#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wia s GLN 2 N 0.00 2.98 0.17 0.03 -1.52 -0.84 -4.37 119.66 116.11 2wia s GLN 2 Ca 0.00 1.15 -0.16 0.00 -1.95 0.00 0.00 55.36 54.40 2wia s GLN 2 Cb 0.00 -1.99 -0.07 0.00 -0.22 0.00 0.00 33.01 30.73 2wia s GLN 2 CO 0.00 -1.08 0.61 -1.59 -0.25 0.00 0.00 175.29 172.98 2wia s LYS 3 N -4.48 4.07 -0.04 2.91 -2.85 -1.26 -1.11 119.74 116.97 2wia s LYS 3 Ca 0.62 0.62 -0.01 0.00 -1.00 0.00 0.00 55.97 56.20 2wia s LYS 3 Cb -0.16 -2.91 0.03 0.00 -2.06 0.00 0.00 37.83 32.73 2wia s LYS 3 CO 0.46 0.45 0.09 -1.17 0.10 0.00 0.00 175.35 175.27 2wia s LEU 4 N -1.96 0.84 -0.24 2.77 2.96 -1.03 -4.93 118.68 117.08 2wia s LEU 4 Ca 0.39 0.16 -0.15 0.00 -0.22 0.00 0.00 54.13 54.32 2wia s LEU 4 Cb -0.16 0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 2wia s LEU 4 CO 0.20 -0.15 0.36 -0.89 -1.32 0.00 0.00 176.35 174.55 2wia s THR 5 N 1.21 5.20 -0.11 3.68 2.01 -1.26 0.70 115.64 127.06 2wia s THR 5 Ca -0.08 0.58 0.02 0.00 0.31 0.00 0.00 61.69 62.52 2wia s THR 5 Cb -0.12 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2wia s THR 5 CO -0.04 0.21 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.21 2wia s VAL 6 N 1.72 2.48 0.10 3.82 1.01 0.03 -0.96 120.40 128.60 2wia s VAL 6 Ca 0.16 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 2wia s VAL 6 Cb -0.15 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.18 2wia s VAL 6 CO 0.09 0.54 0.45 -0.83 0.00 0.00 0.00 175.10 175.35 2wia s GLY 7 N 0.34 2.38 -0.28 4.51 0.00 -0.00 -1.41 107.32 112.86 2wia s GLY 7 Ca -0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 44.72 44.27 2wia s GLY 7 CO 0.08 -0.05 -0.04 -2.27 0.00 0.00 0.00 173.10 170.81 2wia s LEU 8 N -1.93 3.66 -0.04 0.66 2.96 -0.36 0.06 118.68 123.70 2wia s LEU 8 Ca 0.35 -1.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.04 2wia s LEU 8 Cb -0.14 -1.66 0.00 0.00 0.50 0.00 0.00 46.19 44.89 2wia s LEU 8 CO 0.18 -0.22 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.35 2wia s ILE 9 N 1.22 1.10 0.21 6.68 1.10 -0.51 -1.01 121.20 129.99 2wia s ILE 9 Ca -0.06 -0.53 -0.14 0.00 -0.51 0.00 0.00 60.65 59.42 2wia s ILE 9 Cb -0.19 -0.96 0.05 0.00 0.15 0.00 0.00 42.46 41.51 2wia s ILE 9 CO -0.03 0.33 0.68 0.61 -2.11 0.00 0.00 174.94 174.42 2wia n GLY 10 N 3.25 0.99 3.75 1.50 0.00 -1.26 -0.65 105.19 112.77 2wia n GLY 10 Ca -0.18 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 2wia n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wia s ASN 11 N -2.68 4.75 0.66 1.61 -0.87 -1.22 -0.67 114.94 116.52 2wia s ASN 11 Ca 0.15 2.08 -0.17 0.00 -1.57 0.00 0.00 52.86 53.34 2wia s ASN 11 Cb -0.03 -2.56 -0.02 0.00 -0.02 0.00 0.00 41.25 38.62 2wia s ASN 11 CO 0.06 -1.87 1.05 -2.65 -2.57 0.00 0.00 177.10 171.12 2wia n PRO 12 N -2.64 0.81 -4.00 -0.60 -0.02 -1.26 -3.68 135.00 123.60 2wia n PRO 12 Ca 0.11 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 2wia n PRO 12 Cb 0.52 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2wia n PRO 12 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wia n ASN 13 N -1.39 -4.11 -0.08 2.55 3.02 -1.26 -4.84 115.26 109.16 2wia n ASN 13 Ca 0.14 -0.84 0.04 0.00 -0.03 0.00 0.00 54.58 53.88 2wia n ASN 13 Cb 0.48 -3.32 0.05 0.00 -0.61 0.00 0.00 39.78 36.39 2wia n ASN 13 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wia n SER 14 N -2.70 1.68 0.00 6.41 7.64 -1.24 -4.96 113.62 120.44 2wia n SER 14 Ca 0.06 -2.27 0.00 0.00 1.01 0.00 0.00 58.87 57.67 2wia n SER 14 Cb 0.51 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 2wia n SER 14 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wia n GLY 15 N -0.72 0.64 0.15 0.23 0.00 -1.26 -4.67 105.19 99.56 2wia n GLY 15 Ca 0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2wia n GLY 15 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wia h LYS 16 N 0.00 0.45 -0.05 1.61 3.64 -1.93 -2.85 116.57 117.44 2wia h LYS 16 Ca 0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 2wia h LYS 16 Cb 0.05 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2wia h LYS 16 CO 0.00 0.34 -0.32 1.15 -2.27 0.00 0.00 179.45 178.36 2wia h THR 17 N 0.42 1.25 -0.11 1.00 2.02 -1.97 -0.99 112.91 114.53 2wia h THR 17 Ca 0.12 -1.18 -0.16 0.00 0.77 0.00 0.00 66.41 65.96 2wia h THR 17 Cb 0.01 1.56 0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2wia h THR 17 CO -0.02 0.35 -0.55 0.74 0.37 0.00 0.00 175.52 176.41 2wia h THR 18 N 0.09 1.35 -0.45 3.16 2.02 -1.94 -0.00 112.91 117.14 2wia h THR 18 Ca 0.01 -1.85 -0.07 0.00 0.77 0.00 0.00 66.41 65.27 2wia h THR 18 Cb 0.61 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 2wia h THR 18 CO 0.04 0.56 0.02 0.25 0.37 0.00 0.00 175.52 176.77 2wia h LEU 19 N 0.18 0.76 -0.30 2.58 5.85 -1.37 0.18 115.31 123.19 2wia h LEU 19 Ca -0.04 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.46 2wia h LEU 19 Cb 1.19 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 2wia h LEU 19 CO 0.11 0.87 -0.23 0.15 -0.34 0.00 0.00 178.44 179.00 2wia h PHE 20 N 0.63 -0.60 -0.31 1.25 3.57 -0.99 0.18 116.94 120.68 2wia h PHE 20 Ca 0.13 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2wia h PHE 20 Cb 0.47 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2wia h PHE 20 CO 0.04 -0.31 0.13 -0.91 -2.23 0.00 0.00 178.31 175.03 2wia h ASN 21 N -0.20 0.38 0.24 0.41 2.35 -0.91 -2.19 115.58 115.64 2wia h ASN 21 Ca 0.16 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 2wia h ASN 21 Cb 0.45 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2wia h ASN 21 CO -0.42 0.34 -0.11 1.56 -1.65 0.00 0.00 177.43 177.14 2wia h GLN 22 N 0.42 -0.31 -0.32 0.81 4.20 0.14 -0.89 115.11 119.17 2wia h GLN 22 Ca 0.11 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.91 2wia h GLN 22 Cb 0.08 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.86 2wia h GLN 22 CO -0.01 0.05 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.01 2wia h LEU 23 N -0.77 -0.42 0.00 1.46 3.38 -0.96 -3.32 115.31 114.68 2wia h LEU 23 Ca -0.03 0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2wia h LEU 23 Cb 0.50 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2wia h LEU 23 CO 0.05 -0.15 -1.08 0.71 0.09 0.00 0.00 178.44 178.06 2wia h THR 24 N -0.06 0.34 0.00 0.22 1.35 -1.47 -3.42 112.91 109.87 2wia h THR 24 Ca 0.16 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2wia h THR 24 Cb 0.30 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2wia h THR 24 CO -0.37 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 175.71 2wia n GLY 25 N 1.28 3.88 0.05 5.82 0.00 -0.34 -1.84 105.19 114.04 2wia n GLY 25 Ca -0.04 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.22 2wia n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wia n ALA 26 N 12.17 3.17 -1.43 4.61 0.00 -1.26 -4.48 120.51 133.29 2wia n ALA 26 Ca 0.00 -0.34 -0.34 0.00 0.00 0.00 0.00 53.44 52.76 2wia n ALA 26 Cb 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 2wia n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wia n ARG 27 N -2.05 3.57 -4.30 0.00 1.74 -0.77 -4.85 116.66 110.00 2wia n ARG 27 Ca 0.02 -2.32 -0.22 0.00 -0.77 0.00 0.00 57.85 54.57 2wia n ARG 27 Cb 0.44 -2.59 -0.12 0.00 -1.02 0.00 0.00 32.46 29.18 2wia n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2wia s GLN 28 N 0.95 1.17 0.05 5.56 -2.07 -1.26 -0.33 119.66 123.73 2wia s GLN 28 Ca 0.65 -1.29 0.03 0.00 -1.82 0.00 0.00 55.36 52.94 2wia s GLN 28 Cb 0.22 -1.26 -0.03 0.00 -1.09 0.00 0.00 33.01 30.85 2wia s GLN 28 CO -0.07 0.27 -0.10 -0.98 -1.32 0.00 0.00 175.29 173.09 2wia s ARG 29 N -2.46 0.64 -0.11 9.60 1.70 0.22 -4.93 118.95 123.60 2wia s ARG 29 Ca 0.11 -0.85 -0.15 0.00 -0.47 0.00 0.00 55.73 54.37 2wia s ARG 29 Cb -0.07 -0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 33.78 2wia s ARG 29 CO 0.05 0.09 0.36 0.08 -1.08 0.00 0.00 175.30 174.81 2wia s VAL 30 N -1.42 5.22 0.00 4.99 1.01 -1.26 -0.37 120.40 128.57 2wia s VAL 30 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2wia s VAL 30 Cb -0.09 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2wia s VAL 30 CO 0.01 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2wia n GLY 31 N 2.97 5.11 3.45 4.51 0.00 0.36 -4.99 105.19 116.60 2wia n GLY 31 Ca -0.11 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.90 2wia n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wia s ASN 32 N 0.02 3.59 0.04 1.61 0.01 -1.26 -0.17 114.94 118.78 2wia s ASN 32 Ca 0.00 -0.75 -0.30 0.00 -0.71 0.00 0.00 52.86 51.10 2wia s ASN 32 Cb 0.00 -0.35 -0.04 0.00 0.41 0.00 0.00 41.25 41.26 2wia s ASN 32 CO 0.00 0.14 0.99 0.26 -1.51 0.00 0.00 177.10 176.98 2wia s TRP 33 N -1.44 3.69 -0.16 2.20 0.52 -0.37 -4.66 118.94 118.72 2wia s TRP 33 Ca 0.19 1.71 -0.41 0.00 0.02 0.00 0.00 56.10 57.61 2wia s TRP 33 Cb -0.09 -3.12 -0.18 0.00 -1.15 0.00 0.00 33.47 28.93 2wia s TRP 33 CO 0.10 -0.03 1.43 0.00 0.02 0.00 0.00 176.95 178.47 2wia n ALA 34 N 3.54 -1.56 0.00 0.98 0.00 -1.26 -0.87 120.51 121.34 2wia n ALA 34 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2wia n ALA 34 Cb 0.50 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2wia n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wia n GLY 35 N 3.01 2.16 3.62 0.00 0.00 -1.26 -5.00 105.19 107.72 2wia n GLY 35 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 2wia n GLY 35 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wia s VAL 36 N -2.51 0.79 -0.23 1.61 -7.23 -0.05 -5.05 120.40 107.73 2wia s VAL 36 Ca 0.00 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 58.39 2wia s VAL 36 Cb 0.00 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 2wia s VAL 36 CO 0.00 0.00 1.03 0.35 -0.31 0.00 0.00 175.10 176.17 2wia n THR 37 N -1.07 0.65 -2.00 5.32 -2.24 -1.26 -4.42 114.28 109.26 2wia n THR 37 Ca -0.12 -0.56 -0.39 0.00 -2.27 0.00 0.00 64.05 60.71 2wia n THR 37 Cb 0.66 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 2wia n THR 37 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wia s VAL 38 N -3.34 2.51 -0.02 2.28 1.01 -1.26 -4.79 120.40 116.78 2wia s VAL 38 Ca -0.01 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.25 2wia s VAL 38 Cb 0.09 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 2wia s VAL 38 CO 0.79 0.05 0.44 -0.70 0.00 0.00 0.00 175.10 175.69 2wia s GLU 39 N -2.37 4.05 -0.31 2.72 2.12 -1.26 -1.24 118.70 122.41 2wia s GLU 39 Ca 0.59 0.46 -0.01 0.00 0.36 0.00 0.00 54.97 56.37 2wia s GLU 39 Cb -0.39 -3.27 0.06 0.00 0.26 0.00 0.00 34.13 30.79 2wia s GLU 39 CO 0.49 0.57 0.01 0.50 -0.54 0.00 0.00 175.26 176.29 2wia s ARG 40 N -0.72 2.32 0.11 4.30 3.52 0.76 -4.78 118.95 124.46 2wia s ARG 40 Ca 0.25 -1.36 -0.30 0.00 -0.13 0.00 0.00 55.73 54.18 2wia s ARG 40 Cb -0.17 -3.19 -0.06 0.00 -1.56 0.00 0.00 34.95 29.97 2wia s ARG 40 CO 0.13 -0.68 0.99 0.15 -0.81 0.00 0.00 175.30 175.09 2wia s LYS 41 N 1.21 4.67 -0.01 5.12 1.02 -1.26 -0.49 119.74 129.99 2wia s LYS 41 Ca -0.03 1.50 0.05 0.00 0.02 0.00 0.00 55.97 57.51 2wia s LYS 41 Cb -0.20 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 2wia s LYS 41 CO -0.02 0.16 -0.17 -2.00 -0.92 0.00 0.00 175.35 172.40 2wia s GLU 42 N 0.04 1.37 0.29 1.68 2.12 0.50 -1.59 118.70 123.11 2wia s GLU 42 Ca 0.48 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2wia s GLU 42 Cb -0.24 -1.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.81 2wia s GLU 42 CO 0.30 0.36 0.31 0.20 -0.54 0.00 0.00 175.26 175.89 2wia s GLY 43 N -0.38 1.66 0.07 -1.50 0.00 -0.34 0.69 107.32 107.50 2wia s GLY 43 Ca 0.06 -1.69 0.09 0.00 0.00 0.00 0.00 44.72 43.18 2wia s GLY 43 CO -0.01 -1.23 -0.24 -0.42 0.00 0.00 0.00 173.10 171.20 2wia s ILE 44 N -3.60 2.00 0.32 0.90 1.09 0.55 -0.55 121.20 121.90 2wia s ILE 44 Ca 0.35 -1.45 -0.10 0.00 -1.10 0.00 0.00 60.65 58.36 2wia s ILE 44 Cb 0.03 -1.74 0.01 0.00 -1.06 0.00 0.00 42.46 39.70 2wia s ILE 44 CO 0.19 0.21 0.57 0.72 -0.10 0.00 0.00 174.94 176.53 2wia s PHE 45 N -0.90 0.54 0.03 3.97 -0.71 -1.15 -4.44 117.98 115.31 2wia s PHE 45 Ca 0.11 -0.94 0.06 0.00 -1.04 0.00 0.00 56.93 55.12 2wia s PHE 45 Cb -0.10 0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 41.96 2wia s PHE 45 CO 0.03 -1.20 -0.17 0.00 -1.34 0.00 0.00 175.22 172.54 2wia s ALA 46 N -3.23 1.43 0.28 1.99 0.00 -1.26 -0.32 121.76 120.65 2wia s ALA 46 Ca 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.32 2wia s ALA 46 Cb -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.82 2wia s ALA 46 CO 0.14 0.31 0.01 0.25 0.00 0.00 0.00 175.76 176.47 2wia n THR 47 N 2.09 0.00 -0.18 0.00 -2.24 0.20 -4.94 114.28 109.20 2wia n THR 47 Ca -0.17 -1.33 -0.02 0.00 -2.27 0.00 0.00 64.05 60.27 2wia n THR 47 Cb 0.54 0.25 0.09 0.00 -2.10 0.00 0.00 70.33 69.10 2wia n THR 47 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2wia h THR 48 N 1.12 0.81 0.00 4.28 2.02 -1.99 -3.34 112.91 115.81 2wia h THR 48 Ca -0.23 -0.14 -0.26 0.00 0.77 0.00 0.00 66.41 66.55 2wia h THR 48 Cb 0.71 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 2wia h THR 48 CO 0.39 0.07 -2.19 0.47 0.37 0.00 0.00 175.52 174.63 2wia n ASP 49 N -4.99 0.10 -4.31 4.18 8.00 -1.26 -4.98 116.55 113.29 2wia n ASP 49 Ca 0.07 0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.45 2wia n ASP 49 Cb 0.23 1.14 -0.10 0.00 -0.02 0.00 0.00 41.12 42.38 2wia n ASP 49 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2wia s HIS 50 N -2.79 1.54 -0.31 1.24 3.76 -1.25 -1.98 115.29 115.51 2wia s HIS 50 Ca -0.09 -0.70 -0.06 0.00 -0.15 0.00 0.00 55.06 54.06 2wia s HIS 50 Cb 0.08 -0.78 0.02 0.00 1.11 0.00 0.00 32.58 33.01 2wia s HIS 50 CO 0.85 0.19 0.08 1.14 -0.85 0.00 0.00 174.74 176.15 2wia s GLN 51 N -3.72 2.93 -0.14 1.40 0.00 -0.27 0.61 119.66 120.47 2wia s GLN 51 Ca 0.22 -0.96 -0.09 0.00 -0.00 0.00 0.00 55.36 54.53 2wia s GLN 51 Cb 0.02 -3.37 -0.04 0.00 0.00 0.00 0.00 33.01 29.61 2wia s GLN 51 CO 0.05 -0.51 0.16 0.08 0.00 0.00 0.00 175.29 175.08 2wia s VAL 52 N 1.46 5.44 -0.31 3.63 1.01 0.56 -2.48 120.40 129.70 2wia s VAL 52 Ca 0.01 0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 2wia s VAL 52 Cb -0.18 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2wia s VAL 52 CO 0.02 0.55 0.14 -0.89 0.00 0.00 0.00 175.10 174.92 2wia s THR 53 N -0.53 4.41 -0.25 3.92 2.01 0.22 -2.95 115.64 122.46 2wia s THR 53 Ca 0.14 -0.56 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 2wia s THR 53 Cb -0.12 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 2wia s THR 53 CO 0.03 0.03 0.12 -0.22 -0.69 0.00 0.00 174.62 173.88 2wia s LEU 54 N 1.57 3.71 -0.24 4.42 2.96 0.29 -0.79 118.68 130.60 2wia s LEU 54 Ca 0.04 -0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.76 2wia s LEU 54 Cb -0.17 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2wia s LEU 54 CO 0.05 -0.01 0.14 -0.69 -1.32 0.00 0.00 176.35 174.52 2wia s VAL 55 N 1.50 5.15 -0.23 1.68 1.01 -0.50 -1.20 120.40 127.80 2wia s VAL 55 Ca 0.06 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 2wia s VAL 55 Cb -0.15 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2wia s VAL 55 CO 0.06 0.34 0.83 -0.62 0.00 0.00 0.00 175.10 175.71 2wia s ASP 56 N 1.16 6.85 0.16 3.32 2.15 -0.62 -1.22 116.67 128.47 2wia s ASP 56 Ca 0.07 1.06 -0.12 0.00 0.43 0.00 0.00 52.55 53.98 2wia s ASP 56 Cb -0.14 -2.44 -0.07 0.00 -0.30 0.00 0.00 42.92 39.97 2wia s ASP 56 CO 0.05 -0.49 0.52 -0.76 -0.17 0.00 0.00 175.17 174.32 2wia s LEU 57 N 2.71 4.29 0.54 -1.34 1.43 -0.18 -4.42 118.68 121.71 2wia s LEU 57 Ca 0.35 0.99 -0.21 0.00 -1.03 0.00 0.00 54.13 54.23 2wia s LEU 57 Cb -0.15 -3.34 -0.06 0.00 0.03 0.00 0.00 46.19 42.67 2wia s LEU 57 CO 0.08 0.07 1.24 -2.65 0.23 0.00 0.00 176.35 175.32 2wia n PRO 58 N 0.56 1.51 -1.69 1.29 -0.02 -1.26 -4.79 135.00 130.59 2wia n PRO 58 Ca -0.04 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 2wia n PRO 58 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 2wia n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wia n GLY 59 N 0.91 0.64 3.62 -1.23 0.00 -1.26 -4.75 105.19 103.11 2wia n GLY 59 Ca 0.11 0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.41 2wia n GLY 59 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wia s THR 60 N -0.85 -0.00 -0.13 2.61 -1.32 0.16 -4.63 115.64 111.47 2wia s THR 60 Ca 0.58 0.01 0.21 0.00 -1.21 0.00 0.00 61.69 61.28 2wia s THR 60 Cb -0.58 -0.98 0.21 0.00 -1.51 0.00 0.00 72.50 69.64 2wia s THR 60 CO 0.59 0.00 1.64 1.88 -2.21 0.00 0.00 174.62 176.52 2wia h TYR 61 N 6.96 0.00 -1.74 9.09 0.05 -1.94 -3.24 116.97 126.15 2wia h TYR 61 Ca -0.30 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.50 2wia h TYR 61 Cb 1.23 0.00 -0.23 0.00 1.01 0.00 0.00 36.73 38.74 2wia h TYR 61 CO 0.07 0.25 0.37 0.45 -1.05 0.00 0.00 178.16 178.25 2wia s SER 62 N -6.26 -0.52 0.57 3.88 0.15 -1.26 -3.82 113.70 106.43 2wia s SER 62 Ca 0.04 0.79 0.35 0.00 0.70 0.00 0.00 55.95 57.82 2wia s SER 62 Cb 0.08 0.73 1.56 0.00 -1.71 0.00 0.00 66.02 66.67 2wia s SER 62 CO 0.68 -0.33 2.06 -0.07 1.20 0.00 0.00 173.24 176.78 2wia h LEU 63 N 3.56 0.00 -8.14 3.45 3.38 -1.91 -3.46 115.31 112.18 2wia h LEU 63 Ca -0.25 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.05 2wia h LEU 63 Cb 1.16 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.59 2wia h LEU 63 CO 0.22 0.03 -0.78 0.42 0.09 0.00 0.00 178.44 178.42 2wia s THR 64 N -3.81 2.65 0.00 0.22 -4.23 -1.26 -4.68 115.64 104.54 2wia s THR 64 Ca -0.00 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2wia s THR 64 Cb 0.10 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.67 2wia s THR 64 CO 0.53 0.32 0.00 0.35 -0.54 0.00 0.00 174.62 175.28 2wia n THR 70 N 4.66 0.00 -1.74 3.99 -2.24 -1.26 -5.12 114.28 112.56 2wia n THR 70 Ca -0.18 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 2wia n THR 70 Cb 0.48 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.76 2wia n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2wia s SER 71 N -4.00 5.13 0.11 3.42 0.15 -1.26 -4.83 113.70 112.43 2wia s SER 71 Ca 0.00 1.96 -0.19 0.00 0.70 0.00 0.00 55.95 58.42 2wia s SER 71 Cb 0.00 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.70 2wia s SER 71 CO 0.00 -1.61 1.71 0.25 1.20 0.00 0.00 173.24 174.79 2wia h LEU 72 N -0.04 0.31 -1.21 3.45 5.85 -2.03 -1.33 115.31 120.31 2wia h LEU 72 Ca -0.46 -0.09 0.23 0.00 0.84 0.00 0.00 57.88 58.40 2wia h LEU 72 Cb 1.24 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.09 2wia h LEU 72 CO 0.54 0.31 0.63 0.44 -0.34 0.00 0.00 178.44 180.02 2wia h ASP 73 N 0.28 0.59 0.22 1.25 3.45 -1.94 0.96 116.42 121.23 2wia h ASP 73 Ca 0.09 0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.63 2wia h ASP 73 Cb 0.07 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 2wia h ASP 73 CO -0.01 0.16 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.38 2wia h GLU 74 N 0.54 -0.28 -0.84 3.56 5.08 -1.60 -2.13 114.58 118.90 2wia h GLU 74 Ca 0.58 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 59.18 2wia h GLU 74 Cb 1.23 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 30.41 2wia h GLU 74 CO -0.34 0.02 0.17 1.96 -1.00 0.00 0.00 179.01 179.82 2wia h GLN 75 N -0.60 0.18 0.19 2.33 4.20 -0.24 -2.11 115.11 119.06 2wia h GLN 75 Ca -0.03 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2wia h GLN 75 Cb 0.44 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2wia h GLN 75 CO 0.05 0.12 -0.09 0.82 -0.67 0.00 0.00 178.83 179.05 2wia h ILE 76 N 0.18 0.88 -0.52 2.54 1.08 -0.84 -0.01 117.51 120.82 2wia h ILE 76 Ca 0.51 -0.91 0.08 0.00 -0.39 0.00 0.00 64.86 64.15 2wia h ILE 76 Cb 0.99 1.37 -0.07 0.00 -3.07 0.00 0.00 36.82 36.05 2wia h ILE 76 CO -0.66 0.19 0.15 0.00 -0.69 0.00 0.00 178.15 177.14 2wia h ALA 77 N -0.12 0.62 0.24 1.87 0.00 -0.99 -0.30 119.26 120.59 2wia h ALA 77 Ca -0.03 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2wia h ALA 77 Cb 0.51 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2wia h ALA 77 CO 0.04 -0.25 -0.32 0.00 0.00 0.00 0.00 179.25 178.72 2wia h HIS 79 N -0.62 0.34 -0.71 0.00 6.17 -0.48 0.76 115.15 120.61 2wia h HIS 79 Ca 0.00 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 2wia h HIS 79 Cb 0.59 -0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.39 2wia h HIS 79 CO -0.23 0.18 0.38 -0.92 0.71 0.00 0.00 177.93 178.05 2wia h TYR 80 N 0.38 0.97 -0.01 5.26 3.20 -1.11 -2.22 116.97 123.44 2wia h TYR 80 Ca 0.16 -0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.79 2wia h TYR 80 Cb 0.07 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.03 2wia h TYR 80 CO -0.10 0.69 -0.91 0.82 -1.64 0.00 0.00 178.16 177.02 2wia h ILE 81 N 0.97 1.41 0.00 1.81 2.04 0.07 -2.95 117.51 120.85 2wia h ILE 81 Ca 0.25 -2.44 -0.01 0.00 1.00 0.00 0.00 64.86 63.66 2wia h ILE 81 Cb 0.04 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 2wia h ILE 81 CO -0.04 0.73 -0.05 -0.07 0.00 0.00 0.00 178.15 178.71 2wia h LEU 82 N 0.22 0.00 -0.82 1.44 3.38 0.50 -3.34 115.31 116.69 2wia h LEU 82 Ca -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2wia h LEU 82 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2wia h LEU 82 CO 0.16 0.05 -0.29 0.77 0.09 0.00 0.00 178.44 179.22 2wia h SER 83 N 0.00 0.00 0.00 -0.43 4.64 -1.21 -3.47 113.55 113.07 2wia h SER 83 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wia h SER 83 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 2wia h SER 83 CO 0.01 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 2wia n GLY 84 N 0.42 0.76 0.37 -0.77 0.00 -1.25 -4.94 105.19 99.78 2wia n GLY 84 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2wia n GLY 84 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2wia h ASP 85 N 0.00 0.55 -3.11 1.61 3.58 -1.91 -3.40 116.42 113.74 2wia h ASP 85 Ca 0.00 0.03 -0.60 0.00 0.42 0.00 0.00 57.03 56.88 2wia h ASP 85 Cb 0.00 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 40.90 2wia h ASP 85 CO 0.00 0.30 -0.21 0.00 -2.88 0.00 0.00 179.24 176.45 2wia s ALA 86 N -5.57 3.64 0.15 -0.78 0.00 -1.26 -4.78 121.76 113.16 2wia s ALA 86 Ca -0.09 -0.25 0.18 0.00 0.00 0.00 0.00 51.96 51.80 2wia s ALA 86 Cb 0.21 -2.44 0.61 0.00 0.00 0.00 0.00 23.12 21.50 2wia s ALA 86 CO 0.78 0.33 1.70 -0.44 0.00 0.00 0.00 175.76 178.13 2wia h ASP 87 N 5.38 0.00 -5.07 0.00 3.32 -1.27 -3.47 116.42 115.30 2wia h ASP 87 Ca -0.48 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.53 2wia h ASP 87 Cb 1.20 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.63 2wia h ASP 87 CO 0.66 0.41 -0.02 -0.04 -1.72 0.00 0.00 179.24 178.53 2wia s MET 88 N -3.56 1.15 -0.05 3.56 -1.94 -1.10 -4.58 119.30 112.80 2wia s MET 88 Ca 0.00 -0.70 0.04 0.00 -1.71 0.00 0.00 55.69 53.32 2wia s MET 88 Cb 0.11 0.49 -0.02 0.00 2.01 0.00 0.00 34.83 37.42 2wia s MET 88 CO 0.70 -0.47 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.57 2wia s LEU 89 N -2.81 2.61 -0.35 -0.03 1.43 -0.51 -0.82 118.68 118.21 2wia s LEU 89 Ca 0.04 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.75 2wia s LEU 89 Cb 0.01 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 2wia s LEU 89 CO -0.10 0.33 0.28 -0.63 0.23 0.00 0.00 176.35 176.46 2wia s ILE 90 N -0.66 5.25 -0.40 -0.59 1.01 0.11 -2.00 121.20 123.92 2wia s ILE 90 Ca 0.10 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 2wia s ILE 90 Cb -0.11 -3.77 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2wia s ILE 90 CO 0.01 -0.07 0.48 0.21 0.00 0.00 0.00 174.94 175.57 2wia s ASN 91 N 1.72 6.24 -0.28 3.58 2.47 -0.48 -1.42 114.94 126.78 2wia s ASN 91 Ca 0.08 -0.43 -0.24 0.00 0.42 0.00 0.00 52.86 52.68 2wia s ASN 91 Cb -0.17 -2.25 -0.00 0.00 -1.45 0.00 0.00 41.25 37.38 2wia s ASN 91 CO 0.11 -0.57 0.82 -0.69 -3.72 0.00 0.00 177.10 173.04 2wia s VAL 92 N 2.31 4.79 -0.10 -5.21 1.01 0.18 0.76 120.40 124.14 2wia s VAL 92 Ca 0.15 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.53 2wia s VAL 92 Cb -0.16 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2wia s VAL 92 CO 0.14 -0.19 -0.20 -0.69 0.00 0.00 0.00 175.10 174.16 2wia s VAL 93 N 2.95 2.47 -0.37 2.92 1.01 0.20 -4.27 120.40 125.31 2wia s VAL 93 Ca 0.34 -0.88 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 2wia s VAL 93 Cb -0.14 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.28 2wia s VAL 93 CO 0.11 0.55 0.96 -0.62 0.00 0.00 0.00 175.10 176.10 2wia s ASP 94 N 0.20 6.71 0.61 3.32 -1.08 -1.26 -0.85 116.67 124.31 2wia s ASP 94 Ca -0.12 0.63 0.36 0.00 -0.52 0.00 0.00 52.55 52.90 2wia s ASP 94 Cb -0.16 -2.48 1.97 0.00 -1.46 0.00 0.00 42.92 40.79 2wia s ASP 94 CO 0.07 -0.89 2.24 0.00 0.52 0.00 0.00 175.17 177.11 2wia h ALA 95 N 8.49 1.19 0.00 3.66 0.00 -1.21 -1.95 119.26 129.44 2wia h ALA 95 Ca -0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wia h ALA 95 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2wia h ALA 95 CO 1.00 0.03 -0.51 -1.13 0.00 0.00 0.00 179.25 178.64 2wia n SER 96 N -3.39 0.57 -2.33 0.00 3.41 -1.26 -3.59 113.62 107.02 2wia n SER 96 Ca -0.02 0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 2wia n SER 96 Cb 0.13 0.12 0.05 0.00 -0.26 0.00 0.00 64.21 64.25 2wia n SER 96 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wia n ASN 97 N -1.83 2.29 -0.23 4.04 5.03 -0.99 -4.94 115.26 118.63 2wia n ASN 97 Ca 0.04 -2.54 -0.02 0.00 0.87 0.00 0.00 54.58 52.93 2wia n ASN 97 Cb 0.39 -0.42 -0.00 0.00 -1.02 0.00 0.00 39.78 38.73 2wia n ASN 97 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 2wia n LEU 98 N -0.50 -0.45 -0.16 3.41 7.94 -0.77 -1.75 117.00 124.72 2wia n LEU 98 Ca 0.16 1.03 -0.08 0.00 -1.11 0.00 0.00 56.01 56.01 2wia n LEU 98 Cb 0.88 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.63 2wia n LEU 98 CO 0.13 -0.90 0.97 -0.08 -1.11 0.00 0.00 177.39 176.39 2wia h GLU 99 N 0.00 0.66 0.00 1.96 4.81 -1.92 -1.65 114.58 118.44 2wia h GLU 99 Ca 0.17 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2wia h GLU 99 Cb 0.32 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 2wia h GLU 99 CO -0.58 0.57 -0.47 -0.09 -0.73 0.00 0.00 179.01 177.71 2wia h ARG 100 N 0.59 0.00 0.00 1.92 2.43 -1.83 -2.98 114.38 114.51 2wia h ARG 100 Ca 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 2wia h ARG 100 Cb 0.13 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2wia h ARG 100 CO -0.02 0.47 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.90 2wia h ASN 101 N 0.00 0.00 0.53 -3.80 -0.26 -0.63 -3.29 115.58 108.13 2wia h ASN 101 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2wia h ASN 101 Cb 0.86 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 2wia h ASN 101 CO 0.06 0.11 -0.43 0.18 -1.06 0.00 0.00 177.43 176.29 2wia n LEU 102 N -3.15 0.48 0.07 1.61 4.77 -0.69 -2.91 117.00 117.18 2wia n LEU 102 Ca 0.03 0.03 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 2wia n LEU 102 Cb 0.50 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 2wia n LEU 102 CO 0.34 0.12 0.01 0.22 -1.33 0.00 0.00 177.39 176.74 2wia h TYR 103 N 0.09 1.02 -0.42 -1.77 5.03 -1.64 0.20 116.97 119.48 2wia h TYR 103 Ca 0.00 -0.60 0.02 0.00 2.58 0.00 0.00 58.73 60.73 2wia h TYR 103 Cb 0.50 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.65 2wia h TYR 103 CO 0.00 1.44 0.24 1.25 -1.32 0.00 0.00 178.16 179.77 2wia h LEU 104 N 0.31 0.37 -0.46 2.82 5.85 -1.63 -2.84 115.31 119.73 2wia h LEU 104 Ca -0.16 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.64 2wia h LEU 104 Cb 1.80 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.70 2wia h LEU 104 CO 0.22 0.27 0.12 0.74 -0.34 0.00 0.00 178.44 179.44 2wia h THR 105 N 0.48 0.79 -0.91 1.05 2.02 -1.37 -2.13 112.91 112.84 2wia h THR 105 Ca 0.17 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 2wia h THR 105 Cb 0.04 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2wia h THR 105 CO -0.09 0.05 0.54 0.25 0.37 0.00 0.00 175.52 176.64 2wia h LEU 106 N 0.26 1.09 -0.28 2.58 5.85 -0.38 -1.56 115.31 122.88 2wia h LEU 106 Ca 0.22 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2wia h LEU 106 Cb 0.27 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2wia h LEU 106 CO -0.27 0.84 -0.34 1.56 -0.34 0.00 0.00 178.44 179.90 2wia h GLN 107 N 1.25 -0.21 -1.02 1.25 4.20 -1.18 0.24 115.11 119.64 2wia h GLN 107 Ca 0.33 0.01 0.25 0.00 0.06 0.00 0.00 58.65 59.30 2wia h GLN 107 Cb -0.05 0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 2wia h GLN 107 CO -0.06 -0.14 0.62 -0.07 -0.67 0.00 0.00 178.83 178.52 2wia h LEU 108 N -0.22 0.59 0.06 1.46 3.38 -1.09 -0.16 115.31 119.33 2wia h LEU 108 Ca 0.05 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2wia h LEU 108 Cb 0.34 0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.13 2wia h LEU 108 CO -0.38 0.10 -0.52 -0.07 0.09 0.00 0.00 178.44 177.66 2wia h LEU 109 N 0.51 0.36 -1.56 1.67 3.38 -0.59 -2.03 115.31 117.06 2wia h LEU 109 Ca 0.63 -0.88 0.11 0.00 0.09 0.00 0.00 57.88 57.83 2wia h LEU 109 Cb 1.33 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2wia h LEU 109 CO -0.41 1.20 0.45 -0.33 0.09 0.00 0.00 178.44 179.44 2wia h GLU 110 N -0.44 0.47 0.00 1.13 5.08 -0.09 -0.40 114.58 120.33 2wia h GLU 110 Ca -0.08 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2wia h GLU 110 Cb 1.33 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2wia h GLU 110 CO 0.10 0.31 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.10 2wia h LEU 111 N 0.48 0.00 0.00 1.33 3.38 -0.81 -3.43 115.31 116.27 2wia h LEU 111 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2wia h LEU 111 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2wia h LEU 111 CO -0.10 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.29 2wia n GLY 112 N -0.07 0.76 3.77 0.83 0.00 -0.16 -3.79 105.19 106.53 2wia n GLY 112 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2wia n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wia s ILE 113 N -2.67 2.36 0.24 -0.61 -1.09 -1.15 -4.75 121.20 113.53 2wia s ILE 113 Ca 0.00 0.34 -0.30 0.00 -2.23 0.00 0.00 60.65 58.46 2wia s ILE 113 Cb 0.00 -3.21 -0.09 0.00 -1.58 0.00 0.00 42.46 37.58 2wia s ILE 113 CO 0.00 0.06 1.30 -2.84 -1.23 0.00 0.00 174.94 172.23 2wia s PRO 114 N -2.20 4.39 0.02 2.79 0.02 -1.26 -4.77 135.00 133.98 2wia s PRO 114 Ca 0.56 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.71 2wia s PRO 114 Cb -0.42 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 30.94 2wia s PRO 114 CO 0.54 -0.21 -0.10 0.00 -0.33 0.00 0.00 177.00 176.90 2wia s VAL 116 N -0.63 0.45 -0.17 0.00 1.01 -0.85 -3.98 120.40 116.23 2wia s VAL 116 Ca -0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2wia s VAL 116 Cb -0.06 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.58 2wia s VAL 116 CO 0.00 0.08 1.01 -0.69 0.00 0.00 0.00 175.10 175.51 2wia s VAL 117 N 1.92 4.74 -0.50 2.92 1.01 -0.76 -1.38 120.40 128.35 2wia s VAL 117 Ca 0.03 2.01 -0.17 0.00 0.00 0.00 0.00 61.98 63.84 2wia s VAL 117 Cb -0.14 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 32.01 2wia s VAL 117 CO -0.06 -0.09 0.53 0.00 0.00 0.00 0.00 175.10 175.48 2wia s ALA 118 N 2.64 3.48 -0.43 5.51 0.00 0.23 -0.81 121.76 132.38 2wia s ALA 118 Ca 0.45 -2.00 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 2wia s ALA 118 Cb -0.16 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.73 2wia s ALA 118 CO 0.11 -1.93 0.79 -1.17 0.00 0.00 0.00 175.76 173.56 2wia s LEU 119 N 2.16 4.20 0.00 0.00 2.96 0.20 -0.63 118.68 127.57 2wia s LEU 119 Ca 0.09 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 2wia s LEU 119 Cb -0.23 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 43.47 2wia s LEU 119 CO 0.09 -0.87 0.00 -0.46 -1.32 0.00 0.00 176.35 173.78 2wia n ASN 120 N 6.66 1.71 -3.76 3.68 0.23 -0.03 -0.69 115.26 123.06 2wia n ASN 120 Ca 0.03 -0.49 -0.22 0.00 -0.53 0.00 0.00 54.58 53.37 2wia n ASN 120 Cb 0.48 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.20 2wia n ASN 120 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 2wia n MET 121 N -0.07 -4.48 0.03 -3.83 2.81 -1.26 -0.85 117.12 109.47 2wia n MET 121 Ca 0.00 0.56 -0.06 0.00 -1.81 0.00 0.00 57.70 56.39 2wia n MET 121 Cb 0.00 -5.01 0.12 0.00 -0.71 0.00 0.00 33.22 27.63 2wia n MET 121 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 2wia h LEU 122 N -1.86 0.47 -0.29 4.03 3.38 -1.90 -2.83 115.31 116.31 2wia h LEU 122 Ca -0.62 -0.22 -0.20 0.00 0.09 0.00 0.00 57.88 56.93 2wia h LEU 122 Cb 1.36 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2wia h LEU 122 CO 0.58 0.87 -0.83 -2.24 0.09 0.00 0.00 178.44 176.90 2wia h ASP 123 N 0.35 0.49 -0.42 -0.43 2.03 -1.98 -2.60 116.42 113.87 2wia h ASP 123 Ca 0.02 -0.36 0.05 0.00 -0.73 0.00 0.00 57.03 56.01 2wia h ASP 123 Cb 0.95 -0.15 -0.05 0.00 -0.83 0.00 0.00 39.33 39.26 2wia h ASP 123 CO 0.08 1.13 0.15 0.40 -1.03 0.00 0.00 179.24 179.97 2wia h ILE 124 N 0.24 0.87 -0.22 4.15 2.04 -1.96 -0.13 117.51 122.50 2wia h ILE 124 Ca -0.05 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.76 2wia h ILE 124 Cb 1.44 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.98 2wia h ILE 124 CO 0.14 0.06 -0.32 0.00 0.00 0.00 0.00 178.15 178.03 2wia h ALA 125 N 1.27 -0.30 0.95 1.87 0.00 -1.51 -2.17 119.26 119.38 2wia h ALA 125 Ca 0.19 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2wia h ALA 125 Cb 0.18 0.63 0.01 0.00 0.00 0.00 0.00 17.79 18.61 2wia h ALA 125 CO -0.20 -0.77 -0.49 1.05 0.00 0.00 0.00 179.25 178.85 2wia h GLU 126 N -0.34 -1.27 -0.45 0.00 9.09 -1.11 0.28 114.58 120.78 2wia h GLU 126 Ca 0.12 0.09 0.15 0.00 0.05 0.00 0.00 59.36 59.77 2wia h GLU 126 Cb 0.53 0.29 -0.08 0.00 -1.65 0.00 0.00 28.75 27.84 2wia h GLU 126 CO -0.41 -0.84 0.10 1.63 0.05 0.00 0.00 179.01 179.53 2wia n LYS 127 N -5.63 -0.03 -1.14 1.06 4.01 -0.09 0.41 118.16 116.75 2wia n LYS 127 Ca -0.16 0.65 -0.23 0.00 -0.51 0.00 0.00 58.31 58.06 2wia n LYS 127 Cb 0.53 -1.08 0.15 0.00 -0.51 0.00 0.00 35.03 34.12 2wia n LYS 127 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wia n GLN 128 N -4.30 2.19 -2.02 1.97 10.64 -0.81 -4.90 117.38 120.15 2wia n GLN 128 Ca 0.13 -2.78 -0.04 0.00 -1.83 0.00 0.00 57.00 52.48 2wia n GLN 128 Cb 0.44 -2.09 -0.01 0.00 -0.86 0.00 0.00 30.24 27.72 2wia n GLN 128 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2wia n GLN 129 N -0.97 -2.17 -3.36 2.61 3.00 1.35 -4.94 117.38 112.89 2wia n GLN 129 Ca 0.55 0.22 -0.44 0.00 -0.01 0.00 0.00 57.00 57.32 2wia n GLN 129 Cb 1.46 -4.60 -0.08 0.00 0.00 0.00 0.00 30.24 27.02 2wia n GLN 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2wia s VAL 130 N -1.92 5.18 0.00 5.09 0.11 0.91 -4.95 120.40 124.83 2wia s VAL 130 Ca 0.00 -0.90 -0.08 0.00 -2.93 0.00 0.00 61.98 58.07 2wia s VAL 130 Cb 0.00 -4.12 -0.05 0.00 -1.53 0.00 0.00 36.38 30.68 2wia s VAL 130 CO 0.00 -0.56 0.30 -0.13 -3.33 0.00 0.00 175.10 171.37 2wia s ARG 131 N 1.80 3.65 -0.05 1.54 1.81 -1.26 -4.06 118.95 122.38 2wia s ARG 131 Ca 0.06 0.04 0.02 0.00 -1.72 0.00 0.00 55.73 54.13 2wia s ARG 131 Cb -0.23 -3.10 0.02 0.00 -0.45 0.00 0.00 34.95 31.19 2wia s ARG 131 CO 0.08 0.65 -0.07 0.42 -0.68 0.00 0.00 175.30 175.70 2wia s ILE 132 N -1.25 0.75 -0.71 1.52 1.09 -1.26 -4.24 121.20 117.10 2wia s ILE 132 Ca 0.26 -0.26 -0.22 0.00 -1.10 0.00 0.00 60.65 59.33 2wia s ILE 132 Cb -0.14 -0.72 0.08 0.00 -1.06 0.00 0.00 42.46 40.62 2wia s ILE 132 CO 0.14 0.26 1.01 -0.62 -0.10 0.00 0.00 174.94 175.64 2wia s ASP 133 N 0.72 6.24 0.22 3.58 -1.08 0.82 -4.91 116.67 122.27 2wia s ASP 133 Ca -0.12 -1.13 -0.15 0.00 -0.52 0.00 0.00 52.55 50.64 2wia s ASP 133 Cb -0.14 -2.42 0.26 0.00 -1.46 0.00 0.00 42.92 39.15 2wia s ASP 133 CO 0.01 -1.41 1.59 0.40 0.52 0.00 0.00 175.17 176.28 2wia h ILE 134 N 5.98 0.16 0.00 4.11 5.03 -1.96 0.13 117.51 130.96 2wia h ILE 134 Ca -0.21 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.53 2wia h ILE 134 Cb 1.06 0.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.01 2wia h ILE 134 CO 1.18 0.00 -0.34 0.44 -0.68 0.00 0.00 178.15 178.75 2wia h ASP 135 N -0.05 0.00 0.47 1.72 3.32 -1.90 -1.84 116.42 118.14 2wia h ASP 135 Ca 0.33 -0.03 -0.30 0.00 0.02 0.00 0.00 57.03 57.06 2wia h ASP 135 Cb 0.58 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.14 2wia h ASP 135 CO -0.81 0.01 -1.41 0.00 -1.72 0.00 0.00 179.24 175.31 2wia h ALA 136 N 2.14 0.09 0.37 3.45 0.00 -1.71 -2.27 119.26 121.32 2wia h ALA 136 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 2wia h ALA 136 Cb 0.93 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2wia h ALA 136 CO 0.00 0.96 -0.27 1.25 0.00 0.00 0.00 179.25 181.20 2wia h LEU 137 N 0.09 -0.69 -0.88 0.00 5.85 -0.51 -2.11 115.31 117.06 2wia h LEU 137 Ca -0.21 0.05 0.20 0.00 0.84 0.00 0.00 57.88 58.76 2wia h LEU 137 Cb 2.04 0.22 -0.16 0.00 0.37 0.00 0.00 40.66 43.12 2wia h LEU 137 CO 0.21 -0.41 -0.11 0.00 -0.34 0.00 0.00 178.44 177.78 2wia h ALA 138 N -0.07 0.76 -0.40 1.25 0.00 -1.38 -0.76 119.26 118.65 2wia h ALA 138 Ca -0.03 0.32 -0.16 0.00 0.00 0.00 0.00 54.91 55.04 2wia h ALA 138 Cb 0.54 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2wia h ALA 138 CO 0.01 -0.44 -0.36 0.00 0.00 0.00 0.00 179.25 178.46 2wia h ALA 139 N 1.87 0.60 -0.23 0.00 0.00 -1.31 -1.03 119.26 119.15 2wia h ALA 139 Ca 0.46 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2wia h ALA 139 Cb 0.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2wia h ALA 139 CO -0.86 0.68 -0.11 0.00 0.00 0.00 0.00 179.25 178.96 2wia h ARG 140 N 0.78 0.38 0.00 0.00 2.47 -0.85 -3.28 114.38 113.88 2wia h ARG 140 Ca 0.07 -0.10 -0.18 0.00 -1.26 0.00 0.00 59.98 58.51 2wia h ARG 140 Cb 0.95 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.19 2wia h ARG 140 CO 0.09 0.50 -1.52 1.28 0.56 0.00 0.00 179.97 180.88 2wia n LEU 141 N -4.24 0.76 0.00 3.04 4.77 -0.34 -4.95 117.00 116.04 2wia n LEU 141 Ca 0.00 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2wia n LEU 141 Cb 0.29 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2wia n LEU 141 CO 0.39 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2wia n GLY 142 N 1.42 0.73 3.17 -0.72 0.00 -0.42 -4.83 105.19 104.54 2wia n GLY 142 Ca -0.11 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2wia n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wia s PRO 144 N -3.28 3.30 -0.19 0.00 0.02 -1.26 -4.40 135.00 129.19 2wia s PRO 144 Ca 0.01 1.21 -0.02 0.00 0.02 0.00 0.00 61.00 62.21 2wia s PRO 144 Cb 0.02 -2.03 0.06 0.00 0.02 0.00 0.00 34.50 32.57 2wia s PRO 144 CO -0.08 -0.83 0.01 0.08 -0.33 0.00 0.00 177.00 175.85 2wia s VAL 145 N -2.46 0.74 -0.30 3.83 1.01 -1.26 -1.84 120.40 120.12 2wia s VAL 145 Ca 0.64 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 2wia s VAL 145 Cb -0.16 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.11 2wia s VAL 145 CO 0.37 -0.12 0.03 -0.63 0.00 0.00 0.00 175.10 174.75 2wia s ILE 146 N 1.77 3.37 -0.12 2.22 -1.09 0.01 -4.89 121.20 122.47 2wia s ILE 146 Ca -0.01 -1.12 -0.30 0.00 -2.23 0.00 0.00 60.65 57.00 2wia s ILE 146 Cb -0.17 -2.85 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 2wia s ILE 146 CO -0.07 -0.03 1.27 -2.16 -1.23 0.00 0.00 174.94 172.72 2wia s PRO 147 N 1.35 4.27 0.23 2.79 0.04 -1.26 0.59 135.00 143.00 2wia s PRO 147 Ca -0.02 1.71 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 2wia s PRO 147 Cb -0.19 -3.71 -0.09 0.00 0.04 0.00 0.00 34.50 30.56 2wia s PRO 147 CO 0.00 -0.63 0.81 -0.51 0.04 0.00 0.00 177.00 176.71 2wia s LEU 148 N 3.10 4.46 -1.15 -3.56 1.43 0.14 -4.35 118.68 118.75 2wia s LEU 148 Ca 0.57 1.64 -0.24 0.00 -1.03 0.00 0.00 54.13 55.07 2wia s LEU 148 Cb -0.24 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.29 2wia s LEU 148 CO 0.18 0.09 1.97 -0.60 0.23 0.00 0.00 176.35 178.22 2wia s ARG 152 N -1.62 2.23 0.00 1.70 3.52 -1.26 -4.80 118.95 118.72 2wia s ARG 152 Ca 0.42 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 55.05 2wia s ARG 152 Cb -0.20 -5.18 0.00 0.00 -1.56 0.00 0.00 34.95 28.01 2wia s ARG 152 CO 0.24 -4.26 0.00 0.41 -0.81 0.00 0.00 175.30 170.89 2wia n GLY 153 N 5.93 0.58 0.08 8.12 0.00 -1.26 -4.93 105.19 113.71 2wia n GLY 153 Ca 0.44 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2wia n GLY 153 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wia h ARG 154 N 1.06 -0.07 -0.76 1.61 3.08 -1.96 -2.94 114.38 114.40 2wia h ARG 154 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 2wia h ARG 154 Cb 0.00 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 2wia h ARG 154 CO 0.00 0.42 0.40 0.78 -1.07 0.00 0.00 179.97 180.51 2wia h GLY 155 N -0.60 1.17 0.84 0.04 0.00 -1.87 -2.54 103.07 100.11 2wia h GLY 155 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2wia h GLY 155 CO 0.01 0.08 -0.15 -2.22 0.00 0.00 0.00 176.54 174.27 2wia h ILE 156 N 0.68 0.68 -0.37 2.60 1.08 -1.87 0.59 117.51 120.89 2wia h ILE 156 Ca 0.37 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.84 2wia h ILE 156 Cb 0.38 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 2wia h ILE 156 CO -0.26 0.00 0.22 -0.33 -0.69 0.00 0.00 178.15 177.08 2wia h GLU 157 N -0.33 0.51 -0.47 2.37 4.39 -1.53 0.38 114.58 119.89 2wia h GLU 157 Ca -0.00 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2wia h GLU 157 Cb 0.31 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 2wia h GLU 157 CO -0.03 0.40 0.26 0.00 -1.16 0.00 0.00 179.01 178.49 2wia h ALA 158 N 1.08 0.60 -0.33 3.43 0.00 -1.39 -0.77 119.26 121.89 2wia h ALA 158 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2wia h ALA 158 Cb 0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 2wia h ALA 158 CO -0.02 -0.06 -0.09 1.25 0.00 0.00 0.00 179.25 180.33 2wia h LEU 159 N 0.53 -0.32 -0.77 0.00 5.85 0.14 -1.98 115.31 118.76 2wia h LEU 159 Ca 0.20 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 2wia h LEU 159 Cb 0.06 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2wia h LEU 159 CO -0.11 -0.11 -0.02 0.11 -0.34 0.00 0.00 178.44 177.96 2wia h LYS 160 N -0.01 0.91 0.19 1.25 1.57 -0.08 -2.29 116.57 118.11 2wia h LYS 160 Ca 0.16 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2wia h LYS 160 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2wia h LYS 160 CO -0.34 0.92 -0.22 0.82 -0.57 0.00 0.00 179.45 180.06 2wia h ILE 161 N 0.84 0.53 -1.01 1.86 1.08 -0.89 -2.47 117.51 117.44 2wia h ILE 161 Ca 0.15 0.00 0.25 0.00 -0.39 0.00 0.00 64.86 64.87 2wia h ILE 161 Cb 0.53 0.53 -0.09 0.00 -3.07 0.00 0.00 36.82 34.72 2wia h ILE 161 CO 0.03 0.00 0.65 0.00 -0.69 0.00 0.00 178.15 178.14 2wia h ALA 162 N 0.29 2.22 -0.14 1.87 0.00 -1.07 0.10 119.26 122.53 2wia h ALA 162 Ca 0.01 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2wia h ALA 162 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2wia h ALA 162 CO -0.07 -0.60 -0.72 -0.07 0.00 0.00 0.00 179.25 177.79 2wia h LEU 163 N 0.41 0.75 -0.62 0.00 3.38 -0.96 -0.56 115.31 117.71 2wia h LEU 163 Ca 0.56 -0.48 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 2wia h LEU 163 Cb 1.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2wia h LEU 163 CO -0.26 1.25 -0.69 0.44 0.09 0.00 0.00 178.44 179.27 2wia h ASP 164 N 0.44 0.01 0.84 -0.43 3.32 -0.98 -3.35 116.42 116.28 2wia h ASP 164 Ca -0.03 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 2wia h ASP 164 Cb 1.32 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 2wia h ASP 164 CO 0.14 0.69 -1.19 0.54 -1.72 0.00 0.00 179.24 177.71 2wia n ARG 165 N -3.72 0.61 -3.01 3.56 1.74 0.24 -4.91 116.66 111.17 2wia n ARG 165 Ca -0.01 0.11 -0.40 0.00 -0.77 0.00 0.00 57.85 56.78 2wia n ARG 165 Cb 0.68 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 30.27 2wia n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2wia s HIS 166 N -3.29 3.79 0.00 -1.55 2.46 -0.23 -4.96 115.29 111.52 2wia s HIS 166 Ca -0.02 1.50 0.00 0.00 0.47 0.00 0.00 55.06 57.01 2wia s HIS 166 Cb 0.10 -2.77 0.00 0.00 -0.13 0.00 0.00 32.58 29.78 2wia s HIS 166 CO 0.81 0.38 0.00 1.04 -2.47 0.00 0.00 174.74 174.49 2wia n GLN 167 N 2.34 0.00 -4.03 2.88 1.13 -1.26 -4.95 117.38 113.49 2wia n GLN 167 Ca -0.04 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.87 2wia n GLN 167 Cb 0.50 -0.56 -0.15 0.00 0.11 0.00 0.00 30.24 30.14 2wia n GLN 167 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wia s ALA 168 N -1.99 0.28 1.00 -1.58 0.00 -1.26 -4.75 121.76 113.46 2wia s ALA 168 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 2wia s ALA 168 Cb 0.00 -0.10 0.19 0.00 0.00 0.00 0.00 23.12 23.21 2wia s ALA 168 CO 0.00 0.05 1.09 -0.80 0.00 0.00 0.00 175.76 176.10 2wia s ASN 169 N 0.08 2.31 0.26 0.00 0.01 -1.26 -4.99 114.94 111.34 2wia s ASN 169 Ca -0.00 1.84 -0.29 0.00 -0.71 0.00 0.00 52.86 53.69 2wia s ASN 169 Cb -0.03 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.12 2wia s ASN 169 CO -0.00 -3.42 1.19 -0.44 -1.51 0.00 0.00 177.10 172.92 2wia s SER 170 N -2.73 7.07 -0.58 -1.22 0.01 0.13 -4.96 113.70 111.42 2wia s SER 170 Ca 0.67 2.37 -0.27 0.00 1.31 0.00 0.00 55.95 60.03 2wia s SER 170 Cb -0.23 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.41 2wia s SER 170 CO 0.60 -0.33 1.12 1.51 0.41 0.00 0.00 173.24 176.55 2wia s ASP 171 N -0.40 6.40 0.00 2.44 3.84 -1.26 -4.75 116.67 122.93 2wia s ASP 171 Ca 0.49 -0.08 0.04 0.00 -0.00 0.00 0.00 52.55 53.00 2wia s ASP 171 Cb -0.34 -2.52 0.09 0.00 -1.38 0.00 0.00 42.92 38.77 2wia s ASP 171 CO 0.42 -1.43 0.96 0.18 -0.00 0.00 0.00 175.17 175.31 2wia n LEU 172 N 8.20 2.05 -3.78 2.11 4.77 -1.26 -5.02 117.00 124.07 2wia n LEU 172 Ca 0.06 -1.72 -0.34 0.00 -0.03 0.00 0.00 56.01 53.98 2wia n LEU 172 Cb 0.48 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2wia n LEU 172 CO 0.69 0.50 -0.10 -1.84 -1.33 0.00 0.00 177.39 175.32 2wia n GLU 173 N -0.04 -0.96 0.12 3.23 -0.00 -1.26 -4.89 120.64 116.84 2wia n GLU 173 Ca 0.04 0.42 -0.16 0.00 -0.00 0.00 0.00 57.16 57.46 2wia n GLU 173 Cb 0.25 -3.54 -0.09 0.00 -0.00 0.00 0.00 31.44 28.06 2wia n GLU 173 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2wia h LEU 174 N -1.86 -1.51 -9.97 -1.84 3.38 -1.95 -3.43 115.31 98.13 2wia h LEU 174 Ca -0.65 0.16 -0.52 0.00 0.09 0.00 0.00 57.88 56.96 2wia h LEU 174 Cb 1.36 0.55 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 2wia h LEU 174 CO 0.47 -0.54 -0.00 -0.69 0.09 0.00 0.00 178.44 177.77 2wia s VAL 175 N -5.62 4.79 -0.35 1.22 1.01 -1.26 -4.93 120.40 115.26 2wia s VAL 175 Ca -0.16 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.63 2wia s VAL 175 Cb 0.06 -3.64 0.10 0.00 0.00 0.00 0.00 36.38 32.89 2wia s VAL 175 CO 0.57 -0.07 0.07 -2.28 0.00 0.00 0.00 175.10 173.39 2wia s HIS 176 N -1.83 3.74 0.13 5.22 2.46 -1.26 -5.07 115.29 118.68 2wia s HIS 176 Ca 0.49 -2.98 -0.09 0.00 0.47 0.00 0.00 55.06 52.95 2wia s HIS 176 Cb -0.12 -2.95 -0.06 0.00 -0.13 0.00 0.00 32.58 29.33 2wia s HIS 176 CO 0.19 -0.95 0.45 0.71 -2.47 0.00 0.00 174.74 172.67 2wia s TYR 177 N 0.88 3.53 0.54 3.88 2.02 -1.26 -4.80 117.35 122.14 2wia s TYR 177 Ca 0.11 0.79 -0.22 0.00 -0.37 0.00 0.00 57.07 57.39 2wia s TYR 177 Cb -0.19 -2.18 -0.05 0.00 -0.40 0.00 0.00 41.96 39.14 2wia s TYR 177 CO -0.08 0.44 1.33 -2.14 -1.57 0.00 0.00 175.55 173.53 2wia s PRO 178 N -2.26 3.18 0.21 -1.71 0.02 -1.26 -4.88 135.00 128.30 2wia s PRO 178 Ca 0.38 2.16 -0.17 0.00 0.02 0.00 0.00 61.00 63.39 2wia s PRO 178 Cb -0.13 -2.24 0.21 0.00 0.02 0.00 0.00 34.50 32.35 2wia s PRO 178 CO 0.20 -1.14 1.59 0.37 -0.33 0.00 0.00 177.00 177.70 2wia h GLN 179 N 1.46 -0.08 -0.70 5.54 5.75 -1.99 -2.37 115.11 122.72 2wia h GLN 179 Ca -0.51 0.01 0.14 0.00 -0.15 0.00 0.00 58.65 58.14 2wia h GLN 179 Cb 1.30 0.02 -0.10 0.00 1.07 0.00 0.00 27.48 29.77 2wia h GLN 179 CO 0.57 -0.05 0.20 -1.35 -2.65 0.00 0.00 178.83 175.55 2wia h PRO 180 N -0.08 0.32 -0.15 -2.39 0.11 -1.99 0.36 132.00 128.17 2wia h PRO 180 Ca 0.29 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 2wia h PRO 180 Cb 0.55 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.58 2wia h PRO 180 CO -0.74 0.21 0.05 -0.07 -0.21 0.00 0.00 178.00 177.24 2wia h LEU 181 N 0.32 0.22 0.47 2.35 3.38 -1.82 -2.13 115.31 118.11 2wia h LEU 181 Ca 0.39 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2wia h LEU 181 Cb 0.61 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wia h LEU 181 CO -0.44 0.36 -0.25 -0.07 0.09 0.00 0.00 178.44 178.13 2wia h LEU 182 N 0.07 -0.59 -0.16 1.67 3.38 -1.07 0.35 115.31 118.96 2wia h LEU 182 Ca 0.05 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2wia h LEU 182 Cb 0.22 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2wia h LEU 182 CO -0.00 -0.40 -0.09 -1.14 0.09 0.00 0.00 178.44 176.89 2wia n ARG 183 N -3.84 -0.07 -0.25 1.13 0.63 0.12 0.12 116.66 114.51 2wia n ARG 183 Ca -0.08 0.61 0.09 0.00 -0.92 0.00 0.00 57.85 57.55 2wia n ARG 183 Cb 0.26 -0.90 0.35 0.00 0.45 0.00 0.00 32.46 32.62 2wia n ARG 183 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2wia h GLU 184 N 0.00 0.73 -0.62 -0.14 4.39 -1.41 0.22 114.58 117.75 2wia h GLU 184 Ca 0.03 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2wia h GLU 184 Cb 0.06 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2wia h GLU 184 CO -0.15 0.48 0.11 0.00 -1.16 0.00 0.00 179.01 178.29 2wia h ALA 185 N 1.59 1.01 0.00 3.43 0.00 0.25 -0.97 119.26 124.57 2wia h ALA 185 Ca 0.40 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2wia h ALA 185 Cb 0.52 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2wia h ALA 185 CO -0.17 0.63 -0.44 -0.44 0.00 0.00 0.00 179.25 178.83 2wia h ASP 186 N 0.95 0.00 0.21 0.00 5.19 0.30 -0.90 116.42 122.17 2wia h ASP 186 Ca 0.19 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.37 2wia h ASP 186 Cb 0.40 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.92 2wia h ASP 186 CO 0.01 0.44 -0.95 -0.07 -3.12 0.00 0.00 179.24 175.55 2wia h LEU 187 N 0.00 0.66 -0.30 1.55 4.07 -0.55 -2.47 115.31 118.27 2wia h LEU 187 Ca -0.00 -0.52 -0.00 0.00 0.08 0.00 0.00 57.88 57.43 2wia h LEU 187 Cb 1.04 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.56 2wia h LEU 187 CO 0.06 1.32 0.18 -0.07 -1.08 0.00 0.00 178.44 178.84 2wia h LEU 188 N 0.30 0.36 -1.00 1.67 3.38 -1.12 -3.25 115.31 115.65 2wia h LEU 188 Ca -0.09 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.00 2wia h LEU 188 Cb 1.59 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.15 2wia h LEU 188 CO 0.17 0.30 0.62 0.00 0.09 0.00 0.00 178.44 179.62 2wia h ALA 189 N 1.07 1.63 -0.83 1.53 0.00 -1.17 -2.21 119.26 119.28 2wia h ALA 189 Ca 0.11 0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.26 2wia h ALA 189 Cb 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2wia h ALA 189 CO -0.02 0.03 0.55 -0.56 0.00 0.00 0.00 179.25 179.25 2wia h GLN 190 N 0.83 0.36 -0.68 0.00 -0.00 -1.47 -3.12 115.11 111.02 2wia h GLN 190 Ca 0.56 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.19 2wia h GLN 190 Cb 0.78 -0.08 0.00 0.00 -0.00 0.00 0.00 27.48 28.18 2wia h GLN 190 CO -0.35 0.24 0.00 0.00 -0.00 0.00 0.00 178.83 178.72 2wia n GLN 191 N -4.48 2.14 -4.42 0.06 -0.00 -0.83 -4.95 117.38 104.91 2wia n GLN 191 Ca 0.17 -1.05 -0.21 0.00 -0.00 0.00 0.00 57.00 55.91 2wia n GLN 191 Cb 0.64 -1.61 -0.10 0.00 -0.00 0.00 0.00 30.24 29.17 2wia n GLN 191 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 2wia s MET 192 N -1.63 1.53 0.49 2.61 1.00 -1.18 -4.20 119.30 117.92 2wia s MET 192 Ca 0.18 -1.79 -0.22 0.00 0.00 0.00 0.00 55.69 53.86 2wia s MET 192 Cb 0.13 -1.00 -0.09 0.00 0.00 0.00 0.00 34.83 33.88 2wia s MET 192 CO 0.07 -0.04 0.98 -1.13 0.00 0.00 0.00 175.02 174.91 2wia n SER 193 N -0.58 1.06 0.00 3.03 3.41 -1.26 -4.87 113.62 114.41 2wia n SER 193 Ca -0.05 0.95 0.09 0.00 -0.26 0.00 0.00 58.87 59.60 2wia n SER 193 Cb 0.64 -1.36 0.39 0.00 -0.26 0.00 0.00 64.21 63.62 2wia n SER 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wia n ALA 194 N -0.92 1.84 0.18 7.33 0.00 -1.26 -2.55 120.51 125.13 2wia n ALA 194 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.52 2wia n ALA 194 Cb 0.42 -1.29 0.35 0.00 0.00 0.00 0.00 19.45 18.93 2wia n ALA 194 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2wia h GLN 195 N 0.00 0.00 -5.71 0.00 -0.00 -2.04 -3.41 115.11 103.95 2wia h GLN 195 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 58.05 2wia h GLN 195 Cb 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 27.48 27.69 2wia h GLN 195 CO 0.00 0.40 0.33 -1.50 0.00 0.00 0.00 178.83 178.06 2wia s ILE 196 N -3.84 4.90 0.63 2.39 2.07 -1.06 -5.05 121.20 121.24 2wia s ILE 196 Ca -0.01 1.41 -0.17 0.00 -1.41 0.00 0.00 60.65 60.46 2wia s ILE 196 Cb 0.13 -4.05 -0.11 0.00 0.13 0.00 0.00 42.46 38.56 2wia s ILE 196 CO 0.70 -0.01 0.13 -2.65 -1.91 0.00 0.00 174.94 171.20 2wia n PRO 197 N 5.72 0.20 0.01 3.50 -0.01 -1.26 -4.60 135.00 138.56 2wia n PRO 197 Ca 0.03 0.09 -0.13 0.00 -0.01 0.00 0.00 63.50 63.48 2wia n PRO 197 Cb 0.48 -1.38 -0.00 0.00 -0.01 0.00 0.00 33.50 32.59 2wia n PRO 197 CO 0.00 0.00 0.00 -1.35 -0.01 0.00 0.00 175.50 174.14 2wia h PRO 198 N -0.14 0.60 -0.17 0.52 0.11 -1.94 -2.16 132.00 128.83 2wia h PRO 198 Ca -0.44 -0.46 0.03 0.00 0.11 0.00 0.00 66.00 65.24 2wia h PRO 198 Cb 1.40 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.58 2wia h PRO 198 CO 0.41 1.08 0.12 0.00 -0.21 0.00 0.00 178.00 179.40 2wia h ARG 199 N 0.43 0.11 -0.01 1.05 3.08 -1.90 -2.28 114.38 114.85 2wia h ARG 199 Ca -0.03 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2wia h ARG 199 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2wia h ARG 199 CO 0.13 0.07 -0.03 1.96 -1.07 0.00 0.00 179.97 181.03 2wia h GLN 200 N 0.11 0.04 -0.59 0.04 4.20 -1.51 -2.42 115.11 114.98 2wia h GLN 200 Ca 0.07 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.84 2wia h GLN 200 Cb 0.15 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 27.83 2wia h GLN 200 CO -0.01 0.63 -0.41 0.00 -0.67 0.00 0.00 178.83 178.36 2wia h ARG 201 N -0.53 -0.20 -0.12 1.46 3.08 -1.30 1.05 114.38 117.82 2wia h ARG 201 Ca -0.00 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2wia h ARG 201 Cb 0.63 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 2wia h ARG 201 CO 0.01 -0.13 -0.22 -0.09 -1.07 0.00 0.00 179.97 178.46 2wia h ARG 202 N -0.21 -0.28 -0.61 0.04 2.43 -1.45 0.72 114.38 115.02 2wia h ARG 202 Ca 0.19 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2wia h ARG 202 Cb 0.56 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 2wia h ARG 202 CO -0.69 -0.19 0.25 2.35 -1.51 0.00 0.00 179.97 180.18 2wia h TRP 203 N -0.29 0.92 -0.31 2.20 7.01 -0.90 0.18 115.95 124.76 2wia h TRP 203 Ca 0.10 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.05 2wia h TRP 203 Cb 0.43 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 2wia h TRP 203 CO -0.32 0.72 0.17 -0.07 -2.79 0.00 0.00 178.44 176.16 2wia h LEU 204 N 0.84 0.28 -0.98 0.65 3.38 0.16 0.05 115.31 119.69 2wia h LEU 204 Ca 0.20 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.31 2wia h LEU 204 Cb 0.19 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 40.73 2wia h LEU 204 CO -0.02 0.21 -0.45 1.23 0.09 0.00 0.00 178.44 179.50 2wia h GLY 205 N 0.36 -0.20 1.11 0.83 0.00 0.97 -1.12 103.07 105.02 2wia h GLY 205 Ca 0.12 0.60 0.00 0.00 0.00 0.00 0.00 47.33 48.06 2wia h GLY 205 CO -0.06 -0.13 0.57 1.41 0.00 0.00 0.00 176.54 178.33 2wia h LEU 206 N -0.01 1.05 -1.17 3.11 3.38 0.08 -2.78 115.31 118.97 2wia h LEU 206 Ca 0.29 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2wia h LEU 206 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2wia h LEU 206 CO -0.97 0.78 0.14 1.56 0.09 0.00 0.00 178.44 180.04 2wia h GLN 207 N 1.22 0.72 -0.58 1.13 1.08 -0.64 -1.03 115.11 117.01 2wia h GLN 207 Ca 0.32 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 57.29 2wia h GLN 207 Cb -0.10 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 2wia h GLN 207 CO -0.07 0.64 -0.04 0.52 -0.95 0.00 0.00 178.83 178.93 2wia h MET 208 N 0.70 1.06 -0.63 1.46 2.86 -1.05 -1.76 114.93 117.58 2wia h MET 208 Ca 0.16 -0.36 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 2wia h MET 208 Cb 0.23 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 2wia h MET 208 CO -0.01 1.06 0.05 -0.07 1.06 0.00 0.00 176.91 179.00 2wia h LEU 209 N 0.95 1.04 -2.01 1.22 3.38 -1.38 -3.21 115.31 115.31 2wia h LEU 209 Ca 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2wia h LEU 209 Cb 0.61 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2wia h LEU 209 CO 0.04 1.07 -0.09 -0.08 0.09 0.00 0.00 178.44 179.46 2wia h GLU 210 N 0.99 0.00 0.00 1.13 4.81 -1.16 -3.35 114.58 117.00 2wia h GLU 210 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2wia h GLU 210 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2wia h GLU 210 CO 0.02 0.09 0.00 0.41 -0.73 0.00 0.00 179.01 178.81 2wia n GLY 211 N -1.01 1.18 3.61 1.92 0.00 -1.12 -4.47 105.19 105.30 2wia n GLY 211 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2wia n GLY 211 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wia s ASP 212 N -1.74 5.74 0.14 1.61 -1.08 -0.68 -4.87 116.67 115.80 2wia s ASP 212 Ca 0.00 1.72 -0.04 0.00 -0.52 0.00 0.00 52.55 53.71 2wia s ASP 212 Cb 0.00 -2.52 -0.06 0.00 -1.46 0.00 0.00 42.92 38.89 2wia s ASP 212 CO 0.00 -1.76 1.34 0.16 0.52 0.00 0.00 175.17 175.43 2wia h ILE 213 N 6.86 1.39 0.00 4.11 -0.00 -1.94 -3.32 117.51 124.61 2wia h ILE 213 Ca -0.38 -2.33 0.00 0.00 -0.00 0.00 0.00 64.86 62.15 2wia h ILE 213 Cb 1.21 2.30 0.00 0.00 -0.00 0.00 0.00 36.82 40.33 2wia h ILE 213 CO 0.99 0.70 -0.08 0.00 -0.00 0.00 0.00 178.15 179.75 2wia n TYR 214 N -3.78 0.90 0.29 0.16 0.18 -1.26 -2.95 117.16 110.69 2wia n TYR 214 Ca -0.06 0.26 0.15 0.00 1.88 0.00 0.00 57.90 60.14 2wia n TYR 214 Cb 0.79 -0.91 0.86 0.00 -0.38 0.00 0.00 39.34 39.70 2wia n TYR 214 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 2wia h SER 215 N 0.00 0.00 -0.91 9.48 0.02 -1.91 -3.10 113.55 117.12 2wia h SER 215 Ca 0.00 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2wia h SER 215 Cb 0.74 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 2wia h SER 215 CO 0.00 0.06 0.59 0.03 -1.14 0.00 0.00 176.83 176.37 2wia h ARG 216 N 0.00 1.12 -1.00 3.45 3.08 -1.72 -3.02 114.38 116.29 2wia h ARG 216 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2wia h ARG 216 Cb 0.18 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.98 2wia h ARG 216 CO 0.01 0.74 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 2wia n ALA 217 N -2.35 2.45 0.00 0.04 0.00 -1.17 0.22 120.51 119.70 2wia n ALA 217 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2wia n ALA 217 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2wia n ALA 217 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wia n TYR 218 N 0.28 0.00 -0.03 0.00 4.01 -1.16 -4.85 117.16 115.41 2wia n TYR 218 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 2wia n TYR 218 Cb 0.37 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.32 2wia n TYR 218 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wia h ALA 219 N 0.00 0.28 0.00 -0.72 0.00 -0.11 -3.49 119.26 115.22 2wia h ALA 219 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2wia h ALA 219 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wia h ALA 219 CO 0.00 0.57 0.00 0.41 0.00 0.00 0.00 179.25 180.23 2wia n GLY 220 N 0.68 0.75 0.14 0.00 0.00 -1.15 -4.41 105.19 101.20 2wia n GLY 220 Ca -0.07 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.27 2wia n GLY 220 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2wia h ASP 221 N 0.00 0.38 -0.37 1.61 -0.00 -1.93 -3.32 116.42 112.79 2wia h ASP 221 Ca 0.00 -0.30 -0.18 0.00 -0.00 0.00 0.00 57.03 56.55 2wia h ASP 221 Cb 0.00 -0.12 -0.02 0.00 -0.00 0.00 0.00 39.33 39.19 2wia h ASP 221 CO 0.00 1.10 0.53 0.00 -0.00 0.00 0.00 179.24 180.88 2wia s ALA 222 N -3.23 1.17 0.00 -0.78 0.00 -1.26 -1.57 121.76 116.09 2wia s ALA 222 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2wia s ALA 222 Cb 0.10 -4.65 0.00 0.00 0.00 0.00 0.00 23.12 18.56 2wia s ALA 222 CO 0.84 -5.84 0.00 0.00 0.00 0.00 0.00 175.76 170.76 2wia n ALA 223 N 16.73 1.33 0.07 0.00 0.00 -1.25 -4.56 120.51 132.82 2wia n ALA 223 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 2wia n ALA 223 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 2wia n ALA 223 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2wia h ASP 224 N 0.00 0.55 0.00 0.00 3.58 -1.58 -3.31 116.42 115.66 2wia h ASP 224 Ca 0.00 -0.83 0.00 0.00 0.42 0.00 0.00 57.03 56.62 2wia h ASP 224 Cb 0.00 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2wia h ASP 224 CO 0.00 1.70 0.00 0.29 -2.88 0.00 0.00 179.24 178.35 2wia n LYS 225 N -3.54 0.60 0.31 0.28 4.01 -1.24 -3.71 118.16 114.87 2wia n LYS 225 Ca -0.23 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.44 2wia n LYS 225 Cb 1.07 -1.41 -0.06 0.00 -0.51 0.00 0.00 35.03 34.12 2wia n LYS 225 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 2wia h LEU 226 N 0.00 -0.69 0.00 -0.35 -0.00 -1.88 -2.84 115.31 109.55 2wia h LEU 226 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2wia h LEU 226 Cb 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 2wia h LEU 226 CO 0.00 -0.39 0.00 -0.90 -0.00 0.00 0.00 178.44 177.15 2wia n ASP 227 N -4.76 0.00 0.13 0.17 5.75 -1.24 -0.55 116.55 116.04 2wia n ASP 227 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.55 2wia n ASP 227 Cb 0.32 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 2wia n ASP 227 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2wia h ILE 228 N 0.00 0.77 -0.88 2.12 5.03 -1.71 -3.07 117.51 119.76 2wia h ILE 228 Ca 0.00 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.83 2wia h ILE 228 Cb 0.00 0.77 -0.07 0.00 -3.03 0.00 0.00 36.82 34.48 2wia h ILE 228 CO 0.00 0.00 0.54 0.00 -0.68 0.00 0.00 178.15 178.01 2wia h ALA 229 N 0.55 1.26 0.00 1.87 0.00 -0.64 -0.10 119.26 122.20 2wia h ALA 229 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wia h ALA 229 Cb 0.23 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wia h ALA 229 CO 0.01 0.21 -0.05 -0.07 0.00 0.00 0.00 179.25 179.35 2wia h LEU 230 N 0.92 0.00 0.05 0.00 3.38 -1.33 -0.32 115.31 118.01 2wia h LEU 230 Ca 0.41 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.13 2wia h LEU 230 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2wia h LEU 230 CO -0.22 0.05 -1.28 0.00 0.09 0.00 0.00 178.44 177.08 2wia h ALA 231 N 1.95 0.36 0.00 1.53 0.00 -1.11 -1.58 119.26 120.42 2wia h ALA 231 Ca -0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 2wia h ALA 231 Cb 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wia h ALA 231 CO 0.01 1.24 -0.30 -0.91 0.00 0.00 0.00 179.25 179.28 2wia h ASN 232 N 0.03 0.00 0.65 0.00 2.35 -0.49 -3.11 115.58 115.02 2wia h ASN 232 Ca -0.13 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.50 2wia h ASN 232 Cb 1.90 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.25 2wia h ASN 232 CO 0.14 0.30 -1.43 0.18 -1.65 0.00 0.00 177.43 174.97 2wia n LEU 233 N -3.70 0.70 -0.24 1.61 4.32 -0.18 -4.46 117.00 115.06 2wia n LEU 233 Ca -0.01 0.30 -0.00 0.00 -0.02 0.00 0.00 56.01 56.27 2wia n LEU 233 Cb 0.41 0.06 0.06 0.00 -1.62 0.00 0.00 43.42 42.33 2wia n LEU 233 CO 0.35 0.06 0.70 -1.28 -1.22 0.00 0.00 177.39 176.00 2wia h SER 234 N 0.00 -0.76 1.72 -1.43 0.87 -1.20 -0.72 113.55 112.03 2wia h SER 234 Ca -0.13 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2wia h SER 234 Cb 1.40 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 2wia h SER 234 CO 0.03 -0.25 0.00 0.44 -0.53 0.00 0.00 176.83 176.52 2wia h ASP 235 N -0.03 0.00 0.00 6.23 5.19 -1.79 -3.39 116.42 122.63 2wia h ASP 235 Ca 0.32 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.61 2wia h ASP 235 Cb 0.53 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 2wia h ASP 235 CO -0.72 0.00 -0.73 -0.33 -3.12 0.00 0.00 179.24 174.34 2wia h GLU 236 N 0.00 0.00 -3.64 3.56 5.08 -1.37 -3.48 114.58 114.73 2wia h GLU 236 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2wia h GLU 236 Cb 0.86 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.02 2wia h GLU 236 CO 0.00 0.70 -0.12 0.96 -1.00 0.00 0.00 179.01 179.55 2wia s ILE 237 N -2.23 0.01 0.00 3.13 -4.36 -0.89 -5.11 121.20 111.75 2wia s ILE 237 Ca -0.21 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 58.83 2wia s ILE 237 Cb 0.03 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.62 2wia s ILE 237 CO 0.48 -0.04 0.00 0.47 0.24 0.00 0.00 174.94 176.09 2wia n ASP 238 N -0.36 1.00 -2.72 4.36 8.00 -1.26 -4.16 116.55 121.40 2wia n ASP 238 Ca -0.03 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.36 2wia n ASP 238 Cb 0.62 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.77 2wia n ASP 238 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2wia n ASP 239 N 0.00 -4.85 -0.01 -2.24 8.00 -1.26 -4.93 116.55 111.26 2wia n ASP 239 Ca 0.00 -0.49 -0.09 0.00 0.71 0.00 0.00 54.79 54.92 2wia n ASP 239 Cb 0.00 -3.80 -0.03 0.00 -0.02 0.00 0.00 41.12 37.27 2wia n ASP 239 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2wia h PRO 240 N -0.83 -0.11 -0.78 -0.24 0.11 -1.90 0.13 132.00 128.38 2wia h PRO 240 Ca -0.43 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.84 2wia h PRO 240 Cb 1.22 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.21 2wia h PRO 240 CO 0.31 -0.07 -0.26 0.00 -0.21 0.00 0.00 178.00 177.77 2wia h ALA 241 N 0.99 0.34 0.00 -0.75 0.00 -1.78 0.11 119.26 118.16 2wia h ALA 241 Ca 0.08 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2wia h ALA 241 Cb 0.23 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2wia h ALA 241 CO -0.20 -0.50 -0.25 1.37 0.00 0.00 0.00 179.25 179.66 2wia h LEU 242 N -0.04 0.00 -0.34 0.00 -0.00 -1.09 0.15 115.31 113.99 2wia h LEU 242 Ca 0.34 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 58.03 2wia h LEU 242 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 2wia h LEU 242 CO -0.82 0.25 -0.77 0.45 -0.00 0.00 0.00 178.44 177.55 2wia h HIS 243 N 0.00 0.60 -0.00 0.17 3.86 -0.72 -0.38 115.15 118.67 2wia h HIS 243 Ca -0.00 -0.28 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2wia h HIS 243 Cb 0.45 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2wia h HIS 243 CO 0.00 1.05 -0.01 0.82 0.86 0.00 0.00 177.93 180.65 2wia h ILE 244 N 0.29 1.47 -0.22 2.45 2.04 -0.81 -2.63 117.51 120.11 2wia h ILE 244 Ca -0.04 -1.39 0.05 0.00 1.00 0.00 0.00 64.86 64.48 2wia h ILE 244 Cb 1.36 2.40 -0.05 0.00 -0.74 0.00 0.00 36.82 39.79 2wia h ILE 244 CO 0.13 0.36 -0.11 0.00 0.00 0.00 0.00 178.15 178.54 2wia h ALA 245 N 0.42 0.07 -0.07 1.87 0.00 -0.70 -2.25 119.26 118.60 2wia h ALA 245 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wia h ALA 245 Cb 0.60 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wia h ALA 245 CO 0.00 -0.53 0.05 0.22 0.00 0.00 0.00 179.25 178.99 2wia h ASP 246 N -0.09 0.08 -0.14 0.00 3.58 -1.16 0.89 116.42 119.58 2wia h ASP 246 Ca 0.12 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.60 2wia h ASP 246 Cb 0.27 -0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.26 2wia h ASP 246 CO -0.28 0.06 -0.09 0.00 -2.88 0.00 0.00 179.24 176.05 2wia h ALA 247 N 1.02 0.03 -0.54 -0.78 0.00 -1.52 1.25 119.26 118.72 2wia h ALA 247 Ca 0.03 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2wia h ALA 247 Cb -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2wia h ALA 247 CO -0.01 -0.54 0.30 0.00 0.00 0.00 0.00 179.25 179.01 2wia h ARG 248 N -0.09 0.56 -0.11 0.00 3.08 -1.32 -1.01 114.38 115.50 2wia h ARG 248 Ca 0.09 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 2wia h ARG 248 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2wia h ARG 248 CO -0.20 0.37 -0.34 -0.92 -1.07 0.00 0.00 179.97 177.81 2wia h TYR 249 N 0.58 0.25 0.00 3.04 3.20 -0.46 -2.73 116.97 120.85 2wia h TYR 249 Ca 0.23 -0.06 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 2wia h TYR 249 Cb 0.09 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 2wia h TYR 249 CO -0.08 0.54 -0.49 1.96 -1.64 0.00 0.00 178.16 178.44 2wia h GLN 250 N 0.19 0.00 -0.17 1.82 1.08 0.20 -2.20 115.11 116.03 2wia h GLN 250 Ca 0.02 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.05 2wia h GLN 250 Cb 0.70 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2wia h GLN 250 CO 0.05 0.49 -0.58 1.15 -0.95 0.00 0.00 178.83 178.99 2wia h THR 251 N 0.00 1.31 -0.16 -0.54 2.02 -0.95 -2.15 112.91 112.44 2wia h THR 251 Ca -0.00 -1.82 -0.09 0.00 0.77 0.00 0.00 66.41 65.27 2wia h THR 251 Cb 0.91 1.97 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2wia h THR 251 CO 0.06 0.57 -0.24 0.40 0.37 0.00 0.00 175.52 176.68 2wia h ILE 252 N 0.39 1.35 -0.05 3.11 1.08 -1.44 -2.58 117.51 119.37 2wia h ILE 252 Ca -0.03 -1.47 -0.02 0.00 -0.39 0.00 0.00 64.86 62.96 2wia h ILE 252 Cb 1.21 1.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.87 2wia h ILE 252 CO 0.12 0.44 -0.05 0.00 -0.69 0.00 0.00 178.15 177.97 2wia h ALA 253 N 0.59 1.82 0.22 1.87 0.00 -1.40 -1.36 119.26 120.99 2wia h ALA 253 Ca 0.02 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.52 2wia h ALA 253 Cb 0.82 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.61 2wia h ALA 253 CO 0.06 0.14 -1.41 0.00 0.00 0.00 0.00 179.25 178.03 2wia h ALA 254 N 1.88 -0.11 -0.88 0.00 0.00 -1.34 -0.76 119.26 118.04 2wia h ALA 254 Ca 0.02 -0.84 0.03 0.00 0.00 0.00 0.00 54.91 54.12 2wia h ALA 254 Cb 0.15 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2wia h ALA 254 CO 0.01 0.71 0.58 0.82 0.00 0.00 0.00 179.25 181.36 2wia h ILE 255 N 0.18 1.15 0.07 0.00 1.08 -1.37 -2.45 117.51 116.16 2wia h ILE 255 Ca -0.23 -0.38 -0.25 0.00 -0.39 0.00 0.00 64.86 63.61 2wia h ILE 255 Cb 2.10 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2wia h ILE 255 CO 0.26 0.20 -1.08 0.00 -0.69 0.00 0.00 178.15 176.84 2wia h ASP 257 N 0.14 0.80 -0.40 0.00 3.32 -1.13 -1.70 116.42 117.45 2wia h ASP 257 Ca -0.10 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 2wia h ASP 257 Cb 1.77 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.12 2wia h ASP 257 CO 0.18 0.56 -0.26 0.00 -1.72 0.00 0.00 179.24 178.01 2wia h ALA 258 N 1.29 0.72 0.00 3.45 0.00 -1.34 -3.38 119.26 120.00 2wia h ALA 258 Ca 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wia h ALA 258 Cb -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2wia h ALA 258 CO -0.09 0.67 -1.87 1.33 0.00 0.00 0.00 179.25 179.29 2wia n VAL 259 N -4.10 0.02 0.18 0.00 0.24 -0.44 -4.94 118.33 109.30 2wia n VAL 259 Ca -0.00 -0.46 0.02 0.00 -2.04 0.00 0.00 64.34 61.86 2wia n VAL 259 Cb 0.47 0.08 0.02 0.00 -1.47 0.00 0.00 33.84 32.94 2wia n VAL 259 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15