#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw s PHE -8 N 0.00 3.28 -0.34 3.69 5.36 -1.26 -5.01 117.98 123.70 3gpw s PHE -8 Ca 0.00 1.22 -0.09 0.00 -0.96 0.00 0.00 56.93 57.10 3gpw s PHE -8 Cb 0.00 -3.44 0.02 0.00 -0.34 0.00 0.00 43.02 39.26 3gpw s PHE -8 CO 0.00 -1.40 0.15 1.21 -1.46 0.00 0.00 175.22 173.72 3gpw s ASN -7 N 1.31 5.50 0.00 6.13 3.04 -1.26 -4.97 114.94 124.70 3gpw s ASN -7 Ca 0.58 -0.90 0.14 0.00 0.04 0.00 0.00 52.86 52.72 3gpw s ASN -7 Cb -0.28 -1.96 0.75 0.00 -1.54 0.00 0.00 41.25 38.23 3gpw s ASN -7 CO 0.26 -0.31 1.34 -0.81 -3.04 0.00 0.00 177.10 174.55 3gpw n PRO -6 N 4.93 0.28 -4.42 0.43 -0.04 -1.26 -4.80 135.00 130.11 3gpw n PRO -6 Ca -0.13 0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 63.20 3gpw n PRO -6 Cb 0.47 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 3gpw n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3gpw s TYR -5 N -2.39 2.41 0.25 0.54 1.51 -1.26 -5.08 117.35 113.32 3gpw s TYR -5 Ca 0.16 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 55.79 3gpw s TYR -5 Cb 0.09 -1.05 -0.00 0.00 -0.11 0.00 0.00 41.96 40.89 3gpw s TYR -5 CO 0.20 0.69 0.49 0.20 -1.11 0.00 0.00 175.55 176.01 3gpw s GLY -4 N -3.56 0.49 -0.18 0.71 0.00 -1.26 -5.15 107.32 98.37 3gpw s GLY -4 Ca 0.30 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.19 3gpw s GLY -4 CO 0.16 -0.60 -0.10 -0.35 0.00 0.00 0.00 173.10 172.22 3gpw s ASP -3 N -3.01 3.08 -0.02 1.64 3.68 -1.26 -4.18 116.67 116.60 3gpw s ASP -3 Ca 0.22 -0.73 0.16 0.00 2.13 0.00 0.00 52.55 54.32 3gpw s ASP -3 Cb -0.01 -1.13 0.50 0.00 -1.45 0.00 0.00 42.92 40.83 3gpw s ASP -3 CO 0.08 -0.14 1.41 0.59 0.13 0.00 0.00 175.17 177.25 3gpw n ASN -2 N 4.76 3.10 0.00 -0.34 4.13 -0.78 -4.46 115.26 121.66 3gpw n ASN -2 Ca -0.14 -2.07 0.00 0.00 1.68 0.00 0.00 54.58 54.05 3gpw n ASN -2 Cb 0.48 -0.39 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 3gpw n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gpw n GLY -1 N 1.29 1.86 0.30 7.41 0.00 -1.26 -1.76 105.19 113.02 3gpw n GLY -1 Ca 0.19 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.64 3gpw n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gpw n GLY 1 N 0.00 -2.79 3.11 -0.02 0.00 -1.25 -4.34 105.19 99.90 3gpw n GLY 1 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 3gpw n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gpw s THR 2 N -3.30 0.01 0.08 2.61 2.01 -1.26 -1.36 115.64 114.42 3gpw s THR 2 Ca 0.00 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.97 3gpw s THR 2 Cb 0.00 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.15 3gpw s THR 2 CO 0.00 -0.04 -0.11 0.27 -0.69 0.00 0.00 174.62 174.05 3gpw s ILE 3 N -0.06 0.94 -0.01 1.82 -4.36 0.97 -2.18 121.20 118.32 3gpw s ILE 3 Ca -0.02 -1.42 0.00 0.00 -0.26 0.00 0.00 60.65 58.96 3gpw s ILE 3 Cb -0.02 -1.12 0.02 0.00 1.25 0.00 0.00 42.46 42.58 3gpw s ILE 3 CO 0.01 -0.40 0.00 -0.22 0.24 0.00 0.00 174.94 174.57 3gpw s LEU 4 N -2.04 1.50 -0.10 0.37 2.96 0.83 0.56 118.68 122.76 3gpw s LEU 4 Ca 0.00 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3gpw s LEU 4 Cb -0.07 -0.12 0.02 0.00 0.50 0.00 0.00 46.19 46.52 3gpw s LEU 4 CO 0.01 -0.06 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.02 3gpw s GLY 5 N 0.59 0.96 -0.05 7.98 0.00 -0.10 0.40 107.32 117.10 3gpw s GLY 5 Ca -0.05 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.06 3gpw s GLY 5 CO -0.01 0.29 -0.13 -0.42 0.00 0.00 0.00 173.10 172.83 3gpw s ILE 6 N 1.02 1.11 -0.30 0.90 1.01 -0.41 -0.59 121.20 123.95 3gpw s ILE 6 Ca -0.07 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 3gpw s ILE 6 Cb -0.15 -0.99 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3gpw s ILE 6 CO -0.01 0.34 0.20 0.00 0.00 0.00 0.00 174.94 175.47 3gpw s ALA 7 N 0.33 3.52 0.75 9.38 0.00 0.91 -0.59 121.76 136.06 3gpw s ALA 7 Ca -0.08 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.68 3gpw s ALA 7 Cb -0.12 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.60 3gpw s ALA 7 CO 0.02 -0.67 1.04 0.20 0.00 0.00 0.00 175.76 176.35 3gpw s GLY 8 N 1.75 1.76 0.24 0.00 0.00 0.32 -4.92 107.32 106.47 3gpw s GLY 8 Ca 0.07 -1.61 -0.07 0.00 0.00 0.00 0.00 44.72 43.11 3gpw s GLY 8 CO 0.11 -1.03 1.88 -2.09 0.00 0.00 0.00 173.10 171.97 3gpw h GLU 9 N -0.68 1.28 0.00 2.90 4.81 -1.92 -2.53 114.58 118.44 3gpw h GLU 9 Ca -0.38 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 3gpw h GLU 9 Cb 1.26 -0.26 -0.25 0.00 0.63 0.00 0.00 28.75 30.13 3gpw h GLU 9 CO 0.41 0.90 -0.83 -0.40 -0.73 0.00 0.00 179.01 178.36 3gpw n ASP 10 N -4.36 0.77 -3.89 1.04 5.75 -1.26 -2.19 116.55 112.40 3gpw n ASP 10 Ca 0.10 -2.12 -0.08 0.00 -0.01 0.00 0.00 54.79 52.68 3gpw n ASP 10 Cb 0.07 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 39.83 3gpw n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3gpw s PHE 11 N -0.22 0.04 -0.15 2.11 -0.12 -1.24 -4.51 117.98 113.88 3gpw s PHE 11 Ca 0.24 -0.44 -0.22 0.00 -0.05 0.00 0.00 56.93 56.46 3gpw s PHE 11 Cb 0.27 0.45 0.06 0.00 -0.63 0.00 0.00 43.02 43.17 3gpw s PHE 11 CO -0.11 -1.09 0.58 0.00 -0.05 0.00 0.00 175.22 174.55 3gpw s ALA 12 N -3.95 -1.45 0.14 1.99 0.00 -0.63 0.12 121.76 117.96 3gpw s ALA 12 Ca 0.15 1.42 0.09 0.00 0.00 0.00 0.00 51.96 53.62 3gpw s ALA 12 Cb -0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 3gpw s ALA 12 CO 0.06 -0.30 -0.22 0.14 0.00 0.00 0.00 175.76 175.45 3gpw s VAL 13 N -0.26 1.92 -0.15 0.00 -7.23 0.24 -0.42 120.40 114.50 3gpw s VAL 13 Ca -0.04 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.34 3gpw s VAL 13 Cb -0.03 -1.79 0.05 0.00 0.56 0.00 0.00 36.38 35.18 3gpw s VAL 13 CO 0.03 -0.11 0.08 -0.22 -0.31 0.00 0.00 175.10 174.57 3gpw s LEU 14 N -2.24 0.40 0.33 1.32 0.20 -0.67 -1.29 118.68 116.74 3gpw s LEU 14 Ca 0.12 -0.50 0.09 0.00 0.69 0.00 0.00 54.13 54.53 3gpw s LEU 14 Cb -0.09 -0.27 -0.05 0.00 -0.43 0.00 0.00 46.19 45.35 3gpw s LEU 14 CO 0.06 -0.32 0.02 0.00 -0.29 0.00 0.00 176.35 175.81 3gpw s ALA 15 N 2.11 3.21 -0.24 5.97 0.00 0.16 -1.67 121.76 131.30 3gpw s ALA 15 Ca 0.02 -1.93 -0.27 0.00 0.00 0.00 0.00 51.96 49.78 3gpw s ALA 15 Cb -0.15 -0.42 0.13 0.00 0.00 0.00 0.00 23.12 22.68 3gpw s ALA 15 CO -0.08 0.08 1.05 0.20 0.00 0.00 0.00 175.76 177.02 3gpw s GLY 16 N -3.72 -0.15 0.98 0.00 0.00 -0.88 -0.12 107.32 103.43 3gpw s GLY 16 Ca 0.35 2.52 -0.12 0.00 0.00 0.00 0.00 44.72 47.47 3gpw s GLY 16 CO 0.19 1.57 1.08 0.51 0.00 0.00 0.00 173.10 176.45 3gpw s ASP 17 N -0.25 2.72 -0.13 1.64 3.84 -0.93 -2.02 116.67 121.55 3gpw s ASP 17 Ca 0.02 1.48 0.15 0.00 -0.00 0.00 0.00 52.55 54.20 3gpw s ASP 17 Cb -0.03 -2.16 0.45 0.00 -1.38 0.00 0.00 42.92 39.80 3gpw s ASP 17 CO -0.04 -3.11 1.36 0.35 -0.00 0.00 0.00 175.17 173.73 3gpw n THR 18 N -4.19 1.94 -3.23 2.11 -2.24 0.97 -4.71 114.28 104.93 3gpw n THR 18 Ca 0.06 -1.67 -0.39 0.00 -2.27 0.00 0.00 64.05 59.78 3gpw n THR 18 Cb 0.55 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 3gpw n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3gpw s ARG 19 N -2.36 4.30 -0.16 -0.78 3.52 -1.25 -1.89 118.95 120.33 3gpw s ARG 19 Ca 0.36 0.68 0.01 0.00 -0.13 0.00 0.00 55.73 56.66 3gpw s ARG 19 Cb 0.28 -3.35 0.02 0.00 -1.56 0.00 0.00 34.95 30.34 3gpw s ARG 19 CO 0.10 0.35 -0.16 1.21 -0.81 0.00 0.00 175.30 175.98 3gpw s ASN 20 N -0.10 2.82 0.37 -2.12 3.84 -0.69 -4.23 114.94 114.84 3gpw s ASN 20 Ca 0.30 -0.54 0.06 0.00 0.21 0.00 0.00 52.86 52.90 3gpw s ASN 20 Cb -0.18 -1.28 -0.07 0.00 -0.55 0.00 0.00 41.25 39.17 3gpw s ASN 20 CO 0.16 -0.03 0.01 0.27 -2.79 0.00 0.00 177.10 174.72 3gpw s ILE 21 N 1.37 1.77 -0.23 -5.21 -5.25 -0.73 0.32 121.20 113.24 3gpw s ILE 21 Ca 0.04 -2.02 -0.03 0.00 -0.99 0.00 0.00 60.65 57.65 3gpw s ILE 21 Cb -0.13 -2.88 0.11 0.00 2.95 0.00 0.00 42.46 42.50 3gpw s ILE 21 CO -0.11 -0.03 0.25 -0.89 -1.79 0.00 0.00 174.94 172.37 3gpw s THR 22 N -2.89 -0.35 0.00 8.37 2.01 -0.55 -4.00 115.64 118.23 3gpw s THR 22 Ca 0.35 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3gpw s THR 22 Cb 0.09 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.81 3gpw s THR 22 CO 0.17 -0.30 0.00 0.47 -0.69 0.00 0.00 174.62 174.27 3gpw n ASP 23 N 5.32 0.00 -1.24 3.53 10.43 -1.26 -1.28 116.55 132.05 3gpw n ASP 23 Ca -0.04 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.43 3gpw n ASP 23 Cb 0.48 0.00 0.27 0.00 1.84 0.00 0.00 41.12 43.72 3gpw n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3gpw n TYR 24 N 12.81 0.77 -4.09 1.24 0.53 -1.26 -4.96 117.16 122.20 3gpw n TYR 24 Ca 0.00 -0.40 -0.30 0.00 -1.02 0.00 0.00 57.90 56.18 3gpw n TYR 24 Cb 0.00 -0.00 -0.07 0.00 -1.03 0.00 0.00 39.34 38.24 3gpw n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3gpw s SER 25 N -1.17 5.30 -0.23 7.72 0.01 -0.40 -5.10 113.70 119.82 3gpw s SER 25 Ca 0.44 -0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.49 3gpw s SER 25 Cb 0.24 -1.35 -0.05 0.00 0.21 0.00 0.00 66.02 65.07 3gpw s SER 25 CO 0.32 0.16 0.15 -0.63 0.41 0.00 0.00 173.24 173.65 3gpw s ILE 26 N -1.40 5.37 -0.06 1.44 1.01 -1.26 -1.48 121.20 124.83 3gpw s ILE 26 Ca 0.28 0.19 -0.03 0.00 0.00 0.00 0.00 60.65 61.09 3gpw s ILE 26 Cb -0.12 -3.49 -0.27 0.00 0.01 0.00 0.00 42.46 38.59 3gpw s ILE 26 CO 0.20 0.37 0.62 0.78 0.00 0.00 0.00 174.94 176.92 3gpw h ASN 27 N 7.26 0.38 -4.23 3.58 2.35 -0.46 -3.48 115.58 120.98 3gpw h ASN 27 Ca -0.39 -0.66 -0.06 0.00 -0.55 0.00 0.00 56.30 54.64 3gpw h ASN 27 Cb 1.16 -0.12 -0.21 0.00 0.05 0.00 0.00 38.32 39.20 3gpw h ASN 27 CO 0.69 1.58 0.07 -0.55 -1.65 0.00 0.00 177.43 177.57 3gpw s SER 28 N -6.91 -0.66 0.04 5.81 0.15 -1.09 -5.00 113.70 106.04 3gpw s SER 28 Ca -0.14 1.15 0.24 0.00 0.70 0.00 0.00 55.95 57.91 3gpw s SER 28 Cb 0.07 1.14 0.36 0.00 -1.71 0.00 0.00 66.02 65.87 3gpw s SER 28 CO 0.82 -0.32 1.30 0.54 1.20 0.00 0.00 173.24 176.79 3gpw n ARG 29 N 2.29 0.14 -3.45 5.44 1.74 -1.26 -1.70 116.66 119.87 3gpw n ARG 29 Ca -0.15 0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.73 3gpw n ARG 29 Cb 0.56 -1.57 -0.11 0.00 -1.02 0.00 0.00 32.46 30.31 3gpw n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3gpw s TYR 30 N -3.09 -0.05 -0.34 -1.55 5.04 -1.13 -4.17 117.35 112.07 3gpw s TYR 30 Ca 0.08 -0.66 -0.01 0.00 -2.44 0.00 0.00 57.07 54.05 3gpw s TYR 30 Cb 0.16 -0.65 0.13 0.00 0.35 0.00 0.00 41.96 41.95 3gpw s TYR 30 CO 0.73 -0.89 0.20 -2.00 -1.34 0.00 0.00 175.55 172.25 3gpw s GLU 31 N 2.01 0.46 0.21 4.97 2.56 -0.80 -5.05 118.70 123.06 3gpw s GLU 31 Ca 0.11 -1.11 -0.28 0.00 0.00 0.00 0.00 54.97 53.69 3gpw s GLU 31 Cb -0.16 -1.23 -0.17 0.00 2.00 0.00 0.00 34.13 34.58 3gpw s GLU 31 CO -0.27 -1.16 0.61 -2.30 -0.56 0.00 0.00 175.26 171.58 3gpw n PRO 32 N 4.35 0.21 0.00 4.30 -0.02 -1.26 -4.76 135.00 137.82 3gpw n PRO 32 Ca 0.08 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3gpw n PRO 32 Cb 0.39 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 3gpw n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gpw n LYS 33 N 0.98 3.45 -4.19 -0.52 4.81 -1.26 -5.00 118.16 116.42 3gpw n LYS 33 Ca 0.17 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.27 3gpw n LYS 33 Cb 0.26 -0.31 -0.14 0.00 0.02 0.00 0.00 35.03 34.85 3gpw n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3gpw s VAL 34 N -0.56 3.09 0.15 3.15 1.01 -1.26 -4.34 120.40 121.64 3gpw s VAL 34 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.48 3gpw s VAL 34 Cb 0.00 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 3gpw s VAL 34 CO 0.00 0.47 -0.25 -0.36 0.00 0.00 0.00 175.10 174.96 3gpw s PHE 35 N 1.11 2.34 -0.34 5.22 0.08 0.09 -4.95 117.98 121.53 3gpw s PHE 35 Ca 0.01 -0.36 -0.21 0.00 0.12 0.00 0.00 56.93 56.50 3gpw s PHE 35 Cb -0.15 -1.23 -0.00 0.00 -0.57 0.00 0.00 43.02 41.07 3gpw s PHE 35 CO -0.02 0.39 0.64 0.34 -0.10 0.00 0.00 175.22 176.48 3gpw s ASP 36 N -2.26 6.45 -0.13 1.36 3.68 -1.26 -0.94 116.67 123.57 3gpw s ASP 36 Ca 0.17 0.23 0.17 0.00 2.13 0.00 0.00 52.55 55.24 3gpw s ASP 36 Cb -0.09 -2.33 0.68 0.00 -1.45 0.00 0.00 42.92 39.73 3gpw s ASP 36 CO 0.08 -0.57 1.60 0.00 0.13 0.00 0.00 175.17 176.40 3gpw n GLY 38 N 0.77 -0.85 2.50 0.00 0.00 -1.25 -4.85 105.19 101.51 3gpw n GLY 38 Ca 0.24 -1.68 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 3gpw n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gpw n ASP 39 N -1.42 -2.62 -3.36 1.61 9.92 -1.26 -1.28 116.55 118.13 3gpw n ASP 39 Ca 0.00 0.31 -0.21 0.00 -0.53 0.00 0.00 54.79 54.36 3gpw n ASP 39 Cb 0.00 -2.29 0.08 0.00 -0.64 0.00 0.00 41.12 38.26 3gpw n ASP 39 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3gpw n ASN 40 N -1.68 -5.28 -4.04 -2.24 4.05 -1.26 -4.83 115.26 99.97 3gpw n ASN 40 Ca -0.08 -0.52 -0.26 0.00 0.45 0.00 0.00 54.58 54.17 3gpw n ASN 40 Cb 0.56 -4.75 -0.17 0.00 1.23 0.00 0.00 39.78 36.66 3gpw n ASN 40 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3gpw s ILE 41 N -3.31 1.28 -0.02 -1.44 1.01 -0.40 -4.41 121.20 113.91 3gpw s ILE 41 Ca 0.44 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.59 3gpw s ILE 41 Cb -0.19 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3gpw s ILE 41 CO 0.68 0.39 -0.15 0.68 0.00 0.00 0.00 174.94 176.54 3gpw s VAL 42 N 0.80 3.02 0.03 2.92 -7.23 -0.64 -0.13 120.40 119.17 3gpw s VAL 42 Ca -0.12 -0.85 -0.05 0.00 -1.81 0.00 0.00 61.98 59.15 3gpw s VAL 42 Cb -0.16 -2.21 -0.01 0.00 0.56 0.00 0.00 36.38 34.56 3gpw s VAL 42 CO 0.02 0.51 0.08 -0.32 -0.31 0.00 0.00 175.10 175.08 3gpw s MET 43 N -0.97 0.56 -0.15 4.82 0.00 -0.11 -0.35 119.30 123.10 3gpw s MET 43 Ca 0.13 -0.74 -0.10 0.00 0.00 0.00 0.00 55.69 54.97 3gpw s MET 43 Cb -0.11 0.22 0.05 0.00 0.00 0.00 0.00 34.83 34.99 3gpw s MET 43 CO 0.02 -0.13 0.38 0.45 0.00 0.00 0.00 175.02 175.74 3gpw s SER 44 N -2.05 -0.44 -0.40 1.11 0.15 -0.35 -0.73 113.70 110.98 3gpw s SER 44 Ca -0.06 0.81 0.04 0.00 0.70 0.00 0.00 55.95 57.43 3gpw s SER 44 Cb -0.02 0.73 0.11 0.00 -1.71 0.00 0.00 66.02 65.14 3gpw s SER 44 CO -0.04 -0.17 0.13 0.00 1.20 0.00 0.00 173.24 174.36 3gpw s ALA 45 N 0.94 2.97 0.20 5.45 0.00 -1.26 -0.78 121.76 129.27 3gpw s ALA 45 Ca -0.06 -2.76 -0.10 0.00 0.00 0.00 0.00 51.96 49.04 3gpw s ALA 45 Cb -0.06 -2.02 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 3gpw s ALA 45 CO -0.07 -1.81 0.53 1.21 0.00 0.00 0.00 175.76 175.61 3gpw s ASN 46 N 0.51 6.64 0.00 0.00 3.84 -0.42 -4.35 114.94 121.16 3gpw s ASN 46 Ca 0.13 0.90 0.00 0.00 0.21 0.00 0.00 52.86 54.11 3gpw s ASN 46 Cb -0.21 -2.22 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 3gpw s ASN 46 CO -0.06 -0.03 0.00 0.61 -2.79 0.00 0.00 177.10 174.84 3gpw n GLY 47 N 0.06 1.02 3.38 1.21 0.00 -1.26 -0.01 105.19 109.60 3gpw n GLY 47 Ca -0.01 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 45.00 3gpw n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gpw s PHE 48 N 0.00 3.03 0.29 1.61 5.36 -0.36 -1.86 117.98 126.05 3gpw s PHE 48 Ca 0.00 -0.90 0.01 0.00 -0.96 0.00 0.00 56.93 55.08 3gpw s PHE 48 Cb 0.00 -3.88 0.72 0.00 -0.34 0.00 0.00 43.02 39.52 3gpw s PHE 48 CO 0.00 -1.21 1.61 0.00 -1.46 0.00 0.00 175.22 174.16 3gpw h ALA 49 N 9.12 1.20 -0.80 11.12 0.00 -1.88 0.13 119.26 138.15 3gpw h ALA 49 Ca -0.29 0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3gpw h ALA 49 Cb 1.09 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 19.27 3gpw h ALA 49 CO 1.06 -0.53 0.47 0.00 0.00 0.00 0.00 179.25 180.26 3gpw h ALA 50 N 1.86 1.10 -0.25 0.00 0.00 -1.96 0.22 119.26 120.23 3gpw h ALA 50 Ca 0.56 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.37 3gpw h ALA 50 Cb 1.16 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3gpw h ALA 50 CO -0.77 0.17 -0.28 -0.44 0.00 0.00 0.00 179.25 177.93 3gpw h ASP 51 N 0.85 0.69 -1.00 0.00 3.45 -1.18 -2.24 116.42 116.98 3gpw h ASP 51 Ca 0.36 -0.49 0.03 0.00 0.43 0.00 0.00 57.03 57.36 3gpw h ASP 51 Cb 0.22 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 38.74 3gpw h ASP 51 CO -0.19 1.03 0.66 1.23 -1.57 0.00 0.00 179.24 180.40 3gpw h GLY 52 N 0.35 1.45 0.80 2.75 0.00 -0.40 -1.13 103.07 106.89 3gpw h GLY 52 Ca 0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.82 3gpw h GLY 52 CO 0.07 0.46 -0.03 -0.55 0.00 0.00 0.00 176.54 176.49 3gpw h ASP 53 N 1.30 0.34 -0.42 0.19 3.45 -0.53 -2.24 116.42 118.52 3gpw h ASP 53 Ca 0.39 -0.35 0.03 0.00 0.43 0.00 0.00 57.03 57.54 3gpw h ASP 53 Cb -0.05 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.59 3gpw h ASP 53 CO -0.11 0.61 0.21 0.00 -1.57 0.00 0.00 179.24 178.37 3gpw h ALA 54 N 0.75 0.52 0.34 3.45 0.00 -1.09 -0.00 119.26 123.22 3gpw h ALA 54 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gpw h ALA 54 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3gpw h ALA 54 CO 0.01 -0.15 -0.19 1.25 0.00 0.00 0.00 179.25 180.17 3gpw h LEU 55 N 0.42 -0.47 -0.35 0.00 5.85 -1.17 0.25 115.31 119.84 3gpw h LEU 55 Ca 0.18 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3gpw h LEU 55 Cb 0.09 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 3gpw h LEU 55 CO -0.13 -0.31 0.09 0.58 -0.34 0.00 0.00 178.44 178.33 3gpw h VAL 56 N -0.50 0.86 -0.84 1.05 2.07 -1.23 0.22 116.25 117.88 3gpw h VAL 56 Ca -0.04 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3gpw h VAL 56 Cb 0.40 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3gpw h VAL 56 CO 0.05 0.04 0.54 0.50 0.02 0.00 0.00 177.57 178.72 3gpw h LYS 57 N 0.23 1.03 -0.35 1.57 3.64 -0.80 0.31 116.57 122.19 3gpw h LYS 57 Ca 0.16 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 3gpw h LYS 57 Cb 0.17 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 3gpw h LYS 57 CO -0.19 0.68 -0.30 -0.09 -2.27 0.00 0.00 179.45 177.28 3gpw h ARG 58 N 1.06 0.74 -0.27 1.90 2.43 0.43 -2.47 114.38 118.20 3gpw h ARG 58 Ca 0.33 -0.33 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3gpw h ARG 58 Cb -0.01 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3gpw h ARG 58 CO -0.11 0.94 -0.33 0.35 -1.51 0.00 0.00 179.97 179.31 3gpw h PHE 59 N 0.63 0.85 -0.95 2.20 3.57 0.11 -1.94 116.94 121.42 3gpw h PHE 59 Ca 0.07 -0.27 0.05 0.00 3.53 0.00 0.00 57.97 61.35 3gpw h PHE 59 Cb 0.82 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.32 3gpw h PHE 59 CO 0.04 1.03 0.61 0.87 -2.23 0.00 0.00 178.31 178.63 3gpw h LYS 60 N 0.43 1.12 0.00 1.11 1.57 -0.93 0.16 116.57 120.03 3gpw h LYS 60 Ca 0.04 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 3gpw h LYS 60 Cb 0.91 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3gpw h LYS 60 CO 0.08 0.74 -0.27 -0.97 -0.57 0.00 0.00 179.45 178.46 3gpw h ASN 61 N 1.15 0.00 -0.33 0.86 -0.73 -1.30 -1.85 115.58 113.38 3gpw h ASN 61 Ca 0.39 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.39 3gpw h ASN 61 Cb 0.07 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 3gpw h ASN 61 CO -0.14 0.27 -0.46 -1.28 -0.37 0.00 0.00 177.43 175.45 3gpw h SER 62 N 0.00 0.98 -0.65 1.15 0.87 0.06 -2.19 113.55 113.77 3gpw h SER 62 Ca -0.00 -0.50 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 3gpw h SER 62 Cb 0.62 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3gpw h SER 62 CO 0.03 1.29 0.29 0.58 -0.53 0.00 0.00 176.83 178.50 3gpw h VAL 63 N 0.70 1.23 0.07 2.23 2.07 -0.64 0.09 116.25 121.99 3gpw h VAL 63 Ca 0.04 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3gpw h VAL 63 Cb 1.06 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3gpw h VAL 63 CO 0.11 0.27 -0.18 0.50 0.02 0.00 0.00 177.57 178.29 3gpw h LYS 64 N 0.90 -0.32 0.00 1.57 3.64 -1.17 -2.14 116.57 119.06 3gpw h LYS 64 Ca 0.22 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3gpw h LYS 64 Cb 0.15 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3gpw h LYS 64 CO -0.02 -0.21 -0.40 -1.49 -2.27 0.00 0.00 179.45 175.05 3gpw h TRP 65 N -0.33 0.00 -0.55 1.91 4.06 -1.21 -2.29 115.95 117.54 3gpw h TRP 65 Ca 0.04 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.06 3gpw h TRP 65 Cb 0.36 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.46 3gpw h TRP 65 CO -0.20 0.40 0.22 -0.92 -3.56 0.00 0.00 178.44 174.39 3gpw h TYR 66 N 0.00 0.39 0.14 0.49 3.20 -0.35 0.32 116.97 121.17 3gpw h TYR 66 Ca -0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3gpw h TYR 66 Cb 0.72 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3gpw h TYR 66 CO 0.00 0.14 -0.07 0.45 -1.64 0.00 0.00 178.16 177.04 3gpw h HIS 67 N 0.42 -0.17 -0.81 -3.82 3.86 -1.04 0.52 115.15 114.10 3gpw h HIS 67 Ca 0.27 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.61 3gpw h HIS 67 Cb 0.28 0.06 -0.09 0.00 1.06 0.00 0.00 27.41 28.72 3gpw h HIS 67 CO -0.15 -0.06 0.41 0.74 0.86 0.00 0.00 177.93 179.73 3gpw h PHE 68 N -0.25 0.72 0.00 2.45 0.04 -0.74 -1.07 116.94 118.08 3gpw h PHE 68 Ca -0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3gpw h PHE 68 Cb 0.20 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3gpw h PHE 68 CO -0.05 0.18 -0.66 -0.25 -0.60 0.00 0.00 178.31 176.94 3gpw n ASP 69 N -4.88 0.60 -2.56 2.17 8.00 0.10 -4.41 116.55 115.58 3gpw n ASP 69 Ca 0.15 -0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.40 3gpw n ASP 69 Cb 0.40 0.32 0.02 0.00 -0.02 0.00 0.00 41.12 41.84 3gpw n ASP 69 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gpw n HIS 70 N -1.84 2.16 -3.77 1.24 8.25 0.16 -5.00 115.22 116.42 3gpw n HIS 70 Ca 0.04 -2.83 -0.24 0.00 -0.26 0.00 0.00 57.72 54.42 3gpw n HIS 70 Cb 0.40 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3gpw n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gpw n ASN 70 N -0.31 -4.99 -1.79 0.41 4.05 -1.14 -1.20 115.26 110.30 3gpw n ASN 70 Ca 0.23 -0.94 0.00 0.00 0.45 0.00 0.00 54.58 54.32 3gpw n ASN 70 Cb 0.76 -1.91 0.00 0.00 1.23 0.00 0.00 39.78 39.86 3gpw n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3gpw n ASP 71 N -2.55 -0.54 -4.74 1.20 8.00 -0.43 -4.88 116.55 112.60 3gpw n ASP 71 Ca -0.29 0.27 -0.38 0.00 0.71 0.00 0.00 54.79 55.11 3gpw n ASP 71 Cb 0.67 -0.75 0.05 0.00 -0.02 0.00 0.00 41.12 41.07 3gpw n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3gpw s LYS 72 N -3.56 2.88 0.25 -1.24 2.20 -0.34 -4.95 119.74 114.98 3gpw s LYS 72 Ca 0.00 2.12 -0.29 0.00 -0.36 0.00 0.00 55.97 57.44 3gpw s LYS 72 Cb 0.00 -2.05 -0.09 0.00 -1.51 0.00 0.00 37.83 34.18 3gpw s LYS 72 CO 0.00 -1.36 0.93 0.21 -0.36 0.00 0.00 175.35 174.77 3gpw s LYS 73 N -3.14 4.81 -0.55 4.03 2.20 -1.26 -4.57 119.74 121.25 3gpw s LYS 73 Ca 0.77 1.45 -0.23 0.00 -0.36 0.00 0.00 55.97 57.60 3gpw s LYS 73 Cb -0.38 -3.22 0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3gpw s LYS 73 CO 0.43 0.49 0.90 -1.17 -0.36 0.00 0.00 175.35 175.64 3gpw s LEU 74 N -1.29 4.25 0.45 5.43 2.96 -1.26 -5.01 118.68 124.21 3gpw s LEU 74 Ca 0.42 -0.49 -0.24 0.00 -0.22 0.00 0.00 54.13 53.60 3gpw s LEU 74 Cb -0.25 -2.74 -0.07 0.00 0.50 0.00 0.00 46.19 43.63 3gpw s LEU 74 CO 0.31 -1.20 1.23 -0.94 -1.32 0.00 0.00 176.35 174.42 3gpw s SER 75 N 2.90 6.10 0.53 3.68 1.04 -1.26 -4.77 113.70 121.91 3gpw s SER 75 Ca 0.27 2.46 0.25 0.00 0.48 0.00 0.00 55.95 59.42 3gpw s SER 75 Cb -0.14 -2.62 1.39 0.00 0.10 0.00 0.00 66.02 64.75 3gpw s SER 75 CO 0.17 -0.98 1.99 -0.29 0.98 0.00 0.00 173.24 175.11 3gpw h ILE 76 N 1.99 0.73 -0.11 -1.02 2.10 -1.92 0.28 117.51 119.57 3gpw h ILE 76 Ca -0.50 -0.01 -0.14 0.00 1.08 0.00 0.00 64.86 65.30 3gpw h ILE 76 Cb 1.25 0.71 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 3gpw h ILE 76 CO 0.60 0.00 -0.55 -0.55 -1.08 0.00 0.00 178.15 176.58 3gpw h ASN 77 N 0.02 0.35 0.41 2.19 -1.07 -1.91 -1.56 115.58 114.00 3gpw h ASN 77 Ca 0.27 -0.18 -0.23 0.00 0.07 0.00 0.00 56.30 56.22 3gpw h ASN 77 Cb 1.05 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.20 3gpw h ASN 77 CO -0.01 0.82 -0.99 0.28 0.07 0.00 0.00 177.43 177.60 3gpw h SER 78 N 0.24 0.49 -0.66 6.14 0.02 -0.88 -2.71 113.55 116.19 3gpw h SER 78 Ca 0.00 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 3gpw h SER 78 Cb 1.04 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.40 3gpw h SER 78 CO 0.09 1.23 0.27 0.00 -1.14 0.00 0.00 176.83 177.28 3gpw h ALA 79 N 0.73 0.85 0.01 3.77 0.00 -0.93 -1.54 119.26 122.15 3gpw h ALA 79 Ca -0.09 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3gpw h ALA 79 Cb 1.64 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3gpw h ALA 79 CO 0.17 0.46 -0.09 0.00 0.00 0.00 0.00 179.25 179.78 3gpw h ALA 80 N 1.12 -0.11 -0.49 0.00 0.00 -1.21 0.11 119.26 118.69 3gpw h ALA 80 Ca 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3gpw h ALA 80 Cb 0.19 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3gpw h ALA 80 CO -0.02 -0.59 0.18 -0.09 0.00 0.00 0.00 179.25 178.73 3gpw h ARG 81 N -0.17 0.70 0.14 0.00 9.65 -1.33 -1.40 114.38 121.98 3gpw h ARG 81 Ca 0.03 -0.11 -0.01 0.00 -1.10 0.00 0.00 59.98 58.80 3gpw h ARG 81 Cb 0.20 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.66 3gpw h ARG 81 CO -0.09 0.60 -0.07 -0.97 2.80 0.00 0.00 179.97 182.24 3gpw h ASN 82 N 0.70 -0.16 -0.73 -3.80 -0.00 -0.63 -2.64 115.58 108.32 3gpw h ASN 82 Ca 0.17 -0.08 0.03 0.00 -0.00 0.00 0.00 56.30 56.41 3gpw h ASN 82 Cb 0.17 0.04 -0.04 0.00 -0.00 0.00 0.00 38.32 38.49 3gpw h ASN 82 CO -0.01 -0.02 0.48 0.40 -0.00 0.00 0.00 177.43 178.28 3gpw h ILE 83 N -0.29 1.12 -0.80 2.57 2.04 -0.43 -1.21 117.51 120.51 3gpw h ILE 83 Ca -0.02 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.61 3gpw h ILE 83 Cb 0.23 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.39 3gpw h ILE 83 CO 0.03 0.16 0.47 -0.61 0.00 0.00 0.00 178.15 178.21 3gpw h GLN 84 N 0.90 0.81 -0.09 2.37 4.15 -0.92 0.04 115.11 122.36 3gpw h GLN 84 Ca 0.29 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.53 3gpw h GLN 84 Cb 0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3gpw h GLN 84 CO -0.08 0.53 -0.52 0.45 -1.93 0.00 0.00 178.83 177.28 3gpw h HIS 85 N 0.83 0.32 -0.42 3.99 3.86 -0.94 0.40 115.15 123.19 3gpw h HIS 85 Ca 0.37 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.42 3gpw h HIS 85 Cb 0.25 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 3gpw h HIS 85 CO -0.05 0.73 0.09 -0.07 0.86 0.00 0.00 177.93 179.48 3gpw h LEU 86 N 0.20 0.65 -0.15 2.43 3.38 -0.43 -1.55 115.31 119.85 3gpw h LEU 86 Ca 0.01 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 3gpw h LEU 86 Cb 0.99 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3gpw h LEU 86 CO 0.08 0.73 -0.19 -0.07 0.09 0.00 0.00 178.44 179.08 3gpw h LEU 87 N 0.55 0.42 -1.48 1.67 3.38 -0.91 -3.11 115.31 115.84 3gpw h LEU 87 Ca 0.13 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3gpw h LEU 87 Cb 0.34 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3gpw h LEU 87 CO 0.00 0.85 0.00 0.22 0.09 0.00 0.00 178.44 179.60 3gpw h TYR 88 N 0.01 0.00 0.00 1.13 5.03 -0.87 -1.65 116.97 120.62 3gpw h TYR 88 Ca 0.02 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 3gpw h TYR 88 Cb 0.75 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.03 3gpw h TYR 88 CO 0.09 0.00 -0.09 0.78 -1.32 0.00 0.00 178.16 177.62 3gpw h GLY 89 N 1.59 0.00 -2.84 1.82 0.00 -1.20 -2.16 103.07 100.28 3gpw h GLY 89 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 3gpw h GLY 89 CO 0.00 0.00 -0.04 0.28 0.00 0.00 0.00 176.54 176.78 3gpw n LYS 90 N -3.53 2.36 0.08 4.80 5.02 -0.62 -4.76 118.16 121.51 3gpw n LYS 90 Ca -0.02 -3.40 0.20 0.00 -2.02 0.00 0.00 58.31 53.07 3gpw n LYS 90 Cb 0.23 -2.01 0.74 0.00 -0.02 0.00 0.00 35.03 33.97 3gpw n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3gpw h ARG 91 N 1.40 0.00 -0.28 1.97 9.65 -1.44 0.30 114.38 125.97 3gpw h ARG 91 Ca 0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 3gpw h ARG 91 Cb 1.59 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.17 3gpw h ARG 91 CO 0.70 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.66 3gpw n PHE 92 N -3.78 0.89 -2.67 2.20 3.72 -1.26 -4.50 117.46 112.05 3gpw n PHE 92 Ca 0.08 -0.81 -0.04 0.00 -0.05 0.00 0.00 57.45 56.63 3gpw n PHE 92 Cb 0.62 -0.27 0.10 0.00 -0.94 0.00 0.00 39.48 38.99 3gpw n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3gpw n PHE 93 N -0.31 -0.62 -1.16 1.38 7.35 -0.48 -5.17 117.46 118.46 3gpw n PHE 93 Ca 0.20 -0.80 -0.35 0.00 -0.76 0.00 0.00 57.45 55.74 3gpw n PHE 93 Cb 0.82 1.18 0.10 0.00 0.35 0.00 0.00 39.48 41.93 3gpw n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3gpw n PRO 94 N 0.83 0.22 -2.72 -7.13 -0.02 0.92 -4.80 135.00 122.30 3gpw n PRO 94 Ca -0.03 0.13 -0.43 0.00 -2.02 0.00 0.00 63.50 61.16 3gpw n PRO 94 Cb 0.74 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3gpw n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3gpw s TYR 95 N -2.04 3.12 -1.32 6.00 1.51 -1.26 -4.92 117.35 118.45 3gpw s TYR 95 Ca 0.69 1.01 -0.16 0.00 -1.01 0.00 0.00 57.07 57.60 3gpw s TYR 95 Cb -0.31 -3.67 0.00 0.00 -0.11 0.00 0.00 41.96 37.88 3gpw s TYR 95 CO 0.55 -0.79 2.15 0.98 -1.11 0.00 0.00 175.55 177.33 3gpw n TYR 96 N 6.82 3.25 -3.95 2.71 9.36 -1.26 -4.75 117.16 129.34 3gpw n TYR 96 Ca 0.10 -2.73 -0.08 0.00 3.32 0.00 0.00 57.90 58.50 3gpw n TYR 96 Cb 0.48 -2.40 -0.08 0.00 -0.63 0.00 0.00 39.34 36.71 3gpw n TYR 96 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3gpw s VAL 97 N 3.66 0.17 -0.28 2.97 -7.23 -1.26 -1.22 120.40 117.21 3gpw s VAL 97 Ca 0.50 -1.41 -0.03 0.00 -1.81 0.00 0.00 61.98 59.23 3gpw s VAL 97 Cb 0.14 -1.39 0.03 0.00 0.56 0.00 0.00 36.38 35.72 3gpw s VAL 97 CO -0.04 -0.78 -0.01 -2.28 -0.31 0.00 0.00 175.10 171.68 3gpw s HIS 98 N -3.83 3.15 -0.01 2.82 2.46 0.99 -3.63 115.29 117.24 3gpw s HIS 98 Ca 0.05 -1.58 0.01 0.00 0.47 0.00 0.00 55.06 54.02 3gpw s HIS 98 Cb 0.06 -2.11 -0.03 0.00 -0.13 0.00 0.00 32.58 30.36 3gpw s HIS 98 CO -0.10 -0.73 -0.02 -0.08 -2.47 0.00 0.00 174.74 171.34 3gpw s THR 99 N 1.33 4.05 -0.01 0.89 -1.32 -1.21 -1.30 115.64 118.07 3gpw s THR 99 Ca -0.01 -0.59 0.01 0.00 -1.21 0.00 0.00 61.69 59.88 3gpw s THR 99 Cb -0.18 -2.78 0.00 0.00 -1.51 0.00 0.00 72.50 68.03 3gpw s THR 99 CO -0.02 0.41 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.14 3gpw s ILE 100 N -1.03 0.31 0.09 5.08 1.01 0.03 0.11 121.20 126.80 3gpw s ILE 100 Ca 0.18 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.77 3gpw s ILE 100 Cb -0.11 -0.29 -0.03 0.00 0.01 0.00 0.00 42.46 42.04 3gpw s ILE 100 CO 0.08 0.11 -0.19 0.27 0.00 0.00 0.00 174.94 175.21 3gpw s ILE 101 N 0.13 1.53 0.07 2.92 -4.36 -0.18 -1.21 121.20 120.10 3gpw s ILE 101 Ca -0.01 -1.48 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 3gpw s ILE 101 Cb -0.04 -1.42 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 3gpw s ILE 101 CO -0.00 -0.12 -0.08 0.00 0.24 0.00 0.00 174.94 174.98 3gpw s ALA 102 N -1.23 0.76 0.00 2.27 0.00 0.53 -1.29 121.76 122.80 3gpw s ALA 102 Ca 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3gpw s ALA 102 Cb -0.10 0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3gpw s ALA 102 CO 0.04 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3gpw n GLY 103 N 0.86 -0.72 3.21 0.00 0.00 -0.23 -1.62 105.19 106.70 3gpw n GLY 103 Ca -0.19 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 3gpw n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gpw s LEU 104 N 0.00 2.06 0.00 0.99 1.43 -1.26 -0.43 118.68 121.47 3gpw s LEU 104 Ca 0.00 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3gpw s LEU 104 Cb 0.00 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.24 3gpw s LEU 104 CO 0.00 0.23 0.17 -0.90 0.23 0.00 0.00 176.35 176.08 3gpw n ASP 105 N 2.47 -0.24 0.00 2.29 5.68 0.46 -4.47 116.55 122.74 3gpw n ASP 105 Ca -0.15 -0.96 0.10 0.00 -0.50 0.00 0.00 54.79 53.27 3gpw n ASP 105 Cb 0.53 -0.14 0.57 0.00 -1.14 0.00 0.00 41.12 40.95 3gpw n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3gpw n GLU 106 N -1.51 0.55 -0.13 0.11 1.02 -1.26 -2.11 120.64 117.31 3gpw n GLU 106 Ca 0.02 0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.24 3gpw n GLU 106 Cb 0.08 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.12 3gpw n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3gpw n ASP 10 N -1.07 2.64 0.00 1.62 10.43 -1.26 -4.96 116.55 123.96 3gpw n ASP 10 Ca 0.14 -1.86 0.00 0.00 2.57 0.00 0.00 54.79 55.64 3gpw n ASP 10 Cb 0.09 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 42.88 3gpw n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gpw n GLY 10 N 0.51 0.89 3.80 0.44 0.00 -0.90 -5.04 105.19 104.90 3gpw n GLY 10 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3gpw n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpw s LYS 107 N -0.17 4.24 0.43 1.61 -0.14 -1.26 -4.50 119.74 119.96 3gpw s LYS 107 Ca 0.00 1.27 -0.25 0.00 -1.36 0.00 0.00 55.97 55.62 3gpw s LYS 107 Cb 0.00 -2.38 -0.08 0.00 -1.68 0.00 0.00 37.83 33.69 3gpw s LYS 107 CO 0.00 -0.03 1.36 0.20 -0.76 0.00 0.00 175.35 176.12 3gpw s GLY 108 N -1.92 2.92 -0.10 -3.33 0.00 -0.93 -0.41 107.32 103.55 3gpw s GLY 108 Ca 0.59 1.33 -0.07 0.00 0.00 0.00 0.00 44.72 46.57 3gpw s GLY 108 CO 0.19 1.92 0.26 0.00 0.00 0.00 0.00 173.10 175.47 3gpw s ALA 109 N -1.25 -0.62 -0.02 3.20 0.00 0.43 -4.71 121.76 118.79 3gpw s ALA 109 Ca 0.60 0.91 0.05 0.00 0.00 0.00 0.00 51.96 53.51 3gpw s ALA 109 Cb -0.40 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 3gpw s ALA 109 CO 0.52 -0.17 -0.16 0.08 0.00 0.00 0.00 175.76 176.03 3gpw s VAL 110 N 0.77 1.31 -0.06 0.00 1.01 -1.24 -1.07 120.40 121.12 3gpw s VAL 110 Ca -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3gpw s VAL 110 Cb -0.06 -1.10 0.02 0.00 0.00 0.00 0.00 36.38 35.23 3gpw s VAL 110 CO -0.05 0.37 -0.10 -0.31 0.00 0.00 0.00 175.10 175.01 3gpw s TYR 111 N -0.24 1.30 -0.05 5.22 2.02 -0.41 -0.58 117.35 124.59 3gpw s TYR 111 Ca 0.03 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 3gpw s TYR 111 Cb -0.08 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.48 3gpw s TYR 111 CO 0.00 -0.26 -0.18 -1.54 -1.57 0.00 0.00 175.55 172.00 3gpw s SER 112 N 0.74 3.73 0.22 2.29 1.04 -0.98 -1.01 113.70 119.73 3gpw s SER 112 Ca -0.13 -0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.09 3gpw s SER 112 Cb -0.15 -0.81 -0.04 0.00 0.10 0.00 0.00 66.02 65.11 3gpw s SER 112 CO 0.03 0.31 -0.05 -0.36 0.98 0.00 0.00 173.24 174.15 3gpw s PHE 113 N -0.56 2.66 0.41 5.02 0.40 0.30 -2.70 117.98 123.51 3gpw s PHE 113 Ca 0.08 -0.22 -0.05 0.00 -0.60 0.00 0.00 56.93 56.14 3gpw s PHE 113 Cb -0.11 -1.24 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 3gpw s PHE 113 CO 0.01 0.57 0.70 0.34 0.70 0.00 0.00 175.22 177.54 3gpw s ASP 114 N -3.22 6.35 0.55 1.36 3.68 0.10 -3.28 116.67 122.20 3gpw s ASP 114 Ca 0.28 0.85 0.21 0.00 2.13 0.00 0.00 52.55 56.02 3gpw s ASP 114 Cb -0.08 -2.21 1.47 0.00 -1.45 0.00 0.00 42.92 40.66 3gpw s ASP 114 CO 0.17 -0.42 2.19 -0.65 0.13 0.00 0.00 175.17 176.59 3gpw h PRO 115 N 0.80 0.00 -0.47 4.34 0.11 -1.85 -2.51 132.00 132.41 3gpw h PRO 115 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 3gpw h PRO 115 Cb 1.20 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 3gpw h PRO 115 CO 0.63 0.00 0.10 1.33 -0.21 0.00 0.00 178.00 179.85 3gpw n VAL 116 N -4.28 2.62 0.00 3.15 0.24 -1.26 -4.25 118.33 114.55 3gpw n VAL 116 Ca -0.03 -2.13 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 3gpw n VAL 116 Cb 0.09 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 3gpw n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gpw n GLY 117 N -0.70 0.61 3.75 7.63 0.00 -0.95 -3.93 105.19 111.60 3gpw n GLY 117 Ca 0.34 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 3gpw n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gpw s SER 118 N -1.89 6.66 0.10 1.61 0.15 -1.26 -4.68 113.70 114.38 3gpw s SER 118 Ca 0.00 2.66 -0.07 0.00 0.70 0.00 0.00 55.95 59.24 3gpw s SER 118 Cb 0.00 -2.62 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 3gpw s SER 118 CO 0.00 -0.70 0.16 -0.72 1.20 0.00 0.00 173.24 173.18 3gpw s TYR 119 N -0.02 0.30 -0.13 3.44 -0.85 -1.26 0.02 117.35 118.84 3gpw s TYR 119 Ca 0.59 -0.73 -0.22 0.00 -0.52 0.00 0.00 57.07 56.19 3gpw s TYR 119 Cb -0.42 -0.14 0.05 0.00 0.38 0.00 0.00 41.96 41.84 3gpw s TYR 119 CO 0.43 -0.54 0.55 -2.00 -1.52 0.00 0.00 175.55 172.47 3gpw s GLU 120 N -3.90 0.78 0.05 -3.49 2.56 -1.10 -5.02 118.70 108.59 3gpw s GLU 120 Ca 0.08 0.44 -0.25 0.00 0.00 0.00 0.00 54.97 55.24 3gpw s GLU 120 Cb 0.05 0.37 -0.06 0.00 2.00 0.00 0.00 34.13 36.50 3gpw s GLU 120 CO -0.08 -0.17 0.76 0.50 -0.56 0.00 0.00 175.26 175.70 3gpw s ARG 121 N -0.46 4.49 0.21 4.30 3.52 -1.26 -2.32 118.95 127.43 3gpw s ARG 121 Ca -0.06 1.06 0.01 0.00 -0.13 0.00 0.00 55.73 56.61 3gpw s ARG 121 Cb -0.03 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 3gpw s ARG 121 CO 0.04 0.31 0.07 -1.21 -0.81 0.00 0.00 175.30 173.70 3gpw s GLU 122 N -0.13 1.23 -0.12 5.12 2.02 0.25 -4.99 118.70 122.07 3gpw s GLU 122 Ca 0.38 -1.64 -0.26 0.00 0.02 0.00 0.00 54.97 53.48 3gpw s GLU 122 Cb -0.21 -0.11 -0.23 0.00 0.10 0.00 0.00 34.13 33.69 3gpw s GLU 122 CO 0.23 -0.26 0.76 0.37 0.02 0.00 0.00 175.26 176.38 3gpw h GLN 123 N 2.57 -0.01 -2.67 1.61 5.75 -1.93 -3.29 115.11 117.14 3gpw h GLN 123 Ca -0.37 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.03 3gpw h GLN 123 Cb 1.23 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 29.57 3gpw h GLN 123 CO 0.60 0.83 -0.14 0.00 -2.65 0.00 0.00 178.83 177.47 3gpw s ARG 125 N -0.81 0.45 0.03 0.00 6.06 0.25 -4.98 118.95 119.94 3gpw s ARG 125 Ca -0.09 0.95 -0.03 0.00 -2.50 0.00 0.00 55.73 54.06 3gpw s ARG 125 Cb -0.03 0.11 -0.04 0.00 0.06 0.00 0.00 34.95 35.04 3gpw s ARG 125 CO 0.04 -0.18 0.23 0.00 -2.50 0.00 0.00 175.30 172.90 3gpw s ALA 126 N 1.73 3.93 0.00 6.12 0.00 -1.26 -0.92 121.76 131.37 3gpw s ALA 126 Ca -0.08 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 3gpw s ALA 126 Cb -0.09 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.10 3gpw s ALA 126 CO -0.14 0.74 -0.00 0.20 0.00 0.00 0.00 175.76 176.55 3gpw s GLY 127 N -2.08 0.07 0.00 0.00 0.00 0.19 -4.85 107.32 100.65 3gpw s GLY 127 Ca 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3gpw s GLY 127 CO 0.21 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.73 3gpw n GLY 128 N 2.63 -0.92 0.39 0.20 0.00 -1.26 -0.02 105.19 106.21 3gpw n GLY 128 Ca -0.16 -2.14 -0.06 0.00 0.00 0.00 0.00 46.02 43.67 3gpw n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gpw h ALA 129 N 0.00 -0.15 -0.49 4.61 0.00 -1.49 -1.96 119.26 119.78 3gpw h ALA 129 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3gpw h ALA 129 Cb 0.00 1.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3gpw h ALA 129 CO 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 179.25 178.48 3gpw n ALA 130 N -3.33 2.96 -0.30 0.00 0.00 -1.26 -4.54 120.51 114.05 3gpw n ALA 130 Ca 0.06 -1.19 0.11 0.00 0.00 0.00 0.00 53.44 52.41 3gpw n ALA 130 Cb 0.35 -1.02 0.27 0.00 0.00 0.00 0.00 19.45 19.05 3gpw n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gpw h ALA 131 N 3.76 1.37 0.00 0.00 0.00 -1.62 0.75 119.26 123.52 3gpw h ALA 131 Ca 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gpw h ALA 131 Cb 1.16 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3gpw h ALA 131 CO 0.18 -0.24 -0.19 0.66 0.00 0.00 0.00 179.25 179.66 3gpw h SER 132 N 0.48 0.00 0.99 0.00 4.64 -1.82 -1.47 113.55 116.37 3gpw h SER 132 Ca 0.52 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.65 3gpw h SER 132 Cb 0.90 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.96 3gpw h SER 132 CO -0.46 0.19 -1.06 -0.07 -0.87 0.00 0.00 176.83 174.55 3gpw h LEU 133 N 0.00 0.00 0.12 5.97 4.07 -1.21 -3.40 115.31 120.85 3gpw h LEU 133 Ca -0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 3gpw h LEU 133 Cb 0.54 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 3gpw h LEU 133 CO 0.02 0.82 -2.03 -0.38 -1.08 0.00 0.00 178.44 175.79 3gpw n ILE 134 N -3.20 1.76 -0.19 1.22 5.41 -0.75 -4.37 119.36 119.24 3gpw n ILE 134 Ca -0.04 -0.65 -0.01 0.00 1.00 0.00 0.00 62.75 63.05 3gpw n ILE 134 Cb 0.90 -1.71 0.10 0.00 -0.71 0.00 0.00 39.64 38.21 3gpw n ILE 134 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 3gpw h MET 135 N 0.07 0.37 -0.63 0.38 2.86 -1.48 -1.55 114.93 114.94 3gpw h MET 135 Ca -0.43 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.26 3gpw h MET 135 Cb 2.03 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 33.54 3gpw h MET 135 CO 0.08 0.24 0.30 -1.35 1.06 0.00 0.00 176.91 177.24 3gpw h PRO 136 N 0.38 0.52 -0.04 -0.22 0.11 -1.78 0.07 132.00 131.03 3gpw h PRO 136 Ca 0.29 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.40 3gpw h PRO 136 Cb 0.35 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 3gpw h PRO 136 CO -0.30 0.34 -0.13 0.35 -0.21 0.00 0.00 178.00 178.06 3gpw h PHE 137 N 0.53 -0.32 -0.66 0.65 3.57 -1.55 -2.27 116.94 116.89 3gpw h PHE 137 Ca 0.30 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3gpw h PHE 137 Cb 0.30 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3gpw h PHE 137 CO -0.12 -0.19 0.33 -0.07 -2.23 0.00 0.00 178.31 176.03 3gpw h LEU 138 N -0.19 0.84 -1.31 0.59 4.07 -0.69 0.16 115.31 118.78 3gpw h LEU 138 Ca 0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3gpw h LEU 138 Cb 0.27 -0.21 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 3gpw h LEU 138 CO -0.16 0.71 0.33 0.44 -1.08 0.00 0.00 178.44 178.68 3gpw h ASP 139 N 0.93 0.71 0.00 -0.43 3.32 -0.52 0.97 116.42 121.40 3gpw h ASP 139 Ca 0.23 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3gpw h ASP 139 Cb 0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3gpw h ASP 139 CO -0.03 0.56 -0.01 -1.13 -1.72 0.00 0.00 179.24 176.91 3gpw h ASN 140 N 0.81 0.01 0.62 6.45 -0.00 -0.79 -0.79 115.58 121.90 3gpw h ASN 140 Ca 0.21 -0.90 0.00 0.00 -0.00 0.00 0.00 56.30 55.61 3gpw h ASN 140 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 3gpw h ASN 140 CO -0.04 0.91 -0.47 0.00 -0.00 0.00 0.00 177.43 177.83 3gpw n GLN 141 N -4.65 0.05 -0.05 6.67 1.13 0.49 -2.40 117.38 118.62 3gpw n GLN 141 Ca -0.10 0.02 -0.07 0.00 -1.94 0.00 0.00 57.00 54.91 3gpw n GLN 141 Cb 0.44 -1.53 -0.05 0.00 0.11 0.00 0.00 30.24 29.21 3gpw n GLN 141 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3gpw n VAL 142 N -1.61 0.58 -0.26 5.09 0.31 0.33 -4.64 118.33 118.13 3gpw n VAL 142 Ca 0.05 -0.23 0.08 0.00 -0.01 0.00 0.00 64.34 64.23 3gpw n VAL 142 Cb 0.36 -0.86 0.21 0.00 -0.91 0.00 0.00 33.84 32.64 3gpw n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3gpw n ASN 143 N -2.77 3.29 -4.28 4.52 3.02 -1.17 -4.98 115.26 112.89 3gpw n ASN 143 Ca -0.18 -2.03 -0.36 0.00 -0.03 0.00 0.00 54.58 51.98 3gpw n ASN 143 Cb 0.70 -0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 3gpw n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gpw n PHE 144 N 0.84 -1.56 -2.18 3.10 3.72 -1.01 -4.90 117.46 115.48 3gpw n PHE 144 Ca 0.16 0.76 -0.40 0.00 -0.05 0.00 0.00 57.45 57.91 3gpw n PHE 144 Cb 0.50 -2.76 -0.02 0.00 -0.94 0.00 0.00 39.48 36.26 3gpw n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3gpw s LYS 14 N -7.00 4.35 0.00 -1.08 -0.14 -0.31 -2.77 119.74 112.79 3gpw s LYS 14 Ca 0.64 2.12 0.00 0.00 -1.36 0.00 0.00 55.97 57.37 3gpw s LYS 14 Cb -0.36 -3.04 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 3gpw s LYS 14 CO 0.95 -0.16 0.00 0.09 -0.76 0.00 0.00 175.35 175.48 3gpw n ASN 14 N 0.76 -3.39 -4.51 2.83 4.13 -1.26 -4.60 115.26 109.22 3gpw n ASN 14 Ca 0.00 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.91 3gpw n ASN 14 Cb 0.43 -2.11 -0.12 0.00 -1.54 0.00 0.00 39.78 36.44 3gpw n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3gpw s GLN 14 N -1.05 3.75 0.43 3.52 -0.21 -1.11 -5.09 119.66 119.90 3gpw s GLN 14 Ca 0.00 -0.44 0.06 0.00 0.02 0.00 0.00 55.36 55.00 3gpw s GLN 14 Cb 0.00 -3.26 -0.05 0.00 1.00 0.00 0.00 33.01 30.70 3gpw s GLN 14 CO 0.00 -0.01 0.08 0.71 -2.12 0.00 0.00 175.29 173.95 3gpw s TYR 14 N 1.14 2.39 -0.15 0.91 2.02 -1.26 -1.55 117.35 120.86 3gpw s TYR 14 Ca 0.04 -0.70 -0.29 0.00 -0.37 0.00 0.00 57.07 55.75 3gpw s TYR 14 Cb -0.14 -1.81 -0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3gpw s TYR 14 CO 0.03 0.29 1.36 -1.21 -1.57 0.00 0.00 175.55 174.45 3gpw s GLU 14 N -3.83 4.20 -0.07 -0.62 0.41 0.18 -4.59 118.70 114.38 3gpw s GLU 14 Ca 0.32 1.77 -0.37 0.00 -0.41 0.00 0.00 54.97 56.27 3gpw s GLU 14 Cb 0.06 -3.82 -0.15 0.00 -1.78 0.00 0.00 34.13 28.44 3gpw s GLU 14 CO 0.17 -0.76 1.63 -2.30 -0.49 0.00 0.00 175.26 173.51 3gpw n PRO 14 N 6.77 1.49 0.00 0.39 -0.02 -1.26 -0.84 135.00 141.54 3gpw n PRO 14 Ca 0.15 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3gpw n PRO 14 Cb 0.44 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3gpw n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gpw n GLY 14 N 3.65 2.50 0.12 -1.23 0.00 -1.26 -4.90 105.19 104.06 3gpw n GLY 14 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3gpw n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gpw n THR 14 N -2.00 0.02 -3.36 2.61 -2.24 -0.02 -4.89 114.28 104.41 3gpw n THR 14 Ca 0.00 -0.07 -0.18 0.00 -2.27 0.00 0.00 64.05 61.53 3gpw n THR 14 Cb 0.00 -0.20 0.07 0.00 -2.10 0.00 0.00 70.33 68.10 3gpw n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3gpw n ASN 1 N -0.63 -4.48 -1.63 3.42 4.05 -1.26 -1.54 115.26 113.20 3gpw n ASN 1 Ca 0.19 -0.48 -0.15 0.00 0.45 0.00 0.00 54.58 54.58 3gpw n ASN 1 Cb 0.15 -4.38 -0.05 0.00 1.23 0.00 0.00 39.78 36.72 3gpw n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3gpw n GLY 14 N -1.56 1.08 0.08 8.20 0.00 -1.26 -4.79 105.19 106.94 3gpw n GLY 14 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3gpw n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gpw n LYS 14 N -2.18 0.52 -0.99 1.61 4.76 -0.59 -5.00 118.16 116.30 3gpw n LYS 14 Ca -0.16 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3gpw n LYS 14 Cb 0.53 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 3gpw n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3gpw n VAL 14 N -2.44 0.00 -4.03 -0.18 0.31 -1.26 -5.06 118.33 105.67 3gpw n VAL 14 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3gpw n VAL 14 Cb 0.52 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.33 3gpw n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3gpw s LYS 14 N -0.48 3.65 0.33 5.55 2.20 -0.59 0.47 119.74 130.85 3gpw s LYS 14 Ca 0.00 -0.50 -0.28 0.00 -0.36 0.00 0.00 55.97 54.83 3gpw s LYS 14 Cb 0.00 -3.12 -0.13 0.00 -1.51 0.00 0.00 37.83 33.07 3gpw s LYS 14 CO 0.00 0.01 1.16 -0.35 -0.36 0.00 0.00 175.35 175.81 3gpw n PRO 14 N 4.28 1.77 -0.72 4.03 -0.04 -1.26 -4.89 135.00 138.17 3gpw n PRO 14 Ca -0.17 0.62 -0.06 0.00 -0.04 0.00 0.00 63.50 63.85 3gpw n PRO 14 Cb 0.52 -2.12 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 3gpw n PRO 14 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3gpw n LEU 14 N 0.92 5.41 -4.63 1.53 4.77 -1.26 -4.96 117.00 118.78 3gpw n LEU 14 Ca 0.07 -2.77 -0.46 0.00 -0.03 0.00 0.00 56.01 52.82 3gpw n LEU 14 Cb 0.35 -1.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 3gpw n LEU 14 CO 0.61 1.28 0.86 1.17 -1.33 0.00 0.00 177.39 179.97 3gpw n LYS 14 N 1.75 1.67 -3.54 3.23 4.81 -1.26 -4.92 118.16 119.89 3gpw n LYS 14 Ca 0.18 0.59 -0.36 0.00 -0.87 0.00 0.00 58.31 57.84 3gpw n LYS 14 Cb 0.65 -2.16 -0.06 0.00 0.02 0.00 0.00 35.03 33.48 3gpw n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3gpw s TYR 145 N -0.27 3.65 0.59 5.64 6.14 -1.26 -5.07 117.35 126.77 3gpw s TYR 145 Ca 0.68 0.89 -0.17 0.00 0.64 0.00 0.00 57.07 59.11 3gpw s TYR 145 Cb -0.72 -2.22 -0.04 0.00 0.42 0.00 0.00 41.96 39.40 3gpw s TYR 145 CO 0.52 0.58 1.10 -0.51 0.64 0.00 0.00 175.55 177.89 3gpw s LEU 146 N -1.48 3.59 0.59 6.97 1.43 -1.26 -5.05 118.68 123.46 3gpw s LEU 146 Ca 0.28 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 3gpw s LEU 146 Cb -0.15 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.55 3gpw s LEU 146 CO 0.15 -1.32 0.83 -0.94 0.23 0.00 0.00 176.35 175.30 3gpw s SER 147 N -2.24 5.11 0.38 2.29 1.04 -1.26 -4.59 113.70 114.44 3gpw s SER 147 Ca 0.69 0.00 0.07 0.00 0.48 0.00 0.00 55.95 57.19 3gpw s SER 147 Cb -0.21 -0.80 0.77 0.00 0.10 0.00 0.00 66.02 65.89 3gpw s SER 147 CO 0.33 -1.28 1.96 1.62 0.98 0.00 0.00 173.24 176.85 3gpw h VAL 148 N -0.08 1.15 -0.35 5.02 3.04 -1.99 -1.39 116.25 121.66 3gpw h VAL 148 Ca -0.42 -0.56 -0.12 0.00 -1.01 0.00 0.00 66.70 64.59 3gpw h VAL 148 Cb 1.30 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 3gpw h VAL 148 CO 0.52 0.20 -0.29 -0.33 -1.01 0.00 0.00 177.57 176.65 3gpw h GLU 149 N 0.41 0.73 -0.07 4.17 3.07 -1.99 -1.05 114.58 119.84 3gpw h GLU 149 Ca 0.10 -0.32 -0.19 0.00 -0.50 0.00 0.00 59.36 58.44 3gpw h GLU 149 Cb 0.21 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.10 3gpw h GLU 149 CO 0.00 0.93 -0.75 1.49 -1.40 0.00 0.00 179.01 179.28 3gpw h GLU 150 N 0.62 0.41 -0.43 2.33 4.57 -1.84 -2.88 114.58 117.37 3gpw h GLU 150 Ca 0.07 -0.34 -0.13 0.00 -1.18 0.00 0.00 59.36 57.78 3gpw h GLU 150 Cb 0.81 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 3gpw h GLU 150 CO 0.07 0.99 -0.23 0.28 -1.18 0.00 0.00 179.01 178.93 3gpw h VAL 151 N 0.27 1.27 -0.30 0.32 2.07 -1.09 -2.57 116.25 116.22 3gpw h VAL 151 Ca -0.04 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 3gpw h VAL 151 Cb 1.34 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3gpw h VAL 151 CO 0.13 0.47 0.00 0.40 0.02 0.00 0.00 177.57 178.59 3gpw h ILE 152 N 0.76 1.18 -0.16 4.57 1.08 -1.13 -0.77 117.51 123.04 3gpw h ILE 152 Ca 0.10 -0.70 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 3gpw h ILE 152 Cb 0.78 0.95 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 3gpw h ILE 152 CO 0.06 0.24 0.03 0.11 -0.69 0.00 0.00 178.15 177.91 3gpw h LYS 153 N 0.44 0.26 -0.84 2.37 1.57 -1.26 -0.43 116.57 118.69 3gpw h LYS 153 Ca 0.10 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3gpw h LYS 153 Cb 0.28 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3gpw h LYS 153 CO 0.01 0.42 0.56 -0.07 -0.57 0.00 0.00 179.45 179.79 3gpw h LEU 154 N 0.06 0.96 0.12 2.94 3.38 -1.08 0.06 115.31 121.76 3gpw h LEU 154 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3gpw h LEU 154 Cb 0.28 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3gpw h LEU 154 CO 0.00 0.69 -0.06 0.58 0.09 0.00 0.00 178.44 179.74 3gpw h VAL 155 N 1.13 0.90 -0.40 1.22 2.07 -0.92 0.13 116.25 120.39 3gpw h VAL 155 Ca 0.31 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 3gpw h VAL 155 Cb -0.12 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3gpw h VAL 155 CO -0.07 0.02 0.25 0.03 0.02 0.00 0.00 177.57 177.82 3gpw h ARG 156 N -0.20 0.54 -0.72 1.57 3.08 -0.72 -1.70 114.38 116.22 3gpw h ARG 156 Ca -0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3gpw h ARG 156 Cb 0.16 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3gpw h ARG 156 CO 0.03 0.39 0.36 -0.44 -1.07 0.00 0.00 179.97 179.24 3gpw h ASP 157 N 0.53 0.93 -0.98 7.04 3.45 -0.89 -0.91 116.42 125.58 3gpw h ASP 157 Ca 0.14 -0.12 0.12 0.00 0.43 0.00 0.00 57.03 57.60 3gpw h ASP 157 Cb -0.02 -0.24 -0.08 0.00 -0.56 0.00 0.00 39.33 38.43 3gpw h ASP 157 CO -0.03 0.79 0.62 0.28 -1.57 0.00 0.00 179.24 179.33 3gpw h SER 158 N 1.00 0.89 0.52 6.45 0.02 -0.10 -0.92 113.55 121.41 3gpw h SER 158 Ca 0.25 0.04 -0.29 0.00 -0.84 0.00 0.00 61.79 60.95 3gpw h SER 158 Cb 0.09 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3gpw h SER 158 CO -0.03 0.48 -1.40 -0.26 -1.14 0.00 0.00 176.83 174.47 3gpw h PHE 159 N 0.96 0.51 -0.21 3.45 -1.00 -0.78 -2.08 116.94 117.77 3gpw h PHE 159 Ca 0.48 -0.37 -0.09 0.00 2.81 0.00 0.00 57.97 60.81 3gpw h PHE 159 Cb 0.50 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3gpw h PHE 159 CO -0.00 1.35 -0.24 1.79 -1.61 0.00 0.00 178.31 179.59 3gpw h THR 160 N 0.08 1.25 -0.05 -1.55 1.35 -0.88 0.44 112.91 113.55 3gpw h THR 160 Ca -0.19 -1.19 -0.02 0.00 -0.55 0.00 0.00 66.41 64.45 3gpw h THR 160 Cb 2.01 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3gpw h THR 160 CO 0.19 0.37 -0.05 0.28 -0.25 0.00 0.00 175.52 176.06 3gpw h SER 161 N 0.35 0.12 -0.84 5.36 0.02 -1.23 -2.59 113.55 114.75 3gpw h SER 161 Ca 0.05 -0.49 0.04 0.00 -0.84 0.00 0.00 61.79 60.56 3gpw h SER 161 Cb 0.62 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 3gpw h SER 161 CO 0.04 0.59 0.55 0.00 -1.14 0.00 0.00 176.83 176.87 3gpw h ALA 162 N 0.54 1.50 -0.25 3.77 0.00 -1.05 -1.64 119.26 122.14 3gpw h ALA 162 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gpw h ALA 162 Cb 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gpw h ALA 162 CO 0.01 0.40 0.04 1.15 0.00 0.00 0.00 179.25 180.86 3gpw h THR 163 N 1.02 1.14 -0.23 0.00 2.02 -0.01 -0.07 112.91 116.77 3gpw h THR 163 Ca 0.34 -0.49 -0.16 0.00 0.77 0.00 0.00 66.41 66.86 3gpw h THR 163 Cb 0.07 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3gpw h THR 163 CO -0.11 0.17 -0.52 -0.33 0.37 0.00 0.00 175.52 175.11 3gpw h GLU 164 N 0.36 0.65 0.00 6.66 4.39 -0.90 -3.36 114.58 122.38 3gpw h GLU 164 Ca 0.09 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3gpw h GLU 164 Cb 0.18 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3gpw h GLU 164 CO -0.00 1.01 -1.06 0.54 -1.16 0.00 0.00 179.01 178.34 3gpw n ARG 165 N -3.98 1.28 -4.82 2.33 5.12 -1.05 -4.94 116.66 110.59 3gpw n ARG 165 Ca -0.03 -0.04 -0.32 0.00 -1.93 0.00 0.00 57.85 55.52 3gpw n ARG 165 Cb 0.59 -1.31 -0.16 0.00 -1.16 0.00 0.00 32.46 30.42 3gpw n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3gpw s HIS 166 N -2.73 2.66 -0.89 -1.55 2.46 -0.07 -5.01 115.29 110.18 3gpw s HIS 166 Ca 0.03 -1.17 0.18 0.00 0.47 0.00 0.00 55.06 54.57 3gpw s HIS 166 Cb 0.12 -1.80 0.77 0.00 -0.13 0.00 0.00 32.58 31.54 3gpw s HIS 166 CO 0.68 -0.51 1.58 0.44 -2.47 0.00 0.00 174.74 174.46 3gpw n ILE 167 N 3.87 0.84 1.11 0.89 -5.35 -1.26 -2.58 119.36 116.89 3gpw n ILE 167 Ca -0.19 0.20 0.12 0.00 -0.27 0.00 0.00 62.75 62.61 3gpw n ILE 167 Cb 0.52 -0.96 0.18 0.00 -1.74 0.00 0.00 39.64 37.63 3gpw n ILE 167 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gpw n GLN 168 N -1.68 1.84 -4.36 6.28 6.02 -1.26 -4.89 117.38 119.34 3gpw n GLN 168 Ca 0.04 -1.44 -0.34 0.00 -0.01 0.00 0.00 57.00 55.25 3gpw n GLN 168 Cb 0.21 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 29.87 3gpw n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gpw s VAL 169 N -2.15 3.72 -4.35 5.09 1.01 -1.06 -3.88 120.40 118.78 3gpw s VAL 169 Ca 0.27 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3gpw s VAL 169 Cb 0.20 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.94 3gpw s VAL 169 CO 0.38 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.58 3gpw n GLY 170 N 3.77 -0.80 5.00 4.51 0.00 -1.26 -4.48 105.19 111.92 3gpw n GLY 170 Ca -0.18 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.75 3gpw n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gpw n ASP 171 N 0.90 0.00 -3.49 1.61 8.00 -0.27 -3.88 116.55 119.43 3gpw n ASP 171 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3gpw n ASP 171 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3gpw n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3gpw s GLY 172 N 0.00 -0.53 -0.14 0.44 0.00 -1.26 -1.50 107.32 104.33 3gpw s GLY 172 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 44.72 45.76 3gpw s GLY 172 CO 0.00 0.54 -0.16 -2.27 0.00 0.00 0.00 173.10 171.21 3gpw s LEU 173 N -2.04 1.77 -0.13 0.66 2.96 0.12 -0.02 118.68 122.00 3gpw s LEU 173 Ca -0.02 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3gpw s LEU 173 Cb -0.01 -1.19 -0.00 0.00 0.50 0.00 0.00 46.19 45.49 3gpw s LEU 173 CO -0.04 -0.01 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.09 3gpw s GLU 174 N 1.23 3.18 -0.06 1.98 2.12 -0.86 -0.89 118.70 125.40 3gpw s GLU 174 Ca -0.00 -0.79 0.05 0.00 0.36 0.00 0.00 54.97 54.59 3gpw s GLU 174 Cb -0.14 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 3gpw s GLU 174 CO -0.07 0.12 -0.21 0.42 -0.54 0.00 0.00 175.26 174.98 3gpw s ILE 175 N 0.54 2.43 -0.20 -3.70 1.01 0.18 -2.06 121.20 119.40 3gpw s ILE 175 Ca -0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 3gpw s ILE 175 Cb -0.16 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 3gpw s ILE 175 CO 0.04 0.57 -0.08 -0.76 0.00 0.00 0.00 174.94 174.72 3gpw s LEU 176 N -0.30 2.75 -0.18 2.97 1.02 -0.67 -1.05 118.68 123.23 3gpw s LEU 176 Ca 0.01 -0.42 -0.06 0.00 0.02 0.00 0.00 54.13 53.67 3gpw s LEU 176 Cb -0.13 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.36 3gpw s LEU 176 CO 0.03 0.01 0.04 -0.63 0.02 0.00 0.00 176.35 175.81 3gpw s ILE 177 N 1.32 4.52 -0.17 -0.59 1.09 0.12 -1.67 121.20 125.82 3gpw s ILE 177 Ca 0.04 -0.13 -0.02 0.00 -1.10 0.00 0.00 60.65 59.44 3gpw s ILE 177 Cb -0.14 -3.03 -0.01 0.00 -1.06 0.00 0.00 42.46 38.21 3gpw s ILE 177 CO -0.04 0.46 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.50 3gpw s VAL 178 N 0.43 3.34 0.32 2.92 1.01 0.44 -0.54 120.40 128.32 3gpw s VAL 178 Ca 0.01 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3gpw s VAL 178 Cb -0.13 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3gpw s VAL 178 CO 0.01 0.48 0.23 0.42 0.00 0.00 0.00 175.10 176.24 3gpw s THR 179 N 0.85 0.10 0.03 3.92 -4.23 -0.40 -1.61 115.64 114.30 3gpw s THR 179 Ca -0.02 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.78 3gpw s THR 179 Cb -0.15 -2.48 0.29 0.00 1.34 0.00 0.00 72.50 71.50 3gpw s THR 179 CO 0.01 0.00 1.88 0.07 -0.54 0.00 0.00 174.62 176.04 3gpw h LYS 180 N 2.17 0.00 -0.11 3.99 2.10 -1.93 0.33 116.57 123.12 3gpw h LYS 180 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3gpw h LYS 180 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3gpw h LYS 180 CO 0.42 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.62 3gpw n ASP 182 N -2.52 2.01 0.00 7.07 8.00 -1.26 -5.06 116.55 124.79 3gpw n ASP 182 Ca -0.02 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.78 3gpw n ASP 182 Cb 0.07 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3gpw n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gpw n GLY 183 N 1.23 0.23 3.41 0.44 0.00 0.10 -5.02 105.19 105.58 3gpw n GLY 183 Ca 0.17 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.69 3gpw n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 184 N 0.00 3.61 0.17 1.61 1.01 -1.26 -1.27 120.40 124.27 3gpw s VAL 184 Ca 0.00 -0.44 0.11 0.00 0.00 0.00 0.00 61.98 61.64 3gpw s VAL 184 Cb 0.00 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3gpw s VAL 184 CO 0.00 0.47 -0.22 -0.60 0.00 0.00 0.00 175.10 174.75 3gpw s ARG 185 N 0.78 1.59 -0.02 2.72 3.52 0.30 -4.95 118.95 122.90 3gpw s ARG 185 Ca -0.02 -1.42 0.06 0.00 -0.13 0.00 0.00 55.73 54.22 3gpw s ARG 185 Cb -0.15 -1.93 -0.01 0.00 -1.56 0.00 0.00 34.95 31.30 3gpw s ARG 185 CO 0.02 0.42 -0.20 0.15 -0.81 0.00 0.00 175.30 174.89 3gpw s LYS 186 N -2.51 1.62 0.05 5.12 1.02 -1.26 0.13 119.74 123.91 3gpw s LYS 186 Ca 0.20 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.54 3gpw s LYS 186 Cb -0.09 -1.55 -0.02 0.00 -0.52 0.00 0.00 37.83 35.65 3gpw s LYS 186 CO 0.10 0.41 -0.16 -1.21 -0.92 0.00 0.00 175.35 173.57 3gpw s GLU 187 N -0.42 1.03 -0.03 1.68 2.02 -0.21 -4.98 118.70 117.79 3gpw s GLU 187 Ca 0.07 -0.84 0.02 0.00 0.02 0.00 0.00 54.97 54.24 3gpw s GLU 187 Cb -0.08 -1.08 0.01 0.00 0.10 0.00 0.00 34.13 33.08 3gpw s GLU 187 CO -0.00 0.27 -0.07 0.12 0.02 0.00 0.00 175.26 175.59 3gpw s PHE 188 N -0.90 0.77 0.02 1.61 5.36 -1.26 -0.64 117.98 122.94 3gpw s PHE 188 Ca 0.03 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 55.84 3gpw s PHE 188 Cb -0.08 -0.59 -0.01 0.00 -0.34 0.00 0.00 43.02 42.00 3gpw s PHE 188 CO 0.02 -0.11 -0.09 0.71 -1.46 0.00 0.00 175.22 174.29 3gpw s TYR 189 N 0.35 0.80 0.52 10.12 1.51 -0.07 -5.00 117.35 125.58 3gpw s TYR 189 Ca -0.05 -0.26 -0.17 0.00 -1.01 0.00 0.00 57.07 55.58 3gpw s TYR 189 Cb -0.09 -0.49 -0.07 0.00 -0.11 0.00 0.00 41.96 41.20 3gpw s TYR 189 CO 0.00 -0.02 1.00 -1.21 -1.11 0.00 0.00 175.55 174.22 3gpw s GLU 190 N -0.72 3.84 0.18 -0.62 2.02 -1.26 0.13 118.70 122.26 3gpw s GLU 190 Ca -0.00 1.03 0.05 0.00 0.02 0.00 0.00 54.97 56.07 3gpw s GLU 190 Cb -0.06 -2.12 -0.05 0.00 0.10 0.00 0.00 34.13 32.01 3gpw s GLU 190 CO 0.00 -0.37 -0.10 -0.51 0.02 0.00 0.00 175.26 174.31 3gpw s LEU 191 N -4.07 2.49 0.35 1.80 1.43 -0.56 -4.74 118.68 115.37 3gpw s LEU 191 Ca 0.60 -1.05 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 3gpw s LEU 191 Cb -0.11 -0.42 -0.12 0.00 0.03 0.00 0.00 46.19 45.57 3gpw s LEU 191 CO 0.31 -0.32 1.40 0.29 0.23 0.00 0.00 176.35 178.26 3gpw n LYS 192 N -0.29 2.39 -0.48 1.70 5.02 -1.26 -3.39 118.16 121.86 3gpw n LYS 192 Ca -0.09 0.84 0.09 0.00 -2.02 0.00 0.00 58.31 57.13 3gpw n LYS 192 Cb 0.61 -2.50 0.30 0.00 -0.02 0.00 0.00 35.03 33.42 3gpw n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3gpw n ARG 193 N 0.71 3.13 0.00 1.97 1.74 -1.26 -1.11 116.66 121.84 3gpw n ARG 193 Ca 0.04 -2.43 0.13 0.00 -0.77 0.00 0.00 57.85 54.82 3gpw n ARG 193 Cb 0.37 -1.73 0.40 0.00 -1.02 0.00 0.00 32.46 30.48 3gpw n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71