.59 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3d29 h VAL 56 CO 0.11 0.17 0.20 0.50 0.02 0.00 0.00 177.57 178.58 3d29 h LYS 57 N 0.93 0.70 -0.07 1.57 3.64 -1.02 -0.14 116.57 122.18 3d29 h LYS 57 Ca 0.45 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 3d29 h LYS 57 Cb 0.42 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3d29 h LYS 57 CO -0.25 0.61 -0.46 0.00 -2.27 0.00 0.00 179.45 177.08 3d29 h ARG 58 N 0.62 0.17 -0.06 1.90 3.08 0.04 -1.89 114.38 118.25 3d29 h ARG 58 Ca 0.16 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 3d29 h ARG 58 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3d29 h ARG 58 CO -0.02 0.60 -0.26 0.35 -1.07 0.00 0.00 179.97 179.57 3d29 h PHE 59 N 0.14 0.38 -0.81 3.04 3.57 -0.62 -2.29 116.94 120.35 3d29 h PHE 59 Ca 0.01 -0.16 0.06 0.00 3.53 0.00 0.00 57.97 61.40 3d29 h PHE 59 Cb 0.87 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 3d29 h PHE 59 CO 0.01 0.89 0.53 0.87 -2.23 0.00 0.00 178.31 178.38 3d29 h LYS 60 N -0.23 0.88 0.00 1.11 1.57 -0.96 0.26 116.57 119.20 3d29 h LYS 60 Ca -0.02 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3d29 h LYS 60 Cb 0.91 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3d29 h LYS 60 CO 0.06 0.58 -0.34 -0.97 -0.57 0.00 0.00 179.45 178.21 3d29 h ASN 61 N 0.91 0.00 -0.22 0.86 -0.73 -1.30 -1.10 115.58 114.00 3d29 h ASN 61 Ca 0.35 0.00 -0.18 0.00 1.87 0.00 0.00 56.30 58.34 3d29 h ASN 61 Cb 0.20 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.79 3d29 h ASN 61 CO -0.12 0.34 -0.52 -1.28 -0.37 0.00 0.00 177.43 175.48 3d29 h SER 62 N 0.00 0.89 -0.40 1.15 0.87 0.04 -2.23 113.55 113.87 3d29 h SER 62 Ca -0.00 -0.46 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 3d29 h SER 62 Cb 0.65 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 3d29 h SER 62 CO 0.04 1.24 0.20 0.58 -0.53 0.00 0.00 176.83 178.36 3d29 h VAL 63 N 0.62 1.17 -0.41 2.23 2.07 -0.50 0.28 116.25 121.72 3d29 h VAL 63 Ca 0.02 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.12 3d29 h VAL 63 Cb 1.11 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3d29 h VAL 63 CO 0.11 0.18 0.12 0.50 0.02 0.00 0.00 177.57 178.50 3d29 h LYS 64 N 0.50 0.26 -0.03 1.57 3.64 -1.09 -1.38 116.57 120.04 3d29 h LYS 64 Ca 0.14 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 3d29 h LYS 64 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3d29 h LYS 64 CO -0.02 0.17 -0.55 -1.49 -2.27 0.00 0.00 179.45 175.29 3d29 h TRP 65 N 0.27 0.10 -0.56 1.91 4.06 -1.15 -2.43 115.95 118.15 3d29 h TRP 65 Ca 0.19 -0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.13 3d29 h TRP 65 Cb 0.20 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.30 3d29 h TRP 65 CO -0.17 0.61 0.34 -0.92 -3.56 0.00 0.00 178.44 174.74 3d29 h TYR 66 N 0.06 0.63 -0.85 0.49 3.20 -0.02 0.28 116.97 120.77 3d29 h TYR 66 Ca -0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3d29 h TYR 66 Cb 0.99 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.02 3d29 h TYR 66 CO 0.01 0.35 0.40 0.45 -1.64 0.00 0.00 178.16 177.73 3d29 h HIS 67 N 0.66 1.23 0.67 -3.82 3.86 -0.97 0.16 115.15 116.95 3d29 h HIS 67 Ca 0.23 -0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3d29 h HIS 67 Cb 0.04 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.13 3d29 h HIS 67 CO -0.06 0.89 -0.32 0.74 0.86 0.00 0.00 177.93 180.04 3d29 h PHE 68 N 1.21 -0.84 -0.01 2.45 0.04 -0.85 0.78 116.94 119.72 3d29 h PHE 68 Ca 0.29 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 3d29 h PHE 68 Cb 0.14 0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 3d29 h PHE 68 CO 0.02 -0.49 -0.02 -0.44 -0.60 0.00 0.00 178.31 176.78 3d29 h ASP 69 N -1.16 0.02 -0.86 2.17 3.32 -0.38 -3.23 116.42 116.30 3d29 h ASP 69 Ca -0.09 -0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.42 3d29 h ASP 69 Cb 0.72 -0.00 -0.43 0.00 0.22 0.00 0.00 39.33 39.84 3d29 h ASP 69 CO 0.15 0.04 -0.83 1.41 -1.72 0.00 0.00 179.24 178.29 3d29 n HIS 70 N -4.51 2.75 -3.76 4.55 8.25 0.53 -4.97 115.22 118.06 3d29 n HIS 70 Ca -0.03 -2.37 -0.25 0.00 -0.26 0.00 0.00 57.72 54.81 3d29 n HIS 70 Cb 0.11 -0.29 0.04 0.00 1.12 0.00 0.00 29.99 30.97 3d29 n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3d29 n ASN 70 N -0.66 -3.08 -0.77 0.41 4.05 -1.11 -1.60 115.26 112.50 3d29 n ASN 70 Ca 0.40 -0.77 -0.10 0.00 0.45 0.00 0.00 54.58 54.57 3d29 n ASN 70 Cb 0.91 -4.14 -0.04 0.00 1.23 0.00 0.00 39.78 37.73 3d29 n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3d29 n ASP 71 N -2.97 -5.20 -4.73 1.20 8.00 0.27 -4.94 116.55 108.18 3d29 n ASP 71 Ca -0.14 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 3d29 n ASP 71 Cb 0.61 -3.59 -0.02 0.00 -0.02 0.00 0.00 41.12 38.10 3d29 n ASP 71 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3d29 n LYS 72 N -1.38 2.65 -1.92 -1.24 4.81 -0.62 -4.91 118.16 115.53 3d29 n LYS 72 Ca -0.10 0.95 -0.41 0.00 -0.87 0.00 0.00 58.31 57.88 3d29 n LYS 72 Cb 0.50 -2.74 -0.01 0.00 0.02 0.00 0.00 35.03 32.80 3d29 n LYS 72 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3d29 s LYS 73 N 0.06 4.16 -0.33 1.64 2.20 -1.26 -4.60 119.74 121.62 3d29 s LYS 73 Ca 0.68 2.42 -0.19 0.00 -0.36 0.00 0.00 55.97 58.52 3d29 s LYS 73 Cb -0.52 -2.97 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 3d29 s LYS 73 CO 0.43 -0.43 0.58 -1.17 -0.36 0.00 0.00 175.35 174.40 3d29 s LEU 74 N -2.05 4.22 0.68 5.43 2.96 -1.26 -5.05 118.68 123.61 3d29 s LEU 74 Ca 0.52 0.22 -0.15 0.00 -0.22 0.00 0.00 54.13 54.50 3d29 s LEU 74 Cb -0.44 -2.71 0.01 0.00 0.50 0.00 0.00 46.19 43.56 3d29 s LEU 74 CO 0.59 -0.48 1.14 -0.94 -1.32 0.00 0.00 176.35 175.34 3d29 s SER 75 N 1.71 4.84 0.32 3.68 1.04 -1.26 -4.82 113.70 119.21 3d29 s SER 75 Ca 0.22 2.12 0.03 0.00 0.48 0.00 0.00 55.95 58.81 3d29 s SER 75 Cb -0.15 -2.56 0.54 0.00 0.10 0.00 0.00 66.02 63.94 3d29 s SER 75 CO 0.13 -1.82 1.85 -0.29 0.98 0.00 0.00 173.24 174.09 3d29 h ILE 76 N -0.02 1.21 -0.11 -1.02 2.10 -1.93 -0.16 117.51 117.59 3d29 h ILE 76 Ca -0.47 -0.84 -0.09 0.00 1.08 0.00 0.00 64.86 64.54 3d29 h ILE 76 Cb 1.26 0.94 -0.01 0.00 -1.09 0.00 0.00 36.82 37.92 3d29 h ILE 76 CO 0.53 0.29 -0.32 -0.55 -1.08 0.00 0.00 178.15 177.02 3d29 h ASN 77 N 0.55 0.21 -0.10 2.19 -1.07 -1.91 -1.57 115.58 113.88 3d29 h ASN 77 Ca 0.12 -0.07 -0.21 0.00 0.07 0.00 0.00 56.30 56.20 3d29 h ASN 77 Cb 0.36 -0.06 0.01 0.00 -2.07 0.00 0.00 38.32 36.56 3d29 h ASN 77 CO 0.01 0.53 -0.73 0.28 0.07 0.00 0.00 177.43 177.60 3d29 h SER 78 N 0.19 0.87 -0.65 6.14 0.02 -1.67 -2.69 113.55 115.75 3d29 h SER 78 Ca 0.02 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.40 3d29 h SER 78 Cb 0.67 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 3d29 h SER 78 CO 0.05 1.34 0.31 0.00 -1.14 0.00 0.00 176.83 177.39 3d29 h ALA 79 N 0.65 1.28 -0.49 3.77 0.00 -0.72 -1.40 119.26 122.35 3d29 h ALA 79 Ca -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3d29 h ALA 79 Cb 1.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3d29 h ALA 79 CO 0.15 0.55 0.14 0.00 0.00 0.00 0.00 179.25 180.09 3d29 h ALA 80 N 1.38 0.64 -0.23 0.00 0.00 -1.21 0.66 119.26 120.50 3d29 h ALA 80 Ca 0.23 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3d29 h ALA 80 Cb 0.12 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3d29 h ALA 80 CO -0.03 0.31 -0.23 -0.09 0.00 0.00 0.00 179.25 179.20 3d29 h ARG 81 N 0.66 0.43 -0.27 0.00 9.65 -1.12 -1.87 114.38 121.86 3d29 h ARG 81 Ca 0.15 -0.15 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 3d29 h ARG 81 Cb 0.29 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 3d29 h ARG 81 CO -0.00 0.64 -0.12 -0.97 2.80 0.00 0.00 179.97 182.31 3d29 h ASN 82 N 0.38 0.58 0.14 -3.80 -0.00 -0.76 -2.85 115.58 109.27 3d29 h ASN 82 Ca 0.06 -0.40 -0.04 0.00 -0.00 0.00 0.00 56.30 55.92 3d29 h ASN 82 Cb 0.62 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.78 3d29 h ASN 82 CO 0.04 0.85 -0.15 0.40 -0.00 0.00 0.00 177.43 178.58 3d29 h ILE 83 N 0.30 1.12 -0.62 2.57 2.04 -0.65 -1.55 117.51 120.72 3d29 h ILE 83 Ca 0.06 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 3d29 h ILE 83 Cb 0.63 1.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 3d29 h ILE 83 CO 0.04 0.17 0.20 -0.61 0.00 0.00 0.00 178.15 177.94 3d29 h GLN 84 N 0.04 0.96 -0.12 2.37 4.15 -1.12 -0.71 115.11 120.68 3d29 h GLN 84 Ca 0.01 -0.21 -0.11 0.00 0.77 0.00 0.00 58.65 59.11 3d29 h GLN 84 Cb 0.29 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 3d29 h GLN 84 CO 0.02 0.85 -0.42 0.45 -1.93 0.00 0.00 178.83 177.80 3d29 h HIS 85 N 0.89 0.32 -0.20 3.99 3.86 -1.13 0.20 115.15 123.08 3d29 h HIS 85 Ca 0.20 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 3d29 h HIS 85 Cb 0.29 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3d29 h HIS 85 CO 0.02 0.66 0.06 -0.07 0.86 0.00 0.00 177.93 179.46 3d29 h LEU 86 N 0.23 0.29 -0.03 2.43 3.38 -0.81 -0.84 115.31 119.97 3d29 h LEU 86 Ca 0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3d29 h LEU 86 Cb 0.84 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3d29 h LEU 86 CO 0.07 0.42 -0.03 -0.07 0.09 0.00 0.00 178.44 178.91 3d29 h LEU 87 N 0.15 0.08 -1.27 1.67 3.38 -0.96 -3.12 115.31 115.24 3d29 h LEU 87 Ca 0.07 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3d29 h LEU 87 Cb 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3d29 h LEU 87 CO -0.00 0.56 0.00 0.22 0.09 0.00 0.00 178.44 179.31 3d29 h TYR 88 N -0.41 0.00 0.00 1.13 5.03 -0.64 -1.10 116.97 120.98 3d29 h TYR 88 Ca 0.00 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 3d29 h TYR 88 Cb 0.54 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.82 3d29 h TYR 88 CO 0.10 0.00 -0.10 0.78 -1.32 0.00 0.00 178.16 177.62 3d29 h GLY 89 N 1.65 0.00 -3.32 1.82 0.00 -1.07 -1.48 103.07 100.67 3d29 h GLY 89 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3d29 h GLY 89 CO 0.00 0.00 -0.11 0.28 0.00 0.00 0.00 176.54 176.71 3d29 n LYS 90 N -3.46 2.80 -0.01 4.80 5.02 -0.42 -4.77 118.16 122.13 3d29 n LYS 90 Ca -0.01 -3.62 0.19 0.00 -2.02 0.00 0.00 58.31 52.85 3d29 n LYS 90 Cb 0.24 -2.14 0.67 0.00 -0.02 0.00 0.00 35.03 33.78 3d29 n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3d29 h ARG 91 N 1.76 0.04 -0.53 1.97 9.65 -1.31 0.23 114.38 126.18 3d29 h ARG 91 Ca 0.40 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.28 3d29 h ARG 91 Cb 1.41 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.98 3d29 h ARG 91 CO 0.89 0.03 0.00 1.19 2.80 0.00 0.00 179.97 184.87 3d29 n PHE 92 N -4.39 1.20 -2.69 2.20 3.72 -1.26 -4.43 117.46 111.80 3d29 n PHE 92 Ca 0.10 -0.63 -0.06 0.00 -0.05 0.00 0.00 57.45 56.81 3d29 n PHE 92 Cb 0.58 -0.21 0.10 0.00 -0.94 0.00 0.00 39.48 39.01 3d29 n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3d29 n PHE 93 N 0.75 -1.46 -1.20 1.38 7.35 -0.55 -5.17 117.46 118.55 3d29 n PHE 93 Ca 0.22 -1.27 -0.36 0.00 -0.76 0.00 0.00 57.45 55.28 3d29 n PHE 93 Cb 0.80 1.35 0.08 0.00 0.35 0.00 0.00 39.48 42.07 3d29 n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3d29 n PRO 94 N 0.62 0.24 -2.82 -7.13 -0.02 0.70 -4.83 135.00 121.76 3d29 n PRO 94 Ca -0.00 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 3d29 n PRO 94 Cb 0.73 -1.89 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 3d29 n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3d29 s TYR 95 N -1.98 3.29 -1.25 6.00 4.12 -1.26 -4.93 117.35 121.35 3d29 s TYR 95 Ca 0.65 1.18 -0.14 0.00 0.02 0.00 0.00 57.07 58.78 3d29 s TYR 95 Cb -0.33 -3.17 -0.05 0.00 -1.52 0.00 0.00 41.96 36.89 3d29 s TYR 95 CO 0.58 -0.47 2.28 0.66 0.02 0.00 0.00 175.55 178.63 3d29 n TYR 96 N 6.18 2.60 -4.02 2.71 4.02 -1.26 -4.81 117.16 122.58 3d29 n TYR 96 Ca 0.07 -2.57 -0.08 0.00 -0.01 0.00 0.00 57.90 55.31 3d29 n TYR 96 Cb 0.47 -2.21 -0.10 0.00 -0.02 0.00 0.00 39.34 37.48 3d29 n TYR 96 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3d29 s VAL 97 N 3.48 0.15 -0.27 -0.72 -7.23 -1.26 -1.03 120.40 113.53 3d29 s VAL 97 Ca 0.53 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.40 3d29 s VAL 97 Cb 0.14 -0.81 0.03 0.00 0.56 0.00 0.00 36.38 36.30 3d29 s VAL 97 CO -0.02 -0.70 -0.02 -1.00 -0.31 0.00 0.00 175.10 173.05 3d29 s HIS 98 N -2.53 3.13 0.09 2.82 3.76 0.73 -3.86 115.29 119.42 3d29 s HIS 98 Ca -0.06 -1.51 0.07 0.00 -0.15 0.00 0.00 55.06 53.41 3d29 s HIS 98 Cb -0.02 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 3d29 s HIS 98 CO -0.05 -0.72 -0.11 -0.08 -0.85 0.00 0.00 174.74 172.94 3d29 s THR 99 N 1.34 3.32 0.02 1.30 -1.32 -1.25 -1.33 115.64 117.72 3d29 s THR 99 Ca -0.01 -1.22 0.02 0.00 -1.21 0.00 0.00 61.69 59.27 3d29 s THR 99 Cb -0.17 -2.53 -0.01 0.00 -1.51 0.00 0.00 72.50 68.28 3d29 s THR 99 CO -0.02 0.16 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.86 3d29 s ILE 100 N -1.16 0.43 0.05 5.08 1.01 -0.18 0.11 121.20 126.54 3d29 s ILE 100 Ca 0.20 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3d29 s ILE 100 Cb -0.11 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 3d29 s ILE 100 CO 0.12 -0.12 -0.10 0.27 0.00 0.00 0.00 174.94 175.11 3d29 s ILE 101 N -0.68 0.76 0.08 2.92 -4.36 0.55 -1.34 121.20 119.12 3d29 s ILE 101 Ca -0.04 -1.09 0.03 0.00 -0.26 0.00 0.00 60.65 59.30 3d29 s ILE 101 Cb -0.05 -0.77 -0.03 0.00 1.25 0.00 0.00 42.46 42.85 3d29 s ILE 101 CO 0.00 -0.27 -0.10 0.00 0.24 0.00 0.00 174.94 174.81 3d29 s ALA 102 N -1.23 0.98 0.00 2.27 0.00 -0.06 -1.03 121.76 122.69 3d29 s ALA 102 Ca -0.06 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.84 3d29 s ALA 102 Cb -0.09 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3d29 s ALA 102 CO 0.01 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3d29 n GLY 103 N 0.88 -0.82 3.10 0.00 0.00 -0.23 -1.66 105.19 106.45 3d29 n GLY 103 Ca -0.18 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 3d29 n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d29 s LEU 104 N 0.00 2.00 1.07 0.99 1.43 -1.26 -0.36 118.68 122.55 3d29 s LEU 104 Ca 0.00 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.68 3d29 s LEU 104 Cb 0.00 -0.71 0.24 0.00 0.03 0.00 0.00 46.19 45.75 3d29 s LEU 104 CO 0.00 0.16 1.24 1.51 0.23 0.00 0.00 176.35 179.49 3d29 s ASP 105 N -0.26 2.12 0.00 2.29 1.47 0.17 -4.48 116.67 117.98 3d29 s ASP 105 Ca 0.04 0.40 0.09 0.00 1.18 0.00 0.00 52.55 54.26 3d29 s ASP 105 Cb -0.06 -0.51 0.51 0.00 -0.34 0.00 0.00 42.92 42.53 3d29 s ASP 105 CO -0.00 -3.36 0.93 -0.62 0.68 0.00 0.00 175.17 172.79 3d29 n GLU 106 N -4.21 0.38 -0.11 2.11 1.02 -1.26 -1.49 120.64 117.07 3d29 n GLU 106 Ca 0.15 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.32 3d29 n GLU 106 Cb 0.59 -1.35 0.10 0.00 -0.02 0.00 0.00 31.44 30.76 3d29 n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3d29 n ASP 10 N -0.85 2.58 0.00 1.62 10.43 -1.26 -4.98 116.55 124.09 3d29 n ASP 10 Ca 0.06 -2.08 0.00 0.00 2.57 0.00 0.00 54.79 55.35 3d29 n ASP 10 Cb 0.03 -0.16 0.00 0.00 1.84 0.00 0.00 41.12 42.83 3d29 n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d29 n GLY 10 N 0.00 2.09 3.79 0.44 0.00 -0.56 -5.04 105.19 105.92 3d29 n GLY 10 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3d29 n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d29 s LYS 107 N -0.15 3.79 0.38 1.61 -0.14 -1.26 -4.50 119.74 119.47 3d29 s LYS 107 Ca 0.00 1.41 -0.27 0.00 -1.36 0.00 0.00 55.97 55.75 3d29 s LYS 107 Cb 0.00 -2.13 -0.10 0.00 -1.68 0.00 0.00 37.83 33.92 3d29 s LYS 107 CO 0.00 -0.45 1.36 0.20 -0.76 0.00 0.00 175.35 175.70 3d29 s GLY 108 N -1.91 2.95 -0.03 -3.33 0.00 -0.78 -0.66 107.32 103.57 3d29 s GLY 108 Ca 0.67 1.35 -0.02 0.00 0.00 0.00 0.00 44.72 46.72 3d29 s GLY 108 CO 0.21 1.98 0.06 0.00 0.00 0.00 0.00 173.10 175.35 3d29 s ALA 109 N -1.18 -0.11 -0.06 3.20 0.00 0.51 -4.69 121.76 119.43 3d29 s ALA 109 Ca 0.54 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.77 3d29 s ALA 109 Cb -0.41 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.56 3d29 s ALA 109 CO 0.54 -0.06 -0.12 0.08 0.00 0.00 0.00 175.76 176.20 3d29 s VAL 110 N 0.35 1.12 -0.02 0.00 1.01 -1.23 -1.07 120.40 120.57 3d29 s VAL 110 Ca -0.03 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3d29 s VAL 110 Cb -0.04 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3d29 s VAL 110 CO -0.01 0.35 -0.17 -0.31 0.00 0.00 0.00 175.10 174.95 3d29 s TYR 111 N 0.49 1.55 0.15 5.22 2.02 -0.20 -0.79 117.35 125.80 3d29 s TYR 111 Ca -0.11 -0.31 0.06 0.00 -0.37 0.00 0.00 57.07 56.34 3d29 s TYR 111 Cb -0.14 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 3d29 s TYR 111 CO 0.03 -0.04 -0.12 -1.54 -1.57 0.00 0.00 175.55 172.31 3d29 s SER 112 N -0.36 2.02 0.21 2.29 1.04 -1.14 -0.33 113.70 117.43 3d29 s SER 112 Ca 0.06 -0.97 0.03 0.00 0.48 0.00 0.00 55.95 55.55 3d29 s SER 112 Cb -0.07 -0.05 -0.05 0.00 0.10 0.00 0.00 66.02 65.95 3d29 s SER 112 CO -0.00 -0.25 -0.01 -0.36 0.98 0.00 0.00 173.24 173.59 3d29 s PHE 113 N -2.97 1.43 0.55 5.02 0.40 0.12 -3.13 117.98 119.40 3d29 s PHE 113 Ca 0.16 -0.93 -0.07 0.00 -0.60 0.00 0.00 56.93 55.50 3d29 s PHE 113 Cb 0.00 -0.81 -0.03 0.00 0.51 0.00 0.00 43.02 42.69 3d29 s PHE 113 CO 0.03 -0.07 0.88 0.34 0.70 0.00 0.00 175.22 177.10 3d29 s ASP 114 N -3.25 6.08 0.56 1.36 3.68 0.38 -3.90 116.67 121.57 3d29 s ASP 114 Ca 0.26 1.01 0.33 0.00 2.13 0.00 0.00 52.55 56.28 3d29 s ASP 114 Cb 0.05 -2.18 1.57 0.00 -1.45 0.00 0.00 42.92 40.92 3d29 s ASP 114 CO 0.06 -0.78 2.08 -0.65 0.13 0.00 0.00 175.17 176.01 3d29 h PRO 115 N -0.03 0.00 -0.34 4.34 0.11 -1.88 -2.35 132.00 131.85 3d29 h PRO 115 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3d29 h PRO 115 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d29 h PRO 115 CO 0.62 0.06 0.00 1.33 -0.21 0.00 0.00 178.00 179.80 3d29 n VAL 116 N -3.29 2.07 0.00 3.15 0.24 -1.26 -4.35 118.33 114.89 3d29 n VAL 116 Ca -0.01 -1.61 0.00 0.00 -2.04 0.00 0.00 64.34 60.68 3d29 n VAL 116 Cb 0.25 -0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 3d29 n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d29 n GLY 117 N -0.06 1.40 3.68 7.63 0.00 -0.88 -3.58 105.19 113.38 3d29 n GLY 117 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3d29 n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d29 s SER 118 N -1.79 6.67 0.13 1.61 0.15 -1.26 -4.59 113.70 114.62 3d29 s SER 118 Ca 0.00 2.34 0.05 0.00 0.70 0.00 0.00 55.95 59.04 3d29 s SER 118 Cb 0.00 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3d29 s SER 118 CO 0.00 -0.86 -0.11 -0.72 1.20 0.00 0.00 173.24 172.75 3d29 s TYR 119 N 2.94 1.25 0.02 3.44 -0.85 -1.26 -0.47 117.35 122.42 3d29 s TYR 119 Ca 0.72 -0.70 -0.10 0.00 -0.52 0.00 0.00 57.07 56.46 3d29 s TYR 119 Cb -0.36 -0.64 0.01 0.00 0.38 0.00 0.00 41.96 41.34 3d29 s TYR 119 CO 0.30 0.08 0.21 -2.00 -1.52 0.00 0.00 175.55 172.62 3d29 s GLU 120 N -3.39 0.64 -0.13 -3.49 2.56 -1.18 -5.02 118.70 108.69 3d29 s GLU 120 Ca 0.13 -0.49 -0.10 0.00 0.00 0.00 0.00 54.97 54.50 3d29 s GLU 120 Cb 0.00 0.27 -0.05 0.00 2.00 0.00 0.00 34.13 36.36 3d29 s GLU 120 CO 0.01 -0.18 0.21 0.50 -0.56 0.00 0.00 175.26 175.24 3d29 s ARG 121 N -2.06 3.89 0.26 4.30 3.52 -1.26 -2.86 118.95 124.73 3d29 s ARG 121 Ca -0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 3d29 s ARG 121 Cb -0.03 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 30.02 3d29 s ARG 121 CO -0.01 0.51 0.25 -1.21 -0.81 0.00 0.00 175.30 174.03 3d29 s GLU 122 N -0.32 1.48 0.20 5.12 2.02 0.03 -5.01 118.70 122.23 3d29 s GLU 122 Ca 0.15 -1.73 0.16 0.00 0.02 0.00 0.00 54.97 53.57 3d29 s GLU 122 Cb -0.13 0.32 -0.00 0.00 0.10 0.00 0.00 34.13 34.43 3d29 s GLU 122 CO 0.04 -0.54 1.22 0.37 0.02 0.00 0.00 175.26 176.37 3d29 h GLN 123 N 2.38 0.00 -2.97 1.61 5.75 -1.93 -3.25 115.11 116.70 3d29 h GLN 123 Ca -0.31 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.19 3d29 h GLN 123 Cb 1.24 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.68 3d29 h GLN 123 CO 0.45 0.39 0.22 0.00 -2.65 0.00 0.00 178.83 177.24 3d29 s ARG 125 N -3.74 0.19 -0.01 0.00 6.06 -0.11 -4.97 118.95 116.37 3d29 s ARG 125 Ca 0.02 0.31 0.00 0.00 -2.50 0.00 0.00 55.73 53.56 3d29 s ARG 125 Cb -0.01 0.05 -0.04 0.00 0.06 0.00 0.00 34.95 35.01 3d29 s ARG 125 CO -0.11 -0.04 0.05 0.00 -2.50 0.00 0.00 175.30 172.71 3d29 s ALA 126 N 0.96 3.48 0.04 6.12 0.00 -1.26 -0.32 121.76 130.78 3d29 s ALA 126 Ca -0.06 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.98 3d29 s ALA 126 Cb -0.03 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.56 3d29 s ALA 126 CO -0.12 0.67 0.02 0.20 0.00 0.00 0.00 175.76 176.54 3d29 s GLY 127 N -1.64 0.30 0.00 0.00 0.00 0.13 -4.83 107.32 101.28 3d29 s GLY 127 Ca 0.21 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.12 3d29 s GLY 127 CO 0.12 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.90 3d29 n GLY 128 N 0.66 -1.73 0.27 0.20 0.00 -1.26 0.12 105.19 103.45 3d29 n GLY 128 Ca -0.18 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 43.86 3d29 n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d29 h ALA 129 N 0.00 0.58 -0.53 4.61 0.00 -1.56 -1.75 119.26 120.60 3d29 h ALA 129 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3d29 h ALA 129 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3d29 h ALA 129 CO 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3d29 n ALA 130 N -3.10 3.08 -0.29 0.00 0.00 -1.26 -4.50 120.51 114.43 3d29 n ALA 130 Ca 0.11 -1.34 0.08 0.00 0.00 0.00 0.00 53.44 52.30 3d29 n ALA 130 Cb 0.40 -1.04 0.24 0.00 0.00 0.00 0.00 19.45 19.06 3d29 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d29 h ALA 131 N 3.86 1.28 0.00 0.00 0.00 -1.53 0.19 119.26 123.05 3d29 h ALA 131 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d29 h ALA 131 Cb 1.31 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3d29 h ALA 131 CO 0.22 -0.18 0.00 0.66 0.00 0.00 0.00 179.25 179.95 3d29 h SER 132 N 0.53 0.00 0.13 0.00 4.64 -1.81 -0.56 113.55 116.48 3d29 h SER 132 Ca 0.48 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.45 3d29 h SER 132 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3d29 h SER 132 CO -0.42 0.00 -1.91 -0.07 -0.87 0.00 0.00 176.83 173.56 3d29 h LEU 133 N 0.00 0.45 0.05 5.97 4.07 -1.00 -3.42 115.31 121.43 3d29 h LEU 133 Ca 0.00 -0.94 -0.10 0.00 0.08 0.00 0.00 57.88 56.92 3d29 h LEU 133 Cb 0.33 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3d29 h LEU 133 CO 0.00 1.83 -0.49 0.40 -1.08 0.00 0.00 178.44 179.10 3d29 h ILE 134 N 0.03 1.55 -0.71 1.22 2.04 -1.06 -3.38 117.51 117.21 3d29 h ILE 134 Ca -0.40 -2.39 0.14 0.00 1.00 0.00 0.00 64.86 63.21 3d29 h ILE 134 Cb 2.02 3.16 -0.14 0.00 -0.74 0.00 0.00 36.82 41.12 3d29 h ILE 134 CO 0.10 0.62 -0.19 0.24 0.00 0.00 0.00 178.15 178.91 3d29 h MET 135 N -0.76 -0.01 -0.63 2.37 2.86 -1.36 -0.05 114.93 117.35 3d29 h MET 135 Ca -0.11 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 3d29 h MET 135 Cb 1.28 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.87 3d29 h MET 135 CO 0.03 -0.01 0.25 -1.35 1.06 0.00 0.00 176.91 176.89 3d29 h PRO 136 N -0.01 0.43 -0.61 -0.22 0.11 -1.80 0.22 132.00 130.11 3d29 h PRO 136 Ca 0.34 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.46 3d29 h PRO 136 Cb 0.53 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 3d29 h PRO 136 CO -0.74 0.28 0.36 0.35 -0.21 0.00 0.00 178.00 178.04 3d29 h PHE 137 N 0.44 0.66 -0.56 0.65 3.57 -1.23 -2.06 116.94 118.42 3d29 h PHE 137 Ca 0.32 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.74 3d29 h PHE 137 Cb 0.38 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3d29 h PHE 137 CO -0.16 0.36 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.17 3d29 h LEU 138 N 0.69 0.98 -1.18 0.59 4.07 -0.18 0.28 115.31 120.57 3d29 h LEU 138 Ca 0.25 -0.29 0.06 0.00 0.08 0.00 0.00 57.88 57.98 3d29 h LEU 138 Cb 0.07 -0.27 -0.06 0.00 1.08 0.00 0.00 40.66 41.49 3d29 h LEU 138 CO -0.13 1.06 0.57 0.44 -1.08 0.00 0.00 178.44 179.31 3d29 h ASP 139 N 0.91 0.88 0.04 -0.43 3.32 0.04 -0.18 116.42 120.99 3d29 h ASP 139 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3d29 h ASP 139 Cb 0.59 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3d29 h ASP 139 CO 0.04 0.58 -0.02 -1.13 -1.72 0.00 0.00 179.24 176.99 3d29 h ASN 140 N 1.01 -0.04 1.05 6.45 -0.00 -1.02 -2.32 115.58 120.71 3d29 h ASN 140 Ca 0.37 -0.64 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 3d29 h ASN 140 Cb 0.17 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.50 3d29 h ASN 140 CO -0.13 0.72 -0.27 0.00 -0.00 0.00 0.00 177.43 177.75 3d29 n GLN 141 N -4.74 0.18 -0.04 6.67 1.13 0.06 -1.68 117.38 118.96 3d29 n GLN 141 Ca -0.08 0.10 -0.04 0.00 -1.94 0.00 0.00 57.00 55.04 3d29 n GLN 141 Cb 0.33 -1.67 -0.07 0.00 0.11 0.00 0.00 30.24 28.94 3d29 n GLN 141 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3d29 n VAL 142 N -1.96 0.62 -0.66 5.09 0.31 -0.09 -4.65 118.33 117.00 3d29 n VAL 142 Ca 0.05 -0.38 0.06 0.00 -0.01 0.00 0.00 64.34 64.05 3d29 n VAL 142 Cb 0.40 -0.76 0.08 0.00 -0.91 0.00 0.00 33.84 32.66 3d29 n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3d29 n ASN 143 N -2.34 2.17 -3.74 4.52 3.02 -1.17 -4.98 115.26 112.74 3d29 n ASN 143 Ca -0.15 -2.63 -0.27 0.00 -0.03 0.00 0.00 54.58 51.50 3d29 n ASN 143 Cb 0.80 -0.25 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 3d29 n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3d29 n PHE 144 N -1.04 -1.56 -1.89 3.10 3.72 -0.67 -4.88 117.46 114.24 3d29 n PHE 144 Ca 0.09 0.47 -0.41 0.00 -0.05 0.00 0.00 57.45 57.56 3d29 n PHE 144 Cb 0.49 -1.96 -0.01 0.00 -0.94 0.00 0.00 39.48 37.06 3d29 n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3d29 s LYS 14 N -6.38 4.18 -1.79 -1.08 -0.14 -0.88 -2.28 119.74 111.37 3d29 s LYS 14 Ca 0.52 2.47 0.00 0.00 -1.36 0.00 0.00 55.97 57.60 3d29 s LYS 14 Cb -0.30 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.84 3d29 s LYS 14 CO 0.64 -0.46 0.00 0.09 -0.76 0.00 0.00 175.35 174.86 3d29 n ASN 14 N 0.94 -5.06 -4.43 2.83 4.13 -1.26 -4.65 115.26 107.76 3d29 n ASN 14 Ca 0.02 0.39 -0.33 0.00 1.68 0.00 0.00 54.58 56.34 3d29 n ASN 14 Cb 0.40 -4.07 -0.13 0.00 -1.54 0.00 0.00 39.78 34.43 3d29 n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3d29 s GLN 14 N -3.56 3.24 0.37 3.52 -0.21 -0.97 -5.09 119.66 116.97 3d29 s GLN 14 Ca 0.00 -0.65 0.04 0.00 0.02 0.00 0.00 55.36 54.78 3d29 s GLN 14 Cb 0.00 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.31 3d29 s GLN 14 CO 0.00 0.32 0.05 0.71 -2.12 0.00 0.00 175.29 174.25 3d29 s TYR 14 N 0.08 2.09 -0.11 0.91 2.02 -1.26 -1.35 117.35 119.73 3d29 s TYR 14 Ca -0.04 -0.92 -0.30 0.00 -0.37 0.00 0.00 57.07 55.44 3d29 s TYR 14 Cb -0.14 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 3d29 s TYR 14 CO 0.04 0.11 1.06 -1.21 -1.57 0.00 0.00 175.55 173.99 3d29 s GLU 14 N -3.82 4.38 0.89 -0.62 0.41 0.10 -4.62 118.70 115.43 3d29 s GLU 14 Ca 0.32 1.46 -0.13 0.00 -0.41 0.00 0.00 54.97 56.21 3d29 s GLU 14 Cb 0.08 -3.56 0.05 0.00 -1.78 0.00 0.00 34.13 28.91 3d29 s GLU 14 CO 0.15 -0.39 0.63 -2.30 -0.49 0.00 0.00 175.26 172.86 3d29 n PRO 14 N 5.23 -0.17 0.00 0.39 -0.02 -1.26 -2.81 135.00 136.35 3d29 n PRO 14 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 3d29 n PRO 14 Cb 0.48 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3d29 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d29 n GLY 14 N 1.23 0.61 0.46 -1.23 0.00 -1.26 -4.70 105.19 100.30 3d29 n GLY 14 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3d29 n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d29 n THR 14 N -0.58 0.00 -3.78 2.61 -2.24 -1.12 -4.84 114.28 104.33 3d29 n THR 14 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 3d29 n THR 14 Cb 0.00 -0.37 0.01 0.00 -2.10 0.00 0.00 70.33 67.88 3d29 n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3d29 n ASN 1 N 0.06 -1.42 -3.71 3.42 4.05 -1.26 -1.94 115.26 114.46 3d29 n ASN 1 Ca 0.00 -0.91 -0.28 0.00 0.45 0.00 0.00 54.58 53.85 3d29 n ASN 1 Cb 0.18 -3.63 -0.02 0.00 1.23 0.00 0.00 39.78 37.53 3d29 n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3d29 n GLY 14 N -1.73 -0.46 0.07 8.20 0.00 -1.26 -4.79 105.19 105.22 3d29 n GLY 14 Ca -0.28 0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 3d29 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d29 n LYS 14 N -3.79 1.32 -0.87 1.61 4.76 -0.82 -5.06 118.16 115.32 3d29 n LYS 14 Ca 0.04 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 3d29 n LYS 14 Cb 0.50 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 3d29 n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3d29 n VAL 14 N -2.67 0.00 -3.99 -0.18 0.31 -1.26 -5.04 118.33 105.50 3d29 n VAL 14 Ca -0.25 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.73 3d29 n VAL 14 Cb 0.90 -1.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.72 3d29 n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3d29 s LYS 14 N -1.34 3.84 0.85 5.55 2.20 -0.46 0.02 119.74 130.41 3d29 s LYS 14 Ca 0.00 -0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 55.07 3d29 s LYS 14 Cb 0.00 -3.21 0.04 0.00 -1.51 0.00 0.00 37.83 33.15 3d29 s LYS 14 CO 0.00 0.13 0.74 -0.35 -0.36 0.00 0.00 175.35 175.51 3d29 n PRO 14 N 3.96 -0.02 -1.86 4.03 -0.04 -1.26 -4.90 135.00 134.91 3d29 n PRO 14 Ca -0.16 0.05 -0.35 0.00 -0.04 0.00 0.00 63.50 63.00 3d29 n PRO 14 Cb 0.52 -2.07 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 3d29 n PRO 14 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3d29 n LEU 14 N -1.92 7.18 -4.31 1.53 4.77 -1.26 -4.96 117.00 118.03 3d29 n LEU 14 Ca 0.10 -4.61 -0.32 0.00 -0.03 0.00 0.00 56.01 51.15 3d29 n LEU 14 Cb 0.52 -1.21 0.17 0.00 -2.33 0.00 0.00 43.42 40.56 3d29 n LEU 14 CO 0.50 1.85 -0.43 1.17 -1.33 0.00 0.00 177.39 179.14 3d29 n LYS 14 N 0.54 -1.39 -5.08 3.23 4.81 -1.26 -4.97 118.16 114.04 3d29 n LYS 14 Ca 0.53 -0.38 -0.31 0.00 -0.87 0.00 0.00 58.31 57.27 3d29 n LYS 14 Cb 0.37 -1.74 -0.15 0.00 0.02 0.00 0.00 35.03 33.53 3d29 n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3d29 s TYR 145 N -2.27 2.40 0.31 5.64 6.14 -1.26 -5.07 117.35 123.25 3d29 s TYR 145 Ca 0.56 -0.37 -0.29 0.00 0.64 0.00 0.00 57.07 57.61 3d29 s TYR 145 Cb -0.14 -1.49 -0.10 0.00 0.42 0.00 0.00 41.96 40.66 3d29 s TYR 145 CO 0.66 0.07 1.15 -0.51 0.64 0.00 0.00 175.55 177.56 3d29 s LEU 146 N -0.88 4.47 0.34 6.97 1.43 -1.26 -5.01 118.68 124.73 3d29 s LEU 146 Ca 0.11 2.35 -0.04 0.00 -1.03 0.00 0.00 54.13 55.52 3d29 s LEU 146 Cb -0.10 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 3d29 s LEU 146 CO 0.01 -0.29 0.60 -0.94 0.23 0.00 0.00 176.35 175.95 3d29 s SER 147 N -0.86 6.39 0.38 2.29 1.04 -1.26 -4.42 113.70 117.26 3d29 s SER 147 Ca 0.47 0.71 0.15 0.00 0.48 0.00 0.00 55.95 57.76 3d29 s SER 147 Cb -0.33 -2.14 1.00 0.00 0.10 0.00 0.00 66.02 64.65 3d29 s SER 147 CO 0.43 -0.28 1.79 1.62 0.98 0.00 0.00 173.24 177.78 3d29 h VAL 148 N 1.05 0.61 -0.53 5.02 3.04 -1.98 0.14 116.25 123.60 3d29 h VAL 148 Ca -0.48 -0.17 -0.06 0.00 -1.01 0.00 0.00 66.70 64.98 3d29 h VAL 148 Cb 1.20 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.53 3d29 h VAL 148 CO 0.64 0.09 0.09 -0.33 -1.01 0.00 0.00 177.57 177.05 3d29 h GLU 149 N 0.49 0.88 -0.10 4.17 3.07 -2.00 -0.91 114.58 120.18 3d29 h GLU 149 Ca 0.56 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 59.02 3d29 h GLU 149 Cb 1.25 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3d29 h GLU 149 CO -0.29 0.86 -0.63 1.49 -1.40 0.00 0.00 179.01 179.04 3d29 h GLU 150 N 0.76 0.37 -0.49 2.33 4.57 -1.39 -2.92 114.58 117.82 3d29 h GLU 150 Ca 0.16 -0.26 -0.07 0.00 -1.18 0.00 0.00 59.36 58.01 3d29 h GLU 150 Cb 0.40 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 3d29 h GLU 150 CO 0.01 0.88 0.03 0.28 -1.18 0.00 0.00 179.01 179.03 3d29 h VAL 151 N 0.27 1.26 -0.10 0.32 2.07 -0.57 -2.57 116.25 116.93 3d29 h VAL 151 Ca -0.01 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.45 3d29 h VAL 151 Cb 1.16 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3d29 h VAL 151 CO 0.11 0.36 -0.11 0.40 0.02 0.00 0.00 177.57 178.34 3d29 h ILE 152 N 0.70 1.14 -0.33 4.57 1.08 -1.13 -1.72 117.51 121.83 3d29 h ILE 152 Ca 0.14 -0.63 -0.06 0.00 -0.39 0.00 0.00 64.86 63.92 3d29 h ILE 152 Cb 0.47 1.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.41 3d29 h ILE 152 CO 0.02 0.19 -0.04 0.11 -0.69 0.00 0.00 178.15 177.74 3d29 h LYS 153 N 0.15 0.60 -0.59 2.37 1.57 -1.27 -1.54 116.57 117.86 3d29 h LYS 153 Ca 0.03 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3d29 h LYS 153 Cb 0.30 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3d29 h LYS 153 CO 0.02 0.76 0.26 -0.07 -0.57 0.00 0.00 179.45 179.85 3d29 h LEU 154 N 0.39 0.79 -0.48 2.94 3.38 -1.13 -0.10 115.31 121.10 3d29 h LEU 154 Ca 0.09 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3d29 h LEU 154 Cb 0.51 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3d29 h LEU 154 CO 0.02 0.72 0.31 0.58 0.09 0.00 0.00 178.44 180.16 3d29 h VAL 155 N 0.81 1.09 -0.40 1.22 2.07 -1.20 0.71 116.25 120.56 3d29 h VAL 155 Ca 0.20 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 3d29 h VAL 155 Cb 0.16 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3d29 h VAL 155 CO -0.02 0.11 -0.12 0.03 0.02 0.00 0.00 177.57 177.59 3d29 h ARG 156 N 0.62 0.78 -0.11 1.57 3.08 -0.99 -1.62 114.38 117.70 3d29 h ARG 156 Ca 0.18 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 3d29 h ARG 156 Cb -0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3d29 h ARG 156 CO -0.06 0.93 -0.46 -0.44 -1.07 0.00 0.00 179.97 178.88 3d29 h ASP 157 N 0.59 0.29 -0.49 7.04 3.45 -0.72 -0.99 116.42 125.58 3d29 h ASP 157 Ca 0.10 -0.13 -0.03 0.00 0.43 0.00 0.00 57.03 57.40 3d29 h ASP 157 Cb 0.66 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 3d29 h ASP 157 CO 0.04 0.71 0.19 0.28 -1.57 0.00 0.00 179.24 178.89 3d29 h SER 158 N 0.22 0.68 0.10 6.45 0.02 0.64 -2.40 113.55 119.26 3d29 h SER 158 Ca 0.01 -0.18 -0.25 0.00 -0.84 0.00 0.00 61.79 60.54 3d29 h SER 158 Cb 0.89 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 63.27 3d29 h SER 158 CO 0.07 0.67 -1.00 -0.26 -1.14 0.00 0.00 176.83 175.18 3d29 h PHE 159 N 0.65 0.92 -0.17 3.45 -1.00 -1.09 -1.72 116.94 117.97 3d29 h PHE 159 Ca 0.16 -0.49 -0.05 0.00 2.81 0.00 0.00 57.97 60.40 3d29 h PHE 159 Cb 0.21 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 3d29 h PHE 159 CO 0.01 1.32 -0.12 1.79 -1.61 0.00 0.00 178.31 179.70 3d29 h THR 160 N 0.35 1.18 -0.03 -1.55 1.35 -1.20 0.30 112.91 113.31 3d29 h THR 160 Ca -0.11 -0.80 -0.02 0.00 -0.55 0.00 0.00 66.41 64.93 3d29 h THR 160 Cb 1.65 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 3d29 h THR 160 CO 0.19 0.25 -0.06 0.28 -0.25 0.00 0.00 175.52 175.93 3d29 h SER 161 N 0.26 0.12 -0.99 5.36 0.02 -1.39 -2.32 113.55 114.61 3d29 h SER 161 Ca 0.05 -0.56 0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3d29 h SER 161 Cb 0.38 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.83 3d29 h SER 161 CO 0.02 0.66 0.64 0.00 -1.14 0.00 0.00 176.83 177.01 3d29 h ALA 162 N 0.46 1.31 0.00 3.77 0.00 -0.97 -1.28 119.26 122.55 3d29 h ALA 162 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3d29 h ALA 162 Cb 0.64 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3d29 h ALA 162 CO 0.01 0.53 -0.11 1.15 0.00 0.00 0.00 179.25 180.83 3d29 h THR 163 N 1.24 0.93 -0.12 0.00 2.02 -0.31 -0.60 112.91 116.06 3d29 h THR 163 Ca 0.40 -0.39 -0.19 0.00 0.77 0.00 0.00 66.41 67.00 3d29 h THR 163 Cb 0.02 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3d29 h THR 163 CO -0.13 0.11 -0.69 -0.33 0.37 0.00 0.00 175.52 174.84 3d29 h GLU 164 N 0.00 0.53 -0.00 6.66 4.39 -0.65 -3.37 114.58 122.14 3d29 h GLU 164 Ca -0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3d29 h GLU 164 Cb 0.21 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3d29 h GLU 164 CO 0.01 1.03 -0.48 0.54 -1.16 0.00 0.00 179.01 178.96 3d29 n ARG 165 N -3.89 2.98 -4.10 2.33 5.12 -1.06 -4.94 116.66 113.10 3d29 n ARG 165 Ca -0.05 -0.14 -0.33 0.00 -1.93 0.00 0.00 57.85 55.41 3d29 n ARG 165 Cb 0.69 -1.06 -0.16 0.00 -1.16 0.00 0.00 32.46 30.77 3d29 n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3d29 s HIS 166 N -1.96 2.90 0.21 -1.55 2.46 -0.26 -5.01 115.29 112.08 3d29 s HIS 166 Ca 0.05 -1.79 0.35 0.00 0.47 0.00 0.00 55.06 54.14 3d29 s HIS 166 Cb 0.09 -1.93 1.74 0.00 -0.13 0.00 0.00 32.58 32.35 3d29 s HIS 166 CO 0.43 -0.82 2.05 -0.84 -2.47 0.00 0.00 174.74 173.09 3d29 h ILE 167 N 6.13 0.00 -0.02 0.89 3.07 -1.87 -2.29 117.51 123.42 3d29 h ILE 167 Ca -0.40 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 65.87 3d29 h ILE 167 Cb 1.12 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.65 3d29 h ILE 167 CO 0.60 0.00 -0.12 0.00 -1.05 0.00 0.00 178.15 177.58 3d29 n GLN 168 N -2.79 1.54 -4.52 0.16 6.02 -1.26 -4.86 117.38 111.66 3d29 n GLN 168 Ca -0.01 -1.04 -0.33 0.00 -0.01 0.00 0.00 57.00 55.60 3d29 n GLN 168 Cb 0.13 -1.48 -0.13 0.00 1.02 0.00 0.00 30.24 29.79 3d29 n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3d29 s VAL 169 N -2.18 3.65 -4.00 5.09 1.01 -0.86 -3.08 120.40 120.02 3d29 s VAL 169 Ca 0.30 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3d29 s VAL 169 Cb 0.20 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 34.00 3d29 s VAL 169 CO 0.40 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.62 3d29 n GLY 170 N 3.47 -0.53 5.00 4.51 0.00 -1.26 -4.50 105.19 111.89 3d29 n GLY 170 Ca -0.18 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3d29 n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d29 n ASP 171 N 0.00 0.00 -3.46 1.61 8.00 0.01 -3.88 116.55 118.83 3d29 n ASP 171 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3d29 n ASP 171 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3d29 n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3d29 s GLY 172 N 0.00 -0.56 -0.13 0.44 0.00 -1.26 -1.58 107.32 104.23 3d29 s GLY 172 Ca 0.00 0.79 0.01 0.00 0.00 0.00 0.00 44.72 45.52 3d29 s GLY 172 CO 0.00 0.34 -0.16 -2.27 0.00 0.00 0.00 173.10 171.02 3d29 s LEU 173 N -2.41 1.75 -0.16 0.66 2.96 0.31 -0.62 118.68 121.17 3d29 s LEU 173 Ca 0.00 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3d29 s LEU 173 Cb -0.01 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.54 3d29 s LEU 173 CO -0.08 -0.00 -0.21 -0.70 -1.32 0.00 0.00 176.35 174.04 3d29 s GLU 174 N 1.14 3.01 -0.08 1.98 2.12 -0.68 -0.56 118.70 125.62 3d29 s GLU 174 Ca -0.03 -0.84 0.02 0.00 0.36 0.00 0.00 54.97 54.49 3d29 s GLU 174 Cb -0.14 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 3d29 s GLU 174 CO -0.05 -0.12 -0.15 0.42 -0.54 0.00 0.00 175.26 174.82 3d29 s ILE 175 N 1.07 2.93 -0.21 -3.70 1.01 0.06 -2.15 121.20 120.21 3d29 s ILE 175 Ca -0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 3d29 s ILE 175 Cb -0.14 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 3d29 s ILE 175 CO -0.08 0.56 -0.08 -0.76 0.00 0.00 0.00 174.94 174.58 3d29 s LEU 176 N -0.21 2.71 -0.18 2.97 1.02 -0.78 -1.15 118.68 123.06 3d29 s LEU 176 Ca 0.00 -0.47 -0.08 0.00 0.02 0.00 0.00 54.13 53.61 3d29 s LEU 176 Cb -0.13 -1.67 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 3d29 s LEU 176 CO 0.03 -0.02 0.07 -0.63 0.02 0.00 0.00 176.35 175.83 3d29 s ILE 177 N 1.43 4.89 -0.15 -0.59 1.09 0.11 -1.79 121.20 126.19 3d29 s ILE 177 Ca 0.05 0.00 -0.01 0.00 -1.10 0.00 0.00 60.65 59.60 3d29 s ILE 177 Cb -0.14 -3.20 -0.01 0.00 -1.06 0.00 0.00 42.46 38.05 3d29 s ILE 177 CO -0.06 0.47 -0.13 -0.69 -0.10 0.00 0.00 174.94 174.44 3d29 s VAL 178 N 0.26 2.94 0.36 2.92 1.01 0.25 -0.44 120.40 127.71 3d29 s VAL 178 Ca 0.05 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.40 3d29 s VAL 178 Cb -0.12 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 3d29 s VAL 178 CO -0.00 0.51 0.19 0.42 0.00 0.00 0.00 175.10 176.22 3d29 s THR 179 N 0.70 0.31 0.49 3.92 -4.23 0.17 -1.95 115.64 115.06 3d29 s THR 179 Ca -0.06 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.60 3d29 s THR 179 Cb -0.15 -2.42 0.28 0.00 1.34 0.00 0.00 72.50 71.55 3d29 s THR 179 CO 0.02 0.00 2.11 0.07 -0.54 0.00 0.00 174.62 176.28 3d29 h LYS 180 N 1.98 0.14 0.00 3.99 2.10 -1.93 -0.15 116.57 122.70 3d29 h LYS 180 Ca -0.31 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3d29 h LYS 180 Cb 1.25 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3d29 h LYS 180 CO 0.48 0.09 0.00 -0.25 -2.00 0.00 0.00 179.45 177.77 3d29 n ASP 182 N -4.51 0.31 0.00 7.07 8.00 -1.26 -5.01 116.55 121.15 3d29 n ASP 182 Ca 0.00 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.05 3d29 n ASP 182 Cb 0.14 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 3d29 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d29 n GLY 183 N 0.68 0.65 3.20 0.44 0.00 -0.07 -5.05 105.19 105.04 3d29 n GLY 183 Ca 0.05 -1.79 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 3d29 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d29 s VAL 184 N -2.66 2.51 0.20 1.61 1.01 -1.26 -0.65 120.40 121.16 3d29 s VAL 184 Ca 0.00 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.28 3d29 s VAL 184 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3d29 s VAL 184 CO 0.00 0.51 -0.09 -0.60 0.00 0.00 0.00 175.10 174.92 3d29 s ARG 185 N 1.24 2.06 0.06 2.72 3.52 0.41 -4.94 118.95 124.03 3d29 s ARG 185 Ca 0.03 -1.33 0.08 0.00 -0.13 0.00 0.00 55.73 54.39 3d29 s ARG 185 Cb -0.14 -2.13 -0.03 0.00 -1.56 0.00 0.00 34.95 31.09 3d29 s ARG 185 CO -0.08 0.42 -0.23 0.15 -0.81 0.00 0.00 175.30 174.75 3d29 s LYS 186 N -3.00 1.44 0.01 5.12 1.02 -1.26 0.07 119.74 123.15 3d29 s LYS 186 Ca 0.26 -1.05 0.02 0.00 0.02 0.00 0.00 55.97 55.22 3d29 s LYS 186 Cb -0.08 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.58 3d29 s LYS 186 CO 0.16 0.41 -0.07 -1.21 -0.92 0.00 0.00 175.35 173.72 3d29 s GLU 187 N -1.39 0.49 -0.03 1.68 2.02 -0.30 -4.99 118.70 116.17 3d29 s GLU 187 Ca 0.09 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.68 3d29 s GLU 187 Cb -0.09 -0.39 0.01 0.00 0.10 0.00 0.00 34.13 33.75 3d29 s GLU 187 CO 0.03 0.10 -0.08 0.12 0.02 0.00 0.00 175.26 175.44 3d29 s PHE 188 N -0.60 0.95 -0.01 1.61 5.36 -1.26 -0.76 117.98 123.26 3d29 s PHE 188 Ca -0.02 -0.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.72 3d29 s PHE 188 Cb -0.05 -0.71 -0.00 0.00 -0.34 0.00 0.00 43.02 41.92 3d29 s PHE 188 CO 0.00 -0.13 -0.09 0.71 -1.46 0.00 0.00 175.22 174.24 3d29 s TYR 189 N 0.38 0.87 0.67 10.12 1.51 0.27 -4.99 117.35 126.19 3d29 s TYR 189 Ca -0.06 -0.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.69 3d29 s TYR 189 Cb -0.10 -0.58 0.00 0.00 -0.11 0.00 0.00 41.96 41.16 3d29 s TYR 189 CO 0.01 -0.04 1.07 -1.21 -1.11 0.00 0.00 175.55 174.26 3d29 s GLU 190 N -0.08 2.95 0.17 -0.62 2.02 -1.26 0.11 118.70 121.99 3d29 s GLU 190 Ca 0.01 1.08 0.04 0.00 0.02 0.00 0.00 54.97 56.12 3d29 s GLU 190 Cb -0.05 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 3d29 s GLU 190 CO -0.00 -1.09 -0.07 -0.51 0.02 0.00 0.00 175.26 173.61 3d29 s LEU 191 N -5.25 2.41 0.44 1.80 1.43 -0.62 -4.68 118.68 114.21 3d29 s LEU 191 Ca 0.60 -1.08 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 3d29 s LEU 191 Cb -0.15 -0.29 -0.10 0.00 0.03 0.00 0.00 46.19 45.69 3d29 s LEU 191 CO 0.49 -0.41 1.14 0.29 0.23 0.00 0.00 176.35 178.10 3d29 n LYS 192 N -0.25 1.59 -0.32 1.70 5.02 -1.26 -3.59 118.16 121.06 3d29 n LYS 192 Ca -0.09 0.57 0.11 0.00 -2.02 0.00 0.00 58.31 56.88 3d29 n LYS 192 Cb 0.62 -2.23 0.28 0.00 -0.02 0.00 0.00 35.03 33.68 3d29 n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3d29 n ARG 193 N -0.03 2.72 0.00 1.97 1.74 -1.26 -0.81 116.66 120.98 3d29 n ARG 193 Ca 0.08 -2.51 0.14 0.00 -0.77 0.00 0.00 57.85 54.80 3d29 n ARG 193 Cb 0.40 -1.51 0.55 0.00 -1.02 0.00 0.00 32.46 30.89 3d29 n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71