#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ofw s ALA 25 N 0.00 3.41 0.07 5.13 0.00 -1.26 -5.06 121.76 124.05 2ofw s ALA 25 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.19 2ofw s ALA 25 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 2ofw s ALA 25 CO 0.00 -1.54 0.00 0.95 0.00 0.00 0.00 175.76 175.17 2ofw s THR 26 N 3.00 4.07 -1.36 0.00 -4.23 -1.26 -4.66 115.64 111.20 2ofw s THR 26 Ca 0.28 -0.88 -0.07 0.00 -1.18 0.00 0.00 61.69 59.84 2ofw s THR 26 Cb -0.13 -2.91 0.03 0.00 1.34 0.00 0.00 72.50 70.82 2ofw s THR 26 CO 0.17 0.18 1.03 0.59 -0.54 0.00 0.00 174.62 176.06 2ofw n ASN 27 N 0.77 -4.40 -4.33 3.99 3.02 -1.26 -5.01 115.26 108.04 2ofw n ASN 27 Ca -0.12 -0.65 -0.32 0.00 -0.03 0.00 0.00 54.58 53.46 2ofw n ASN 27 Cb 0.52 -4.64 -0.15 0.00 -0.61 0.00 0.00 39.78 34.89 2ofw n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ofw s VAL 28 N -3.37 2.56 -0.02 2.41 1.01 -1.26 -5.13 120.40 116.60 2ofw s VAL 28 Ca 0.41 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2ofw s VAL 28 Cb -0.19 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2ofw s VAL 28 CO 0.77 0.56 -0.04 0.42 0.00 0.00 0.00 175.10 176.80 2ofw s THR 29 N 0.04 0.44 0.46 3.92 -4.23 -1.26 -5.14 115.64 109.87 2ofw s THR 29 Ca -0.07 -0.14 -0.24 0.00 -1.18 0.00 0.00 61.69 60.05 2ofw s THR 29 Cb -0.15 -0.44 -0.07 0.00 1.34 0.00 0.00 72.50 73.18 2ofw s THR 29 CO 0.05 0.17 1.32 -0.47 -0.54 0.00 0.00 174.62 175.15 2ofw s TYR 30 N 0.47 2.61 -0.19 3.99 5.04 -1.26 -5.03 117.35 122.98 2ofw s TYR 30 Ca -0.06 1.39 0.01 0.00 -2.44 0.00 0.00 57.07 55.97 2ofw s TYR 30 Cb -0.09 -3.71 0.03 0.00 0.35 0.00 0.00 41.96 38.54 2ofw s TYR 30 CO -0.00 -2.39 -0.13 -0.65 -1.34 0.00 0.00 175.55 171.04 2ofw s GLN 31 N -2.53 2.32 0.41 4.97 -1.52 -1.26 -5.12 119.66 116.93 2ofw s GLN 31 Ca 0.62 -0.83 -0.25 0.00 -1.95 0.00 0.00 55.36 52.95 2ofw s GLN 31 Cb -0.38 -2.43 -0.08 0.00 -0.22 0.00 0.00 33.01 29.89 2ofw s GLN 31 CO 0.48 -0.35 1.20 0.00 -0.25 0.00 0.00 175.29 176.37 2ofw s ALA 32 N 1.36 3.17 0.45 6.09 0.00 -1.26 -5.02 121.76 126.54 2ofw s ALA 32 Ca 0.01 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 2ofw s ALA 32 Cb -0.15 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 2ofw s ALA 32 CO -0.09 -0.62 1.01 -1.01 0.00 0.00 0.00 175.76 175.05 2ofw s HIS 33 N -1.38 3.16 -1.04 0.00 3.76 -1.26 -4.99 115.29 113.55 2ofw s HIS 33 Ca 0.57 1.61 0.27 0.00 -0.15 0.00 0.00 55.06 57.37 2ofw s HIS 33 Cb -0.33 -3.01 0.94 0.00 1.11 0.00 0.00 32.58 31.30 2ofw s HIS 33 CO 0.41 -0.55 1.72 0.72 -0.85 0.00 0.00 174.74 176.19 2ofw n HIS 34 N -0.65 0.00 -4.30 1.40 8.25 -1.26 -4.87 115.22 113.79 2ofw n HIS 34 Ca 0.08 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.22 2ofw n HIS 34 Cb 0.52 -0.38 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 2ofw n HIS 34 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2ofw s VAL 35 N -2.97 3.96 0.38 1.59 -7.23 -1.26 -5.13 120.40 109.74 2ofw s VAL 35 Ca 0.14 -0.74 -0.03 0.00 -1.81 0.00 0.00 61.98 59.54 2ofw s VAL 35 Cb 0.18 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2ofw s VAL 35 CO 0.60 0.33 0.63 -0.94 -0.31 0.00 0.00 175.10 175.41 2ofw s SER 36 N -1.67 6.33 0.26 4.85 1.04 -1.26 -4.99 113.70 118.26 2ofw s SER 36 Ca 0.20 0.69 -0.02 0.00 0.48 0.00 0.00 55.95 57.31 2ofw s SER 36 Cb -0.11 -2.14 0.50 0.00 0.10 0.00 0.00 66.02 64.37 2ofw s SER 36 CO 0.11 -0.36 1.78 0.03 0.98 0.00 0.00 173.24 175.78 2ofw h ARG 37 N 0.85 0.68 -0.35 4.02 3.08 -1.99 -2.07 114.38 118.60 2ofw h ARG 37 Ca -0.48 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 59.44 2ofw h ARG 37 Cb 1.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2ofw h ARG 37 CO 0.63 0.45 -0.14 -0.91 -1.07 0.00 0.00 179.97 178.92 2ofw h ASN 38 N 0.70 0.61 -0.28 7.04 -0.26 -1.97 -0.84 115.58 120.58 2ofw h ASN 38 Ca 0.45 -0.18 -0.14 0.00 -0.56 0.00 0.00 56.30 55.87 2ofw h ASN 38 Cb 0.56 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.66 2ofw h ASN 38 CO -0.32 0.78 -0.36 0.50 -1.06 0.00 0.00 177.43 176.96 2ofw h LYS 39 N 0.56 0.73 -1.00 0.81 1.63 -1.91 -2.87 116.57 114.53 2ofw h LYS 39 Ca 0.10 -0.42 0.12 0.00 -0.85 0.00 0.00 60.65 59.60 2ofw h LYS 39 Cb 0.57 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.15 2ofw h LYS 39 CO 0.04 1.04 0.63 0.00 -3.45 0.00 0.00 179.45 177.71 2ofw h ARG 40 N 0.48 0.96 0.00 1.90 3.08 -1.10 -2.22 114.38 117.48 2ofw h ARG 40 Ca 0.03 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 2ofw h ARG 40 Cb 0.95 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2ofw h ARG 40 CO 0.09 0.64 -0.31 0.78 -1.07 0.00 0.00 179.97 180.09 2ofw h GLY 41 N 0.99 0.00 1.29 0.04 0.00 -1.02 -0.12 103.07 104.25 2ofw h GLY 41 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2ofw h GLY 41 CO -0.26 0.00 -0.38 0.61 0.00 0.00 0.00 176.54 176.51 2ofw n GLN 42 N -3.96 0.04 -0.08 4.80 10.64 -0.86 -4.00 117.38 123.95 2ofw n GLN 42 Ca -0.02 0.01 -0.09 0.00 -1.83 0.00 0.00 57.00 55.07 2ofw n GLN 42 Cb 0.37 -1.53 -0.11 0.00 -0.86 0.00 0.00 30.24 28.12 2ofw n GLN 42 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 2ofw n VAL 43 N -1.58 1.03 -0.25 -0.39 3.14 -1.04 -4.75 118.33 114.48 2ofw n VAL 43 Ca 0.06 -0.55 -0.02 0.00 -2.96 0.00 0.00 64.34 60.87 2ofw n VAL 43 Cb 0.35 -0.81 0.17 0.00 -1.06 0.00 0.00 33.84 32.49 2ofw n VAL 43 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 2ofw h VAL 44 N 0.00 1.23 -2.90 1.55 2.07 -1.16 -3.45 116.25 113.59 2ofw h VAL 44 Ca -0.40 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2ofw h VAL 44 Cb 1.81 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2ofw h VAL 44 CO -0.01 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.45 2ofw n GLY 45 N -1.18 4.41 0.01 2.17 0.00 -1.26 -4.83 105.19 104.52 2ofw n GLY 45 Ca 0.08 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.29 2ofw n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ofw n THR 46 N 0.00 0.06 -1.22 2.61 -2.24 -1.26 -4.96 114.28 107.27 2ofw n THR 46 Ca 0.00 -0.20 -0.24 0.00 -2.27 0.00 0.00 64.05 61.34 2ofw n THR 46 Cb 0.00 0.48 0.19 0.00 -2.10 0.00 0.00 70.33 68.90 2ofw n THR 46 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2ofw n ARG 47 N -1.83 -2.16 -4.62 -0.78 3.00 -1.26 -5.06 116.66 103.94 2ofw n ARG 47 Ca 0.01 -1.50 -0.33 0.00 -0.00 0.00 0.00 57.85 56.04 2ofw n ARG 47 Cb 0.42 -1.25 -0.15 0.00 0.00 0.00 0.00 32.46 31.49 2ofw n ARG 47 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ofw s GLY 48 N -4.52 1.49 0.00 5.14 0.00 -1.26 -4.94 107.32 103.23 2ofw s GLY 48 Ca 0.58 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2ofw s GLY 48 CO 0.43 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 174.10 2ofw n GLY 49 N 3.89 2.44 3.68 0.20 0.00 -1.26 -4.98 105.19 109.16 2ofw n GLY 49 Ca -0.19 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2ofw n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ofw s PHE 50 N -2.49 2.94 -0.02 1.61 5.36 -1.26 -4.74 117.98 119.39 2ofw s PHE 50 Ca 0.00 1.01 0.09 0.00 -0.96 0.00 0.00 56.93 57.08 2ofw s PHE 50 Cb 0.00 -3.52 0.16 0.00 -0.34 0.00 0.00 43.02 39.32 2ofw s PHE 50 CO 0.00 -1.80 1.07 2.89 -1.46 0.00 0.00 175.22 175.92 2ofw n ARG 51 N 5.82 0.15 -1.61 10.12 1.85 -1.26 -5.02 116.66 126.71 2ofw n ARG 51 Ca 0.13 -1.49 -0.48 0.00 -1.00 0.00 0.00 57.85 55.00 2ofw n ARG 51 Cb 0.45 -0.46 -0.04 0.00 -1.05 0.00 0.00 32.46 31.36 2ofw n ARG 51 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2ofw n GLY 52 N 0.01 0.40 3.84 2.89 0.00 -1.22 -4.47 105.19 106.63 2ofw n GLY 52 Ca 0.04 0.57 -0.05 0.00 0.00 0.00 0.00 46.02 46.58 2ofw n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ofw s THR 54 N -2.41 0.97 -0.38 0.00 2.01 -0.94 -0.10 115.64 114.79 2ofw s THR 54 Ca 0.18 -0.37 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2ofw s THR 54 Cb -0.03 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.59 2ofw s THR 54 CO 0.07 0.32 0.22 -0.63 -0.69 0.00 0.00 174.62 173.91 2ofw s ILE 55 N 0.80 4.71 -0.47 1.82 1.01 0.11 -1.17 121.20 128.00 2ofw s ILE 55 Ca -0.12 -0.80 -0.15 0.00 0.00 0.00 0.00 60.65 59.58 2ofw s ILE 55 Cb -0.15 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.78 2ofw s ILE 55 CO 0.02 -0.24 0.39 0.86 0.00 0.00 0.00 174.94 175.98 2ofw s TRP 56 N 1.58 3.26 0.31 3.97 -0.11 0.36 -1.64 118.94 126.67 2ofw s TRP 56 Ca 0.03 -1.07 -0.16 0.00 1.22 0.00 0.00 56.10 56.12 2ofw s TRP 56 Cb -0.19 -3.24 -0.09 0.00 -1.50 0.00 0.00 33.47 28.45 2ofw s TRP 56 CO 0.07 -0.84 0.74 -0.51 -4.62 0.00 0.00 176.95 171.79 2ofw s LEU 57 N 1.60 4.09 -0.09 5.86 1.43 -0.84 -0.37 118.68 130.36 2ofw s LEU 57 Ca 0.04 1.30 -0.16 0.00 -1.03 0.00 0.00 54.13 54.28 2ofw s LEU 57 Cb -0.25 -4.04 0.04 0.00 0.03 0.00 0.00 46.19 41.97 2ofw s LEU 57 CO 0.05 -0.19 0.40 0.28 0.23 0.00 0.00 176.35 177.13 2ofw s THR 58 N -1.94 0.02 -5.00 5.49 -1.32 -0.48 -3.73 115.64 108.69 2ofw s THR 58 Ca 0.53 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.82 2ofw s THR 58 Cb -0.11 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.25 2ofw s THR 58 CO 0.18 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.09 2ofw n GLY 59 N 2.04 -1.09 3.64 6.08 0.00 -1.00 -0.21 105.19 114.65 2ofw n GLY 59 Ca -0.17 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.03 2ofw n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ofw n LEU 60 N 0.00 4.32 -4.64 0.99 4.32 -1.26 -4.42 117.00 116.31 2ofw n LEU 60 Ca 0.00 0.78 -0.47 0.00 -0.02 0.00 0.00 56.01 56.31 2ofw n LEU 60 Cb 0.00 -1.44 -0.04 0.00 -1.62 0.00 0.00 43.42 40.32 2ofw n LEU 60 CO 0.00 -1.68 1.61 -0.24 -1.22 0.00 0.00 177.39 175.86 2ofw n SER 61 N -1.24 3.44 0.00 -1.43 2.88 -1.26 -1.94 113.62 114.07 2ofw n SER 61 Ca 0.14 0.78 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2ofw n SER 61 Cb 0.48 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 2ofw n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ofw n GLY 62 N 4.87 0.13 0.29 0.46 0.00 -1.26 -4.75 105.19 104.94 2ofw n GLY 62 Ca 0.25 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.45 2ofw n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ofw h ALA 63 N 0.00 1.04 0.00 4.61 0.00 -1.73 -3.44 119.26 119.74 2ofw h ALA 63 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ofw h ALA 63 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ofw h ALA 63 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2ofw n GLY 64 N -0.40 1.83 0.13 0.00 0.00 -1.26 -4.74 105.19 100.75 2ofw n GLY 64 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2ofw n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ofw h LYS 65 N 0.00 0.32 -0.28 1.61 1.57 -1.88 -2.42 116.57 115.50 2ofw h LYS 65 Ca 0.00 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 2ofw h LYS 65 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2ofw h LYS 65 CO 0.00 0.41 -0.47 1.15 -0.57 0.00 0.00 179.45 179.97 2ofw h THR 66 N 0.17 1.29 -0.64 -0.16 2.02 -1.97 0.77 112.91 114.40 2ofw h THR 66 Ca 0.07 -1.67 0.04 0.00 0.77 0.00 0.00 66.41 65.62 2ofw h THR 66 Cb 0.22 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 2ofw h THR 66 CO -0.00 0.54 0.37 0.74 0.37 0.00 0.00 175.52 177.54 2ofw h THR 67 N 0.59 1.02 0.05 3.16 2.02 -1.98 -0.86 112.91 116.92 2ofw h THR 67 Ca 0.03 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2ofw h THR 67 Cb 1.04 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2ofw h THR 67 CO 0.10 0.13 -0.03 0.58 0.37 0.00 0.00 175.52 176.67 2ofw h VAL 68 N 0.71 1.28 -0.42 3.16 2.07 -1.30 -2.30 116.25 119.46 2ofw h VAL 68 Ca 0.27 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.55 2ofw h VAL 68 Cb 0.10 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 2ofw h VAL 68 CO -0.14 0.32 0.07 0.77 0.02 0.00 0.00 177.57 178.61 2ofw h SER 69 N -0.68 -0.03 -0.37 0.57 4.64 -0.76 0.17 113.55 117.09 2ofw h SER 69 Ca -0.01 0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 2ofw h SER 69 Cb 0.58 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 2ofw h SER 69 CO 0.01 0.02 -0.39 0.24 -0.87 0.00 0.00 176.83 175.84 2ofw h MET 70 N 0.19 0.92 -0.57 4.77 2.86 -1.24 -1.40 114.93 120.47 2ofw h MET 70 Ca 0.21 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2ofw h MET 70 Cb 0.26 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2ofw h MET 70 CO -0.28 1.15 0.36 0.00 1.06 0.00 0.00 176.91 179.20 2ofw h ALA 71 N 0.76 0.72 -0.41 6.32 0.00 -1.17 0.10 119.26 125.58 2ofw h ALA 71 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2ofw h ALA 71 Cb 0.99 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2ofw h ALA 71 CO 0.10 0.17 0.03 1.25 0.00 0.00 0.00 179.25 180.80 2ofw h LEU 72 N 0.77 0.68 -0.98 0.00 5.85 -0.52 0.21 115.31 121.32 2ofw h LEU 72 Ca 0.21 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.72 2ofw h LEU 72 Cb -0.06 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 2ofw h LEU 72 CO -0.04 0.80 0.62 -0.08 -0.34 0.00 0.00 178.44 179.40 2ofw h GLU 73 N 0.54 1.06 -0.37 1.25 4.81 -1.21 0.19 114.58 120.85 2ofw h GLU 73 Ca 0.12 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2ofw h GLU 73 Cb 0.44 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2ofw h GLU 73 CO 0.02 0.70 0.12 1.49 -0.73 0.00 0.00 179.01 180.61 2ofw h GLU 74 N 1.09 0.57 0.02 1.92 4.81 -0.31 -1.95 114.58 120.72 2ofw h GLU 74 Ca 0.44 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 2ofw h GLU 74 Cb 0.24 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2ofw h GLU 74 CO -0.20 0.57 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.69 2ofw h TYR 75 N 0.45 -0.11 -0.20 0.92 5.03 -0.01 -1.83 116.97 121.21 2ofw h TYR 75 Ca 0.12 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 2ofw h TYR 75 Cb 0.24 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 2ofw h TYR 75 CO 0.01 -0.07 0.08 -0.07 -1.32 0.00 0.00 178.16 176.79 2ofw h LEU 76 N -0.09 0.27 -0.36 2.82 3.38 -0.63 -2.71 115.31 118.00 2ofw h LEU 76 Ca 0.01 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.88 2ofw h LEU 76 Cb 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2ofw h LEU 76 CO -0.04 0.35 0.10 0.58 0.09 0.00 0.00 178.44 179.52 2ofw h VAL 77 N 0.18 0.86 0.00 1.22 2.07 -1.30 -0.86 116.25 118.42 2ofw h VAL 77 Ca 0.07 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2ofw h VAL 77 Cb 0.16 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2ofw h VAL 77 CO -0.01 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2ofw n HIS 79 N -1.12 0.00 -0.85 0.00 -0.00 -0.69 -5.00 115.22 107.56 2ofw n HIS 79 Ca 0.08 -1.10 0.00 0.00 -0.00 0.00 0.00 57.72 56.70 2ofw n HIS 79 Cb 0.07 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 29.85 2ofw n HIS 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2ofw n GLY 80 N -0.65 0.74 3.28 -1.41 0.00 -1.03 -5.02 105.19 101.10 2ofw n GLY 80 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2ofw n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ofw s ILE 81 N -2.80 4.55 0.15 -0.61 1.01 -0.41 -4.41 121.20 118.67 2ofw s ILE 81 Ca 0.00 -1.47 -0.34 0.00 0.00 0.00 0.00 60.65 58.84 2ofw s ILE 81 Cb 0.00 -3.85 -0.16 0.00 0.01 0.00 0.00 42.46 38.46 2ofw s ILE 81 CO 0.00 -0.65 1.31 -2.65 0.00 0.00 0.00 174.94 172.94 2ofw n PRO 82 N 5.01 1.39 -3.82 2.79 -0.02 -1.26 -3.50 135.00 135.60 2ofw n PRO 82 Ca -0.10 0.50 -0.06 0.00 -2.02 0.00 0.00 63.50 61.82 2ofw n PRO 82 Cb 0.42 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 2ofw n PRO 82 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ofw s TYR 84 N -3.38 -0.75 -0.14 0.00 5.04 -0.82 -4.93 117.35 112.36 2ofw s TYR 84 Ca 0.13 1.58 -0.15 0.00 -2.44 0.00 0.00 57.07 56.18 2ofw s TYR 84 Cb -0.04 0.37 -0.04 0.00 0.35 0.00 0.00 41.96 42.60 2ofw s TYR 84 CO 0.06 -0.39 0.36 0.99 -1.34 0.00 0.00 175.55 175.23 2ofw s THR 85 N 1.30 5.26 -0.34 4.34 2.01 -1.26 -1.60 115.64 125.35 2ofw s THR 85 Ca -0.08 0.70 -0.03 0.00 0.31 0.00 0.00 61.69 62.59 2ofw s THR 85 Cb -0.07 -3.70 0.07 0.00 0.01 0.00 0.00 72.50 68.81 2ofw s THR 85 CO -0.13 0.37 0.09 -0.76 -0.69 0.00 0.00 174.62 173.49 2ofw s LEU 86 N 0.53 4.44 -0.12 4.42 1.43 0.79 -4.97 118.68 125.19 2ofw s LEU 86 Ca 0.20 -1.53 -0.07 0.00 -1.03 0.00 0.00 54.13 51.69 2ofw s LEU 86 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2ofw s LEU 86 CO 0.06 -0.37 0.14 -0.62 0.23 0.00 0.00 176.35 175.79 2ofw s ASP 87 N 1.46 6.38 0.05 2.29 2.15 -1.26 -1.31 116.67 126.43 2ofw s ASP 87 Ca 0.00 0.46 -0.11 0.00 0.43 0.00 0.00 52.55 53.33 2ofw s ASP 87 Cb -0.21 -2.07 -0.03 0.00 -0.30 0.00 0.00 42.92 40.31 2ofw s ASP 87 CO -0.02 0.39 1.18 1.23 -0.17 0.00 0.00 175.17 177.78 2ofw h GLY 88 N 5.10 -1.91 0.35 2.66 0.00 -1.35 -0.53 103.07 107.40 2ofw h GLY 88 Ca -0.54 0.94 0.05 0.00 0.00 0.00 0.00 47.33 47.78 2ofw h GLY 88 CO 0.59 -0.62 -0.18 -0.55 0.00 0.00 0.00 176.54 175.78 2ofw h ASP 89 N -0.06 -0.57 -0.66 0.19 5.19 -1.96 -1.51 116.42 117.04 2ofw h ASP 89 Ca 0.04 0.11 0.12 0.00 -0.62 0.00 0.00 57.03 56.68 2ofw h ASP 89 Cb 0.16 0.27 -0.09 0.00 0.18 0.00 0.00 39.33 39.86 2ofw h ASP 89 CO -0.26 -0.23 0.22 0.78 -3.12 0.00 0.00 179.24 176.63 2ofw h ASN 90 N -0.21 0.16 0.27 6.45 -0.26 -1.92 -2.22 115.58 117.85 2ofw h ASN 90 Ca 0.11 0.10 -0.11 0.00 -0.56 0.00 0.00 56.30 55.84 2ofw h ASN 90 Cb 0.37 0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.73 2ofw h ASN 90 CO -0.30 0.08 -0.45 0.40 -1.06 0.00 0.00 177.43 176.10 2ofw h ILE 91 N 0.37 1.32 0.00 2.81 1.08 -0.67 -2.27 117.51 120.15 2ofw h ILE 91 Ca 0.35 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.22 2ofw h ILE 91 Cb 0.51 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.01 2ofw h ILE 91 CO -0.38 0.48 0.00 0.54 -0.69 0.00 0.00 178.15 178.09 2ofw n ARG 92 N -4.00 0.70 0.00 2.37 1.74 -0.61 -1.28 116.66 115.58 2ofw n ARG 92 Ca -0.02 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.12 2ofw n ARG 92 Cb 0.50 -1.17 -0.07 0.00 -1.02 0.00 0.00 32.46 30.70 2ofw n ARG 92 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2ofw n GLN 93 N -0.67 2.90 0.00 5.56 6.02 -0.85 -3.97 117.38 126.36 2ofw n GLN 93 Ca 0.06 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2ofw n GLN 93 Cb 0.03 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2ofw n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ofw n GLY 94 N 1.28 1.02 0.18 1.08 0.00 -0.60 -4.78 105.19 103.37 2ofw n GLY 94 Ca 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 2ofw n GLY 94 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ofw h LEU 95 N 0.00 -0.18 -3.75 0.99 5.85 -1.82 -2.77 115.31 113.63 2ofw h LEU 95 Ca 0.00 0.10 -0.45 0.00 0.84 0.00 0.00 57.88 58.38 2ofw h LEU 95 Cb 0.00 0.18 -0.25 0.00 0.37 0.00 0.00 40.66 40.96 2ofw h LEU 95 CO 0.00 -0.05 0.29 0.59 -0.34 0.00 0.00 178.44 178.93 2ofw n ASN 96 N -5.21 4.32 0.19 1.25 3.02 -0.41 -4.52 115.26 113.91 2ofw n ASN 96 Ca 0.04 -3.73 0.13 0.00 -0.03 0.00 0.00 54.58 50.99 2ofw n ASN 96 Cb 0.23 -0.75 0.39 0.00 -0.61 0.00 0.00 39.78 39.04 2ofw n ASN 96 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2ofw h LYS 97 N 1.35 0.00 -0.92 3.52 2.10 -1.59 -3.14 116.57 117.89 2ofw h LYS 97 Ca 0.46 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.81 2ofw h LYS 97 Cb 1.86 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 33.01 2ofw h LYS 97 CO 0.94 0.00 0.38 0.27 -2.00 0.00 0.00 179.45 179.04 2ofw n ASN 98 N -2.79 3.81 -4.16 7.07 0.23 -1.26 -4.88 115.26 113.29 2ofw n ASN 98 Ca 0.03 -3.09 -0.28 0.00 -0.53 0.00 0.00 54.58 50.71 2ofw n ASN 98 Cb 0.42 -0.73 -0.16 0.00 -2.08 0.00 0.00 39.78 37.22 2ofw n ASN 98 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2ofw s LEU 99 N -2.39 1.93 0.00 -4.53 1.43 -1.19 -5.14 118.68 108.79 2ofw s LEU 99 Ca 0.43 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2ofw s LEU 99 Cb 0.35 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.49 2ofw s LEU 99 CO 0.09 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.44 2ofw n GLY 100 N 3.24 1.46 0.20 -3.19 0.00 -1.26 -5.06 105.19 100.58 2ofw n GLY 100 Ca -0.19 -1.71 0.07 0.00 0.00 0.00 0.00 46.02 44.19 2ofw n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2ofw n PHE 101 N 0.00 0.00 -1.63 1.61 3.72 -1.26 -4.23 117.46 115.67 2ofw n PHE 101 Ca 0.00 -0.68 -0.33 0.00 -0.05 0.00 0.00 57.45 56.38 2ofw n PHE 101 Cb 0.00 -0.12 0.06 0.00 -0.94 0.00 0.00 39.48 38.49 2ofw n PHE 101 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2ofw s SER 102 N -2.27 4.75 0.27 4.37 1.04 -1.26 -4.77 113.70 115.84 2ofw s SER 102 Ca 0.22 2.13 0.01 0.00 0.48 0.00 0.00 55.95 58.79 2ofw s SER 102 Cb 0.19 -2.57 0.58 0.00 0.10 0.00 0.00 66.02 64.32 2ofw s SER 102 CO 0.02 -1.88 1.77 1.55 0.98 0.00 0.00 173.24 175.69 2ofw h PRO 103 N -0.10 0.67 -0.54 4.02 0.13 -1.99 -0.37 132.00 133.83 2ofw h PRO 103 Ca -0.47 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2ofw h PRO 103 Cb 1.26 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2ofw h PRO 103 CO 0.52 0.45 0.15 0.93 -0.23 0.00 0.00 178.00 179.81 2ofw h GLU 104 N 0.69 0.82 -0.09 0.86 3.07 -1.99 -1.46 114.58 116.49 2ofw h GLU 104 Ca 0.49 -0.16 -0.23 0.00 -0.50 0.00 0.00 59.36 58.96 2ofw h GLU 104 Cb 0.69 -0.13 0.01 0.00 -0.84 0.00 0.00 28.75 28.48 2ofw h GLU 104 CO -0.36 0.73 -0.86 -0.44 -1.40 0.00 0.00 179.01 176.68 2ofw h ASP 105 N 0.80 0.87 -0.47 1.42 5.19 -1.41 -2.25 116.42 120.55 2ofw h ASP 105 Ca 0.18 -0.61 -0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2ofw h ASP 105 Cb 0.27 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 2ofw h ASP 105 CO -0.00 1.41 0.30 0.03 -3.12 0.00 0.00 179.24 177.85 2ofw h ARG 106 N 0.46 0.65 -0.68 3.56 3.08 -1.20 0.17 114.38 120.41 2ofw h ARG 106 Ca -0.07 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 2ofw h ARG 106 Cb 1.49 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 2ofw h ARG 106 CO 0.17 0.45 0.15 1.49 -1.07 0.00 0.00 179.97 181.16 2ofw h GLU 107 N 0.66 1.11 -0.07 0.04 4.81 -0.96 -1.13 114.58 119.05 2ofw h GLU 107 Ca 0.18 -0.28 -0.23 0.00 -0.13 0.00 0.00 59.36 58.90 2ofw h GLU 107 Cb -0.03 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.22 2ofw h GLU 107 CO -0.03 0.99 -0.87 1.49 -0.73 0.00 0.00 179.01 179.86 2ofw h GLU 108 N 1.04 0.60 0.02 1.92 4.57 -0.92 -0.79 114.58 121.02 2ofw h GLU 108 Ca 0.21 -0.56 0.02 0.00 -1.18 0.00 0.00 59.36 57.85 2ofw h GLU 108 Cb 0.40 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 2ofw h GLU 108 CO 0.01 1.17 -0.14 -0.97 -1.18 0.00 0.00 179.01 177.91 2ofw h ASN 109 N 0.38 -0.39 -0.09 1.04 -1.24 -0.62 -0.46 115.58 114.20 2ofw h ASN 109 Ca -0.07 0.05 -0.12 0.00 0.71 0.00 0.00 56.30 56.87 2ofw h ASN 109 Cb 1.49 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.69 2ofw h ASN 109 CO 0.16 -0.19 -0.33 0.58 -1.29 0.00 0.00 177.43 176.36 2ofw h VAL 110 N -0.24 1.29 -0.30 2.57 2.07 -1.24 -2.92 116.25 117.48 2ofw h VAL 110 Ca 0.04 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.13 2ofw h VAL 110 Cb 0.29 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2ofw h VAL 110 CO -0.12 0.46 0.13 -0.09 0.02 0.00 0.00 177.57 177.98 2ofw h ARG 111 N 0.50 0.28 -0.21 1.57 2.43 -0.95 -2.35 114.38 115.64 2ofw h ARG 111 Ca 0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2ofw h ARG 111 Cb 0.82 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 2ofw h ARG 111 CO 0.07 0.18 0.08 0.00 -1.51 0.00 0.00 179.97 178.79 2ofw h ARG 112 N 0.28 0.32 0.00 0.20 3.08 -1.01 -2.42 114.38 114.83 2ofw h ARG 112 Ca 0.13 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2ofw h ARG 112 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2ofw h ARG 112 CO -0.11 0.38 -0.42 0.97 -1.07 0.00 0.00 179.97 179.73 2ofw h ILE 113 N 0.19 1.18 -0.44 2.04 6.09 -1.55 -1.46 117.51 123.56 2ofw h ILE 113 Ca 0.07 -1.51 -0.07 0.00 -1.37 0.00 0.00 64.86 61.98 2ofw h ILE 113 Cb 0.19 1.84 -0.02 0.00 0.47 0.00 0.00 36.82 39.30 2ofw h ILE 113 CO -0.01 0.41 0.00 0.00 -3.07 0.00 0.00 178.15 175.49 2ofw h ALA 114 N 1.58 0.59 -0.86 0.18 0.00 -1.26 0.33 119.26 119.81 2ofw h ALA 114 Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2ofw h ALA 114 Cb 0.81 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2ofw h ALA 114 CO 0.05 0.38 0.56 0.93 0.00 0.00 0.00 179.25 181.17 2ofw h GLU 115 N 0.61 1.06 -0.30 0.00 4.39 -0.94 -1.26 114.58 118.16 2ofw h GLU 115 Ca 0.12 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.58 2ofw h GLU 115 Cb 0.49 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2ofw h GLU 115 CO 0.02 0.70 -0.53 0.28 -1.16 0.00 0.00 179.01 178.33 2ofw h VAL 116 N 1.09 1.28 -0.67 3.13 2.07 -1.07 -3.11 116.25 118.97 2ofw h VAL 116 Ca 0.34 -1.71 0.04 0.00 0.82 0.00 0.00 66.70 66.19 2ofw h VAL 116 Cb -0.02 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 2ofw h VAL 116 CO -0.11 0.56 0.41 0.00 0.02 0.00 0.00 177.57 178.45 2ofw h ALA 117 N 0.72 0.88 -0.52 1.67 0.00 -0.70 -1.45 119.26 119.87 2ofw h ALA 117 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2ofw h ALA 117 Cb 1.13 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2ofw h ALA 117 CO 0.12 0.15 0.22 -0.22 0.00 0.00 0.00 179.25 179.51 2ofw h LYS 118 N 0.78 0.75 -0.27 0.00 3.64 -1.20 0.51 116.57 120.78 2ofw h LYS 118 Ca 0.28 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 2ofw h LYS 118 Cb 0.07 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2ofw h LYS 118 CO -0.13 0.61 0.07 -0.07 -2.27 0.00 0.00 179.45 177.66 2ofw h LEU 119 N 0.74 0.41 -0.49 5.20 3.38 -1.37 0.53 115.31 123.72 2ofw h LEU 119 Ca 0.18 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2ofw h LEU 119 Cb 0.14 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2ofw h LEU 119 CO -0.02 0.53 0.24 -0.26 0.09 0.00 0.00 178.44 179.02 2ofw h PHE 120 N 0.27 0.44 -0.45 1.13 0.04 -0.47 0.12 116.94 118.03 2ofw h PHE 120 Ca 0.09 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2ofw h PHE 120 Cb 0.28 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.28 2ofw h PHE 120 CO 0.01 0.21 0.25 0.00 -0.60 0.00 0.00 178.31 178.19 2ofw h ALA 121 N 1.27 0.57 -0.12 2.45 0.00 -0.84 -0.97 119.26 121.61 2ofw h ALA 121 Ca 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2ofw h ALA 121 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2ofw h ALA 121 CO -0.16 0.08 -0.07 0.22 0.00 0.00 0.00 179.25 179.32 2ofw h ASP 122 N 0.59 0.17 0.88 0.00 3.58 -0.66 -0.95 116.42 120.02 2ofw h ASP 122 Ca 0.16 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.58 2ofw h ASP 122 Cb 0.03 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.04 2ofw h ASP 122 CO -0.03 0.27 0.00 0.00 -2.88 0.00 0.00 179.24 176.60 2ofw n ALA 123 N -2.50 1.96 0.00 -0.78 0.00 0.01 -4.87 120.51 114.33 2ofw n ALA 123 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2ofw n ALA 123 Cb 0.21 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2ofw n ALA 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ofw n GLY 124 N 0.65 0.85 3.85 0.00 0.00 -0.36 -4.84 105.19 105.34 2ofw n GLY 124 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2ofw n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ofw s LEU 125 N 0.00 4.02 -0.45 0.99 1.02 -0.39 -3.45 118.68 120.42 2ofw s LEU 125 Ca 0.00 1.26 -0.29 0.00 0.02 0.00 0.00 54.13 55.13 2ofw s LEU 125 Cb 0.00 -4.08 0.03 0.00 0.02 0.00 0.00 46.19 42.16 2ofw s LEU 125 CO 0.00 -0.24 1.10 -0.69 0.02 0.00 0.00 176.35 176.55 2ofw s VAL 126 N -2.05 4.29 -0.22 -1.59 1.01 -1.03 -1.93 120.40 118.88 2ofw s VAL 126 Ca 0.54 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 63.68 2ofw s VAL 126 Cb -0.10 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 2ofw s VAL 126 CO 0.19 -0.90 0.14 0.00 0.00 0.00 0.00 175.10 174.54 2ofw s ILE 128 N 0.80 3.01 0.01 0.00 -1.09 -0.63 0.04 121.20 123.36 2ofw s ILE 128 Ca 0.07 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 57.87 2ofw s ILE 128 Cb -0.13 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 2ofw s ILE 128 CO 0.02 0.49 0.03 0.42 -1.23 0.00 0.00 174.94 174.67 2ofw s THR 129 N 0.97 4.33 -0.48 2.92 -4.23 -0.65 -0.15 115.64 118.34 2ofw s THR 129 Ca -0.02 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.94 2ofw s THR 129 Cb -0.15 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 70.89 2ofw s THR 129 CO -0.01 0.33 0.37 -0.94 -0.54 0.00 0.00 174.62 173.82 2ofw s SER 130 N -1.74 2.41 0.11 3.99 1.04 -0.43 -1.99 113.70 117.10 2ofw s SER 130 Ca 0.22 -3.20 0.10 0.00 0.48 0.00 0.00 55.95 53.55 2ofw s SER 130 Cb -0.12 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.22 2ofw s SER 130 CO 0.13 -0.16 -0.22 -0.36 0.98 0.00 0.00 173.24 173.61 2ofw s PHE 131 N -0.24 2.44 0.24 5.02 2.99 -1.24 -0.79 117.98 126.38 2ofw s PHE 131 Ca 0.30 -0.32 -0.05 0.00 0.00 0.00 0.00 56.93 56.85 2ofw s PHE 131 Cb -0.01 -1.33 0.41 0.00 0.00 0.00 0.00 43.02 42.09 2ofw s PHE 131 CO -0.17 0.33 1.74 0.82 -0.00 0.00 0.00 175.22 177.94 2ofw h ILE 132 N 3.78 0.71 -6.73 0.64 2.04 -1.86 -3.38 117.51 112.71 2ofw h ILE 132 Ca -0.50 -0.16 -0.49 0.00 1.00 0.00 0.00 64.86 64.71 2ofw h ILE 132 Cb 1.16 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 2ofw h ILE 132 CO 0.43 0.08 -1.05 -1.54 0.00 0.00 0.00 178.15 176.08 2ofw n SER 133 N -4.98 -4.84 0.00 1.72 3.41 -1.26 -2.37 113.62 105.30 2ofw n SER 133 Ca 0.13 -0.99 0.13 0.00 -0.26 0.00 0.00 58.87 57.88 2ofw n SER 133 Cb 0.37 -1.79 0.60 0.00 -0.26 0.00 0.00 64.21 63.13 2ofw n SER 133 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2ofw n PRO 134 N -2.97 0.02 -4.01 4.33 -0.04 -1.26 -4.75 135.00 126.32 2ofw n PRO 134 Ca -0.28 0.02 -0.35 0.00 -0.04 0.00 0.00 63.50 62.85 2ofw n PRO 134 Cb 0.67 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.52 2ofw n PRO 134 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2ofw s TYR 135 N -2.98 3.17 0.23 0.54 2.02 -1.26 -0.01 117.35 119.05 2ofw s TYR 135 Ca 0.14 -0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.65 2ofw s TYR 135 Cb 0.18 -2.11 0.21 0.00 -0.40 0.00 0.00 41.96 39.84 2ofw s TYR 135 CO 0.50 -0.02 1.90 1.15 -1.57 0.00 0.00 175.55 177.52 2ofw h THR 136 N 5.10 1.23 -0.60 -0.71 2.02 -1.86 -2.56 112.91 115.54 2ofw h THR 136 Ca -0.36 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 2ofw h THR 136 Cb 1.17 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 2ofw h THR 136 CO 0.65 0.23 0.17 1.56 0.37 0.00 0.00 175.52 178.50 2ofw h GLN 137 N 1.20 0.94 -0.45 6.66 1.08 -1.97 -1.00 115.11 121.56 2ofw h GLN 137 Ca 0.32 -0.21 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 2ofw h GLN 137 Cb -0.12 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.16 2ofw h GLN 137 CO -0.07 0.85 -0.09 -0.44 -0.95 0.00 0.00 178.83 178.12 2ofw h ASP 138 N 0.86 0.86 -0.60 1.46 3.32 -1.95 0.38 116.42 120.74 2ofw h ASP 138 Ca 0.19 -0.36 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2ofw h ASP 138 Cb 0.31 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 2ofw h ASP 138 CO -0.00 1.01 0.27 0.03 -1.72 0.00 0.00 179.24 178.83 2ofw h ARG 139 N 0.69 0.91 -0.50 3.56 3.08 -1.30 -1.03 114.38 119.79 2ofw h ARG 139 Ca 0.11 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2ofw h ARG 139 Cb 0.63 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2ofw h ARG 139 CO 0.04 0.73 0.05 -0.91 -1.07 0.00 0.00 179.97 178.82 2ofw h ASN 140 N 0.90 0.76 -0.40 7.04 2.35 -1.03 -1.42 115.58 123.78 2ofw h ASN 140 Ca 0.22 -0.16 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 2ofw h ASN 140 Cb 0.14 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2ofw h ASN 140 CO -0.02 0.80 0.01 -1.13 -1.65 0.00 0.00 177.43 175.43 2ofw h ASN 141 N 0.76 0.69 -0.77 5.81 -0.73 -0.34 -1.23 115.58 119.78 2ofw h ASN 141 Ca 0.16 -0.30 -0.01 0.00 1.87 0.00 0.00 56.30 58.01 2ofw h ASN 141 Cb 0.38 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.75 2ofw h ASN 141 CO 0.01 0.83 0.43 0.00 -0.37 0.00 0.00 177.43 178.33 2ofw h ALA 142 N 0.89 0.98 -0.03 1.57 0.00 -0.98 -1.36 119.26 120.33 2ofw h ALA 142 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ofw h ALA 142 Cb 0.47 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2ofw h ALA 142 CO 0.02 0.48 -0.05 -0.09 0.00 0.00 0.00 179.25 179.61 2ofw h ARG 143 N 1.06 -0.07 -0.91 0.00 2.43 -1.09 -2.95 114.38 112.84 2ofw h ARG 143 Ca 0.27 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.46 2ofw h ARG 143 Cb 0.01 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.53 2ofw h ARG 143 CO -0.05 -0.05 0.61 0.37 -1.51 0.00 0.00 179.97 179.34 2ofw h GLN 144 N -0.07 1.20 -0.80 0.20 5.75 -0.89 0.25 115.11 120.75 2ofw h GLN 144 Ca 0.03 -0.07 0.13 0.00 -0.15 0.00 0.00 58.65 58.59 2ofw h GLN 144 Cb 0.12 -0.27 -0.09 0.00 1.07 0.00 0.00 27.48 28.31 2ofw h GLN 144 CO -0.07 0.80 0.40 0.82 -2.65 0.00 0.00 178.83 178.12 2ofw h ILE 145 N 1.24 0.76 0.00 2.39 2.04 -1.13 -0.34 117.51 122.47 2ofw h ILE 145 Ca 0.33 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2ofw h ILE 145 Cb -0.14 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 2ofw h ILE 145 CO -0.07 0.11 -0.00 0.45 0.00 0.00 0.00 178.15 178.64 2ofw h HIS 146 N 0.61 -0.00 0.00 1.37 3.86 -1.16 -3.30 115.15 116.52 2ofw h HIS 146 Ca 0.43 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.58 2ofw h HIS 146 Cb 0.57 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 2ofw h HIS 146 CO -0.10 0.89 -0.28 0.93 0.86 0.00 0.00 177.93 180.22 2ofw h GLU 147 N -0.97 0.00 -0.29 2.45 5.08 -0.46 0.30 114.58 120.69 2ofw h GLU 147 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2ofw h GLU 147 Cb 0.89 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2ofw h GLU 147 CO 0.00 0.28 -0.03 0.78 -1.00 0.00 0.00 179.01 179.05 2ofw h GLY 148 N 0.87 0.48 -3.04 -3.84 0.00 -1.21 -2.61 103.07 93.71 2ofw h GLY 148 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2ofw h GLY 148 CO 0.04 0.26 0.00 0.00 0.00 0.00 0.00 176.54 176.84 2ofw n ALA 149 N -2.48 3.50 -3.12 3.60 0.00 0.03 -4.94 120.51 117.09 2ofw n ALA 149 Ca 0.01 -1.54 -0.23 0.00 0.00 0.00 0.00 53.44 51.68 2ofw n ALA 149 Cb 0.24 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.65 2ofw n ALA 149 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ofw n SER 150 N 0.64 -6.14 -4.33 0.00 7.64 -0.84 -5.00 113.62 105.58 2ofw n SER 150 Ca 0.23 -0.33 -0.33 0.00 1.01 0.00 0.00 58.87 59.45 2ofw n SER 150 Cb 0.98 -4.94 -0.15 0.00 -1.01 0.00 0.00 64.21 59.09 2ofw n SER 150 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ofw s LEU 151 N -6.80 2.57 0.32 -3.43 1.43 -0.78 -5.02 118.68 106.98 2ofw s LEU 151 Ca 0.35 -0.38 -0.28 0.00 -1.03 0.00 0.00 54.13 52.79 2ofw s LEU 151 Cb -0.16 -1.57 -0.13 0.00 0.03 0.00 0.00 46.19 44.37 2ofw s LEU 151 CO 0.44 0.16 1.17 -2.65 0.23 0.00 0.00 176.35 175.70 2ofw n PRO 152 N 3.56 1.80 -3.73 1.29 -0.02 -1.26 -3.75 135.00 132.89 2ofw n PRO 152 Ca -0.18 0.63 -0.20 0.00 -2.02 0.00 0.00 63.50 61.72 2ofw n PRO 152 Cb 0.53 -2.12 -0.18 0.00 -0.02 0.00 0.00 33.50 31.71 2ofw n PRO 152 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2ofw s PHE 153 N -1.07 0.26 -0.23 6.00 2.19 -1.26 -2.22 117.98 121.65 2ofw s PHE 153 Ca 0.57 0.10 0.02 0.00 0.33 0.00 0.00 56.93 57.95 2ofw s PHE 153 Cb -0.63 -0.55 0.05 0.00 -1.31 0.00 0.00 43.02 40.58 2ofw s PHE 153 CO 0.61 -0.22 -0.10 -0.06 1.83 0.00 0.00 175.22 177.29 2ofw s PHE 154 N 1.94 2.70 -0.21 10.12 0.40 -0.32 -5.00 117.98 127.61 2ofw s PHE 154 Ca 0.03 -1.87 -0.20 0.00 -0.60 0.00 0.00 56.93 54.29 2ofw s PHE 154 Cb -0.12 -1.73 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 2ofw s PHE 154 CO -0.04 -0.80 0.60 -2.00 0.70 0.00 0.00 175.22 173.69 2ofw s GLU 155 N 1.30 4.18 -0.24 0.44 2.12 -1.26 0.13 118.70 125.37 2ofw s GLU 155 Ca -0.04 0.54 0.02 0.00 0.36 0.00 0.00 54.97 55.85 2ofw s GLU 155 Cb -0.18 -3.59 0.05 0.00 0.26 0.00 0.00 34.13 30.67 2ofw s GLU 155 CO -0.07 -0.26 -0.13 0.08 -0.54 0.00 0.00 175.26 174.34 2ofw s VAL 156 N 2.00 2.19 -0.36 3.70 1.01 0.50 -1.99 120.40 127.44 2ofw s VAL 156 Ca 0.27 -1.41 -0.27 0.00 0.00 0.00 0.00 61.98 60.57 2ofw s VAL 156 Cb -0.16 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.06 2ofw s VAL 156 CO 0.10 0.14 0.97 0.12 0.00 0.00 0.00 175.10 176.43 2ofw s PHE 157 N 1.17 3.08 -0.65 5.22 5.36 -0.60 -1.38 117.98 130.18 2ofw s PHE 157 Ca -0.05 0.87 -0.21 0.00 -0.96 0.00 0.00 56.93 56.59 2ofw s PHE 157 Cb -0.18 -3.70 0.09 0.00 -0.34 0.00 0.00 43.02 38.89 2ofw s PHE 157 CO -0.07 -0.83 0.86 0.08 -1.46 0.00 0.00 175.22 173.80 2ofw s VAL 158 N 3.57 4.58 -0.38 3.12 1.01 0.70 -0.44 120.40 132.57 2ofw s VAL 158 Ca 0.40 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 2ofw s VAL 158 Cb -0.12 -4.61 0.06 0.00 0.00 0.00 0.00 36.38 31.71 2ofw s VAL 158 CO 0.19 -1.32 0.18 -0.62 0.00 0.00 0.00 175.10 173.53 2ofw s ASP 159 N 3.64 5.49 -0.02 3.32 -1.08 0.56 -4.33 116.67 124.25 2ofw s ASP 159 Ca 0.18 -1.31 -0.02 0.00 -0.52 0.00 0.00 52.55 50.88 2ofw s ASP 159 Cb -0.19 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 2ofw s ASP 159 CO 0.07 -0.43 0.06 0.00 0.52 0.00 0.00 175.17 175.39 2ofw s ALA 160 N 1.42 -0.13 0.84 3.66 0.00 -1.26 -2.72 121.76 123.56 2ofw s ALA 160 Ca 0.01 0.11 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 2ofw s ALA 160 Cb -0.21 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.88 2ofw s ALA 160 CO 0.03 -0.04 0.76 -2.30 0.00 0.00 0.00 175.76 174.21 2ofw n PRO 161 N 2.91 -0.00 -0.05 0.00 -0.02 -1.26 -4.79 135.00 131.79 2ofw n PRO 161 Ca -0.13 0.06 -0.11 0.00 -2.02 0.00 0.00 63.50 61.30 2ofw n PRO 161 Cb 0.59 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 2ofw n PRO 161 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2ofw h LEU 162 N -1.08 -1.33 -0.48 2.45 3.38 -1.99 -2.45 115.31 113.81 2ofw h LEU 162 Ca -0.45 0.19 0.09 0.00 0.09 0.00 0.00 57.88 57.80 2ofw h LEU 162 Cb 1.30 0.56 -0.07 0.00 0.09 0.00 0.00 40.66 42.54 2ofw h LEU 162 CO 0.41 -0.40 0.07 1.12 0.09 0.00 0.00 178.44 179.73 2ofw h HIS 163 N -0.42 0.10 -0.10 1.13 2.07 -1.98 0.24 115.15 116.20 2ofw h HIS 163 Ca 0.10 0.03 0.03 0.00 -2.85 0.00 0.00 60.37 57.68 2ofw h HIS 163 Cb 0.60 0.03 -0.03 0.00 2.57 0.00 0.00 27.41 30.58 2ofw h HIS 163 CO -0.53 -0.03 -0.08 0.28 -3.07 0.00 0.00 177.93 174.49 2ofw h VAL 164 N 0.20 0.75 -0.98 6.12 2.07 -1.89 0.75 116.25 123.27 2ofw h VAL 164 Ca 0.24 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.85 2ofw h VAL 164 Cb 0.34 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 2ofw h VAL 164 CO -0.34 0.00 0.63 0.00 0.02 0.00 0.00 177.57 177.88 2ofw h GLU 166 N 1.06 0.35 0.00 0.00 4.57 0.50 -2.79 114.58 118.26 2ofw h GLU 166 Ca 0.45 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 2ofw h GLU 166 Cb 0.33 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2ofw h GLU 166 CO -0.21 0.89 0.00 0.94 -1.18 0.00 0.00 179.01 179.45 2ofw n GLN 167 N -3.86 0.20 -0.11 1.92 -0.06 0.25 -4.07 117.38 111.66 2ofw n GLN 167 Ca -0.03 0.05 -0.22 0.00 -2.00 0.00 0.00 57.00 54.80 2ofw n GLN 167 Cb 0.66 -1.50 -0.11 0.00 -4.06 0.00 0.00 30.24 25.24 2ofw n GLN 167 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2ofw n ARG 168 N -1.39 0.56 -1.38 3.69 1.74 -0.48 -4.97 116.66 114.43 2ofw n ARG 168 Ca 0.10 0.52 -0.52 0.00 -0.77 0.00 0.00 57.85 57.18 2ofw n ARG 168 Cb 0.25 -1.70 -0.11 0.00 -1.02 0.00 0.00 32.46 29.88 2ofw n ARG 168 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2ofw n ASP 169 N -4.42 1.13 0.13 0.55 5.75 -1.14 -4.80 116.55 113.74 2ofw n ASP 169 Ca -0.34 0.42 0.01 0.00 -0.01 0.00 0.00 54.79 54.87 2ofw n ASP 169 Cb 0.68 -1.05 0.35 0.00 -1.03 0.00 0.00 41.12 40.08 2ofw n ASP 169 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 2ofw h VAL 170 N 7.30 1.22 0.00 2.12 -1.51 -1.94 -3.35 116.25 120.09 2ofw h VAL 170 Ca -0.14 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.29 2ofw h VAL 170 Cb 1.36 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 2ofw h VAL 170 CO 1.14 0.31 0.00 0.29 -1.23 0.00 0.00 177.57 178.08 2ofw n LYS 171 N -4.19 0.00 0.00 5.19 5.02 -1.26 -4.99 118.16 117.93 2ofw n LYS 171 Ca -0.01 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2ofw n LYS 171 Cb 0.34 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 2ofw n LYS 171 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ofw n GLY 172 N -0.52 1.92 0.15 0.72 0.00 -1.26 -5.05 105.19 101.16 2ofw n GLY 172 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2ofw n GLY 172 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ofw h LEU 173 N 0.00 0.54 -0.91 0.99 3.38 -1.94 -3.19 115.31 114.19 2ofw h LEU 173 Ca 0.00 -0.65 0.18 0.00 0.09 0.00 0.00 57.88 57.50 2ofw h LEU 173 Cb 0.00 -0.16 -0.11 0.00 0.09 0.00 0.00 40.66 40.49 2ofw h LEU 173 CO 0.00 1.10 0.48 1.88 0.09 0.00 0.00 178.44 181.99 2ofw h TYR 174 N 0.01 0.83 -0.46 1.13 0.05 -1.96 0.30 116.97 116.87 2ofw h TYR 174 Ca -0.03 0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 2ofw h TYR 174 Cb 1.09 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.59 2ofw h TYR 174 CO 0.12 0.14 0.01 -0.22 -1.05 0.00 0.00 178.16 177.15 2ofw h LYS 175 N 0.61 0.80 -0.45 4.88 3.64 -1.97 -0.03 116.57 124.06 2ofw h LYS 175 Ca 0.52 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2ofw h LYS 175 Cb 0.84 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 2ofw h LYS 175 CO -0.41 0.86 0.24 0.87 -2.27 0.00 0.00 179.45 178.74 2ofw h LYS 176 N 0.65 0.63 -0.89 1.90 1.57 -1.04 0.20 116.57 119.60 2ofw h LYS 176 Ca 0.13 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2ofw h LYS 176 Cb 0.49 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 2ofw h LYS 176 CO 0.02 0.51 0.59 0.00 -0.57 0.00 0.00 179.45 180.00 2ofw h ALA 177 N 1.09 1.38 -0.32 3.86 0.00 -0.39 0.27 119.26 125.15 2ofw h ALA 177 Ca 0.16 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 2ofw h ALA 177 Cb 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2ofw h ALA 177 CO -0.02 0.56 -0.44 -0.09 0.00 0.00 0.00 179.25 179.25 2ofw h ARG 178 N 1.19 0.83 0.00 0.00 2.43 -0.56 -2.93 114.38 115.33 2ofw h ARG 178 Ca 0.33 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2ofw h ARG 178 Cb -0.10 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2ofw h ARG 178 CO -0.08 1.10 0.00 0.00 -1.51 0.00 0.00 179.97 179.48 2ofw n ALA 179 N -2.54 2.01 -0.74 2.80 0.00 0.68 -4.86 120.51 117.86 2ofw n ALA 179 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2ofw n ALA 179 Cb 0.57 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2ofw n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ofw n GLY 180 N 0.17 0.72 0.12 0.00 0.00 -0.73 -4.94 105.19 100.54 2ofw n GLY 180 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.09 2ofw n GLY 180 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ofw h GLU 181 N 2.46 0.00 -5.51 1.61 4.39 -0.72 -3.42 114.58 113.38 2ofw h GLU 181 Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 2ofw h GLU 181 Cb 0.00 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 28.33 2ofw h GLU 181 CO 0.00 0.71 -0.87 0.42 -1.16 0.00 0.00 179.01 178.11 2ofw s ILE 182 N -3.38 2.19 0.09 3.13 1.01 -1.18 -4.93 121.20 118.13 2ofw s ILE 182 Ca -0.01 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.67 2ofw s ILE 182 Cb 0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2ofw s ILE 182 CO 0.78 0.56 0.20 -0.54 0.00 0.00 0.00 174.94 175.93 2ofw s LYS 183 N 0.20 3.30 -1.47 2.79 3.01 -1.26 -4.47 119.74 121.85 2ofw s LYS 183 Ca -0.14 -0.56 -0.11 0.00 -1.01 0.00 0.00 55.97 54.16 2ofw s LYS 183 Cb -0.17 -2.94 0.06 0.00 -1.01 0.00 0.00 37.83 33.77 2ofw s LYS 183 CO 0.07 0.57 0.87 0.41 0.51 0.00 0.00 175.35 177.78 2ofw n GLY 184 N 0.06 -0.51 3.71 -3.33 0.00 -1.26 -4.94 105.19 98.92 2ofw n GLY 184 Ca -0.06 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2ofw n GLY 184 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ofw s PHE 185 N -3.22 3.63 0.06 1.61 5.36 -1.26 -4.42 117.98 119.74 2ofw s PHE 185 Ca 0.54 1.63 -0.30 0.00 -0.96 0.00 0.00 56.93 57.84 2ofw s PHE 185 Cb -0.26 -3.17 -0.09 0.00 -0.34 0.00 0.00 43.02 39.15 2ofw s PHE 185 CO 0.67 -0.24 1.90 0.99 -1.46 0.00 0.00 175.22 177.08 2ofw s THR 186 N 0.95 2.91 0.00 0.12 2.01 -1.26 -1.76 115.64 118.61 2ofw s THR 186 Ca 0.53 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.62 2ofw s THR 186 Cb -0.23 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.22 2ofw s THR 186 CO 0.28 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 2ofw n GLY 187 N 4.41 0.31 0.00 4.40 0.00 0.13 -4.71 105.19 109.72 2ofw n GLY 187 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2ofw n GLY 187 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ofw n ILE 188 N -1.90 0.00 1.08 -0.61 2.08 -0.72 -4.93 119.36 114.35 2ofw n ILE 188 Ca 0.00 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.43 2ofw n ILE 188 Cb 0.00 -0.02 0.15 0.00 -0.75 0.00 0.00 39.64 39.03 2ofw n ILE 188 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2ofw n ASP 189 N -0.04 1.12 -4.34 4.38 3.85 -1.01 -4.84 116.55 115.67 2ofw n ASP 189 Ca 0.00 -0.89 -0.31 0.00 -0.71 0.00 0.00 54.79 52.88 2ofw n ASP 189 Cb 0.00 0.42 -0.15 0.00 -1.35 0.00 0.00 41.12 40.04 2ofw n ASP 189 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 2ofw s SER 190 N -2.73 3.21 0.53 -1.12 0.01 -0.77 -4.77 113.70 108.06 2ofw s SER 190 Ca 0.16 -0.49 -0.11 0.00 1.31 0.00 0.00 55.95 56.83 2ofw s SER 190 Cb 0.18 -0.38 -0.05 0.00 0.21 0.00 0.00 66.02 65.98 2ofw s SER 190 CO 0.65 0.30 0.92 -1.61 0.41 0.00 0.00 173.24 173.91 2ofw s GLU 191 N -0.89 3.69 -0.15 12.44 0.41 -1.26 0.17 118.70 133.11 2ofw s GLU 191 Ca 0.11 0.61 0.00 0.00 -0.41 0.00 0.00 54.97 55.29 2ofw s GLU 191 Cb -0.10 -2.21 -0.00 0.00 -1.78 0.00 0.00 34.13 30.03 2ofw s GLU 191 CO 0.01 -0.33 -0.16 -0.47 -0.49 0.00 0.00 175.26 173.82 2ofw s TYR 192 N -2.82 2.77 -0.56 1.61 5.04 -1.26 -4.70 117.35 117.42 2ofw s TYR 192 Ca 0.53 -1.04 -0.18 0.00 -2.44 0.00 0.00 57.07 53.94 2ofw s TYR 192 Cb -0.10 -1.88 0.10 0.00 0.35 0.00 0.00 41.96 40.43 2ofw s TYR 192 CO 0.43 -0.47 0.61 -1.21 -1.34 0.00 0.00 175.55 173.58 2ofw s GLU 193 N 0.78 3.03 0.48 4.97 2.02 0.98 -5.06 118.70 125.91 2ofw s GLU 193 Ca -0.06 -1.39 -0.23 0.00 0.02 0.00 0.00 54.97 53.30 2ofw s GLU 193 Cb -0.15 -4.25 -0.07 0.00 0.10 0.00 0.00 34.13 29.76 2ofw s GLU 193 CO 0.00 -1.41 1.32 0.15 0.02 0.00 0.00 175.26 175.35 2ofw s LYS 194 N 2.28 3.52 0.45 1.61 1.02 -1.26 -4.41 119.74 122.94 2ofw s LYS 194 Ca 0.09 2.16 -0.25 0.00 0.02 0.00 0.00 55.97 57.98 2ofw s LYS 194 Cb -0.25 -2.45 -0.08 0.00 -0.52 0.00 0.00 37.83 34.52 2ofw s LYS 194 CO 0.06 -0.86 1.44 -2.14 -0.92 0.00 0.00 175.35 172.93 2ofw s PRO 195 N -2.65 3.71 -0.15 -1.68 0.02 -1.26 -4.96 135.00 128.02 2ofw s PRO 195 Ca 0.65 2.45 -0.12 0.00 0.02 0.00 0.00 61.00 64.00 2ofw s PRO 195 Cb -0.38 -2.68 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 2ofw s PRO 195 CO 0.47 -0.81 0.06 0.93 -0.33 0.00 0.00 177.00 177.32 2ofw h GLU 196 N 2.36 0.00 -2.17 5.54 5.08 -2.01 -3.42 114.58 119.96 2ofw h GLU 196 Ca -0.51 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.25 2ofw h GLU 196 Cb 1.26 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.10 2ofw h GLU 196 CO 0.61 0.35 -0.57 0.00 -1.00 0.00 0.00 179.01 178.40 2ofw n ALA 197 N -3.28 4.82 -1.75 3.43 0.00 -1.26 -5.09 120.51 117.37 2ofw n ALA 197 Ca -0.12 -4.64 -0.34 0.00 0.00 0.00 0.00 53.44 48.34 2ofw n ALA 197 Cb 0.33 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2ofw n ALA 197 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ofw s PRO 198 N -3.53 3.61 0.49 0.00 0.04 -1.26 -4.94 135.00 129.41 2ofw s PRO 198 Ca 0.48 1.34 0.19 0.00 0.04 0.00 0.00 61.00 63.05 2ofw s PRO 198 Cb 0.30 -2.07 1.22 0.00 0.04 0.00 0.00 34.50 33.99 2ofw s PRO 198 CO -0.15 -0.59 2.06 0.93 0.04 0.00 0.00 177.00 179.29 2ofw h GLU 199 N 1.18 0.00 -2.77 4.56 3.07 -1.78 -3.44 114.58 115.40 2ofw h GLU 199 Ca -0.49 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.26 2ofw h GLU 199 Cb 1.22 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 28.91 2ofw h GLU 199 CO 0.58 0.13 -0.22 -1.17 -1.40 0.00 0.00 179.01 176.93 2ofw s LEU 200 N -8.31 0.47 -0.21 1.33 2.96 -1.10 -5.03 118.68 108.78 2ofw s LEU 200 Ca -0.04 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 2ofw s LEU 200 Cb 0.15 1.44 0.02 0.00 0.50 0.00 0.00 46.19 48.31 2ofw s LEU 200 CO 0.65 -0.24 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.62 2ofw s VAL 201 N -0.24 2.45 -0.41 1.68 1.01 -1.26 -1.56 120.40 122.07 2ofw s VAL 201 Ca -0.04 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 2ofw s VAL 201 Cb -0.03 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.20 2ofw s VAL 201 CO 0.02 0.35 0.36 -0.76 0.00 0.00 0.00 175.10 175.07 2ofw s LEU 202 N 1.29 4.92 -0.60 3.92 1.43 0.42 -4.98 118.68 125.08 2ofw s LEU 202 Ca 0.02 -0.73 -0.22 0.00 -1.03 0.00 0.00 54.13 52.17 2ofw s LEU 202 Cb -0.15 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 43.87 2ofw s LEU 202 CO -0.08 -0.48 0.89 -0.54 0.23 0.00 0.00 176.35 176.36 2ofw s LYS 203 N 1.89 3.17 0.01 1.70 -0.14 -1.26 -0.33 119.74 124.79 2ofw s LYS 203 Ca 0.08 -0.72 0.25 0.00 -1.36 0.00 0.00 55.97 54.22 2ofw s LYS 203 Cb -0.18 -4.16 0.41 0.00 -1.68 0.00 0.00 37.83 32.22 2ofw s LYS 203 CO 0.12 -1.62 1.35 0.25 -0.76 0.00 0.00 175.35 174.68 2ofw n THR 204 N 5.93 0.03 0.30 2.17 -2.24 -1.10 -1.90 114.28 117.47 2ofw n THR 204 Ca -0.03 -0.03 0.17 0.00 -2.27 0.00 0.00 64.05 61.89 2ofw n THR 204 Cb 0.46 0.28 0.79 0.00 -2.10 0.00 0.00 70.33 69.76 2ofw n THR 204 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2ofw h ASP 205 N 0.00 0.00 0.00 3.42 2.03 -1.90 -3.35 116.42 116.62 2ofw h ASP 205 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2ofw h ASP 205 Cb 0.53 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 2ofw h ASP 205 CO 0.00 0.00 -0.08 -1.54 -1.03 0.00 0.00 179.24 176.59 2ofw n SER 206 N -2.77 0.38 -4.85 4.15 3.41 -1.24 -5.09 113.62 107.61 2ofw n SER 206 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 2ofw n SER 206 Cb 0.17 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.12 2ofw n SER 206 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ofw s ASP 208 N -1.04 0.34 -0.05 0.00 -0.00 -1.26 -4.63 116.67 110.03 2ofw s ASP 208 Ca 0.21 1.17 -0.25 0.00 -0.00 0.00 0.00 52.55 53.67 2ofw s ASP 208 Cb -0.15 -1.76 -0.22 0.00 -0.00 0.00 0.00 42.92 40.78 2ofw s ASP 208 CO 0.11 -4.54 1.07 0.58 -0.00 0.00 0.00 175.17 172.38 2ofw h VAL 209 N -2.86 1.54 0.00 -1.27 2.07 -1.99 -2.28 116.25 111.46 2ofw h VAL 209 Ca -0.54 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.18 2ofw h VAL 209 Cb 1.34 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 2ofw h VAL 209 CO 0.43 0.47 -0.21 0.78 0.02 0.00 0.00 177.57 179.06 2ofw h ASN 210 N -0.55 0.00 0.02 0.57 2.35 -1.99 -1.54 115.58 114.44 2ofw h ASN 210 Ca -0.01 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.53 2ofw h ASN 210 Cb 0.84 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2ofw h ASN 210 CO 0.03 0.21 -0.75 0.44 -1.65 0.00 0.00 177.43 175.71 2ofw h ASP 211 N 0.00 0.74 -0.37 5.81 3.32 -1.94 -1.99 116.42 122.00 2ofw h ASP 211 Ca -0.00 -0.48 -0.03 0.00 0.02 0.00 0.00 57.03 56.53 2ofw h ASP 211 Cb 0.44 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 2ofw h ASP 211 CO 0.03 1.26 0.10 0.00 -1.72 0.00 0.00 179.24 178.91 2ofw h VAL 213 N 0.45 1.24 -0.05 0.00 2.07 -1.30 -2.51 116.25 116.14 2ofw h VAL 213 Ca 0.12 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.04 2ofw h VAL 213 Cb 0.28 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2ofw h VAL 213 CO -0.00 0.24 -0.47 -0.61 0.02 0.00 0.00 177.57 176.76 2ofw h GLN 214 N 1.22 0.12 -0.22 1.57 5.75 -1.23 -1.77 115.11 120.55 2ofw h GLN 214 Ca 0.32 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.74 2ofw h GLN 214 Cb -0.08 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 2ofw h GLN 214 CO -0.06 0.56 0.07 1.96 -2.65 0.00 0.00 178.83 178.71 2ofw h GLN 215 N 0.10 0.34 -0.71 1.69 4.20 -0.98 -1.86 115.11 117.87 2ofw h GLN 215 Ca 0.00 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2ofw h GLN 215 Cb 0.86 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 2ofw h GLN 215 CO 0.07 0.43 0.43 0.28 -0.67 0.00 0.00 178.83 179.36 2ofw h VAL 216 N 0.18 1.20 -0.79 -0.54 2.07 -1.30 -2.40 116.25 114.68 2ofw h VAL 216 Ca 0.07 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2ofw h VAL 216 Cb 0.23 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2ofw h VAL 216 CO -0.00 0.21 0.51 0.58 0.02 0.00 0.00 177.57 178.89 2ofw h VAL 217 N 0.97 1.21 -0.35 2.57 2.07 -1.21 -0.34 116.25 121.17 2ofw h VAL 217 Ca 0.26 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2ofw h VAL 217 Cb -0.03 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 2ofw h VAL 217 CO -0.05 0.20 0.19 -0.33 0.02 0.00 0.00 177.57 177.61 2ofw h GLU 218 N 1.08 0.38 -0.53 1.57 4.39 -1.22 0.81 114.58 121.07 2ofw h GLU 218 Ca 0.29 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 60.05 2ofw h GLU 218 Cb -0.10 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.39 2ofw h GLU 218 CO -0.06 0.25 0.17 1.25 -1.16 0.00 0.00 179.01 179.46 2ofw h LEU 219 N 0.39 0.14 -0.63 1.33 5.85 -0.89 -0.89 115.31 120.60 2ofw h LEU 219 Ca 0.14 0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.78 2ofw h LEU 219 Cb 0.02 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2ofw h LEU 219 CO -0.08 0.10 -0.64 -0.07 -0.34 0.00 0.00 178.44 177.41 2ofw h LEU 220 N 0.33 0.21 -0.24 2.25 3.38 -0.54 -2.80 115.31 117.89 2ofw h LEU 220 Ca 0.26 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2ofw h LEU 220 Cb 0.31 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 2ofw h LEU 220 CO -0.29 0.79 -0.07 0.78 0.09 0.00 0.00 178.44 179.74 2ofw h ASN 221 N 0.13 -0.25 0.18 -0.43 -0.26 0.12 -2.56 115.58 112.51 2ofw h ASN 221 Ca -0.01 0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 2ofw h ASN 221 Cb 1.15 0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 38.57 2ofw h ASN 221 CO 0.10 -0.09 -0.15 -0.33 -1.06 0.00 0.00 177.43 175.90 2ofw h GLU 222 N -0.01 0.00 -0.64 0.81 5.08 -1.03 -3.02 114.58 115.77 2ofw h GLU 222 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2ofw h GLU 222 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ofw h GLU 222 CO -0.26 0.15 0.00 0.54 -1.00 0.00 0.00 179.01 178.44 2ofw n ARG 223 N -4.23 3.10 -1.39 2.33 5.12 -1.02 -4.94 116.66 115.64 2ofw n ARG 223 Ca -0.02 -2.42 -0.13 0.00 -1.93 0.00 0.00 57.85 53.34 2ofw n ARG 223 Cb 0.22 -1.72 -0.06 0.00 -1.16 0.00 0.00 32.46 29.75 2ofw n ARG 223 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2ofw n ASP 224 N 1.08 -4.94 -0.01 0.55 9.92 -1.14 -4.86 116.55 117.16 2ofw n ASP 224 Ca 0.22 0.33 -0.16 0.00 -0.53 0.00 0.00 54.79 54.65 2ofw n ASP 224 Cb 0.71 -3.60 -0.14 0.00 -0.64 0.00 0.00 41.12 37.45 2ofw n ASP 224 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ofw n ILE 225 N -2.50 1.71 -4.72 0.53 2.08 -1.00 -4.85 119.36 110.62 2ofw n ILE 225 Ca -0.13 -0.72 -0.33 0.00 0.56 0.00 0.00 62.75 62.13 2ofw n ILE 225 Cb 0.49 -1.43 -0.15 0.00 -0.75 0.00 0.00 39.64 37.80 2ofw n ILE 225 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2ofw s LEU 226 N -6.63 2.55 0.00 1.39 1.02 -1.01 -4.95 118.68 111.06 2ofw s LEU 226 Ca -0.14 -0.41 0.01 0.00 0.02 0.00 0.00 54.13 53.61 2ofw s LEU 226 Cb 0.07 -1.57 0.07 0.00 0.02 0.00 0.00 46.19 44.78 2ofw s LEU 226 CO 0.80 0.13 0.56 -2.65 0.02 0.00 0.00 176.35 175.21