#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpm s LEU 2 N 0.00 1.25 -0.28 -0.89 2.96 -0.76 -1.17 118.68 119.78 3gpm s LEU 2 Ca 0.00 0.02 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 3gpm s LEU 2 Cb 0.00 -0.09 0.09 0.00 0.50 0.00 0.00 46.19 46.69 3gpm s LEU 2 CO 0.00 -0.10 0.11 -0.70 -1.32 0.00 0.00 176.35 174.34 3gpm s GLU 3 N 0.88 0.40 -0.23 1.98 2.12 0.36 -2.40 118.70 121.81 3gpm s GLU 3 Ca -0.08 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.59 3gpm s GLU 3 Cb -0.11 -1.59 0.04 0.00 0.26 0.00 0.00 34.13 32.73 3gpm s GLU 3 CO -0.02 -0.94 -0.13 0.00 -0.54 0.00 0.00 175.26 173.62 3gpm s ALA 4 N 1.92 2.52 -0.18 6.30 0.00 -0.33 -0.61 121.76 131.37 3gpm s ALA 4 Ca 0.08 -1.48 0.01 0.00 0.00 0.00 0.00 51.96 50.57 3gpm s ALA 4 Cb -0.17 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.52 3gpm s ALA 4 CO -0.28 -0.77 -0.14 -1.59 0.00 0.00 0.00 175.76 172.98 3gpm s LYS 5 N 1.23 2.36 0.20 0.00 -2.85 -0.06 0.16 119.74 120.79 3gpm s LYS 5 Ca -0.01 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 53.88 3gpm s LYS 5 Cb -0.16 -2.37 -0.08 0.00 -2.06 0.00 0.00 37.83 33.15 3gpm s LYS 5 CO -0.08 -0.32 1.13 -0.06 0.10 0.00 0.00 175.35 176.12 3gpm s PHE 6 N 1.38 3.53 0.09 1.78 0.40 -0.30 -1.30 117.98 123.56 3gpm s PHE 6 Ca 0.02 1.56 -0.19 0.00 -0.60 0.00 0.00 56.93 57.72 3gpm s PHE 6 Cb -0.15 -3.33 -0.08 0.00 0.51 0.00 0.00 43.02 39.97 3gpm s PHE 6 CO -0.10 -0.80 1.56 1.49 0.70 0.00 0.00 175.22 178.07 3gpm h GLU 7 N 4.89 0.39 -4.39 0.44 4.81 -1.88 -3.20 114.58 115.64 3gpm h GLU 7 Ca -0.45 -0.10 -0.71 0.00 -0.13 0.00 0.00 59.36 57.96 3gpm h GLU 7 Cb 1.21 -0.05 -0.31 0.00 0.63 0.00 0.00 28.75 30.24 3gpm h GLU 7 CO 0.72 0.52 -0.46 -1.21 -0.73 0.00 0.00 179.01 177.85 3gpm s GLU 8 N -5.18 2.36 0.58 1.92 0.41 -1.26 -1.61 118.70 115.92 3gpm s GLU 8 Ca -0.14 -1.72 0.28 0.00 -0.41 0.00 0.00 54.97 52.99 3gpm s GLU 8 Cb 0.07 -3.78 1.67 0.00 -1.78 0.00 0.00 34.13 30.31 3gpm s GLU 8 CO 0.73 -1.10 2.13 0.00 -0.49 0.00 0.00 175.26 176.53 3gpm h ALA 9 N 8.31 1.78 -0.91 5.21 0.00 -1.84 -1.73 119.26 130.08 3gpm h ALA 9 Ca -0.19 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.97 3gpm h ALA 9 Cb 1.07 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 3gpm h ALA 9 CO 0.79 -0.24 0.26 0.66 0.00 0.00 0.00 179.25 180.71 3gpm h SER 10 N 0.00 0.00 0.49 0.00 4.64 -1.89 -2.85 113.55 113.95 3gpm h SER 10 Ca 0.07 0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 3gpm h SER 10 Cb 0.39 0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3gpm h SER 10 CO -0.00 -0.19 -0.32 0.25 -0.87 0.00 0.00 176.83 175.70 3gpm h LEU 11 N 0.18 -0.81 -1.13 5.97 5.85 -1.72 -2.07 115.31 121.57 3gpm h LEU 11 Ca 0.59 0.05 0.16 0.00 0.84 0.00 0.00 57.88 59.51 3gpm h LEU 11 Cb 1.24 0.24 -0.09 0.00 0.37 0.00 0.00 40.66 42.42 3gpm h LEU 11 CO -0.69 -0.48 0.61 0.15 -0.34 0.00 0.00 178.44 177.69 3gpm h PHE 12 N -0.76 0.98 0.67 1.25 3.57 -1.69 0.93 116.94 121.89 3gpm h PHE 12 Ca -0.07 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 3gpm h PHE 12 Cb 0.62 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3gpm h PHE 12 CO -0.04 0.31 -0.43 -0.22 -2.23 0.00 0.00 178.31 175.70 3gpm h LYS 13 N 0.79 -1.00 -0.86 1.11 3.64 -1.45 -0.20 116.57 118.60 3gpm h LYS 13 Ca 0.51 0.07 0.22 0.00 -1.27 0.00 0.00 60.65 60.18 3gpm h LYS 13 Cb 0.75 0.23 -0.14 0.00 -0.41 0.00 0.00 32.23 32.66 3gpm h LYS 13 CO -0.28 -0.67 0.23 0.00 -2.27 0.00 0.00 179.45 176.46 3gpm h ARG 14 N -1.04 0.22 0.18 1.90 3.08 -0.14 0.63 114.38 119.22 3gpm h ARG 14 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3gpm h ARG 14 Cb 0.84 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3gpm h ARG 14 CO 0.08 0.14 -0.09 0.82 -1.07 0.00 0.00 179.97 179.85 3gpm h ILE 15 N 0.22 0.85 0.00 2.04 2.04 -0.95 -1.17 117.51 120.55 3gpm h ILE 15 Ca 0.53 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 66.23 3gpm h ILE 15 Cb 1.05 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 3gpm h ILE 15 CO -0.63 0.04 -0.02 0.40 0.00 0.00 0.00 178.15 177.93 3gpm h ILE 16 N -0.32 0.43 0.00 -0.67 1.08 0.11 -0.80 117.51 117.34 3gpm h ILE 16 Ca -0.03 -0.09 -0.04 0.00 -0.39 0.00 0.00 64.86 64.31 3gpm h ILE 16 Cb 0.25 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 3gpm h ILE 16 CO 0.04 0.02 -0.18 0.44 -0.69 0.00 0.00 178.15 177.78 3gpm h ASP 17 N 0.00 0.00 0.00 1.72 3.32 0.14 -2.01 116.42 119.59 3gpm h ASP 17 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gpm h ASP 17 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3gpm h ASP 17 CO 0.00 0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.32 3gpm n GLY 18 N -0.23 -0.83 1.93 2.75 0.00 -0.31 -4.66 105.19 103.84 3gpm n GLY 18 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3gpm n GLY 18 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gpm n PHE 19 N -0.47 -1.37 0.00 1.61 0.99 -0.76 -4.69 117.46 112.77 3gpm n PHE 19 Ca 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 57.45 56.30 3gpm n PHE 19 Cb 0.01 -0.24 0.00 0.00 -1.00 0.00 0.00 39.48 38.26 3gpm n PHE 19 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3gpm n LYS 20 N -1.25 0.00 -1.32 -1.08 5.02 -1.26 -4.65 118.16 113.62 3gpm n LYS 20 Ca 0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.96 3gpm n LYS 20 Cb 0.31 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.40 3gpm n LYS 20 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gpm n ASP 21 N 0.00 7.61 -4.02 4.39 -0.08 -1.26 -4.94 116.55 118.24 3gpm n ASP 21 Ca 0.00 -3.73 -0.08 0.00 -1.51 0.00 0.00 54.79 49.47 3gpm n ASP 21 Cb 0.00 -0.99 -0.09 0.00 2.34 0.00 0.00 41.12 42.38 3gpm n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3gpm n VAL 23 N 0.20 4.25 -0.29 0.00 3.14 -1.25 -4.52 118.33 119.85 3gpm n VAL 23 Ca -0.15 -3.03 0.00 0.00 -2.96 0.00 0.00 64.34 58.20 3gpm n VAL 23 Cb 0.61 -2.18 0.00 0.00 -1.06 0.00 0.00 33.84 31.21 3gpm n VAL 23 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gpm n GLN 24 N 2.37 0.00 -3.62 1.45 6.02 -1.26 -4.67 117.38 117.67 3gpm n GLN 24 Ca 0.63 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 57.49 3gpm n GLN 24 Cb 0.40 -3.06 -0.07 0.00 1.02 0.00 0.00 30.24 28.54 3gpm n GLN 24 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gpm s LEU 25 N 0.00 -0.60 -0.13 1.08 1.02 -1.26 0.10 118.68 118.89 3gpm s LEU 25 Ca 0.00 1.08 -0.30 0.00 0.02 0.00 0.00 54.13 54.93 3gpm s LEU 25 Cb 0.00 2.21 0.12 0.00 0.02 0.00 0.00 46.19 48.54 3gpm s LEU 25 CO 0.00 -0.26 0.98 0.54 0.02 0.00 0.00 176.35 177.63 3gpm s VAL 26 N 0.05 0.00 -0.10 -1.59 0.11 -0.92 -4.83 120.40 113.12 3gpm s VAL 26 Ca -0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 3gpm s VAL 26 Cb -0.04 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.76 3gpm s VAL 26 CO -0.01 0.00 0.26 0.20 -3.33 0.00 0.00 175.10 172.22 3gpm s ASN 27 N -1.34 6.51 -0.48 3.54 -0.87 -1.26 -1.19 114.94 119.85 3gpm s ASN 27 Ca -0.01 0.61 0.00 0.00 -1.57 0.00 0.00 52.86 51.90 3gpm s ASN 27 Cb -0.01 -2.15 0.13 0.00 -0.02 0.00 0.00 41.25 39.20 3gpm s ASN 27 CO 0.00 0.29 0.25 -0.36 -2.57 0.00 0.00 177.10 174.72 3gpm s PHE 28 N -0.59 3.48 -0.33 2.20 0.40 0.04 -3.47 117.98 119.72 3gpm s PHE 28 Ca 0.17 -2.81 -0.29 0.00 -0.60 0.00 0.00 56.93 53.41 3gpm s PHE 28 Cb -0.14 -3.06 0.01 0.00 0.51 0.00 0.00 43.02 40.35 3gpm s PHE 28 CO 0.06 -0.87 1.12 -1.14 0.70 0.00 0.00 175.22 175.09 3gpm s GLN 29 N 0.40 4.01 -0.68 0.44 0.74 0.11 -0.30 119.66 124.39 3gpm s GLN 29 Ca 0.13 1.07 -0.10 0.00 0.05 0.00 0.00 55.36 56.52 3gpm s GLN 29 Cb -0.22 -3.78 0.18 0.00 1.10 0.00 0.00 33.01 30.29 3gpm s GLN 29 CO -0.04 -0.98 0.57 0.00 -0.55 0.00 0.00 175.29 174.29 3gpm n LYS 31 N 4.07 -0.01 0.15 0.00 4.76 0.12 -1.65 118.16 125.60 3gpm n LYS 31 Ca 0.06 -0.15 0.03 0.00 -2.87 0.00 0.00 58.31 55.38 3gpm n LYS 31 Cb 0.42 -0.09 0.18 0.00 -1.84 0.00 0.00 35.03 33.70 3gpm n LYS 31 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3gpm h GLU 32 N 0.00 0.00 -0.76 1.97 4.39 -1.93 -3.25 114.58 115.00 3gpm h GLU 32 Ca -0.03 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.26 3gpm h GLU 32 Cb 0.08 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.49 3gpm h GLU 32 CO 0.02 0.51 0.37 -0.40 -1.16 0.00 0.00 179.01 178.35 3gpm n ASP 33 N -3.45 3.65 0.00 1.42 5.68 -1.26 -4.73 116.55 117.87 3gpm n ASP 33 Ca 0.00 -3.70 0.00 0.00 -0.50 0.00 0.00 54.79 50.60 3gpm n ASP 33 Cb 0.63 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 3gpm n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gpm n GLY 34 N -1.11 0.13 3.23 6.12 0.00 -1.23 -4.20 105.19 108.13 3gpm n GLY 34 Ca 0.50 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 3gpm n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpm s ILE 35 N 0.00 1.54 0.06 -0.61 1.01 -0.65 -0.70 121.20 121.84 3gpm s ILE 35 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 60.65 59.52 3gpm s ILE 35 Cb 0.00 -1.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 3gpm s ILE 35 CO 0.00 0.16 -0.08 0.27 0.00 0.00 0.00 174.94 175.30 3gpm s ILE 36 N -0.81 0.59 0.17 2.92 -4.36 -0.17 -1.08 121.20 118.46 3gpm s ILE 36 Ca 0.06 -1.33 -0.00 0.00 -0.26 0.00 0.00 60.65 59.12 3gpm s ILE 36 Cb -0.09 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 3gpm s ILE 36 CO 0.02 -0.52 0.06 0.00 0.24 0.00 0.00 174.94 174.74 3gpm s ALA 37 N -2.03 1.13 -0.24 2.27 0.00 -1.12 0.06 121.76 121.84 3gpm s ALA 37 Ca -0.04 -1.59 -0.04 0.00 0.00 0.00 0.00 51.96 50.30 3gpm s ALA 37 Cb -0.06 0.92 0.13 0.00 0.00 0.00 0.00 23.12 24.11 3gpm s ALA 37 CO -0.01 -0.47 0.41 -1.14 0.00 0.00 0.00 175.76 174.55 3gpm s GLN 38 N -4.04 0.36 0.23 0.00 0.74 -1.23 -2.44 119.66 113.29 3gpm s GLN 38 Ca 0.28 0.71 0.12 0.00 0.05 0.00 0.00 55.36 56.52 3gpm s GLN 38 Cb 0.07 -0.18 -0.05 0.00 1.10 0.00 0.00 33.01 33.96 3gpm s GLN 38 CO 0.06 -0.53 -0.22 0.00 -0.55 0.00 0.00 175.29 174.04 3gpm s ALA 39 N 2.59 2.63 0.03 1.58 0.00 -0.85 -4.25 121.76 123.50 3gpm s ALA 39 Ca 0.09 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 50.32 3gpm s ALA 39 Cb -0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3gpm s ALA 39 CO -0.15 0.36 -0.07 0.08 0.00 0.00 0.00 175.76 175.97 3gpm s VAL 40 N -2.08 0.53 0.64 0.00 1.01 -1.26 -1.25 120.40 118.00 3gpm s VAL 40 Ca 0.25 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 61.17 3gpm s VAL 40 Cb -0.06 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.74 3gpm s VAL 40 CO 0.12 -0.25 1.28 -0.62 0.00 0.00 0.00 175.10 175.63 3gpm s ASP 41 N -1.22 4.66 0.12 3.32 -1.08 -0.15 -3.89 116.67 118.43 3gpm s ASP 41 Ca -0.07 2.58 -0.22 0.00 -0.52 0.00 0.00 52.55 54.32 3gpm s ASP 41 Cb -0.08 -2.61 -0.06 0.00 -1.46 0.00 0.00 42.92 38.70 3gpm s ASP 41 CO 0.00 -1.96 1.70 0.44 0.52 0.00 0.00 175.17 175.87 3gpm h ASP 42 N 0.55 -0.25 -3.01 -0.34 3.32 -1.92 -3.14 116.42 111.63 3gpm h ASP 42 Ca -0.51 0.05 -0.56 0.00 0.02 0.00 0.00 57.03 56.03 3gpm h ASP 42 Cb 1.33 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.97 3gpm h ASP 42 CO 0.53 -0.11 0.79 -0.94 -1.72 0.00 0.00 179.24 177.79 3gpm s SER 43 N -5.12 7.01 -1.22 6.45 1.04 -1.26 -4.96 113.70 115.64 3gpm s SER 43 Ca -0.14 1.75 -0.20 0.00 0.48 0.00 0.00 55.95 57.84 3gpm s SER 43 Cb 0.09 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 3gpm s SER 43 CO 0.67 -0.66 1.87 0.54 0.98 0.00 0.00 173.24 176.64 3gpm n ARG 44 N 5.82 2.27 0.00 4.02 1.74 -1.19 -4.32 116.66 125.00 3gpm n ARG 44 Ca 0.12 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 3gpm n ARG 44 Cb 0.46 -3.59 0.00 0.00 -1.02 0.00 0.00 32.46 28.31 3gpm n ARG 44 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3gpm n VAL 45 N 7.07 0.00 -5.00 1.55 3.14 -1.26 -4.97 118.33 118.86 3gpm n VAL 45 Ca 0.47 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.54 3gpm n VAL 45 Cb 0.46 -0.34 -0.14 0.00 -1.06 0.00 0.00 33.84 32.75 3gpm n VAL 45 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3gpm s LEU 46 N -2.52 2.33 -0.04 6.55 2.96 -1.26 -0.94 118.68 125.76 3gpm s LEU 46 Ca 0.00 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 3gpm s LEU 46 Cb 0.00 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.29 3gpm s LEU 46 CO 0.00 0.30 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.01 3gpm s LEU 47 N -0.94 1.68 -0.28 -0.68 0.20 0.13 -0.98 118.68 117.81 3gpm s LEU 47 Ca 0.12 -0.24 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 3gpm s LEU 47 Cb -0.10 -0.68 0.02 0.00 -0.43 0.00 0.00 46.19 45.00 3gpm s LEU 47 CO 0.01 0.04 0.01 -0.69 -0.29 0.00 0.00 176.35 175.44 3gpm s VAL 48 N 0.46 3.37 -0.16 1.68 1.01 -0.38 -0.63 120.40 125.75 3gpm s VAL 48 Ca -0.09 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 3gpm s VAL 48 Cb -0.12 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 3gpm s VAL 48 CO 0.02 0.10 -0.02 -0.55 0.00 0.00 0.00 175.10 174.65 3gpm s SER 49 N 1.39 4.95 0.08 3.32 0.15 0.63 -2.00 113.70 122.23 3gpm s SER 49 Ca 0.00 -0.09 0.08 0.00 0.70 0.00 0.00 55.95 56.65 3gpm s SER 49 Cb -0.17 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 3gpm s SER 49 CO -0.01 0.17 -0.17 -0.22 1.20 0.00 0.00 173.24 174.21 3gpm s LEU 50 N 0.34 2.70 -0.11 3.45 2.96 -1.02 -0.23 118.68 126.77 3gpm s LEU 50 Ca -0.03 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 3gpm s LEU 50 Cb -0.14 -1.56 0.05 0.00 0.50 0.00 0.00 46.19 45.04 3gpm s LEU 50 CO 0.02 0.22 0.22 -0.70 -1.32 0.00 0.00 176.35 174.79 3gpm s GLU 51 N -1.79 0.12 -0.13 1.98 2.12 0.56 -2.80 118.70 118.75 3gpm s GLU 51 Ca 0.17 0.62 0.02 0.00 0.36 0.00 0.00 54.97 56.13 3gpm s GLU 51 Cb -0.11 -0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.16 3gpm s GLU 51 CO 0.08 -0.26 -0.19 0.42 -0.54 0.00 0.00 175.26 174.78 3gpm s ILE 52 N 2.06 1.80 0.66 -3.70 1.01 -0.24 -0.70 121.20 122.10 3gpm s ILE 52 Ca -0.01 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 3gpm s ILE 52 Cb -0.12 -1.62 0.08 0.00 0.01 0.00 0.00 42.46 40.81 3gpm s ILE 52 CO -0.07 0.50 0.93 -0.83 0.00 0.00 0.00 174.94 175.46 3gpm s GLY 53 N 0.99 1.77 0.10 6.18 0.00 -1.15 -1.64 107.32 113.57 3gpm s GLY 53 Ca -0.05 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.05 3gpm s GLY 53 CO -0.04 -0.99 1.62 -2.08 0.00 0.00 0.00 173.10 171.61 3gpm h VAL 54 N -0.36 1.19 0.00 1.40 2.07 -1.86 -2.47 116.25 116.23 3gpm h VAL 54 Ca -0.40 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3gpm h VAL 54 Cb 1.28 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 3gpm h VAL 54 CO 0.48 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.65 3gpm n GLU 55 N -4.75 0.06 0.06 1.57 -0.58 -1.26 -1.48 120.64 114.26 3gpm n GLU 55 Ca -0.03 0.55 -0.08 0.00 -0.42 0.00 0.00 57.16 57.18 3gpm n GLU 55 Cb 0.15 -1.70 -0.12 0.00 -0.57 0.00 0.00 31.44 29.20 3gpm n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gpm h ALA 56 N 2.01 0.36 -2.54 0.62 0.00 -1.64 -3.46 119.26 114.62 3gpm h ALA 56 Ca 0.00 -0.95 -0.48 0.00 0.00 0.00 0.00 54.91 53.48 3gpm h ALA 56 Cb 0.01 -0.09 0.10 0.00 0.00 0.00 0.00 17.79 17.82 3gpm h ALA 56 CO 0.00 1.25 0.38 -0.06 0.00 0.00 0.00 179.25 180.82 3gpm s PHE 57 N -2.69 2.94 0.02 0.00 0.40 -0.55 -4.83 117.98 113.27 3gpm s PHE 57 Ca -0.00 0.89 -0.15 0.00 -0.60 0.00 0.00 56.93 57.07 3gpm s PHE 57 Cb 0.09 -3.33 -0.35 0.00 0.51 0.00 0.00 43.02 39.95 3gpm s PHE 57 CO 0.83 -1.75 0.97 0.37 0.70 0.00 0.00 175.22 176.34 3gpm h GLN 58 N -1.05 0.51 -3.00 0.44 4.15 -1.47 -3.46 115.11 111.23 3gpm h GLN 58 Ca -0.47 -0.87 -0.12 0.00 0.77 0.00 0.00 58.65 57.96 3gpm h GLN 58 Cb 1.30 0.33 -0.21 0.00 0.21 0.00 0.00 27.48 29.11 3gpm h GLN 58 CO 0.64 1.42 -0.28 -1.21 -1.93 0.00 0.00 178.83 177.47 3gpm s GLU 59 N -2.60 0.62 -0.09 1.69 2.02 -1.07 -5.01 118.70 114.26 3gpm s GLU 59 Ca -0.09 -0.06 -0.07 0.00 0.02 0.00 0.00 54.97 54.77 3gpm s GLU 59 Cb 0.04 0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.58 3gpm s GLU 59 CO 0.93 -0.16 0.22 -0.47 0.02 0.00 0.00 175.26 175.81 3gpm s TYR 60 N -1.03 -0.26 -0.18 1.61 5.04 -1.26 -0.88 117.35 120.39 3gpm s TYR 60 Ca -0.11 0.64 -0.04 0.00 -2.44 0.00 0.00 57.07 55.12 3gpm s TYR 60 Cb -0.05 0.06 0.09 0.00 0.35 0.00 0.00 41.96 42.42 3gpm s TYR 60 CO 0.04 -0.15 0.26 0.50 -1.34 0.00 0.00 175.55 174.85 3gpm s ARG 61 N 0.52 0.20 -0.15 4.97 3.52 0.22 -4.99 118.95 123.23 3gpm s ARG 61 Ca -0.03 0.45 0.01 0.00 -0.13 0.00 0.00 55.73 56.03 3gpm s ARG 61 Cb -0.05 -0.67 0.02 0.00 -1.56 0.00 0.00 34.95 32.70 3gpm s ARG 61 CO -0.03 -0.52 -0.15 0.00 -0.81 0.00 0.00 175.30 173.79 3gpm h ASP 63 N 8.00 0.47 -3.68 0.00 3.32 -1.51 -3.44 116.42 119.58 3gpm h ASP 63 Ca -0.40 -0.89 -0.24 0.00 0.02 0.00 0.00 57.03 55.53 3gpm h ASP 63 Cb 1.14 -0.15 -0.29 0.00 0.22 0.00 0.00 39.33 40.25 3gpm h ASP 63 CO 0.55 1.59 -0.69 -1.38 -1.72 0.00 0.00 179.24 177.60 3gpm s HIS 64 N -2.49 -0.03 0.30 4.55 -3.43 -1.26 -4.96 115.29 107.97 3gpm s HIS 64 Ca -0.17 0.12 -0.27 0.00 -0.80 0.00 0.00 55.06 53.93 3gpm s HIS 64 Cb 0.04 -0.04 -0.14 0.00 -1.43 0.00 0.00 32.58 31.01 3gpm s HIS 64 CO 0.81 -0.04 0.93 -2.30 -2.00 0.00 0.00 174.74 172.13 3gpm n PRO 65 N 3.33 1.15 -3.84 -0.38 -0.02 -1.26 -4.36 135.00 129.62 3gpm n PRO 65 Ca -0.16 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.61 3gpm n PRO 65 Cb 0.58 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 32.20 3gpm n PRO 65 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gpm s VAL 66 N -1.09 0.04 -0.21 -1.45 0.11 -0.66 -5.01 120.40 112.13 3gpm s VAL 66 Ca 0.60 -0.30 -0.03 0.00 -2.93 0.00 0.00 61.98 59.31 3gpm s VAL 66 Cb -0.71 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 3gpm s VAL 66 CO 0.59 -0.17 -0.06 0.28 -3.33 0.00 0.00 175.10 172.41 3gpm s THR 67 N -0.55 3.25 -0.87 5.04 -1.32 -1.26 0.15 115.64 120.08 3gpm s THR 67 Ca -0.06 -0.54 -0.07 0.00 -1.21 0.00 0.00 61.69 59.81 3gpm s THR 67 Cb -0.04 -2.46 0.22 0.00 -1.51 0.00 0.00 72.50 68.71 3gpm s THR 67 CO 0.01 0.44 0.77 -0.76 -2.21 0.00 0.00 174.62 172.88 3gpm s LEU 68 N 1.34 5.97 -0.15 9.08 1.02 0.59 -4.89 118.68 131.66 3gpm s LEU 68 Ca 0.04 -3.23 -0.29 0.00 0.02 0.00 0.00 54.13 50.66 3gpm s LEU 68 Cb -0.14 -2.04 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 3gpm s LEU 68 CO -0.03 -0.35 1.06 -0.83 0.02 0.00 0.00 176.35 176.21 3gpm s GLY 69 N 0.96 2.06 0.08 -3.19 0.00 -1.26 -0.78 107.32 105.19 3gpm s GLY 69 Ca 0.23 0.34 -0.11 0.00 0.00 0.00 0.00 44.72 45.18 3gpm s GLY 69 CO -0.08 2.08 0.26 -3.16 0.00 0.00 0.00 173.10 172.20 3gpm s MET 70 N 2.54 0.86 -0.56 2.90 0.23 -0.33 0.69 119.30 125.62 3gpm s MET 70 Ca 0.48 -0.75 -0.27 0.00 -1.03 0.00 0.00 55.69 54.11 3gpm s MET 70 Cb -0.18 0.36 0.03 0.00 -1.53 0.00 0.00 34.83 33.51 3gpm s MET 70 CO 0.14 -0.29 1.13 0.34 -2.03 0.00 0.00 175.02 174.31 3gpm s ASP 71 N -2.55 6.45 0.13 -1.18 -1.08 -1.26 -2.17 116.67 115.01 3gpm s ASP 71 Ca 0.01 0.06 -0.30 0.00 -0.52 0.00 0.00 52.55 51.80 3gpm s ASP 71 Cb 0.02 -2.53 -0.09 0.00 -1.46 0.00 0.00 42.92 38.86 3gpm s ASP 71 CO -0.08 -1.39 1.50 -0.07 0.52 0.00 0.00 175.17 175.64 3gpm h LEU 72 N 11.62 -1.80 -0.70 -1.34 3.38 0.34 0.10 115.31 126.91 3gpm h LEU 72 Ca -0.25 0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3gpm h LEU 72 Cb 1.06 0.76 -0.13 0.00 0.09 0.00 0.00 40.66 42.43 3gpm h LEU 72 CO 1.16 -0.32 -0.20 0.74 0.09 0.00 0.00 178.44 179.90 3gpm h THR 73 N -0.25 0.26 0.34 0.22 2.02 -1.92 1.69 112.91 115.27 3gpm h THR 73 Ca 0.09 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 3gpm h THR 73 Cb 0.49 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3gpm h THR 73 CO -0.64 0.00 -0.30 0.28 0.37 0.00 0.00 175.52 175.22 3gpm h SER 74 N -0.02 -0.82 -0.90 4.18 0.02 -1.66 -1.91 113.55 112.43 3gpm h SER 74 Ca 0.33 0.06 0.20 0.00 -0.84 0.00 0.00 61.79 61.54 3gpm h SER 74 Cb 0.53 0.26 -0.07 0.00 0.14 0.00 0.00 62.40 63.26 3gpm h SER 74 CO -0.73 -0.41 0.59 0.25 -1.14 0.00 0.00 176.83 175.39 3gpm h LEU 75 N -0.63 0.44 -0.36 5.07 5.85 0.81 0.68 115.31 127.17 3gpm h LEU 75 Ca -0.04 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3gpm h LEU 75 Cb 0.54 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3gpm h LEU 75 CO -0.02 0.18 -0.05 -1.28 -0.34 0.00 0.00 178.44 176.94 3gpm h SER 76 N 0.44 -0.25 0.01 1.25 0.87 0.27 -2.62 113.55 113.53 3gpm h SER 76 Ca 0.47 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 61.13 3gpm h SER 76 Cb 1.12 0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3gpm h SER 76 CO -0.19 -0.08 -0.01 0.11 -0.53 0.00 0.00 176.83 176.13 3gpm h LYS 77 N 0.05 -0.02 -0.79 2.24 1.57 -0.06 -2.09 116.57 117.46 3gpm h LYS 77 Ca 0.18 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.14 3gpm h LYS 77 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 3gpm h LYS 77 CO -0.34 0.03 0.54 0.82 -0.57 0.00 0.00 179.45 179.93 3gpm h ILE 78 N -0.06 0.71 0.00 1.86 2.04 -1.33 0.42 117.51 121.15 3gpm h ILE 78 Ca -0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3gpm h ILE 78 Cb 0.06 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3gpm h ILE 78 CO 0.00 0.05 0.00 -0.07 0.00 0.00 0.00 178.15 178.14 3gpm h LEU 79 N 0.30 0.00 -0.94 1.44 3.38 -1.00 -2.09 115.31 116.39 3gpm h LEU 79 Ca 0.40 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 3gpm h LEU 79 Cb 1.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3gpm h LEU 79 CO -0.11 0.00 -0.13 0.03 0.09 0.00 0.00 178.44 178.32 3gpm h ARG 80 N 0.00 0.63 -0.00 1.13 3.08 -0.08 -2.15 114.38 116.99 3gpm h ARG 80 Ca 0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3gpm h ARG 80 Cb 0.40 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3gpm h ARG 80 CO 0.00 0.74 0.00 0.00 -1.07 0.00 0.00 179.97 179.64 3gpm s GLY 82 N -4.10 1.08 -0.66 0.00 0.00 -0.81 -4.94 107.32 97.89 3gpm s GLY 82 Ca -0.05 0.48 -0.27 0.00 0.00 0.00 0.00 44.72 44.88 3gpm s GLY 82 CO 0.57 3.14 1.60 0.54 0.00 0.00 0.00 173.10 178.95 3gpm s ASN 83 N 4.95 5.68 0.15 1.64 4.22 -1.26 -4.91 114.94 125.42 3gpm s ASN 83 Ca 0.76 0.02 -0.31 0.00 -2.14 0.00 0.00 52.86 51.19 3gpm s ASN 83 Cb -0.26 -2.54 -0.11 0.00 1.28 0.00 0.00 41.25 39.63 3gpm s ASN 83 CO 0.31 -2.12 1.71 0.54 -2.04 0.00 0.00 177.10 175.51 3gpm s ASN 84 N 6.11 6.47 0.00 3.54 4.22 -1.26 -3.46 114.94 130.56 3gpm s ASN 84 Ca 0.53 2.73 0.00 0.00 -2.14 0.00 0.00 52.86 53.98 3gpm s ASN 84 Cb -0.11 -2.58 0.00 0.00 1.28 0.00 0.00 41.25 39.84 3gpm s ASN 84 CO 0.19 -0.94 0.00 0.35 -2.04 0.00 0.00 177.10 174.66 3gpm n THR 85 N 4.31 -0.11 -2.71 0.54 -2.24 -1.26 -4.57 114.28 108.23 3gpm n THR 85 Ca 0.16 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.87 3gpm n THR 85 Cb 0.38 -0.99 0.08 0.00 -2.10 0.00 0.00 70.33 67.70 3gpm n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gpm n ASP 86 N -0.43 -2.10 -0.10 3.42 8.00 -1.22 -4.71 116.55 119.40 3gpm n ASP 86 Ca 0.00 -2.95 0.00 0.00 0.71 0.00 0.00 54.79 52.55 3gpm n ASP 86 Cb 0.19 1.58 0.00 0.00 -0.02 0.00 0.00 41.12 42.87 3gpm n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3gpm n THR 87 N 0.86 0.00 -1.87 -3.53 -1.04 -0.63 -2.97 114.28 105.10 3gpm n THR 87 Ca 0.04 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.62 3gpm n THR 87 Cb 0.70 -0.28 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 3gpm n THR 87 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3gpm s LEU 88 N -0.21 4.37 -0.15 -4.42 2.96 -1.21 -3.76 118.68 116.27 3gpm s LEU 88 Ca 0.00 2.48 -0.02 0.00 -0.22 0.00 0.00 54.13 56.37 3gpm s LEU 88 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3gpm s LEU 88 CO 0.00 -0.95 -0.09 -0.89 -1.32 0.00 0.00 176.35 173.10 3gpm s THR 89 N 3.55 3.37 0.01 3.68 2.01 -0.17 -1.15 115.64 126.94 3gpm s THR 89 Ca 0.78 -0.54 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 3gpm s THR 89 Cb -0.39 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 3gpm s THR 89 CO 0.34 0.51 0.24 -0.76 -0.69 0.00 0.00 174.62 174.25 3gpm s LEU 90 N 0.45 4.36 -0.05 4.42 1.43 0.43 -0.65 118.68 129.08 3gpm s LEU 90 Ca -0.07 0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 53.41 3gpm s LEU 90 Cb -0.15 -2.69 0.02 0.00 0.03 0.00 0.00 46.19 43.39 3gpm s LEU 90 CO 0.04 0.24 0.21 -0.63 0.23 0.00 0.00 176.35 176.44 3gpm s ILE 91 N -1.34 0.03 0.22 -0.59 1.01 0.25 -1.19 121.20 119.60 3gpm s ILE 91 Ca 0.28 -0.27 -0.15 0.00 0.00 0.00 0.00 60.65 60.51 3gpm s ILE 91 Cb -0.13 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 41.96 3gpm s ILE 91 CO 0.18 -0.15 0.51 0.00 0.00 0.00 0.00 174.94 175.48 3gpm s ALA 92 N -0.53 -0.64 0.49 9.38 0.00 -1.01 -0.40 121.76 129.05 3gpm s ALA 92 Ca -0.06 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.39 3gpm s ALA 92 Cb -0.04 0.92 -0.00 0.00 0.00 0.00 0.00 23.12 24.00 3gpm s ALA 92 CO 0.01 -0.83 0.03 -0.25 0.00 0.00 0.00 175.76 174.72 3gpm n ASP 93 N -0.35 2.96 -0.38 0.00 8.00 -1.26 -1.83 116.55 123.68 3gpm n ASP 93 Ca -0.06 -3.24 -0.10 0.00 0.71 0.00 0.00 54.79 52.10 3gpm n ASP 93 Cb 0.62 0.51 -0.09 0.00 -0.02 0.00 0.00 41.12 42.13 3gpm n ASP 93 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3gpm n ASN 94 N -1.35 -0.96 -4.22 -2.24 3.02 -1.26 -3.36 115.26 104.88 3gpm n ASN 94 Ca -0.18 1.64 -0.34 0.00 -0.03 0.00 0.00 54.58 55.66 3gpm n ASN 94 Cb 0.64 -0.22 -0.15 0.00 -0.61 0.00 0.00 39.78 39.45 3gpm n ASN 94 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3gpm s THR 95 N -5.42 2.77 -0.21 3.41 2.01 -1.26 -4.70 115.64 112.24 3gpm s THR 95 Ca -0.11 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.09 3gpm s THR 95 Cb 0.10 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 3gpm s THR 95 CO 0.56 0.48 0.14 -2.16 -0.69 0.00 0.00 174.62 172.95 3gpm s PRO 96 N 1.38 4.17 0.00 4.92 0.04 -1.21 -4.95 135.00 139.34 3gpm s PRO 96 Ca 0.05 -0.22 0.07 0.00 0.04 0.00 0.00 61.00 60.94 3gpm s PRO 96 Cb -0.14 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 3gpm s PRO 96 CO -0.08 0.25 0.42 -0.40 0.04 0.00 0.00 177.00 177.24 3gpm n ASP 97 N 3.66 0.73 -3.60 6.66 5.75 -1.26 -4.98 116.55 123.52 3gpm n ASP 97 Ca -0.16 -0.86 -0.12 0.00 -0.01 0.00 0.00 54.79 53.64 3gpm n ASP 97 Cb 0.52 0.67 -0.06 0.00 -1.03 0.00 0.00 41.12 41.21 3gpm n ASP 97 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3gpm s SER 98 N -1.26 -0.54 -0.16 -1.12 1.04 -1.26 -1.68 113.70 108.72 3gpm s SER 98 Ca 0.04 0.84 -0.08 0.00 0.48 0.00 0.00 55.95 57.23 3gpm s SER 98 Cb 0.05 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.91 3gpm s SER 98 CO 0.20 -0.32 0.12 -0.51 0.98 0.00 0.00 173.24 173.71 3gpm s ILE 99 N -0.39 5.32 -0.12 -1.02 2.07 -0.58 -4.77 121.20 121.71 3gpm s ILE 99 Ca -0.02 0.15 -0.06 0.00 -1.41 0.00 0.00 60.65 59.31 3gpm s ILE 99 Cb -0.03 -3.37 -0.04 0.00 0.13 0.00 0.00 42.46 39.16 3gpm s ILE 99 CO 0.01 0.53 0.10 -0.63 -1.91 0.00 0.00 174.94 173.04 3gpm s ILE 100 N -0.31 5.18 -0.19 2.00 1.09 0.47 -0.85 121.20 128.58 3gpm s ILE 100 Ca 0.11 0.09 0.01 0.00 -1.10 0.00 0.00 60.65 59.75 3gpm s ILE 100 Cb -0.12 -3.26 0.04 0.00 -1.06 0.00 0.00 42.46 38.07 3gpm s ILE 100 CO 0.01 0.59 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.56 3gpm s LEU 101 N -0.75 2.24 -0.48 2.97 1.02 0.45 -0.58 118.68 123.55 3gpm s LEU 101 Ca 0.13 -0.84 -0.09 0.00 0.02 0.00 0.00 54.13 53.36 3gpm s LEU 101 Cb -0.12 -1.26 0.12 0.00 0.02 0.00 0.00 46.19 44.95 3gpm s LEU 101 CO 0.03 -0.12 0.35 -0.76 0.02 0.00 0.00 176.35 175.86 3gpm s LEU 102 N 1.38 5.70 0.69 1.79 1.43 0.18 -1.15 118.68 128.70 3gpm s LEU 102 Ca -0.00 -1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 51.04 3gpm s LEU 102 Cb -0.16 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.06 3gpm s LEU 102 CO -0.09 -0.68 1.07 -0.36 0.23 0.00 0.00 176.35 176.51 3gpm s PHE 103 N 1.32 3.26 0.33 0.29 0.40 -1.04 -1.00 117.98 121.54 3gpm s PHE 103 Ca 0.06 1.25 -0.17 0.00 -0.60 0.00 0.00 56.93 57.47 3gpm s PHE 103 Cb -0.26 -2.92 0.04 0.00 0.51 0.00 0.00 43.02 40.39 3gpm s PHE 103 CO -0.01 -1.16 0.74 -2.00 0.70 0.00 0.00 175.22 173.49 3gpm s GLU 104 N -5.17 2.01 -0.03 0.44 2.12 -1.16 -2.60 118.70 114.32 3gpm s GLU 104 Ca 0.58 -1.26 0.01 0.00 0.36 0.00 0.00 54.97 54.66 3gpm s GLU 104 Cb -0.13 0.61 0.02 0.00 0.26 0.00 0.00 34.13 34.89 3gpm s GLU 104 CO 0.54 -0.93 -0.02 -0.51 -0.54 0.00 0.00 175.26 173.80 3gpm s ASP 105 N -3.01 0.57 -0.00 -1.70 1.01 -1.24 -4.58 116.67 107.71 3gpm s ASP 105 Ca 0.14 -0.07 -0.25 0.00 0.71 0.00 0.00 52.55 53.08 3gpm s ASP 105 Cb -0.05 -0.24 -0.19 0.00 1.01 0.00 0.00 42.92 43.45 3gpm s ASP 105 CO 0.10 -0.05 1.34 0.71 0.21 0.00 0.00 175.17 177.48 3gpm h THR 106 N 5.91 1.30 0.00 -1.27 1.35 -1.96 -0.12 112.91 118.13 3gpm h THR 106 Ca -0.38 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3gpm h THR 106 Cb 1.15 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 3gpm h THR 106 CO 0.48 0.24 0.00 0.29 -0.25 0.00 0.00 175.52 176.29 3gpm n LYS 107 N -4.90 -0.66 0.02 4.72 4.76 -1.26 -4.20 118.16 116.63 3gpm n LYS 107 Ca -0.08 -0.39 -0.04 0.00 -2.87 0.00 0.00 58.31 54.92 3gpm n LYS 107 Cb 0.21 -0.89 -0.10 0.00 -1.84 0.00 0.00 35.03 32.41 3gpm n LYS 107 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 3gpm h LYS 108 N 0.00 0.00 -1.44 1.97 1.57 -2.00 -3.49 116.57 113.18 3gpm h LYS 108 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 3gpm h LYS 108 Cb 0.10 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3gpm h LYS 108 CO 0.00 0.47 -0.20 -3.47 -0.57 0.00 0.00 179.45 175.68 3gpm n ASP 109 N -3.03 -2.90 -4.36 0.86 -0.08 -0.06 -4.97 116.55 102.00 3gpm n ASP 109 Ca -0.11 -0.05 -0.44 0.00 -1.51 0.00 0.00 54.79 52.68 3gpm n ASP 109 Cb 0.93 -2.03 -0.07 0.00 2.34 0.00 0.00 41.12 42.29 3gpm n ASP 109 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3gpm s ARG 110 N -4.64 2.94 -0.20 -0.67 0.52 -1.25 -4.87 118.95 110.79 3gpm s ARG 110 Ca 0.05 -1.43 -0.10 0.00 -0.52 0.00 0.00 55.73 53.73 3gpm s ARG 110 Cb -0.02 -4.13 -0.05 0.00 0.52 0.00 0.00 34.95 31.27 3gpm s ARG 110 CO 0.06 -1.08 0.14 -1.50 0.02 0.00 0.00 175.30 172.94 3gpm s ILE 111 N 1.61 5.41 -0.03 1.52 2.07 -1.26 -3.65 121.20 126.87 3gpm s ILE 111 Ca 0.04 0.21 0.05 0.00 -1.41 0.00 0.00 60.65 59.54 3gpm s ILE 111 Cb -0.25 -3.47 -0.01 0.00 0.13 0.00 0.00 42.46 38.85 3gpm s ILE 111 CO 0.05 0.44 -0.20 0.00 -1.91 0.00 0.00 174.94 173.33 3gpm s ALA 112 N 0.31 1.70 -0.39 1.50 0.00 -1.07 -5.02 121.76 118.80 3gpm s ALA 112 Ca 0.09 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3gpm s ALA 112 Cb -0.11 -0.51 0.11 0.00 0.00 0.00 0.00 23.12 22.61 3gpm s ALA 112 CO -0.01 0.36 0.15 0.20 0.00 0.00 0.00 175.76 176.45 3gpm s GLY 113 N -0.20 2.00 -0.10 0.00 0.00 -1.26 -2.50 107.32 105.26 3gpm s GLY 113 Ca 0.01 -2.58 -0.03 0.00 0.00 0.00 0.00 44.72 42.12 3gpm s GLY 113 CO 0.01 1.00 0.02 -0.19 0.00 0.00 0.00 173.10 173.93 3gpm s TYR 114 N 0.98 3.20 0.06 1.90 1.51 -0.30 -4.94 117.35 119.76 3gpm s TYR 114 Ca 0.10 0.20 0.08 0.00 -1.01 0.00 0.00 57.07 56.44 3gpm s TYR 114 Cb -0.21 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 3gpm s TYR 114 CO -0.06 0.46 -0.19 0.45 -1.11 0.00 0.00 175.55 175.11 3gpm s SER 115 N -0.80 3.74 -0.10 2.29 0.15 -1.26 0.17 113.70 117.89 3gpm s SER 115 Ca 0.12 -0.49 0.02 0.00 0.70 0.00 0.00 55.95 56.30 3gpm s SER 115 Cb -0.12 -0.55 0.01 0.00 -1.71 0.00 0.00 66.02 63.66 3gpm s SER 115 CO 0.02 0.23 -0.15 -0.22 1.20 0.00 0.00 173.24 174.32 3gpm s LEU 116 N -1.63 1.74 -0.12 3.45 2.96 -0.03 -4.98 118.68 120.07 3gpm s LEU 116 Ca 0.15 -0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.35 3gpm s LEU 116 Cb -0.10 -1.09 -0.06 0.00 0.50 0.00 0.00 46.19 45.44 3gpm s LEU 116 CO 0.06 0.02 1.98 -0.54 -1.32 0.00 0.00 176.35 176.55 3gpm s LYS 117 N 0.93 3.69 0.22 1.98 -0.14 -1.26 -1.53 119.74 123.63 3gpm s LYS 117 Ca -0.08 2.18 -0.30 0.00 -1.36 0.00 0.00 55.97 56.41 3gpm s LYS 117 Cb -0.15 -4.21 -0.09 0.00 -1.68 0.00 0.00 37.83 31.70 3gpm s LYS 117 CO -0.01 -1.45 1.31 -0.51 -0.76 0.00 0.00 175.35 173.93 3gpm s LEU 118 N 6.03 4.42 -0.05 3.17 1.43 -0.68 -4.75 118.68 128.25 3gpm s LEU 118 Ca 0.89 2.44 -0.22 0.00 -1.03 0.00 0.00 54.13 56.21 3gpm s LEU 118 Cb -0.35 -3.61 -0.31 0.00 0.03 0.00 0.00 46.19 41.94 3gpm s LEU 118 CO 0.36 -0.53 0.90 0.24 0.23 0.00 0.00 176.35 177.55 3gpm h MET 119 N 5.12 0.29 -4.57 1.70 2.86 -0.07 -3.46 114.93 116.81 3gpm h MET 119 Ca -0.45 -0.49 0.00 0.00 -2.06 0.00 0.00 59.70 56.69 3gpm h MET 119 Cb 1.22 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.06 3gpm h MET 119 CO 0.76 1.23 -0.69 -0.25 1.06 0.00 0.00 176.91 179.02 3gpm n ASP 120 N -4.14 -6.41 -4.50 1.22 8.00 -1.16 -4.99 116.55 104.57 3gpm n ASP 120 Ca -0.14 0.99 -0.27 0.00 0.71 0.00 0.00 54.79 56.08 3gpm n ASP 120 Cb 0.81 -4.19 -0.11 0.00 -0.02 0.00 0.00 41.12 37.62 3gpm n ASP 120 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gpm s ILE 121 N -1.30 2.80 0.07 0.53 1.01 -1.26 -5.06 121.20 117.99 3gpm s ILE 121 Ca 0.02 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 58.59 3gpm s ILE 121 Cb -0.01 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 3gpm s ILE 121 CO 0.57 -0.07 1.07 -1.81 0.00 0.00 0.00 174.94 174.70 3gpm s ASP 122 N -2.64 7.28 -0.80 3.58 1.01 -1.26 -4.97 116.67 118.88 3gpm s ASP 122 Ca 0.22 1.88 -0.03 0.00 0.71 0.00 0.00 52.55 55.33 3gpm s ASP 122 Cb -0.09 -2.58 0.20 0.00 1.01 0.00 0.00 42.92 41.46 3gpm s ASP 122 CO 0.12 -0.29 0.66 0.00 0.21 0.00 0.00 175.17 175.88 3gpm s ALA 123 N 0.62 4.02 -0.73 5.23 0.00 -1.26 -5.00 121.76 124.64 3gpm s ALA 123 Ca 0.53 -3.63 -0.26 0.00 0.00 0.00 0.00 51.96 48.60 3gpm s ALA 123 Cb -0.26 -2.79 0.04 0.00 0.00 0.00 0.00 23.12 20.11 3gpm s ALA 123 CO 0.30 -2.14 1.21 0.34 0.00 0.00 0.00 175.76 175.47 3gpm s ASP 124 N 0.20 6.17 0.04 0.00 -1.08 -1.26 -5.01 116.67 115.73 3gpm s ASP 124 Ca 0.24 -0.60 -0.16 0.00 -0.52 0.00 0.00 52.55 51.51 3gpm s ASP 124 Cb -0.12 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 38.75 3gpm s ASP 124 CO -0.09 -1.74 0.48 0.12 0.52 0.00 0.00 175.17 174.45 3gpm s PHE 125 N 5.33 3.74 -0.05 -5.34 2.19 -1.26 -5.08 117.98 117.51 3gpm s PHE 125 Ca 0.32 1.09 0.04 0.00 0.33 0.00 0.00 56.93 58.71 3gpm s PHE 125 Cb -0.10 -2.36 -0.02 0.00 -1.31 0.00 0.00 43.02 39.23 3gpm s PHE 125 CO 0.13 0.60 -0.16 -0.51 1.83 0.00 0.00 175.22 177.11 3gpm s LEU 126 N -1.23 2.60 -0.57 6.12 1.43 -1.26 -5.06 118.68 120.72 3gpm s LEU 126 Ca 0.27 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.17 3gpm s LEU 126 Cb -0.17 -1.52 0.19 0.00 0.03 0.00 0.00 46.19 44.72 3gpm s LEU 126 CO 0.16 0.33 0.50 0.29 0.23 0.00 0.00 176.35 177.86 3gpm n LYS 127 N 2.43 1.33 -0.22 1.70 4.76 -1.26 -4.91 118.16 121.99 3gpm n LYS 127 Ca -0.17 -3.97 0.11 0.00 -2.87 0.00 0.00 58.31 51.41 3gpm n LYS 127 Cb 0.52 -1.96 0.25 0.00 -1.84 0.00 0.00 35.03 32.00 3gpm n LYS 127 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3gpm n ILE 128 N 1.94 0.58 -1.88 -0.18 -5.35 -1.26 -4.95 119.36 108.26 3gpm n ILE 128 Ca 0.25 -0.75 -0.42 0.00 -0.27 0.00 0.00 62.75 61.56 3gpm n ILE 128 Cb 0.42 0.77 -0.03 0.00 -1.74 0.00 0.00 39.64 39.07 3gpm n ILE 128 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3gpm s GLU 129 N -1.42 4.19 0.63 6.28 2.12 -1.26 -4.97 118.70 124.27 3gpm s GLU 129 Ca 0.40 2.39 -0.11 0.00 0.36 0.00 0.00 54.97 58.02 3gpm s GLU 129 Cb 0.22 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.09 3gpm s GLU 129 CO 0.31 -0.73 1.02 -1.21 -0.54 0.00 0.00 175.26 174.11 3gpm s GLU 130 N 2.34 3.42 -0.03 4.30 0.41 -1.26 -5.02 118.70 122.86 3gpm s GLU 130 Ca 0.74 0.63 -0.03 0.00 -0.41 0.00 0.00 54.97 55.91 3gpm s GLU 130 Cb -0.42 -2.09 -0.01 0.00 -1.78 0.00 0.00 34.13 29.82 3gpm s GLU 130 CO 0.33 -0.65 0.22 1.25 -0.49 0.00 0.00 175.26 175.92 3gpm h LEU 131 N -0.35 -0.08 -9.33 1.80 5.85 -2.03 -3.45 115.31 107.72 3gpm h LEU 131 Ca -0.44 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 57.71 3gpm h LEU 131 Cb 1.21 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 3gpm h LEU 131 CO 0.62 0.09 -0.04 -1.58 -0.34 0.00 0.00 178.44 177.19 3gpm s GLN 132 N -1.73 4.37 -0.13 1.25 0.74 -1.26 -5.06 119.66 117.84 3gpm s GLN 132 Ca -0.01 0.62 -0.01 0.00 0.05 0.00 0.00 55.36 56.01 3gpm s GLN 132 Cb 0.00 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.65 3gpm s GLN 132 CO 0.04 0.11 -0.11 0.71 -0.55 0.00 0.00 175.29 175.48 3gpm s TYR 133 N 0.74 2.85 0.28 1.67 2.02 -1.26 -4.98 117.35 118.67 3gpm s TYR 133 Ca 0.31 -0.56 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3gpm s TYR 133 Cb -0.16 -1.86 0.64 0.00 -0.40 0.00 0.00 41.96 40.19 3gpm s TYR 133 CO 0.13 -0.16 1.61 -0.44 -1.57 0.00 0.00 175.55 175.12 3gpm h ASP 134 N 6.64 -0.36 -4.32 2.29 3.32 -1.91 -3.40 116.42 118.69 3gpm h ASP 134 Ca -0.27 0.24 -0.19 0.00 0.02 0.00 0.00 57.03 56.82 3gpm h ASP 134 Cb 1.21 0.40 -0.24 0.00 0.22 0.00 0.00 39.33 40.92 3gpm h ASP 134 CO 0.57 -0.26 -0.66 -0.44 -1.72 0.00 0.00 179.24 176.72 3gpm s SER 135 N -5.09 0.07 0.01 6.45 0.01 -0.99 -0.67 113.70 113.49 3gpm s SER 135 Ca -0.13 -0.16 0.07 0.00 1.31 0.00 0.00 55.95 57.04 3gpm s SER 135 Cb 0.26 0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 3gpm s SER 135 CO 0.77 -0.16 -0.22 -0.89 0.41 0.00 0.00 173.24 173.16 3gpm s THR 136 N -0.67 2.46 0.07 1.44 2.01 -1.08 -0.73 115.64 119.14 3gpm s THR 136 Ca -0.07 -1.14 -0.16 0.00 0.31 0.00 0.00 61.69 60.63 3gpm s THR 136 Cb -0.05 -1.96 0.03 0.00 0.01 0.00 0.00 72.50 70.54 3gpm s THR 136 CO -0.00 0.46 0.37 -1.48 -0.69 0.00 0.00 174.62 173.27 3gpm s LEU 137 N -1.03 0.58 -0.13 4.42 2.34 -0.08 -2.10 118.68 122.68 3gpm s LEU 137 Ca 0.12 -0.19 -0.04 0.00 0.06 0.00 0.00 54.13 54.08 3gpm s LEU 137 Cb -0.10 1.64 0.07 0.00 -0.56 0.00 0.00 46.19 47.23 3gpm s LEU 137 CO 0.02 -0.72 0.22 -0.94 -1.06 0.00 0.00 176.35 173.86 3gpm s SER 138 N -2.34 0.74 0.45 1.48 1.04 0.11 0.27 113.70 115.46 3gpm s SER 138 Ca -0.02 0.30 0.05 0.00 0.48 0.00 0.00 55.95 56.76 3gpm s SER 138 Cb 0.01 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 3gpm s SER 138 CO -0.06 -0.26 0.07 -1.48 0.98 0.00 0.00 173.24 172.48 3gpm s LEU 139 N 2.35 2.71 -0.05 2.42 2.34 -0.93 -1.52 118.68 126.00 3gpm s LEU 139 Ca 0.03 -1.40 -0.30 0.00 0.06 0.00 0.00 54.13 52.52 3gpm s LEU 139 Cb -0.13 -0.97 -0.03 0.00 -0.56 0.00 0.00 46.19 44.50 3gpm s LEU 139 CO -0.08 -0.66 1.17 -2.84 -1.06 0.00 0.00 176.35 172.88 3gpm s PRO 140 N -3.85 4.37 0.27 1.48 0.02 -1.26 -1.15 135.00 134.89 3gpm s PRO 140 Ca 0.26 1.64 0.04 0.00 0.02 0.00 0.00 61.00 62.96 3gpm s PRO 140 Cb 0.05 -3.54 0.72 0.00 0.02 0.00 0.00 34.50 31.75 3gpm s PRO 140 CO 0.14 -0.41 1.35 -1.13 -0.33 0.00 0.00 177.00 176.62 3gpm n SER 141 N 5.05 -0.05 -0.18 2.53 3.41 0.77 -0.24 113.62 124.90 3gpm n SER 141 Ca 0.10 1.46 0.05 0.00 -0.26 0.00 0.00 58.87 60.22 3gpm n SER 141 Cb 0.47 -0.55 0.33 0.00 -0.26 0.00 0.00 64.21 64.19 3gpm n SER 141 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3gpm h SER 142 N 0.00 0.71 0.01 4.04 0.02 -1.86 0.25 113.55 116.72 3gpm h SER 142 Ca 0.55 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.49 3gpm h SER 142 Cb 1.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3gpm h SER 142 CO -0.79 0.48 -0.00 -0.08 -1.14 0.00 0.00 176.83 175.29 3gpm h GLU 143 N 0.82 -0.01 -0.85 3.45 4.81 -0.98 -3.12 114.58 118.70 3gpm h GLU 143 Ca 0.30 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.67 3gpm h GLU 143 Cb 0.14 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 3gpm h GLU 143 CO -0.09 0.77 0.43 0.35 -0.73 0.00 0.00 179.01 179.74 3gpm h PHE 144 N -0.83 0.76 -0.61 0.92 3.57 -1.26 -1.55 116.94 117.93 3gpm h PHE 144 Ca -0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.65 3gpm h PHE 144 Cb 0.79 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.22 3gpm h PHE 144 CO 0.20 0.18 0.11 1.03 -2.23 0.00 0.00 178.31 177.60 3gpm h SER 145 N 0.62 -0.05 0.66 0.41 0.87 -0.48 0.21 113.55 115.78 3gpm h SER 145 Ca 0.46 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 61.11 3gpm h SER 145 Cb 0.65 0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.80 3gpm h SER 145 CO -0.36 -0.02 -0.32 0.50 -0.53 0.00 0.00 176.83 176.10 3gpm h LYS 146 N 0.23 -0.85 -1.11 2.24 1.63 -1.26 -0.99 116.57 116.47 3gpm h LYS 146 Ca 0.33 0.06 0.35 0.00 -0.85 0.00 0.00 60.65 60.53 3gpm h LYS 146 Cb 0.50 0.19 -0.13 0.00 -0.60 0.00 0.00 32.23 32.19 3gpm h LYS 146 CO -0.44 -0.57 0.68 0.82 -3.45 0.00 0.00 179.45 176.50 3gpm h ILE 147 N -1.21 0.28 0.47 2.00 2.04 -1.11 1.05 117.51 121.03 3gpm h ILE 147 Ca -0.09 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 3gpm h ILE 147 Cb 0.68 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3gpm h ILE 147 CO 0.15 0.05 -0.23 0.58 0.00 0.00 0.00 178.15 178.70 3gpm h VAL 148 N 0.25 0.00 -0.96 1.67 2.07 -0.55 -2.67 116.25 116.06 3gpm h VAL 148 Ca 0.74 -0.49 0.14 0.00 0.82 0.00 0.00 66.70 67.91 3gpm h VAL 148 Cb 1.94 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 3gpm h VAL 148 CO -0.49 0.00 0.61 -0.09 0.02 0.00 0.00 177.57 177.62 3gpm h ARG 149 N -1.12 0.81 -0.05 1.57 2.43 0.51 0.67 114.38 119.20 3gpm h ARG 149 Ca -0.06 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3gpm h ARG 149 Cb 0.49 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3gpm h ARG 149 CO 0.11 0.54 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.61 3gpm h ASP 150 N 0.84 0.12 -0.12 -3.80 5.19 0.92 -3.14 116.42 116.43 3gpm h ASP 150 Ca 0.49 -0.50 -0.09 0.00 -0.62 0.00 0.00 57.03 56.31 3gpm h ASP 150 Cb 0.64 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 3gpm h ASP 150 CO -0.25 0.60 -0.21 -0.07 -3.12 0.00 0.00 179.24 176.18 3gpm h LEU 151 N -0.35 0.54 -1.47 1.55 3.38 -1.18 -3.00 115.31 114.79 3gpm h LEU 151 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3gpm h LEU 151 Cb 0.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gpm h LEU 151 CO 0.01 0.75 0.18 -1.28 0.09 0.00 0.00 178.44 178.19 3gpm h SER 152 N 0.48 0.00 0.41 -0.43 0.87 -0.82 -2.34 113.55 111.72 3gpm h SER 152 Ca 0.08 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 3gpm h SER 152 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3gpm h SER 152 CO 0.04 0.00 -0.20 1.56 -0.53 0.00 0.00 176.83 177.71 3gpm h GLN 153 N 0.00 -0.53 0.87 2.24 1.08 -1.55 -3.39 115.11 113.84 3gpm h GLN 153 Ca 0.00 0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 3gpm h GLN 153 Cb 0.35 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3gpm h GLN 153 CO 0.00 -0.33 -0.48 -0.07 -0.95 0.00 0.00 178.83 177.00 3gpm h LEU 154 N -1.13 -1.17-10.03 1.46 3.38 -1.60 -3.46 115.31 102.75 3gpm h LEU 154 Ca -0.06 0.05 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3gpm h LEU 154 Cb 0.44 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3gpm h LEU 154 CO 0.09 -0.77 -0.45 -0.55 0.09 0.00 0.00 178.44 176.86 3gpm s SER 155 N -4.12 5.19 0.01 -0.43 0.15 -1.12 -4.14 113.70 109.25 3gpm s SER 155 Ca -0.19 -0.56 0.23 0.00 0.70 0.00 0.00 55.95 56.12 3gpm s SER 155 Cb 0.03 -0.90 0.01 0.00 -1.71 0.00 0.00 66.02 63.45 3gpm s SER 155 CO 0.60 -0.38 1.03 0.47 1.20 0.00 0.00 173.24 176.16 3gpm n ASP 156 N -1.37 0.71 -3.84 5.45 8.00 -1.26 -4.59 116.55 119.65 3gpm n ASP 156 Ca -0.01 -0.54 -0.30 0.00 0.71 0.00 0.00 54.79 54.65 3gpm n ASP 156 Cb 0.60 0.83 -0.15 0.00 -0.02 0.00 0.00 41.12 42.38 3gpm n ASP 156 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3gpm s SER 157 N -3.36 3.91 -0.17 -2.24 0.01 -1.26 -1.36 113.70 109.23 3gpm s SER 157 Ca 0.06 -1.45 -0.15 0.00 1.31 0.00 0.00 55.95 55.73 3gpm s SER 157 Cb 0.16 -1.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 3gpm s SER 157 CO 0.81 -0.34 0.34 -0.63 0.41 0.00 0.00 173.24 173.83 3gpm s ILE 158 N 1.48 5.27 -0.21 1.44 1.01 -0.30 -3.89 121.20 126.01 3gpm s ILE 158 Ca 0.04 0.62 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 3gpm s ILE 158 Cb -0.18 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 3gpm s ILE 158 CO -0.14 0.34 0.07 0.21 0.00 0.00 0.00 174.94 175.42 3gpm s ASN 159 N 0.68 5.47 -0.19 3.58 2.47 0.23 -0.14 114.94 127.04 3gpm s ASN 159 Ca 0.18 -0.02 -0.07 0.00 0.42 0.00 0.00 52.86 53.37 3gpm s ASN 159 Cb -0.14 -1.95 -0.04 0.00 -1.45 0.00 0.00 41.25 37.67 3gpm s ASN 159 CO 0.06 0.10 0.04 -0.63 -3.72 0.00 0.00 177.10 172.95 3gpm s ILE 160 N 0.83 4.48 -0.04 -5.21 1.01 1.00 0.64 121.20 123.90 3gpm s ILE 160 Ca 0.04 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.57 3gpm s ILE 160 Cb -0.14 -3.03 0.02 0.00 0.01 0.00 0.00 42.46 39.32 3gpm s ILE 160 CO 0.02 0.43 -0.06 0.00 0.00 0.00 0.00 174.94 175.34 3gpm s MET 161 N 0.69 0.91 -0.21 2.79 0.23 0.57 -1.93 119.30 122.36 3gpm s MET 161 Ca 0.02 -0.18 -0.05 0.00 -1.03 0.00 0.00 55.69 54.45 3gpm s MET 161 Cb -0.14 -0.87 -0.02 0.00 -1.53 0.00 0.00 34.83 32.28 3gpm s MET 161 CO 0.02 -0.02 -0.01 0.42 -2.03 0.00 0.00 175.02 173.41 3gpm s ILE 162 N 0.66 3.80 0.36 3.16 1.09 -1.03 0.09 121.20 129.33 3gpm s ILE 162 Ca -0.10 -0.36 0.08 0.00 -1.10 0.00 0.00 60.65 59.18 3gpm s ILE 162 Cb -0.13 -2.73 -0.05 0.00 -1.06 0.00 0.00 42.46 38.50 3gpm s ILE 162 CO 0.01 0.42 0.10 0.42 -0.10 0.00 0.00 174.94 175.78 3gpm s THR 163 N 1.21 2.67 -0.46 2.92 -4.23 0.72 -2.42 115.64 116.05 3gpm s THR 163 Ca 0.03 -1.81 -0.44 0.00 -1.18 0.00 0.00 61.69 58.29 3gpm s THR 163 Cb -0.15 -2.91 -0.18 0.00 1.34 0.00 0.00 72.50 70.60 3gpm s THR 163 CO 0.01 -0.14 1.89 0.29 -0.54 0.00 0.00 174.62 176.13 3gpm n LYS 164 N -1.09 0.24 -4.28 3.99 5.02 -1.26 -1.07 118.16 119.71 3gpm n LYS 164 Ca -0.03 0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 55.99 3gpm n LYS 164 Cb 0.63 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3gpm n LYS 164 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gpm n GLU 165 N 5.99 -2.08 -3.43 1.97 4.71 -1.26 -4.92 120.64 121.62 3gpm n GLU 165 Ca 0.41 0.26 -0.00 0.00 -0.01 0.00 0.00 57.16 57.82 3gpm n GLU 165 Cb -0.00 -4.56 -0.04 0.00 -1.01 0.00 0.00 31.44 25.83 3gpm n GLU 165 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3gpm s THR 166 N -3.65 -0.93 -0.15 2.62 2.01 -0.24 -4.55 115.64 110.75 3gpm s THR 166 Ca 0.46 0.01 -0.05 0.00 0.31 0.00 0.00 61.69 62.43 3gpm s THR 166 Cb -0.26 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 3gpm s THR 166 CO 0.96 -0.00 0.01 -0.63 -0.69 0.00 0.00 174.62 174.27 3gpm s ILE 167 N 2.83 4.32 -0.18 1.82 1.01 -1.18 -0.20 121.20 129.61 3gpm s ILE 167 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3gpm s ILE 167 Cb -0.13 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.48 3gpm s ILE 167 CO -0.19 0.51 -0.08 -0.75 0.00 0.00 0.00 174.94 174.43 3gpm s LYS 168 N 0.05 1.77 -0.41 2.79 2.20 0.11 -2.25 119.74 123.99 3gpm s LYS 168 Ca 0.03 -0.69 -0.15 0.00 -0.36 0.00 0.00 55.97 54.79 3gpm s LYS 168 Cb -0.13 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.98 3gpm s LYS 168 CO 0.02 -0.43 0.31 -0.06 -0.36 0.00 0.00 175.35 174.83 3gpm s PHE 169 N 1.50 3.23 -0.15 4.03 0.40 0.65 -0.32 117.98 127.33 3gpm s PHE 169 Ca -0.00 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 3gpm s PHE 169 Cb -0.16 -2.62 0.02 0.00 0.51 0.00 0.00 43.02 40.78 3gpm s PHE 169 CO -0.08 -0.60 -0.16 0.08 0.70 0.00 0.00 175.22 175.16 3gpm s VAL 170 N 1.72 1.69 -0.13 -0.44 1.01 0.21 -0.38 120.40 124.08 3gpm s VAL 170 Ca 0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3gpm s VAL 170 Cb -0.19 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3gpm s VAL 170 CO 0.10 0.48 -0.06 0.00 0.00 0.00 0.00 175.10 175.62 3gpm s ALA 171 N 1.33 2.91 -0.34 5.51 0.00 -0.67 0.77 121.76 131.27 3gpm s ALA 171 Ca 0.03 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 3gpm s ALA 171 Cb -0.13 -1.41 0.14 0.00 0.00 0.00 0.00 23.12 21.71 3gpm s ALA 171 CO -0.09 0.29 0.24 0.34 0.00 0.00 0.00 175.76 176.54 3gpm s ASP 172 N 0.13 2.58 0.12 0.00 2.15 -1.25 -1.32 116.67 119.08 3gpm s ASP 172 Ca -0.03 -1.76 0.00 0.00 0.43 0.00 0.00 52.55 51.20 3gpm s ASP 172 Cb -0.14 -0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.38 3gpm s ASP 172 CO 0.03 -0.33 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 3gpm n GLY 173 N 4.43 0.72 0.02 2.66 0.00 -0.98 -4.86 105.19 107.17 3gpm n GLY 173 Ca 0.07 -1.88 0.11 0.00 0.00 0.00 0.00 46.02 44.32 3gpm n GLY 173 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gpm n ASP 174 N -0.87 0.64 0.09 1.61 5.75 -1.26 -3.88 116.55 118.64 3gpm n ASP 174 Ca 0.00 -0.32 -0.02 0.00 -0.01 0.00 0.00 54.79 54.44 3gpm n ASP 174 Cb 0.00 0.61 -0.05 0.00 -1.03 0.00 0.00 41.12 40.65 3gpm n ASP 174 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 3gpm h ILE 175 N 0.00 1.14 0.00 2.12 3.07 -1.96 -3.49 117.51 118.38 3gpm h ILE 175 Ca 0.00 -2.66 0.00 0.00 1.55 0.00 0.00 64.86 63.75 3gpm h ILE 175 Cb 0.62 2.54 0.00 0.00 -0.27 0.00 0.00 36.82 39.71 3gpm h ILE 175 CO 0.00 0.65 0.00 0.61 -1.05 0.00 0.00 178.15 178.36 3gpm n GLY 176 N 1.30 -1.38 3.51 0.16 0.00 -1.25 -5.15 105.19 102.38 3gpm n GLY 176 Ca -0.01 -1.05 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 3gpm n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gpm s SER 177 N -3.74 3.19 -0.12 1.61 1.04 -1.26 -2.32 113.70 112.09 3gpm s SER 177 Ca 0.00 -1.28 -0.30 0.00 0.48 0.00 0.00 55.95 54.85 3gpm s SER 177 Cb 0.00 -0.25 0.09 0.00 0.10 0.00 0.00 66.02 65.96 3gpm s SER 177 CO 0.00 -0.40 0.81 -0.83 0.98 0.00 0.00 173.24 173.80 3gpm s GLY 178 N -3.56 -0.45 -0.14 7.32 0.00 -0.43 -5.01 107.32 105.05 3gpm s GLY 178 Ca 0.33 1.71 -0.07 0.00 0.00 0.00 0.00 44.72 46.69 3gpm s GLY 178 CO 0.15 1.12 0.33 -1.35 0.00 0.00 0.00 173.10 173.35 3gpm s SER 179 N -0.90 -0.27 -0.22 1.64 1.04 -1.26 -1.67 113.70 112.06 3gpm s SER 179 Ca -0.06 0.72 -0.05 0.00 0.48 0.00 0.00 55.95 57.03 3gpm s SER 179 Cb -0.01 0.67 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 3gpm s SER 179 CO 0.05 -0.19 0.01 -0.69 0.98 0.00 0.00 173.24 173.40 3gpm s VAL 180 N 1.60 3.90 -0.12 5.02 1.01 0.49 -4.97 120.40 127.32 3gpm s VAL 180 Ca -0.07 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3gpm s VAL 180 Cb -0.10 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.52 3gpm s VAL 180 CO -0.11 0.40 -0.11 -0.63 0.00 0.00 0.00 175.10 174.66 3gpm s ILE 181 N 1.29 1.27 -0.01 2.22 1.01 -1.26 -0.25 121.20 125.46 3gpm s ILE 181 Ca 0.04 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.26 3gpm s ILE 181 Cb -0.15 -1.23 -0.00 0.00 0.01 0.00 0.00 42.46 41.09 3gpm s ILE 181 CO 0.01 0.41 -0.06 0.27 0.00 0.00 0.00 174.94 175.57 3gpm s ILE 182 N 1.53 0.47 0.50 2.92 -4.36 -0.96 -5.02 121.20 116.29 3gpm s ILE 182 Ca 0.03 -0.24 -0.20 0.00 -0.26 0.00 0.00 60.65 59.98 3gpm s ILE 182 Cb -0.13 -0.41 -0.07 0.00 1.25 0.00 0.00 42.46 43.10 3gpm s ILE 182 CO -0.08 0.14 1.09 -0.54 0.24 0.00 0.00 174.94 175.79 3gpm s LYS 183 N -0.04 3.63 0.00 0.37 1.02 -1.26 -3.11 119.74 120.35 3gpm s LYS 183 Ca 0.01 1.52 0.00 0.00 0.02 0.00 0.00 55.97 57.52 3gpm s LYS 183 Cb -0.03 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.16 3gpm s LYS 183 CO -0.00 -0.60 0.00 -0.35 -0.92 0.00 0.00 175.35 173.48 3gpm n PRO 184 N -1.00 0.00 -0.50 -1.68 -0.04 -1.26 -4.79 135.00 125.73 3gpm n PRO 184 Ca 0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.63 3gpm n PRO 184 Cb 0.51 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.95 3gpm n PRO 184 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3gpm n PHE 185 N 0.00 -1.25 0.00 0.54 1.16 -1.22 -3.82 117.46 112.86 3gpm n PHE 185 Ca 0.00 0.63 0.00 0.00 -1.87 0.00 0.00 57.45 56.21 3gpm n PHE 185 Cb 0.00 -1.14 0.00 0.00 -1.61 0.00 0.00 39.48 36.73 3gpm n PHE 185 CO 0.00 0.00 0.00 1.55 -1.87 0.00 0.00 176.76 176.44 3gpm n VAL 186 N -2.21 0.00 0.67 1.97 3.14 -1.26 -3.41 118.33 117.23 3gpm n VAL 186 Ca 0.00 0.00 0.11 0.00 -2.96 0.00 0.00 64.34 61.49 3gpm n VAL 186 Cb 0.23 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 33.14 3gpm n VAL 186 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3gpm n ASP 187 N 0.00 3.01 -3.51 6.55 8.00 -1.26 -4.89 116.55 124.45 3gpm n ASP 187 Ca 0.00 -1.93 -0.23 0.00 0.71 0.00 0.00 54.79 53.34 3gpm n ASP 187 Cb 0.00 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3gpm n ASP 187 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3gpm n MET 188 N 1.28 -2.47 0.00 -1.24 2.81 -1.26 -4.75 117.12 111.48 3gpm n MET 188 Ca 0.15 0.25 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 3gpm n MET 188 Cb 0.55 -4.87 0.00 0.00 -0.71 0.00 0.00 33.22 28.19 3gpm n MET 188 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3gpm n GLU 189 N -3.52 0.00 0.00 0.03 4.07 -1.26 -5.02 120.64 114.94 3gpm n GLU 189 Ca 0.03 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 3gpm n GLU 189 Cb 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 3gpm n GLU 189 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3gpm n HIS 190 N 0.00 0.00 0.00 4.31 8.25 -1.26 -4.98 115.22 121.54 3gpm n HIS 190 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3gpm n HIS 190 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3gpm n HIS 190 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3gpm n PRO 191 N 0.00 0.00 0.00 -0.41 -0.04 -1.26 -5.04 135.00 128.25 3gpm n PRO 191 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3gpm n PRO 191 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3gpm n PRO 191 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3gpm n GLU 192 N 0.00 0.00 -2.51 0.54 1.02 -1.26 -4.80 120.64 113.63 3gpm n GLU 192 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3gpm n GLU 192 Cb 0.00 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 3gpm n GLU 192 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3gpm n THR 193 N -0.66 0.00 -4.37 2.62 5.66 -1.26 -4.81 114.28 111.46 3gpm n THR 193 Ca 0.00 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.81 3gpm n THR 193 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 3gpm n THR 193 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3gpm s SER 194 N -3.27 1.66 -0.20 1.09 1.04 -1.26 -4.94 113.70 107.82 3gpm s SER 194 Ca 0.00 -1.44 -0.07 0.00 0.48 0.00 0.00 55.95 54.92 3gpm s SER 194 Cb 0.00 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 3gpm s SER 194 CO 0.00 -0.75 0.06 -0.63 0.98 0.00 0.00 173.24 172.91 3gpm s ILE 195 N -3.58 4.65 -0.27 -1.02 1.09 -1.22 -4.48 121.20 116.37 3gpm s ILE 195 Ca 0.36 -0.08 0.02 0.00 -1.10 0.00 0.00 60.65 59.85 3gpm s ILE 195 Cb 0.07 -3.11 0.07 0.00 -1.06 0.00 0.00 42.46 38.43 3gpm s ILE 195 CO 0.15 0.43 -0.04 -0.54 -0.10 0.00 0.00 174.94 174.83 3gpm s LYS 196 N 0.71 1.78 -0.15 2.79 1.02 -0.58 -3.45 119.74 121.86 3gpm s LYS 196 Ca 0.03 -1.35 0.01 0.00 0.02 0.00 0.00 55.97 54.69 3gpm s LYS 196 Cb -0.13 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 3gpm s LYS 196 CO 0.02 -0.69 -0.19 -1.17 -0.92 0.00 0.00 175.35 172.40 3gpm s LEU 197 N 1.17 2.25 -0.20 3.17 2.96 -1.26 -0.71 118.68 126.06 3gpm s LEU 197 Ca -0.02 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3gpm s LEU 197 Cb -0.19 -1.49 0.03 0.00 0.50 0.00 0.00 46.19 45.03 3gpm s LEU 197 CO -0.07 0.07 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.24 3gpm s GLU 198 N 0.91 2.78 -0.10 1.98 2.02 -0.89 -5.03 118.70 120.37 3gpm s GLU 198 Ca -0.04 -0.94 -0.01 0.00 0.02 0.00 0.00 54.97 54.00 3gpm s GLU 198 Cb -0.15 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 3gpm s GLU 198 CO -0.03 -0.30 -0.05 1.41 0.02 0.00 0.00 175.26 176.31 3gpm s MET 199 N 1.25 3.06 -0.02 1.61 -2.45 -1.26 -2.63 119.30 118.87 3gpm s MET 199 Ca 0.02 -0.52 0.04 0.00 -1.25 0.00 0.00 55.69 53.98 3gpm s MET 199 Cb -0.15 -2.72 -0.06 0.00 1.25 0.00 0.00 34.83 33.16 3gpm s MET 199 CO -0.11 0.54 0.06 -0.25 1.05 0.00 0.00 175.02 176.32 3gpm n ASP 200 N 2.60 4.10 -3.80 1.11 9.92 0.15 -5.03 116.55 125.60 3gpm n ASP 200 Ca -0.18 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 53.99 3gpm n ASP 200 Cb 0.53 0.99 -0.07 0.00 -0.64 0.00 0.00 41.12 41.93 3gpm n ASP 200 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3gpm s GLN 201 N -2.21 0.89 0.75 -1.24 -1.52 -0.95 -5.04 119.66 110.33 3gpm s GLN 201 Ca -0.02 -0.87 -0.13 0.00 -1.95 0.00 0.00 55.36 52.40 3gpm s GLN 201 Cb 0.02 0.37 0.05 0.00 -0.22 0.00 0.00 33.01 33.23 3gpm s GLN 201 CO 0.16 -0.30 1.12 -1.25 -0.25 0.00 0.00 175.29 174.77 3gpm s PRO 202 N -3.74 2.27 0.01 2.91 0.04 -1.26 -4.65 135.00 130.58 3gpm s PRO 202 Ca 0.04 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.41 3gpm s PRO 202 Cb 0.04 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 3gpm s PRO 202 CO -0.11 -1.66 0.05 0.14 0.04 0.00 0.00 177.00 175.47 3gpm s VAL 203 N -2.56 0.09 -0.39 -0.36 -7.23 -1.01 -4.96 120.40 103.98 3gpm s VAL 203 Ca 0.65 -0.77 0.10 0.00 -1.81 0.00 0.00 61.98 60.16 3gpm s VAL 203 Cb -0.20 -0.33 0.29 0.00 0.56 0.00 0.00 36.38 36.70 3gpm s VAL 203 CO 0.50 -0.42 0.61 -0.67 -0.31 0.00 0.00 175.10 174.81 3gpm n ASP 204 N 1.61 0.51 -4.91 4.85 2.03 -1.26 -2.47 116.55 116.90 3gpm n ASP 204 Ca -0.23 -2.84 -0.32 0.00 0.52 0.00 0.00 54.79 51.93 3gpm n ASP 204 Cb 0.55 -0.63 -0.04 0.00 -0.72 0.00 0.00 41.12 40.28 3gpm n ASP 204 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3gpm s LEU 205 N -1.72 4.35 -0.05 -2.67 1.02 -0.81 -4.96 118.68 113.84 3gpm s LEU 205 Ca 0.37 0.29 -0.01 0.00 0.02 0.00 0.00 54.13 54.80 3gpm s LEU 205 Cb 0.24 -2.86 0.03 0.00 0.02 0.00 0.00 46.19 43.62 3gpm s LEU 205 CO -0.10 0.20 0.01 -0.89 0.02 0.00 0.00 176.35 175.59 3gpm s THR 206 N -1.46 0.24 0.19 5.49 2.01 -1.26 -0.00 115.64 120.85 3gpm s THR 206 Ca 0.33 0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.59 3gpm s THR 206 Cb -0.13 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 3gpm s THR 206 CO 0.25 0.21 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.80 3gpm s PHE 207 N 1.63 2.21 0.05 4.92 0.40 0.80 -1.15 117.98 126.84 3gpm s PHE 207 Ca -0.01 -0.38 -0.31 0.00 -0.60 0.00 0.00 56.93 55.64 3gpm s PHE 207 Cb -0.13 -1.08 -0.07 0.00 0.51 0.00 0.00 43.02 42.25 3gpm s PHE 207 CO -0.03 0.48 1.51 0.20 0.70 0.00 0.00 175.22 178.08 3gpm s GLY 208 N -2.73 1.74 0.11 4.36 0.00 -1.26 -1.15 107.32 108.39 3gpm s GLY 208 Ca 0.20 1.06 -0.19 0.00 0.00 0.00 0.00 44.72 45.80 3gpm s GLY 208 CO 0.10 2.64 1.67 0.00 0.00 0.00 0.00 173.10 177.51 3gpm h ALA 209 N 7.85 0.34 -1.00 3.20 0.00 -1.57 -2.15 119.26 125.93 3gpm h ALA 209 Ca -0.40 -0.10 0.34 0.00 0.00 0.00 0.00 54.91 54.74 3gpm h ALA 209 Cb 1.19 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 3gpm h ALA 209 CO 0.91 -0.08 0.65 1.63 0.00 0.00 0.00 179.25 182.36 3gpm n LYS 210 N -4.79 -0.02 -0.08 0.00 5.02 -1.26 0.49 118.16 117.52 3gpm n LYS 210 Ca -0.03 0.85 -0.21 0.00 -2.02 0.00 0.00 58.31 56.91 3gpm n LYS 210 Cb 0.11 -1.71 -0.12 0.00 -0.02 0.00 0.00 35.03 33.29 3gpm n LYS 210 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 3gpm h TYR 211 N 0.00 0.09 -0.89 2.13 0.05 -1.80 -3.28 116.97 113.27 3gpm h TYR 211 Ca 0.61 -0.06 0.23 0.00 0.05 0.00 0.00 58.73 59.56 3gpm h TYR 211 Cb 2.04 -0.00 -0.13 0.00 1.01 0.00 0.00 36.73 39.65 3gpm h TYR 211 CO -0.00 1.44 0.37 -0.07 -1.05 0.00 0.00 178.16 178.84 3gpm h LEU 212 N -0.85 0.27 -0.82 3.88 3.38 0.45 0.33 115.31 121.95 3gpm h LEU 212 Ca -0.29 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3gpm h LEU 212 Cb 1.36 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.24 3gpm h LEU 212 CO -0.12 -0.04 0.25 -0.07 0.09 0.00 0.00 178.44 178.55 3gpm h LEU 213 N 0.35 1.05 -1.35 1.67 3.38 -0.99 0.11 115.31 119.52 3gpm h LEU 213 Ca 0.56 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.29 3gpm h LEU 213 Cb 1.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3gpm h LEU 213 CO -0.56 0.96 -0.31 0.44 0.09 0.00 0.00 178.44 179.06 3gpm h ASP 214 N 1.09 0.00 0.02 -0.43 3.32 -0.64 -2.48 116.42 117.29 3gpm h ASP 214 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3gpm h ASP 214 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3gpm h ASP 214 CO -0.01 0.31 -0.01 0.40 -1.72 0.00 0.00 179.24 178.21 3gpm h ILE 215 N 0.00 1.52 0.00 0.35 2.04 0.60 -3.30 117.51 118.72 3gpm h ILE 215 Ca -0.00 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.05 3gpm h ILE 215 Cb 0.62 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 3gpm h ILE 215 CO 0.04 0.45 0.00 2.30 0.00 0.00 0.00 178.15 180.94 3gpm n ILE 216 N -4.72 0.58 -0.16 -0.67 -5.35 0.26 -2.65 119.36 106.64 3gpm n ILE 216 Ca -0.09 0.14 -0.04 0.00 -0.27 0.00 0.00 62.75 62.49 3gpm n ILE 216 Cb 0.37 -0.88 0.05 0.00 -1.74 0.00 0.00 39.64 37.44 3gpm n ILE 216 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3gpm h LYS 217 N 0.00 0.44 -1.69 6.28 2.10 -1.52 0.15 116.57 122.33 3gpm h LYS 217 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3gpm h LYS 217 Cb 0.16 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3gpm h LYS 217 CO 0.00 0.29 0.00 0.41 -2.00 0.00 0.00 179.45 178.15 3gpm n GLY 218 N -1.25 0.98 0.15 0.07 0.00 -1.08 -3.55 105.19 100.51 3gpm n GLY 218 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3gpm n GLY 218 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3gpm h SER 219 N 1.57 0.00 -0.19 1.61 0.87 -1.18 -3.21 113.55 113.01 3gpm h SER 219 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3gpm h SER 219 Cb 0.43 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.37 3gpm h SER 219 CO 0.00 0.57 0.07 0.77 -0.53 0.00 0.00 176.83 177.71 3gpm h SER 220 N 0.00 0.33 -0.38 6.23 4.64 -1.82 -3.31 113.55 119.24 3gpm h SER 220 Ca -0.01 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 3gpm h SER 220 Cb 1.06 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.06 3gpm h SER 220 CO 0.07 0.33 0.05 -0.07 -0.87 0.00 0.00 176.83 176.35 3gpm h LEU 221 N 0.36 0.62-10.28 5.97 3.38 -1.87 -3.45 115.31 110.05 3gpm h LEU 221 Ca 0.09 -0.27 -0.60 0.00 0.09 0.00 0.00 57.88 57.19 3gpm h LEU 221 Cb 0.14 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3gpm h LEU 221 CO -0.00 0.73 -0.35 -0.55 0.09 0.00 0.00 178.44 178.36 3gpm s SER 222 N -6.07 4.55 -0.06 -0.43 0.15 -1.25 -4.83 113.70 105.76 3gpm s SER 222 Ca -0.13 -1.30 -0.00 0.00 0.70 0.00 0.00 55.95 55.22 3gpm s SER 222 Cb 0.10 0.38 -0.26 0.00 -1.71 0.00 0.00 66.02 64.53 3gpm s SER 222 CO 0.78 -1.03 0.58 0.44 1.20 0.00 0.00 173.24 175.20 3gpm h ASP 223 N 0.88 0.29 -3.23 5.45 3.32 -1.87 -3.46 116.42 117.80 3gpm h ASP 223 Ca -0.38 -0.57 -0.49 0.00 0.02 0.00 0.00 57.03 55.60 3gpm h ASP 223 Cb 1.30 -0.10 -0.38 0.00 0.22 0.00 0.00 39.33 40.38 3gpm h ASP 223 CO 0.60 1.51 -0.78 -0.13 -1.72 0.00 0.00 179.24 178.72 3gpm s ARG 224 N -2.59 1.06 -0.13 3.56 0.52 -1.26 -0.16 118.95 119.95 3gpm s ARG 224 Ca -0.14 -0.13 -0.20 0.00 -0.52 0.00 0.00 55.73 54.75 3gpm s ARG 224 Cb 0.07 -1.38 -0.04 0.00 0.52 0.00 0.00 34.95 34.12 3gpm s ARG 224 CO 0.81 -0.32 0.54 0.54 0.02 0.00 0.00 175.30 176.89 3gpm s VAL 225 N 1.83 5.13 -0.26 3.52 0.11 -0.30 -4.55 120.40 125.89 3gpm s VAL 225 Ca 0.04 1.07 -0.13 0.00 -2.93 0.00 0.00 61.98 60.04 3gpm s VAL 225 Cb -0.13 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 3gpm s VAL 225 CO -0.07 0.27 0.27 -0.83 -3.33 0.00 0.00 175.10 171.41 3gpm s GLY 226 N 0.80 1.95 -0.11 6.54 0.00 -0.70 -2.19 107.32 113.60 3gpm s GLY 226 Ca 0.28 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 44.10 3gpm s GLY 226 CO 0.12 0.72 -0.06 -0.42 0.00 0.00 0.00 173.10 173.46 3gpm s ILE 227 N 1.65 3.75 0.02 0.90 1.01 0.14 0.19 121.20 128.86 3gpm s ILE 227 Ca 0.11 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3gpm s ILE 227 Cb -0.15 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3gpm s ILE 227 CO 0.09 0.55 -0.19 -0.13 0.00 0.00 0.00 174.94 175.26 3gpm s ARG 228 N -0.19 1.36 -0.05 2.79 0.52 0.29 -0.90 118.95 122.78 3gpm s ARG 228 Ca 0.03 -0.79 -0.03 0.00 -0.52 0.00 0.00 55.73 54.42 3gpm s ARG 228 Cb -0.13 -1.39 0.03 0.00 0.52 0.00 0.00 34.95 33.98 3gpm s ARG 228 CO 0.03 0.37 0.12 -0.51 0.02 0.00 0.00 175.30 175.32 3gpm s LEU 229 N -0.85 1.00 0.03 2.53 1.43 0.09 -0.92 118.68 121.98 3gpm s LEU 229 Ca 0.06 0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 53.32 3gpm s LEU 229 Cb -0.08 0.29 -0.00 0.00 0.03 0.00 0.00 46.19 46.43 3gpm s LEU 229 CO 0.01 -0.12 0.15 -0.44 0.23 0.00 0.00 176.35 176.18 3gpm s SER 230 N 0.88 0.07 0.02 2.29 0.01 -1.26 -2.34 113.70 113.37 3gpm s SER 230 Ca -0.07 -0.35 -0.27 0.00 1.31 0.00 0.00 55.95 56.57 3gpm s SER 230 Cb -0.09 0.24 -0.15 0.00 0.21 0.00 0.00 66.02 66.23 3gpm s SER 230 CO -0.04 -0.48 1.16 0.28 0.41 0.00 0.00 173.24 174.57 3gpm h SER 231 N 3.78 -0.71 0.66 2.44 0.02 -1.95 -3.10 113.55 114.71 3gpm h SER 231 Ca -0.32 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 3gpm h SER 231 Cb 1.19 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3gpm h SER 231 CO 0.46 -0.34 0.00 -0.62 -1.14 0.00 0.00 176.83 175.19 3gpm n GLU 232 N -5.35 0.07 -4.22 3.45 1.02 -1.26 -4.84 120.64 109.51 3gpm n GLU 232 Ca -0.11 0.12 -0.27 0.00 -0.02 0.00 0.00 57.16 56.88 3gpm n GLU 232 Cb 0.35 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 3gpm n GLU 232 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gpm s ALA 233 N -2.90 3.90 0.84 0.62 0.00 -1.17 -5.13 121.76 117.92 3gpm s ALA 233 Ca 0.13 -1.53 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 3gpm s ALA 233 Cb 0.14 -0.36 0.14 0.00 0.00 0.00 0.00 23.12 23.04 3gpm s ALA 233 CO 0.38 -0.21 1.18 -1.25 0.00 0.00 0.00 175.76 175.86 3gpm s PRO 234 N -3.99 1.37 -0.00 0.00 0.04 -1.26 -4.59 135.00 126.56 3gpm s PRO 234 Ca 0.32 -0.42 -0.06 0.00 0.04 0.00 0.00 61.00 60.88 3gpm s PRO 234 Cb 0.02 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3gpm s PRO 234 CO 0.18 -1.86 0.24 0.00 0.04 0.00 0.00 177.00 175.59 3gpm s ALA 235 N -3.57 3.88 -0.25 8.56 0.00 -0.46 -4.17 121.76 125.74 3gpm s ALA 235 Ca 0.68 -0.63 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 3gpm s ALA 235 Cb -0.07 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 21.07 3gpm s ALA 235 CO 0.49 0.67 -0.05 -1.17 0.00 0.00 0.00 175.76 175.70 3gpm s LEU 236 N -1.76 3.28 -0.23 0.00 2.96 -0.10 -0.66 118.68 122.17 3gpm s LEU 236 Ca 0.27 -0.91 -0.08 0.00 -0.22 0.00 0.00 54.13 53.19 3gpm s LEU 236 Cb -0.13 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 3gpm s LEU 236 CO 0.16 -0.14 0.08 -0.36 -1.32 0.00 0.00 176.35 174.76 3gpm s PHE 237 N 1.32 3.13 -0.17 5.38 0.40 0.51 -0.55 117.98 127.99 3gpm s PHE 237 Ca -0.00 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3gpm s PHE 237 Cb -0.17 -2.21 0.02 0.00 0.51 0.00 0.00 43.02 41.18 3gpm s PHE 237 CO -0.04 -0.22 -0.17 -1.14 0.70 0.00 0.00 175.22 174.35 3gpm s GLN 238 N 1.32 2.67 -0.12 0.44 0.74 0.13 -0.46 119.66 124.37 3gpm s GLN 238 Ca 0.05 -0.76 -0.06 0.00 0.05 0.00 0.00 55.36 54.64 3gpm s GLN 238 Cb -0.15 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.51 3gpm s GLN 238 CO 0.04 -0.25 0.11 -0.06 -0.55 0.00 0.00 175.29 174.58 3gpm s PHE 239 N 1.36 3.48 0.12 1.67 0.08 0.10 -1.72 117.98 123.07 3gpm s PHE 239 Ca 0.04 0.43 0.05 0.00 0.12 0.00 0.00 56.93 57.57 3gpm s PHE 239 Cb -0.13 -1.93 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 3gpm s PHE 239 CO -0.12 0.63 0.03 -0.51 -0.10 0.00 0.00 175.22 175.16 3gpm s ASP 240 N -0.85 5.12 0.16 1.36 1.01 -1.26 -0.39 116.67 121.82 3gpm s ASP 240 Ca 0.14 -0.19 0.06 0.00 0.71 0.00 0.00 52.55 53.26 3gpm s ASP 240 Cb -0.12 -1.24 -0.04 0.00 1.01 0.00 0.00 42.92 42.53 3gpm s ASP 240 CO 0.03 0.14 -0.12 -0.76 0.21 0.00 0.00 175.17 174.67 3gpm s LEU 241 N -2.60 2.53 -0.59 1.23 1.43 0.81 -4.23 118.68 117.26 3gpm s LEU 241 Ca 0.27 -1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 3gpm s LEU 241 Cb -0.11 -0.46 -0.14 0.00 0.03 0.00 0.00 46.19 45.52 3gpm s LEU 241 CO 0.20 -0.27 1.58 0.29 0.23 0.00 0.00 176.35 178.37 3gpm n LYS 242 N -0.20 0.00 -1.61 1.70 5.02 -1.26 -2.41 118.16 119.40 3gpm n LYS 242 Ca -0.10 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.01 3gpm n LYS 242 Cb 0.60 -0.87 -0.07 0.00 -0.02 0.00 0.00 35.03 34.68 3gpm n LYS 242 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3gpm n SER 243 N 6.00 -5.18 -1.31 4.39 3.41 -1.26 -4.35 113.62 115.32 3gpm n SER 243 Ca 0.39 0.40 -0.01 0.00 -0.26 0.00 0.00 58.87 59.39 3gpm n SER 243 Cb 0.02 -4.26 0.00 0.00 -0.26 0.00 0.00 64.21 59.71 3gpm n SER 243 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gpm n GLY 244 N -0.79 1.48 3.22 5.00 0.00 -1.01 -2.94 105.19 110.15 3gpm n GLY 244 Ca -0.18 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 3gpm n GLY 244 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3gpm s PHE 245 N -6.55 0.40 -0.06 1.61 -0.12 0.12 0.28 117.98 113.65 3gpm s PHE 245 Ca 0.03 -0.82 0.04 0.00 -0.05 0.00 0.00 56.93 56.14 3gpm s PHE 245 Cb -0.01 -0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.19 3gpm s PHE 245 CO 0.01 -0.57 -0.19 -1.17 -0.05 0.00 0.00 175.22 173.25 3gpm s LEU 246 N -2.93 2.41 -0.03 -1.99 2.96 0.47 -0.33 118.68 119.24 3gpm s LEU 246 Ca 0.12 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.62 3gpm s LEU 246 Cb 0.05 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.28 3gpm s LEU 246 CO -0.06 0.27 0.10 0.00 -1.32 0.00 0.00 176.35 175.35 3gpm s GLN 247 N -0.31 0.20 -0.21 1.98 -2.07 0.68 0.01 119.66 119.95 3gpm s GLN 247 Ca 0.02 -0.01 0.01 0.00 -1.82 0.00 0.00 55.36 53.56 3gpm s GLN 247 Cb -0.13 0.09 0.03 0.00 -1.09 0.00 0.00 33.01 31.91 3gpm s GLN 247 CO 0.02 -0.03 -0.16 -0.06 -1.32 0.00 0.00 175.29 173.74 3gpm s PHE 248 N -0.32 2.93 -0.20 9.60 0.40 0.39 -0.27 117.98 130.51 3gpm s PHE 248 Ca -0.04 -1.79 -0.16 0.00 -0.60 0.00 0.00 56.93 54.34 3gpm s PHE 248 Cb -0.03 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 3gpm s PHE 248 CO 0.00 -0.81 0.41 -0.06 0.70 0.00 0.00 175.22 175.46 3gpm s PHE 249 N 1.25 3.38 -0.09 0.36 0.08 0.20 -0.37 117.98 122.79 3gpm s PHE 249 Ca 0.01 0.63 -0.00 0.00 0.12 0.00 0.00 56.93 57.69 3gpm s PHE 249 Cb -0.15 -2.54 0.02 0.00 -0.57 0.00 0.00 43.02 39.79 3gpm s PHE 249 CO -0.10 -0.01 -0.06 -1.17 -0.10 0.00 0.00 175.22 173.78 3gpm s LEU 250 N 1.33 1.11 0.29 -0.37 2.96 0.17 0.20 118.68 124.37 3gpm s LEU 250 Ca 0.20 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 3gpm s LEU 250 Cb -0.15 -0.69 -0.10 0.00 0.50 0.00 0.00 46.19 45.75 3gpm s LEU 250 CO 0.08 -0.11 1.28 0.00 -1.32 0.00 0.00 176.35 176.29 3gpm s ALA 251 N 1.54 3.50 0.50 5.97 0.00 -0.12 -1.35 121.76 131.81 3gpm s ALA 251 Ca 0.00 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 3gpm s ALA 251 Cb -0.13 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.47 3gpm s ALA 251 CO -0.05 -0.55 0.90 -2.14 0.00 0.00 0.00 175.76 173.92 3gpm s PRO 252 N -1.26 3.77 0.89 0.00 0.02 -1.26 -4.81 135.00 132.35 3gpm s PRO 252 Ca 0.51 0.67 -0.13 0.00 0.02 0.00 0.00 61.00 62.06 3gpm s PRO 252 Cb -0.38 -2.23 0.13 0.00 0.02 0.00 0.00 34.50 32.04 3gpm s PRO 252 CO 0.47 -0.25 1.18 0.15 -0.33 0.00 0.00 177.00 178.22 3gpm s LYS 253 N -4.32 1.27 0.00 5.54 1.02 -0.30 -5.00 119.74 117.95 3gpm s LYS 253 Ca 0.54 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.62 3gpm s LYS 253 Cb -0.10 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3gpm s LYS 253 CO 0.38 -2.07 0.00 0.34 -0.92 0.00 0.00 175.35 173.08