#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dw1 s ALA 2 N 0.00 0.70 -0.36 0.00 0.00 -1.26 -1.74 121.76 119.10 3dw1 s ALA 2 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 51.96 51.79 3dw1 s ALA 2 Cb 0.00 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.61 3dw1 s ALA 2 CO 0.00 -0.20 0.14 -1.14 0.00 0.00 0.00 175.76 174.56 3dw1 s GLN 3 N 1.35 2.59 0.58 0.00 0.74 0.42 -4.96 119.66 120.38 3dw1 s GLN 3 Ca -0.04 -1.26 -0.15 0.00 0.05 0.00 0.00 55.36 53.96 3dw1 s GLN 3 Cb -0.13 -3.54 -0.05 0.00 1.10 0.00 0.00 33.01 30.39 3dw1 s GLN 3 CO -0.02 -0.74 1.03 0.95 -0.55 0.00 0.00 175.29 175.95 3dw1 s THR 4 N 1.40 4.24 -1.53 -0.34 -4.23 -1.26 -1.33 115.64 112.59 3dw1 s THR 4 Ca -0.00 0.98 -0.09 0.00 -1.18 0.00 0.00 61.69 61.40 3dw1 s THR 4 Cb -0.20 -3.58 0.07 0.00 1.34 0.00 0.00 72.50 70.12 3dw1 s THR 4 CO 0.02 -0.71 0.62 0.59 -0.54 0.00 0.00 174.62 174.61 3dw1 n ASN 5 N -2.08 -1.93 -4.83 3.99 3.02 -0.92 -4.93 115.26 107.58 3dw1 n ASN 5 Ca 0.07 -0.98 -0.31 0.00 -0.03 0.00 0.00 54.58 53.33 3dw1 n ASN 5 Cb 0.54 -3.04 0.03 0.00 -0.61 0.00 0.00 39.78 36.69 3dw1 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dw1 s ALA 6 N -3.64 2.81 0.49 5.41 0.00 0.19 -5.00 121.76 122.02 3dw1 s ALA 6 Ca 0.35 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 3dw1 s ALA 6 Cb -0.19 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.69 3dw1 s ALA 6 CO 0.90 -0.97 1.03 -2.30 0.00 0.00 0.00 175.76 174.41 3dw1 n PRO 7 N -2.77 1.27 -0.19 0.00 -0.02 -1.26 -4.77 135.00 127.26 3dw1 n PRO 7 Ca 0.07 0.46 0.13 0.00 -2.02 0.00 0.00 63.50 62.15 3dw1 n PRO 7 Cb 0.54 -2.14 0.45 0.00 -0.02 0.00 0.00 33.50 32.32 3dw1 n PRO 7 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3dw1 h TRP 8 N 1.22 0.62 -0.65 6.00 5.08 -1.90 -1.81 115.95 124.49 3dw1 h TRP 8 Ca -0.47 0.02 -0.08 0.00 1.08 0.00 0.00 58.89 59.44 3dw1 h TRP 8 Cb 1.34 -0.20 -0.03 0.00 -3.00 0.00 0.00 29.16 27.28 3dw1 h TRP 8 CO 0.42 0.25 0.08 0.78 -1.28 0.00 0.00 178.44 178.68 3dw1 h GLY 9 N 0.54 1.18 0.85 11.11 0.00 -1.92 0.78 103.07 115.61 3dw1 h GLY 9 Ca 0.38 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3dw1 h GLY 9 CO -0.14 0.75 0.04 1.41 0.00 0.00 0.00 176.54 178.59 3dw1 h LEU 10 N 1.02 0.33 -1.15 3.11 3.38 -1.69 -1.78 115.31 118.52 3dw1 h LEU 10 Ca 0.20 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3dw1 h LEU 10 Cb 0.47 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 3dw1 h LEU 10 CO 0.02 0.49 0.58 0.00 0.09 0.00 0.00 178.44 179.62 3dw1 h ALA 11 N 0.84 1.46 -0.66 1.53 0.00 -1.19 -2.49 119.26 118.76 3dw1 h ALA 11 Ca 0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3dw1 h ALA 11 Cb 0.30 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3dw1 h ALA 11 CO 0.00 0.44 0.10 -0.09 0.00 0.00 0.00 179.25 179.70 3dw1 h ARG 12 N 1.08 1.10 0.00 0.00 9.65 -0.54 -2.76 114.38 122.91 3dw1 h ARG 12 Ca 0.36 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 3dw1 h ARG 12 Cb 0.06 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.52 3dw1 h ARG 12 CO -0.11 1.01 -0.03 0.82 2.80 0.00 0.00 179.97 184.46 3dw1 h ILE 13 N 1.02 0.14 -0.28 1.20 2.04 -0.86 -2.20 117.51 118.56 3dw1 h ILE 13 Ca 0.20 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 3dw1 h ILE 13 Cb 0.45 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3dw1 h ILE 13 CO 0.01 0.02 -0.00 -1.54 0.00 0.00 0.00 178.15 176.65 3dw1 n SER 14 N -3.23 3.59 -4.18 1.72 3.41 -1.05 -0.21 113.62 113.67 3dw1 n SER 14 Ca -0.02 -3.17 -0.21 0.00 -0.26 0.00 0.00 58.87 55.21 3dw1 n SER 14 Cb 0.18 -0.56 -0.13 0.00 -0.26 0.00 0.00 64.21 63.43 3dw1 n SER 14 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dw1 s SER 15 N -2.06 1.91 0.00 4.04 0.15 -0.83 -4.78 113.70 112.13 3dw1 s SER 15 Ca 0.43 -0.50 0.30 0.00 0.70 0.00 0.00 55.95 56.87 3dw1 s SER 15 Cb 0.35 -0.13 1.38 0.00 -1.71 0.00 0.00 66.02 65.92 3dw1 s SER 15 CO 0.07 0.06 1.96 0.35 1.20 0.00 0.00 173.24 176.87 3dw1 n THR 16 N 1.79 0.00 -3.98 6.45 -2.24 -1.26 -4.88 114.28 110.16 3dw1 n THR 16 Ca -0.18 -0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 3dw1 n THR 16 Cb 0.54 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.39 3dw1 n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3dw1 s SER 17 N -2.48 0.24 0.88 3.42 1.04 -1.26 -5.11 113.70 110.43 3dw1 s SER 17 Ca 0.30 -0.50 -0.12 0.00 0.48 0.00 0.00 55.95 56.11 3dw1 s SER 17 Cb 0.20 0.10 0.12 0.00 0.10 0.00 0.00 66.02 66.54 3dw1 s SER 17 CO 0.46 -0.30 1.11 -2.16 0.98 0.00 0.00 173.24 173.33 3dw1 s PRO 18 N -1.47 1.40 0.00 4.02 0.04 -1.26 -4.47 135.00 133.27 3dw1 s PRO 18 Ca -0.16 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.42 3dw1 s PRO 18 Cb -0.10 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3dw1 s PRO 18 CO -0.01 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.37 3dw1 n GLY 19 N -1.83 0.63 3.69 0.56 0.00 -1.26 -5.07 105.19 101.90 3dw1 n GLY 19 Ca 0.07 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 3dw1 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dw1 s THR 20 N -2.00 2.37 0.00 2.61 -4.23 -1.26 -5.08 115.64 108.05 3dw1 s THR 20 Ca 0.00 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 3dw1 s THR 20 Cb 0.00 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.90 3dw1 s THR 20 CO 0.00 -0.06 0.57 -1.54 -0.54 0.00 0.00 174.62 173.04 3dw1 n SER 21 N -1.11 0.64 -4.43 3.99 3.41 -1.26 -4.72 113.62 110.13 3dw1 n SER 21 Ca -0.03 -1.28 -0.33 0.00 -0.26 0.00 0.00 58.87 56.97 3dw1 n SER 21 Cb 0.64 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.46 3dw1 n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3dw1 s THR 22 N -0.28 3.31 -0.22 6.66 2.01 -1.26 -0.63 115.64 125.22 3dw1 s THR 22 Ca 0.00 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.27 3dw1 s THR 22 Cb 0.00 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3dw1 s THR 22 CO 0.00 0.53 0.37 -0.47 -0.69 0.00 0.00 174.62 174.37 3dw1 s TYR 23 N 0.11 3.33 -0.14 4.92 5.04 -0.44 -4.51 117.35 125.66 3dw1 s TYR 23 Ca -0.04 0.53 -0.02 0.00 -2.44 0.00 0.00 57.07 55.09 3dw1 s TYR 23 Cb -0.14 -2.52 -0.03 0.00 0.35 0.00 0.00 41.96 39.62 3dw1 s TYR 23 CO 0.04 -0.07 -0.06 0.71 -1.34 0.00 0.00 175.55 174.83 3dw1 s TYR 24 N 1.52 2.97 0.01 4.97 1.51 -1.26 -0.44 117.35 126.64 3dw1 s TYR 24 Ca 0.17 -0.31 -0.26 0.00 -1.01 0.00 0.00 57.07 55.66 3dw1 s TYR 24 Cb -0.15 -1.90 0.06 0.00 -0.11 0.00 0.00 41.96 39.87 3dw1 s TYR 24 CO 0.08 -0.01 0.59 1.52 -1.11 0.00 0.00 175.55 176.62 3dw1 s TYR 25 N 0.17 -0.53 0.25 2.71 1.13 -0.71 -4.75 117.35 115.62 3dw1 s TYR 25 Ca -0.03 0.74 -0.30 0.00 -1.41 0.00 0.00 57.07 56.07 3dw1 s TYR 25 Cb -0.14 0.39 -0.10 0.00 -1.10 0.00 0.00 41.96 41.01 3dw1 s TYR 25 CO 0.03 -0.64 1.39 0.34 -2.51 0.00 0.00 175.55 174.17 3dw1 s ASP 26 N -1.68 6.72 0.64 -0.18 2.15 -1.26 -0.72 116.67 122.34 3dw1 s ASP 26 Ca -0.08 2.62 0.36 0.00 0.43 0.00 0.00 52.55 55.88 3dw1 s ASP 26 Cb -0.01 -2.62 2.01 0.00 -0.30 0.00 0.00 42.92 41.99 3dw1 s ASP 26 CO 0.03 -0.64 2.21 -0.33 -0.17 0.00 0.00 175.17 176.26 3dw1 h GLU 27 N 4.83 0.00 -0.79 4.34 4.39 -2.01 -1.62 114.58 123.73 3dw1 h GLU 27 Ca -0.46 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.33 3dw1 h GLU 27 Cb 1.22 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.81 3dw1 h GLU 27 CO 0.76 0.00 0.52 0.66 -1.16 0.00 0.00 179.01 179.78 3dw1 h SER 28 N 0.00 0.66 -5.16 1.42 4.64 -1.99 -3.46 113.55 109.66 3dw1 h SER 28 Ca 0.02 0.02 -0.40 0.00 -0.47 0.00 0.00 61.79 60.96 3dw1 h SER 28 Cb 0.24 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3dw1 h SER 28 CO -0.00 0.40 -0.60 0.00 -0.87 0.00 0.00 176.83 175.76 3dw1 n ALA 29 N -2.45 -1.06 -1.00 5.18 0.00 -0.61 -1.03 120.51 119.55 3dw1 n ALA 29 Ca 0.13 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.76 3dw1 n ALA 29 Cb 0.32 -3.49 -0.00 0.00 0.00 0.00 0.00 19.45 16.28 3dw1 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dw1 n GLY 30 N -1.39 0.43 3.71 0.00 0.00 -1.26 -0.26 105.19 106.41 3dw1 n GLY 30 Ca -0.05 -0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3dw1 n GLY 30 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3dw1 n GLN 31 N -2.45 2.42 -0.31 1.61 7.27 -0.19 -1.74 117.38 124.00 3dw1 n GLN 31 Ca -0.00 0.86 0.00 0.00 0.07 0.00 0.00 57.00 57.93 3dw1 n GLN 31 Cb 0.07 -2.61 0.00 0.00 2.41 0.00 0.00 30.24 30.11 3dw1 n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dw1 n GLY 32 N 2.50 1.18 3.99 1.69 0.00 -1.26 -4.83 105.19 108.46 3dw1 n GLY 32 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 3dw1 n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dw1 s SER 33 N -3.05 5.64 0.01 1.61 1.04 -0.71 -0.91 113.70 117.34 3dw1 s SER 33 Ca 0.00 -0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.02 3dw1 s SER 33 Cb 0.00 -0.75 -0.01 0.00 0.10 0.00 0.00 66.02 65.36 3dw1 s SER 33 CO 0.00 -0.69 -0.03 0.00 0.98 0.00 0.00 173.24 173.50 3dw1 s VAL 35 N -0.79 1.13 -0.08 0.00 1.01 0.17 -1.14 120.40 120.71 3dw1 s VAL 35 Ca -0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 3dw1 s VAL 35 Cb -0.06 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3dw1 s VAL 35 CO -0.00 0.37 0.65 -0.31 0.00 0.00 0.00 175.10 175.81 3dw1 s TYR 36 N 1.31 3.56 -0.34 5.22 1.51 0.41 -1.18 117.35 127.84 3dw1 s TYR 36 Ca -0.02 1.17 -0.06 0.00 -1.01 0.00 0.00 57.07 57.15 3dw1 s TYR 36 Cb -0.14 -2.75 0.04 0.00 -0.11 0.00 0.00 41.96 39.01 3dw1 s TYR 36 CO -0.04 0.11 0.11 0.08 -1.11 0.00 0.00 175.55 174.70 3dw1 s VAL 37 N 0.75 3.76 -0.48 0.71 1.01 0.04 -0.31 120.40 125.88 3dw1 s VAL 37 Ca 0.35 -1.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 3dw1 s VAL 37 Cb -0.17 -3.15 0.09 0.00 0.00 0.00 0.00 36.38 33.15 3dw1 s VAL 37 CO 0.16 -0.20 0.39 -0.63 0.00 0.00 0.00 175.10 174.83 3dw1 s ILE 38 N 1.39 4.98 0.00 2.22 1.01 -0.80 -1.70 121.20 128.31 3dw1 s ILE 38 Ca -0.01 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.35 3dw1 s ILE 38 Cb -0.20 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3dw1 s ILE 38 CO 0.03 -0.65 0.00 -0.67 0.00 0.00 0.00 174.94 173.64 3dw1 n ASP 39 N 5.14 1.98 -0.46 3.58 -0.08 -0.44 -4.22 116.55 122.06 3dw1 n ASP 39 Ca -0.12 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.24 3dw1 n ASP 39 Cb 0.42 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.21 3dw1 n ASP 39 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3dw1 n THR 40 N 0.00 0.23 0.00 5.18 -2.24 -1.26 -1.33 114.28 114.86 3dw1 n THR 40 Ca 0.00 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3dw1 n THR 40 Cb 0.00 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 3dw1 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dw1 n GLY 41 N 1.02 -1.65 2.79 3.38 0.00 -1.26 -4.06 105.19 105.42 3dw1 n GLY 41 Ca 0.14 -2.21 -0.15 0.00 0.00 0.00 0.00 46.02 43.80 3dw1 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dw1 s ILE 42 N -0.73 -0.02 -1.05 -0.61 1.01 -1.26 -2.78 121.20 115.76 3dw1 s ILE 42 Ca 0.00 0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.60 3dw1 s ILE 42 Cb 0.00 -0.09 0.01 0.00 0.01 0.00 0.00 42.46 42.39 3dw1 s ILE 42 CO 0.00 0.08 1.68 -0.70 0.00 0.00 0.00 174.94 176.00 3dw1 s GLU 43 N 0.92 3.27 0.54 2.79 2.12 -1.26 -4.59 118.70 122.48 3dw1 s GLU 43 Ca -0.08 -1.04 0.26 0.00 0.36 0.00 0.00 54.97 54.47 3dw1 s GLU 43 Cb -0.11 -5.30 1.54 0.00 0.26 0.00 0.00 34.13 30.52 3dw1 s GLU 43 CO -0.02 -2.70 2.14 0.00 -0.54 0.00 0.00 175.26 174.14 3dw1 h ALA 44 N 9.84 1.48 0.00 6.30 0.00 -1.96 -1.72 119.26 133.20 3dw1 h ALA 44 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dw1 h ALA 44 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3dw1 h ALA 44 CO 1.36 0.09 0.00 -1.13 0.00 0.00 0.00 179.25 179.56 3dw1 n SER 45 N -3.87 0.00 -4.69 0.00 3.41 -1.26 -4.63 113.62 102.58 3dw1 n SER 45 Ca -0.02 -0.05 -0.43 0.00 -0.26 0.00 0.00 58.87 58.10 3dw1 n SER 45 Cb 0.16 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 3dw1 n SER 45 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3dw1 n HIS 46 N -1.29 2.60 -0.17 7.33 -0.00 -0.65 -4.84 115.22 118.20 3dw1 n HIS 46 Ca 0.11 -0.10 0.28 0.00 0.46 0.00 0.00 57.72 58.48 3dw1 n HIS 46 Cb 0.20 -2.71 0.72 0.00 -0.12 0.00 0.00 29.99 28.08 3dw1 n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3dw1 h PRO 47 N 8.24 0.00 0.00 1.57 0.11 -1.91 -0.72 132.00 139.30 3dw1 h PRO 47 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dw1 h PRO 47 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3dw1 h PRO 47 CO 0.94 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 179.66 3dw1 h GLU 48 N 0.00 0.00 0.00 1.05 4.39 -1.95 -2.44 114.58 115.63 3dw1 h GLU 48 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 3dw1 h GLU 48 Cb 1.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 3dw1 h GLU 48 CO -0.00 0.01 -0.78 1.19 -1.16 0.00 0.00 179.01 178.26 3dw1 n PHE 49 N -3.19 0.38 -2.89 4.33 3.72 -0.28 -1.14 117.46 118.40 3dw1 n PHE 49 Ca -0.02 0.11 -0.20 0.00 -0.05 0.00 0.00 57.45 57.29 3dw1 n PHE 49 Cb 0.13 -0.53 0.01 0.00 -0.94 0.00 0.00 39.48 38.15 3dw1 n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3dw1 n GLU 50 N -1.99 -3.45 -0.98 -1.08 1.02 -0.92 -0.80 120.64 112.44 3dw1 n GLU 50 Ca 0.03 0.75 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 3dw1 n GLU 50 Cb 0.43 -5.49 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 3dw1 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dw1 n GLY 51 N -1.21 0.89 0.21 0.62 0.00 -1.26 -4.89 105.19 99.55 3dw1 n GLY 51 Ca -0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 3dw1 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dw1 n ARG 52 N -2.11 0.82 -4.19 1.61 1.74 0.02 -4.87 116.66 109.69 3dw1 n ARG 52 Ca 0.00 -0.42 -0.32 0.00 -0.77 0.00 0.00 57.85 56.35 3dw1 n ARG 52 Cb 0.00 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 29.87 3dw1 n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dw1 s ALA 53 N -2.47 3.36 -0.11 7.54 0.00 -1.26 -0.89 121.76 127.92 3dw1 s ALA 53 Ca 0.27 -0.99 -0.19 0.00 0.00 0.00 0.00 51.96 51.05 3dw1 s ALA 53 Cb 0.20 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 22.02 3dw1 s ALA 53 CO 0.49 0.68 0.47 -0.65 0.00 0.00 0.00 175.76 176.76 3dw1 s GLN 54 N -1.88 0.68 0.07 0.00 -0.21 -0.56 -4.81 119.66 112.96 3dw1 s GLN 54 Ca 0.23 0.37 -0.29 0.00 0.02 0.00 0.00 55.36 55.69 3dw1 s GLN 54 Cb -0.12 0.32 -0.05 0.00 1.00 0.00 0.00 33.01 34.16 3dw1 s GLN 54 CO 0.14 -0.14 0.94 -1.64 -2.12 0.00 0.00 175.29 172.46 3dw1 s MET 55 N -0.41 4.64 -0.00 2.91 -1.94 -1.26 -0.59 119.30 122.64 3dw1 s MET 55 Ca -0.06 1.38 0.03 0.00 -1.71 0.00 0.00 55.69 55.34 3dw1 s MET 55 Cb -0.03 -3.39 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 3dw1 s MET 55 CO 0.03 0.16 0.09 1.33 -0.01 0.00 0.00 175.02 176.62 3dw1 n VAL 56 N 3.05 0.00 -3.61 -6.03 0.24 -0.18 -4.85 118.33 106.96 3dw1 n VAL 56 Ca 0.02 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.00 3dw1 n VAL 56 Cb 0.50 0.60 -0.07 0.00 -1.47 0.00 0.00 33.84 33.40 3dw1 n VAL 56 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3dw1 s LYS 57 N -1.94 0.86 0.03 7.34 2.47 -1.11 -5.04 119.74 122.35 3dw1 s LYS 57 Ca -0.00 0.82 -0.02 0.00 -1.56 0.00 0.00 55.97 55.21 3dw1 s LYS 57 Cb 0.02 0.42 -0.02 0.00 -1.46 0.00 0.00 37.83 36.78 3dw1 s LYS 57 CO 0.13 -0.14 0.01 -0.08 0.16 0.00 0.00 175.35 175.42 3dw1 s THR 58 N 0.05 0.15 -0.73 3.43 -1.32 -1.26 -0.75 115.64 115.20 3dw1 s THR 58 Ca -0.02 -1.25 0.10 0.00 -1.21 0.00 0.00 61.69 59.31 3dw1 s THR 58 Cb -0.04 -0.85 0.29 0.00 -1.51 0.00 0.00 72.50 70.39 3dw1 s THR 58 CO 0.02 -0.69 1.24 -1.22 -2.21 0.00 0.00 174.62 171.76 3dw1 n TYR 59 N 0.89 0.44 -4.58 9.09 4.01 -1.07 -4.96 117.16 120.98 3dw1 n TYR 59 Ca -0.19 -0.54 -0.27 0.00 -0.16 0.00 0.00 57.90 56.74 3dw1 n TYR 59 Cb 0.58 -0.06 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 3dw1 n TYR 59 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3dw1 n TYR 60 N 0.27 0.63 0.37 -0.72 4.01 -1.26 -5.03 117.16 115.43 3dw1 n TYR 60 Ca 0.11 -2.32 0.13 0.00 -0.16 0.00 0.00 57.90 55.66 3dw1 n TYR 60 Cb 0.45 -0.17 0.54 0.00 -0.31 0.00 0.00 39.34 39.86 3dw1 n TYR 60 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 3dw1 h TYR 61 N 1.41 0.00 -4.12 -0.72 -1.99 -2.01 -3.43 116.97 106.11 3dw1 h TYR 61 Ca -0.34 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.26 3dw1 h TYR 61 Cb 1.13 0.00 -0.16 0.00 2.00 0.00 0.00 36.73 39.70 3dw1 h TYR 61 CO 0.00 0.00 -0.65 0.45 -0.00 0.00 0.00 178.16 177.96 3dw1 s SER 62 N -4.66 0.39 0.00 3.88 0.15 -1.26 -5.02 113.70 107.18 3dw1 s SER 62 Ca 0.04 -0.83 0.25 0.00 0.70 0.00 0.00 55.95 56.10 3dw1 s SER 62 Cb 0.09 0.19 0.52 0.00 -1.71 0.00 0.00 66.02 65.12 3dw1 s SER 62 CO 0.44 -0.54 1.43 -1.54 1.20 0.00 0.00 173.24 174.24 3dw1 n SER 63 N 0.47 1.81 -4.77 5.45 3.41 -1.26 -4.81 113.62 113.93 3dw1 n SER 63 Ca -0.17 -1.44 -0.41 0.00 -0.26 0.00 0.00 58.87 56.60 3dw1 n SER 63 Cb 0.60 0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.68 3dw1 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dw1 s ARG 64 N -2.26 4.32 -0.69 4.33 3.03 -1.26 -4.53 118.95 121.89 3dw1 s ARG 64 Ca 0.27 2.27 -0.27 0.00 2.03 0.00 0.00 55.73 60.02 3dw1 s ARG 64 Cb 0.20 -3.06 0.03 0.00 -1.03 0.00 0.00 34.95 31.08 3dw1 s ARG 64 CO 0.44 -0.25 1.25 0.34 -1.13 0.00 0.00 175.30 175.94 3dw1 s ASP 65 N -0.35 6.25 -0.01 -2.89 2.15 -1.26 -4.84 116.67 115.73 3dw1 s ASP 65 Ca 0.50 -0.27 0.17 0.00 0.43 0.00 0.00 52.55 53.38 3dw1 s ASP 65 Cb -0.41 -2.56 0.50 0.00 -0.30 0.00 0.00 42.92 40.16 3dw1 s ASP 65 CO 0.53 -1.72 1.41 0.61 -0.17 0.00 0.00 175.17 175.83 3dw1 n GLY 66 N 5.28 1.68 0.69 2.66 0.00 -1.26 -4.45 105.19 109.78 3dw1 n GLY 66 Ca 0.05 -0.61 -0.06 0.00 0.00 0.00 0.00 46.02 45.40 3dw1 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dw1 n ASN 67 N 1.08 1.16 0.00 1.61 2.85 -1.26 -4.92 115.26 115.79 3dw1 n ASN 67 Ca 0.19 0.18 0.00 0.00 -0.11 0.00 0.00 54.58 54.84 3dw1 n ASN 67 Cb 0.50 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 41.10 3dw1 n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3dw1 n GLY 68 N 2.60 1.01 0.33 8.20 0.00 -1.26 -4.87 105.19 111.19 3dw1 n GLY 68 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 3dw1 n GLY 68 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3dw1 h HIS 69 N 0.00 1.18 -0.83 1.61 2.07 -1.94 0.07 115.15 117.31 3dw1 h HIS 69 Ca 0.00 -0.12 -0.03 0.00 -2.85 0.00 0.00 60.37 57.37 3dw1 h HIS 69 Cb 0.00 -0.34 -0.04 0.00 2.57 0.00 0.00 27.41 29.60 3dw1 h HIS 69 CO 0.00 0.93 0.39 0.78 -3.07 0.00 0.00 177.93 176.96 3dw1 h GLY 70 N 1.11 1.28 1.16 6.13 0.00 -1.89 -1.17 103.07 109.69 3dw1 h GLY 70 Ca 0.23 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3dw1 h GLY 70 CO -0.01 0.61 0.07 -0.84 0.00 0.00 0.00 176.54 176.37 3dw1 h THR 71 N 1.18 1.26 -0.09 4.70 2.02 -1.21 -0.36 112.91 120.41 3dw1 h THR 71 Ca 0.28 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3dw1 h THR 71 Cb 0.13 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3dw1 h THR 71 CO -0.03 0.38 0.03 -0.74 0.37 0.00 0.00 175.52 175.54 3dw1 h HIS 72 N 0.96 0.15 -0.37 3.16 6.17 -0.61 -1.01 115.15 123.60 3dw1 h HIS 72 Ca 0.19 -0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.27 3dw1 h HIS 72 Cb 0.45 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 30.32 3dw1 h HIS 72 CO 0.03 0.27 0.23 0.00 0.71 0.00 0.00 177.93 179.16 3dw1 h ALA 74 N 1.15 1.52 -0.69 0.00 0.00 -0.96 -1.82 119.26 118.47 3dw1 h ALA 74 Ca 0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3dw1 h ALA 74 Cb -0.02 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3dw1 h ALA 74 CO -0.05 0.42 0.25 0.78 0.00 0.00 0.00 179.25 180.65 3dw1 h GLY 75 N 0.97 1.10 1.76 0.00 0.00 -0.52 -1.21 103.07 105.16 3dw1 h GLY 75 Ca 0.29 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 3dw1 h GLY 75 CO -0.08 0.56 -0.54 -0.84 0.00 0.00 0.00 176.54 175.64 3dw1 h THR 76 N 1.00 1.36 0.12 4.70 2.02 -0.66 -1.34 112.91 120.11 3dw1 h THR 76 Ca 0.23 -1.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 3dw1 h THR 76 Cb 0.22 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3dw1 h THR 76 CO -0.02 0.55 -0.06 0.58 0.37 0.00 0.00 175.52 176.95 3dw1 h VAL 77 N 0.19 1.02 0.00 3.16 2.07 -0.98 -0.83 116.25 120.89 3dw1 h VAL 77 Ca 0.00 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3dw1 h VAL 77 Cb 1.02 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3dw1 h VAL 77 CO 0.08 0.13 -0.12 0.61 0.02 0.00 0.00 177.57 178.30 3dw1 n GLY 78 N -0.46 0.10 3.77 2.17 0.00 -0.49 -0.72 105.19 109.56 3dw1 n GLY 78 Ca -0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3dw1 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dw1 s SER 79 N -0.24 5.11 0.21 1.61 1.04 -0.54 -4.54 113.70 116.35 3dw1 s SER 79 Ca 0.00 1.96 -0.09 0.00 0.48 0.00 0.00 55.95 58.30 3dw1 s SER 79 Cb 0.00 -2.55 0.24 0.00 0.10 0.00 0.00 66.02 63.81 3dw1 s SER 79 CO 0.00 -1.63 1.82 -0.09 0.98 0.00 0.00 173.24 174.32 3dw1 h ARG 80 N -0.06 0.73 0.07 4.02 2.43 -1.41 -0.95 114.38 119.22 3dw1 h ARG 80 Ca -0.46 -0.04 -0.37 0.00 -0.81 0.00 0.00 59.98 58.29 3dw1 h ARG 80 Cb 1.24 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 3dw1 h ARG 80 CO 0.54 0.48 -2.19 2.41 -1.51 0.00 0.00 179.97 179.71 3dw1 n THR 81 N -4.74 1.66 0.72 0.20 -1.04 -1.26 -4.55 114.28 105.26 3dw1 n THR 81 Ca 0.09 -0.63 0.09 0.00 -2.04 0.00 0.00 64.05 61.56 3dw1 n THR 81 Cb 0.15 -1.58 0.09 0.00 -1.82 0.00 0.00 70.33 67.17 3dw1 n THR 81 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3dw1 n TYR 82 N -3.38 0.04 -3.92 -1.42 4.01 -1.23 -4.73 117.16 106.53 3dw1 n TYR 82 Ca -0.37 -0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.04 3dw1 n TYR 82 Cb 1.03 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.02 3dw1 n TYR 82 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3dw1 s GLY 83 N -1.52 2.07 0.01 2.72 0.00 -0.36 -4.15 107.32 106.08 3dw1 s GLY 83 Ca 0.23 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 43.85 3dw1 s GLY 83 CO 0.23 -0.87 1.19 -2.08 0.00 0.00 0.00 173.10 171.58 3dw1 h VAL 84 N 1.97 1.42 -3.41 1.40 2.07 -0.82 -3.41 116.25 115.47 3dw1 h VAL 84 Ca -0.46 -1.70 -0.68 0.00 0.82 0.00 0.00 66.70 64.69 3dw1 h VAL 84 Cb 1.17 2.31 -0.37 0.00 -1.52 0.00 0.00 31.29 32.88 3dw1 h VAL 84 CO 0.74 0.49 -0.40 0.00 0.02 0.00 0.00 177.57 178.42 3dw1 s ALA 85 N -3.67 3.67 -1.63 1.67 0.00 0.11 -4.93 121.76 116.98 3dw1 s ALA 85 Ca -0.14 -3.45 0.24 0.00 0.00 0.00 0.00 51.96 48.60 3dw1 s ALA 85 Cb 0.04 -2.52 1.27 0.00 0.00 0.00 0.00 23.12 21.90 3dw1 s ALA 85 CO 0.77 -2.10 1.78 1.63 0.00 0.00 0.00 175.76 177.84 3dw1 n LYS 86 N 2.99 0.48 0.00 0.00 5.02 -1.03 -2.47 118.16 123.14 3dw1 n LYS 86 Ca 0.11 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3dw1 n LYS 86 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3dw1 n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dw1 n LYS 87 N -1.19 1.90 -1.35 1.97 4.01 0.64 -4.69 118.16 119.45 3dw1 n LYS 87 Ca 0.13 -1.16 -0.31 0.00 -0.51 0.00 0.00 58.31 56.46 3dw1 n LYS 87 Cb 0.15 -0.91 0.08 0.00 -0.51 0.00 0.00 35.03 33.84 3dw1 n LYS 87 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3dw1 s THR 88 N -0.68 3.36 -0.01 -0.18 -1.32 -1.03 -3.97 115.64 111.81 3dw1 s THR 88 Ca 0.00 0.47 -0.17 0.00 -1.21 0.00 0.00 61.69 60.77 3dw1 s THR 88 Cb 0.00 -2.97 -0.06 0.00 -1.51 0.00 0.00 72.50 67.97 3dw1 s THR 88 CO 0.00 -0.55 0.49 -1.10 -2.21 0.00 0.00 174.62 171.25 3dw1 s GLN 89 N -4.80 4.14 -0.14 7.08 -1.52 -1.00 -4.88 119.66 118.54 3dw1 s GLN 89 Ca 0.62 0.55 0.00 0.00 -1.95 0.00 0.00 55.36 54.57 3dw1 s GLN 89 Cb -0.17 -3.29 -0.01 0.00 -0.22 0.00 0.00 33.01 29.32 3dw1 s GLN 89 CO 0.54 0.52 -0.14 -0.51 -0.25 0.00 0.00 175.29 175.45 3dw1 s LEU 90 N -0.61 2.63 -0.17 2.90 1.43 -0.07 -0.66 118.68 124.13 3dw1 s LEU 90 Ca 0.26 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3dw1 s LEU 90 Cb -0.17 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3dw1 s LEU 90 CO 0.15 0.14 -0.19 -0.36 0.23 0.00 0.00 176.35 176.31 3dw1 s PHE 91 N 0.49 2.68 -0.08 0.29 0.08 -0.33 -1.49 117.98 119.62 3dw1 s PHE 91 Ca -0.10 -1.57 -0.17 0.00 0.12 0.00 0.00 56.93 55.22 3dw1 s PHE 91 Cb -0.16 -1.87 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3dw1 s PHE 91 CO 0.04 -0.78 0.43 0.20 -0.10 0.00 0.00 175.22 175.02 3dw1 s GLY 92 N 1.29 2.40 -0.24 4.36 0.00 0.24 -0.78 107.32 114.60 3dw1 s GLY 92 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.55 3dw1 s GLY 92 CO -0.12 0.53 -0.06 0.14 0.00 0.00 0.00 173.10 173.59 3dw1 s VAL 93 N 0.04 1.57 -0.82 1.40 1.01 -0.69 -1.01 120.40 121.90 3dw1 s VAL 93 Ca 0.24 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.77 3dw1 s VAL 93 Cb -0.15 -1.83 0.11 0.00 0.00 0.00 0.00 36.38 34.51 3dw1 s VAL 93 CO 0.11 -0.10 1.04 -0.75 0.00 0.00 0.00 175.10 175.40 3dw1 s LYS 94 N 1.37 3.40 0.00 2.72 2.20 0.07 -1.33 119.74 128.18 3dw1 s LYS 94 Ca -0.06 -1.44 0.22 0.00 -0.36 0.00 0.00 55.97 54.33 3dw1 s LYS 94 Cb -0.19 -4.65 -0.13 0.00 -1.51 0.00 0.00 37.83 31.35 3dw1 s LYS 94 CO -0.06 -1.76 0.89 1.33 -0.36 0.00 0.00 175.35 175.39 3dw1 n VAL 95 N 5.63 0.03 -4.64 4.02 0.24 -0.44 -2.61 118.33 120.55 3dw1 n VAL 95 Ca 0.12 -0.14 -0.34 0.00 -2.04 0.00 0.00 64.34 61.95 3dw1 n VAL 95 Cb 0.47 0.61 -0.11 0.00 -1.47 0.00 0.00 33.84 33.34 3dw1 n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dw1 s LEU 96 N -3.45 3.14 0.00 1.34 1.43 -0.62 -4.52 118.68 116.00 3dw1 s LEU 96 Ca 0.05 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.94 3dw1 s LEU 96 Cb 0.15 -1.68 0.25 0.00 0.03 0.00 0.00 46.19 44.95 3dw1 s LEU 96 CO 0.85 0.36 1.17 -0.90 0.23 0.00 0.00 176.35 178.07 3dw1 n ASP 97 N 2.23 -0.90 0.00 2.29 5.68 0.11 -4.37 116.55 121.59 3dw1 n ASP 97 Ca -0.18 -1.31 0.08 0.00 -0.50 0.00 0.00 54.79 52.88 3dw1 n ASP 97 Cb 0.53 -0.97 0.37 0.00 -1.14 0.00 0.00 41.12 39.90 3dw1 n ASP 97 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3dw1 n ASP 98 N -4.28 0.00 -0.40 -1.12 8.00 -1.26 -0.60 116.55 116.90 3dw1 n ASP 98 Ca 0.15 0.35 0.13 0.00 0.71 0.00 0.00 54.79 56.13 3dw1 n ASP 98 Cb 0.56 -0.43 0.45 0.00 -0.02 0.00 0.00 41.12 41.68 3dw1 n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dw1 n ASN 99 N -1.43 1.35 0.00 -2.24 5.03 -1.26 -4.26 115.26 112.45 3dw1 n ASN 99 Ca 0.05 -1.26 0.00 0.00 0.87 0.00 0.00 54.58 54.24 3dw1 n ASN 99 Cb 0.17 0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.99 3dw1 n ASN 99 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3dw1 n GLY 100 N 1.25 0.57 3.80 7.41 0.00 0.23 -5.06 105.19 113.40 3dw1 n GLY 100 Ca 0.16 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 3dw1 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dw1 s SER 101 N -2.22 5.55 -0.27 1.61 0.01 -1.26 -4.79 113.70 112.33 3dw1 s SER 101 Ca 0.00 -0.10 -0.23 0.00 1.31 0.00 0.00 55.95 56.93 3dw1 s SER 101 Cb 0.00 -1.47 0.08 0.00 0.21 0.00 0.00 66.02 64.85 3dw1 s SER 101 CO 0.00 0.09 0.77 -0.83 0.41 0.00 0.00 173.24 173.68 3dw1 s GLY 102 N -2.98 -0.48 0.39 3.44 0.00 -1.26 0.06 107.32 106.49 3dw1 s GLY 102 Ca 0.31 2.25 -0.26 0.00 0.00 0.00 0.00 44.72 47.02 3dw1 s GLY 102 CO 0.23 1.92 1.23 1.20 0.00 0.00 0.00 173.10 177.69 3dw1 s GLN 103 N 0.64 4.07 0.37 2.90 1.11 -1.26 -4.89 119.66 122.59 3dw1 s GLN 103 Ca -0.02 1.99 0.09 0.00 0.01 0.00 0.00 55.36 57.43 3dw1 s GLN 103 Cb -0.05 -2.76 0.83 0.00 -1.01 0.00 0.00 33.01 30.02 3dw1 s GLN 103 CO -0.05 -0.35 1.92 1.88 0.01 0.00 0.00 175.29 178.70 3dw1 h TYR 104 N 2.77 0.72 -0.66 0.91 0.05 -1.99 -1.00 116.97 117.77 3dw1 h TYR 104 Ca -0.49 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.30 3dw1 h TYR 104 Cb 1.24 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 38.71 3dw1 h TYR 104 CO 0.54 0.32 0.35 1.03 -1.05 0.00 0.00 178.16 179.36 3dw1 h SER 105 N 0.66 0.81 -0.25 3.88 0.87 -1.99 0.53 113.55 118.06 3dw1 h SER 105 Ca 0.37 -0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.71 3dw1 h SER 105 Cb 0.53 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 3dw1 h SER 105 CO -0.14 0.66 -0.42 0.74 -0.53 0.00 0.00 176.83 177.14 3dw1 h THR 106 N 0.92 1.30 -0.56 2.23 2.02 -1.58 -1.79 112.91 115.44 3dw1 h THR 106 Ca 0.23 -1.63 -0.00 0.00 0.77 0.00 0.00 66.41 65.78 3dw1 h THR 106 Cb 0.03 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.14 3dw1 h THR 106 CO -0.04 0.52 0.34 0.40 0.37 0.00 0.00 175.52 177.11 3dw1 h ILE 107 N 0.46 1.17 -0.54 3.11 2.04 -0.95 -0.68 117.51 122.12 3dw1 h ILE 107 Ca 0.02 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 3dw1 h ILE 107 Cb 1.02 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3dw1 h ILE 107 CO 0.10 0.18 0.29 0.40 0.00 0.00 0.00 178.15 179.12 3dw1 h ILE 108 N 0.76 1.18 -0.91 -0.67 2.04 -0.89 -1.72 117.51 117.31 3dw1 h ILE 108 Ca 0.20 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.63 3dw1 h ILE 108 Cb -0.01 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3dw1 h ILE 108 CO -0.04 0.20 0.59 0.00 0.00 0.00 0.00 178.15 178.90 3dw1 h ALA 109 N 1.13 1.21 -0.71 1.87 0.00 -0.96 -1.73 119.26 120.07 3dw1 h ALA 109 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3dw1 h ALA 109 Cb 0.05 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3dw1 h ALA 109 CO -0.03 0.45 0.26 0.78 0.00 0.00 0.00 179.25 180.71 3dw1 h GLY 110 N 1.14 1.14 0.89 0.00 0.00 -0.57 0.53 103.07 106.20 3dw1 h GLY 110 Ca 0.37 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3dw1 h GLY 110 CO -0.12 0.59 -0.04 -0.33 0.00 0.00 0.00 176.54 176.64 3dw1 h MET 111 N 1.03 0.56 -0.17 4.80 2.07 -0.87 -2.05 114.93 120.30 3dw1 h MET 111 Ca 0.23 -0.20 -0.07 0.00 -2.07 0.00 0.00 59.70 57.60 3dw1 h MET 111 Cb 0.23 -0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 29.91 3dw1 h MET 111 CO -0.02 0.73 -0.19 -0.44 1.07 0.00 0.00 176.91 178.06 3dw1 h ASP 112 N 0.34 0.27 -0.27 1.22 3.32 -1.14 -2.21 116.42 117.96 3dw1 h ASP 112 Ca 0.08 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3dw1 h ASP 112 Cb 0.50 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3dw1 h ASP 112 CO 0.02 0.48 0.10 0.15 -1.72 0.00 0.00 179.24 178.27 3dw1 h PHE 113 N 0.26 0.18 -0.73 4.55 3.04 -0.63 -2.75 116.94 120.85 3dw1 h PHE 113 Ca 0.05 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.96 3dw1 h PHE 113 Cb 0.49 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.93 3dw1 h PHE 113 CO 0.01 0.08 0.26 0.28 -2.02 0.00 0.00 178.31 176.92 3dw1 h VAL 114 N 0.22 1.25 -0.42 1.41 2.07 -0.88 0.37 116.25 120.28 3dw1 h VAL 114 Ca 0.12 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3dw1 h VAL 114 Cb 0.08 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3dw1 h VAL 114 CO -0.11 0.34 0.28 0.00 0.02 0.00 0.00 177.57 178.09 3dw1 h ALA 115 N 1.20 1.76 0.10 1.67 0.00 -1.15 -2.23 119.26 120.61 3dw1 h ALA 115 Ca 0.24 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.86 3dw1 h ALA 115 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3dw1 h ALA 115 CO -0.01 0.20 -1.37 1.03 0.00 0.00 0.00 179.25 179.10 3dw1 h SER 116 N 0.52 0.33 0.01 0.00 0.87 -1.18 -3.39 113.55 110.71 3dw1 h SER 116 Ca 0.16 -0.83 -0.00 0.00 -1.23 0.00 0.00 61.79 59.89 3dw1 h SER 116 Cb 0.02 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3dw1 h SER 116 CO -0.04 1.59 -0.01 -0.78 -0.53 0.00 0.00 176.83 177.07 3dw1 h ASP 117 N -0.38 0.00 -0.09 6.23 3.58 0.00 -1.25 116.42 124.52 3dw1 h ASP 117 Ca -0.30 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.17 3dw1 h ASP 117 Cb 1.70 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.75 3dw1 h ASP 117 CO 0.03 0.01 0.10 0.07 -2.88 0.00 0.00 179.24 176.57 3dw1 h LYS 118 N 0.00 0.00 0.00 0.28 2.10 -1.61 0.24 116.57 117.58 3dw1 h LYS 118 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dw1 h LYS 118 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3dw1 h LYS 118 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 3dw1 n ASN 119 N -3.86 0.00 -0.93 7.07 5.03 -0.47 -2.24 115.26 119.86 3dw1 n ASN 119 Ca -0.01 0.19 0.09 0.00 0.87 0.00 0.00 54.58 55.72 3dw1 n ASN 119 Cb 0.20 -0.37 0.20 0.00 -1.02 0.00 0.00 39.78 38.79 3dw1 n ASN 119 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3dw1 n ASN 120 N -1.37 3.23 -4.39 6.41 3.02 0.83 -5.00 115.26 117.99 3dw1 n ASN 120 Ca 0.08 -1.94 -0.21 0.00 -0.03 0.00 0.00 54.58 52.48 3dw1 n ASN 120 Cb 0.19 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 38.97 3dw1 n ASN 120 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3dw1 s ARG 121 N -1.10 1.45 -0.47 3.52 1.81 -0.95 -5.11 118.95 118.10 3dw1 s ARG 121 Ca 0.33 -1.63 -0.14 0.00 -1.72 0.00 0.00 55.73 52.58 3dw1 s ARG 121 Cb 0.18 -1.39 0.09 0.00 -0.45 0.00 0.00 34.95 33.38 3dw1 s ARG 121 CO 0.24 0.25 0.38 1.21 -0.68 0.00 0.00 175.30 176.70 3dw1 s ASN 122 N -3.28 5.99 -0.40 0.23 2.47 -1.26 -4.94 114.94 113.75 3dw1 s ASN 122 Ca 0.24 -1.49 0.10 0.00 0.42 0.00 0.00 52.86 52.13 3dw1 s ASN 122 Cb -0.03 -2.13 0.31 0.00 -1.45 0.00 0.00 41.25 37.95 3dw1 s ASN 122 CO 0.10 -0.66 0.66 0.00 -3.72 0.00 0.00 177.10 173.48 3dw1 h PRO 124 N 3.41 0.00 0.00 0.00 0.13 -1.79 -1.29 132.00 132.45 3dw1 h PRO 124 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3dw1 h PRO 124 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3dw1 h PRO 124 CO 0.51 0.00 -0.52 1.63 -0.23 0.00 0.00 178.00 179.40 3dw1 n LYS 125 N -4.07 0.19 0.00 0.86 4.76 -0.08 -5.03 118.16 114.79 3dw1 n LYS 125 Ca -0.02 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3dw1 n LYS 125 Cb 0.13 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 3dw1 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dw1 n GLY 126 N 1.39 3.17 3.12 0.72 0.00 -0.49 -4.40 105.19 108.70 3dw1 n GLY 126 Ca 0.04 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 3dw1 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dw1 s VAL 127 N -2.08 1.31 0.10 1.61 1.01 -1.26 -1.82 120.40 119.26 3dw1 s VAL 127 Ca 0.00 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.39 3dw1 s VAL 127 Cb 0.00 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3dw1 s VAL 127 CO 0.00 0.38 -0.18 -0.69 0.00 0.00 0.00 175.10 174.61 3dw1 s VAL 128 N -0.02 1.49 -0.04 2.92 1.01 -0.29 -1.29 120.40 124.18 3dw1 s VAL 128 Ca -0.02 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.46 3dw1 s VAL 128 Cb -0.10 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.85 3dw1 s VAL 128 CO 0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 175.10 174.81 3dw1 s ALA 129 N -1.41 1.16 -0.24 5.51 0.00 0.22 -0.45 121.76 126.55 3dw1 s ALA 129 Ca 0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 3dw1 s ALA 129 Cb -0.09 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.59 3dw1 s ALA 129 CO 0.04 0.17 -0.03 0.45 0.00 0.00 0.00 175.76 176.39 3dw1 s SER 130 N 0.31 4.44 -0.57 0.00 0.15 0.58 -1.12 113.70 117.49 3dw1 s SER 130 Ca -0.07 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.01 3dw1 s SER 130 Cb -0.12 -1.74 0.15 0.00 -1.71 0.00 0.00 66.02 62.60 3dw1 s SER 130 CO 0.02 -0.08 0.35 -0.76 1.20 0.00 0.00 173.24 173.97 3dw1 s LEU 131 N 1.44 4.72 -1.25 3.45 1.43 -0.06 -1.90 118.68 126.51 3dw1 s LEU 131 Ca 0.04 -2.98 -0.06 0.00 -1.03 0.00 0.00 54.13 50.10 3dw1 s LEU 131 Cb -0.15 -1.73 0.18 0.00 0.03 0.00 0.00 46.19 44.51 3dw1 s LEU 131 CO -0.03 -0.28 2.06 -1.20 0.23 0.00 0.00 176.35 177.13 3dw1 n SER 132 N 3.23 6.82 -3.87 2.29 7.64 -1.26 -1.86 113.62 126.62 3dw1 n SER 132 Ca 0.07 -3.22 -0.08 0.00 1.01 0.00 0.00 58.87 56.65 3dw1 n SER 132 Cb 0.35 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 3dw1 n SER 132 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 3dw1 s LEU 133 N -1.79 -0.10 0.00 -3.43 0.05 -1.26 -4.86 118.68 107.29 3dw1 s LEU 133 Ca 0.45 -0.71 0.00 0.00 0.05 0.00 0.00 54.13 53.92 3dw1 s LEU 133 Cb 0.14 2.48 0.00 0.00 -2.05 0.00 0.00 46.19 46.76 3dw1 s LEU 133 CO -0.04 -1.31 0.00 0.61 -0.55 0.00 0.00 176.35 175.06 3dw1 n GLY 134 N -0.44 1.16 0.00 -3.48 0.00 -1.26 -4.51 105.19 96.66 3dw1 n GLY 134 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3dw1 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dw1 n GLY 135 N -0.55 3.25 3.69 -0.02 0.00 -0.51 -4.99 105.19 106.06 3dw1 n GLY 135 Ca 0.00 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 3dw1 n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dw1 s GLY 136 N 0.00 1.68 0.15 -0.02 0.00 -1.26 -0.90 107.32 106.96 3dw1 s GLY 136 Ca 0.00 0.44 -0.34 0.00 0.00 0.00 0.00 44.72 44.82 3dw1 s GLY 136 CO 0.00 0.86 1.42 2.98 0.00 0.00 0.00 173.10 178.36 3dw1 n TYR 137 N -4.07 1.88 -3.65 1.90 9.36 -0.72 -3.71 117.16 118.15 3dw1 n TYR 137 Ca 0.10 0.47 -0.15 0.00 3.32 0.00 0.00 57.90 61.64 3dw1 n TYR 137 Cb 0.53 -2.43 -0.14 0.00 -0.63 0.00 0.00 39.34 36.67 3dw1 n TYR 137 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3dw1 s SER 138 N 0.57 0.60 0.43 2.98 0.15 -1.26 -4.92 113.70 112.25 3dw1 s SER 138 Ca 0.79 0.42 0.10 0.00 0.70 0.00 0.00 55.95 57.95 3dw1 s SER 138 Cb -0.79 0.51 0.93 0.00 -1.71 0.00 0.00 66.02 64.96 3dw1 s SER 138 CO 0.44 -0.25 2.03 0.77 1.20 0.00 0.00 173.24 177.43 3dw1 h SER 139 N 8.32 0.28 -0.35 5.45 4.64 -1.99 -1.59 113.55 128.31 3dw1 h SER 139 Ca -0.14 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 3dw1 h SER 139 Cb 1.12 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3dw1 h SER 139 CO 0.15 0.28 -0.24 0.28 -0.87 0.00 0.00 176.83 176.42 3dw1 h SER 140 N 0.32 0.83 -0.37 4.97 0.02 -1.99 -0.09 113.55 117.24 3dw1 h SER 140 Ca 0.08 -0.43 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3dw1 h SER 140 Cb 0.10 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3dw1 h SER 140 CO -0.01 1.08 0.11 0.58 -1.14 0.00 0.00 176.83 177.45 3dw1 h VAL 141 N 0.57 1.22 -0.67 2.27 2.07 -1.88 -1.73 116.25 118.09 3dw1 h VAL 141 Ca 0.07 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 3dw1 h VAL 141 Cb 0.81 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3dw1 h VAL 141 CO 0.07 0.25 0.40 0.78 0.02 0.00 0.00 177.57 179.09 3dw1 h ASN 142 N 0.45 0.81 -0.73 0.57 4.21 -1.21 -2.11 115.58 117.57 3dw1 h ASN 142 Ca 0.12 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.54 3dw1 h ASN 142 Cb 0.27 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.23 3dw1 h ASN 142 CO -0.00 0.64 0.36 -1.28 -1.29 0.00 0.00 177.43 175.85 3dw1 h SER 143 N 0.92 0.96 -0.51 5.81 0.87 -0.86 -0.16 113.55 120.58 3dw1 h SER 143 Ca 0.24 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3dw1 h SER 143 Cb -0.02 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 3dw1 h SER 143 CO -0.04 0.82 0.23 0.00 -0.53 0.00 0.00 176.83 177.30 3dw1 h ALA 144 N 1.33 0.66 -0.72 6.23 0.00 -0.96 0.15 119.26 125.95 3dw1 h ALA 144 Ca 0.26 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3dw1 h ALA 144 Cb 0.11 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3dw1 h ALA 144 CO -0.03 0.24 0.21 0.00 0.00 0.00 0.00 179.25 179.67 3dw1 h ALA 145 N 1.07 1.01 -0.73 0.00 0.00 -0.92 -1.42 119.26 118.26 3dw1 h ALA 145 Ca 0.17 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3dw1 h ALA 145 Cb 0.15 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3dw1 h ALA 145 CO -0.02 0.66 0.26 0.00 0.00 0.00 0.00 179.25 180.15 3dw1 h ALA 146 N 1.14 0.95 -0.54 0.00 0.00 -0.75 -1.58 119.26 118.49 3dw1 h ALA 146 Ca 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3dw1 h ALA 146 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3dw1 h ALA 146 CO -0.00 0.61 0.25 0.00 0.00 0.00 0.00 179.25 180.11 3dw1 h ARG 147 N 1.07 0.77 -0.35 0.00 3.08 -0.62 -0.08 114.38 118.26 3dw1 h ARG 147 Ca 0.24 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3dw1 h ARG 147 Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3dw1 h ARG 147 CO -0.01 0.64 0.23 1.25 -1.07 0.00 0.00 179.97 181.01 3dw1 h LEU 148 N 0.72 0.40 -0.14 3.04 5.85 -1.00 -0.48 115.31 123.69 3dw1 h LEU 148 Ca 0.18 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.90 3dw1 h LEU 148 Cb 0.12 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3dw1 h LEU 148 CO -0.02 0.29 0.08 -0.61 -0.34 0.00 0.00 178.44 177.84 3dw1 h GLN 149 N 0.47 0.16 -0.34 1.25 5.75 -1.13 -2.71 115.11 118.55 3dw1 h GLN 149 Ca 0.13 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.67 3dw1 h GLN 149 Cb -0.05 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3dw1 h GLN 149 CO -0.03 0.11 0.23 0.66 -2.65 0.00 0.00 178.83 177.15 3dw1 h SER 150 N 0.17 0.23 0.52 -0.69 4.64 -0.59 -1.45 113.55 116.37 3dw1 h SER 150 Ca 0.06 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dw1 h SER 150 Cb -0.00 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3dw1 h SER 150 CO -0.03 0.15 0.00 -1.54 -0.87 0.00 0.00 176.83 174.54 3dw1 n SER 151 N -4.48 0.04 0.00 4.97 3.41 -0.23 -4.83 113.62 112.51 3dw1 n SER 151 Ca 0.04 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3dw1 n SER 151 Cb 0.23 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 3dw1 n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dw1 n GLY 152 N 0.02 1.91 3.34 5.00 0.00 -0.55 -5.10 105.19 109.81 3dw1 n GLY 152 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3dw1 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dw1 s VAL 153 N -2.00 2.77 -0.41 1.61 1.01 -1.19 -4.55 120.40 117.64 3dw1 s VAL 153 Ca 0.00 -0.77 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 3dw1 s VAL 153 Cb 0.00 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3dw1 s VAL 153 CO 0.00 0.54 1.43 -0.32 0.00 0.00 0.00 175.10 176.75 3dw1 s MET 154 N 0.19 3.56 -0.27 2.72 1.75 -0.41 -4.06 119.30 122.77 3dw1 s MET 154 Ca -0.10 0.95 -0.12 0.00 -1.25 0.00 0.00 55.69 55.18 3dw1 s MET 154 Cb -0.16 -4.03 -0.05 0.00 2.84 0.00 0.00 34.83 33.43 3dw1 s MET 154 CO 0.06 -1.58 0.21 0.08 -0.65 0.00 0.00 175.02 173.14 3dw1 s VAL 155 N 5.50 5.30 -0.15 10.11 1.01 -1.26 -0.61 120.40 140.29 3dw1 s VAL 155 Ca 0.62 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.81 3dw1 s VAL 155 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3dw1 s VAL 155 CO 0.33 0.25 -0.09 0.00 0.00 0.00 0.00 175.10 175.58 3dw1 s ALA 156 N 1.71 2.75 0.05 5.51 0.00 -0.27 -0.85 121.76 130.66 3dw1 s ALA 156 Ca 0.08 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.19 3dw1 s ALA 156 Cb -0.16 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 3dw1 s ALA 156 CO 0.10 0.14 -0.16 0.14 0.00 0.00 0.00 175.76 175.98 3dw1 s VAL 157 N 0.52 1.26 0.31 0.00 -7.23 0.12 -0.88 120.40 114.51 3dw1 s VAL 157 Ca -0.07 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.65 3dw1 s VAL 157 Cb -0.15 -1.15 -0.10 0.00 0.56 0.00 0.00 36.38 35.54 3dw1 s VAL 157 CO 0.03 -0.03 1.27 0.00 -0.31 0.00 0.00 175.10 176.07 3dw1 s ALA 158 N -0.98 3.49 0.32 1.32 0.00 -0.78 -0.81 121.76 124.32 3dw1 s ALA 158 Ca 0.02 1.19 0.12 0.00 0.00 0.00 0.00 51.96 53.29 3dw1 s ALA 158 Cb -0.09 -3.45 0.55 0.00 0.00 0.00 0.00 23.12 20.13 3dw1 s ALA 158 CO 0.02 -0.55 1.72 0.00 0.00 0.00 0.00 175.76 176.95 3dw1 h ALA 159 N 3.65 1.17 0.00 0.00 0.00 -1.34 -3.39 119.26 119.36 3dw1 h ALA 159 Ca -0.48 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3dw1 h ALA 159 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dw1 h ALA 159 CO 0.67 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.94 3dw1 n GLY 160 N -0.10 2.73 1.86 0.00 0.00 -1.26 -4.72 105.19 103.70 3dw1 n GLY 160 Ca -0.01 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.84 3dw1 n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dw1 n ASN 161 N 0.00 4.90 -0.93 1.61 3.02 -1.26 -1.06 115.26 121.54 3dw1 n ASN 161 Ca 0.00 -3.78 0.10 0.00 -0.03 0.00 0.00 54.58 50.88 3dw1 n ASN 161 Cb 0.00 -0.54 0.14 0.00 -0.61 0.00 0.00 39.78 38.78 3dw1 n ASN 161 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dw1 n ASN 162 N -0.85 3.02 -4.08 6.41 3.02 -1.01 -4.78 115.26 117.00 3dw1 n ASN 162 Ca 0.45 -1.90 -0.30 0.00 -0.03 0.00 0.00 54.58 52.80 3dw1 n ASN 162 Cb 0.90 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 3dw1 n ASN 162 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dw1 n ASN 163 N 1.23 -1.44 -3.89 6.41 4.05 -0.31 -4.93 115.26 116.37 3dw1 n ASN 163 Ca 0.15 -1.02 -0.14 0.00 0.45 0.00 0.00 54.58 54.02 3dw1 n ASN 163 Cb 0.53 -2.87 -0.09 0.00 1.23 0.00 0.00 39.78 38.59 3dw1 n ASN 163 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3dw1 s ALA 164 N -3.73 1.20 -0.03 5.20 0.00 -1.26 -4.93 121.76 118.20 3dw1 s ALA 164 Ca 0.29 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.24 3dw1 s ALA 164 Cb -0.16 1.37 -0.05 0.00 0.00 0.00 0.00 23.12 24.28 3dw1 s ALA 164 CO 0.91 -0.65 1.41 0.34 0.00 0.00 0.00 175.76 177.77 3dw1 s ASP 165 N -3.21 6.85 0.00 0.00 -1.08 -1.26 -1.42 116.67 116.55 3dw1 s ASP 165 Ca 0.37 2.06 0.13 0.00 -0.52 0.00 0.00 52.55 54.59 3dw1 s ASP 165 Cb 0.05 -2.55 0.61 0.00 -1.46 0.00 0.00 42.92 39.56 3dw1 s ASP 165 CO 0.16 -0.75 1.35 0.00 0.52 0.00 0.00 175.17 176.45 3dw1 n ALA 166 N 5.79 1.69 0.28 3.66 0.00 0.34 -3.06 120.51 129.21 3dw1 n ALA 166 Ca 0.14 -0.05 0.18 0.00 0.00 0.00 0.00 53.44 53.71 3dw1 n ALA 166 Cb 0.44 -1.20 0.96 0.00 0.00 0.00 0.00 19.45 19.64 3dw1 n ALA 166 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3dw1 h ARG 167 N 0.00 0.00 -0.64 0.00 0.11 -1.90 -2.09 114.38 109.85 3dw1 h ARG 167 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dw1 h ARG 167 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3dw1 h ARG 167 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 3dw1 n ASN 168 N -3.39 4.12 -4.16 0.08 5.03 -1.17 -4.79 115.26 110.97 3dw1 n ASN 168 Ca -0.01 -2.33 -0.16 0.00 0.87 0.00 0.00 54.58 52.94 3dw1 n ASN 168 Cb 0.24 -0.53 -0.11 0.00 -1.02 0.00 0.00 39.78 38.36 3dw1 n ASN 168 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3dw1 s TYR 169 N -1.71 1.11 0.02 3.10 2.02 -0.79 -1.75 117.35 119.35 3dw1 s TYR 169 Ca 0.45 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 3dw1 s TYR 169 Cb 0.28 -0.62 -0.02 0.00 -0.40 0.00 0.00 41.96 41.20 3dw1 s TYR 169 CO 0.23 0.03 -0.13 -1.12 -1.57 0.00 0.00 175.55 172.99 3dw1 s SER 170 N -2.00 1.51 0.00 2.29 0.01 -0.07 -1.06 113.70 114.38 3dw1 s SER 170 Ca 0.00 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 56.95 3dw1 s SER 170 Cb -0.07 -0.11 0.39 0.00 0.21 0.00 0.00 66.02 66.44 3dw1 s SER 170 CO 0.01 0.06 1.22 -0.81 0.41 0.00 0.00 173.24 174.13 3dw1 n PRO 171 N 2.17 0.97 -0.35 12.44 -0.04 -1.26 -1.42 135.00 147.51 3dw1 n PRO 171 Ca -0.17 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.46 3dw1 n PRO 171 Cb 0.55 -1.11 0.39 0.00 -0.04 0.00 0.00 33.50 33.29 3dw1 n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dw1 h ALA 172 N 3.15 1.80 -0.00 0.55 0.00 -1.75 -1.44 119.26 121.57 3dw1 h ALA 172 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dw1 h ALA 172 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3dw1 h ALA 172 CO 0.00 -0.26 -0.02 -1.13 0.00 0.00 0.00 179.25 177.84 3dw1 n SER 173 N -4.85 0.24 -4.65 0.00 3.41 -0.22 -4.79 113.62 102.75 3dw1 n SER 173 Ca 0.26 -0.84 -0.43 0.00 -0.26 0.00 0.00 58.87 57.61 3dw1 n SER 173 Cb 0.73 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 3dw1 n SER 173 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3dw1 s GLU 174 N -2.17 4.11 0.41 4.33 2.56 -0.54 -4.91 118.70 122.48 3dw1 s GLU 174 Ca 0.40 1.80 0.07 0.00 0.00 0.00 0.00 54.97 57.25 3dw1 s GLU 174 Cb 0.21 -3.90 0.87 0.00 2.00 0.00 0.00 34.13 33.31 3dw1 s GLU 174 CO 0.40 -0.90 2.06 -1.35 -0.56 0.00 0.00 175.26 174.91 3dw1 h PRO 175 N 9.22 0.53 -0.00 4.30 0.11 -1.89 -3.16 132.00 141.10 3dw1 h PRO 175 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3dw1 h PRO 175 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3dw1 h PRO 175 CO 0.98 0.35 -0.13 -1.13 -0.21 0.00 0.00 178.00 177.85 3dw1 n SER 176 N -4.48 0.24 -4.97 -2.05 3.41 -1.26 -4.83 113.62 99.68 3dw1 n SER 176 Ca 0.03 -0.04 -0.19 0.00 -0.26 0.00 0.00 58.87 58.40 3dw1 n SER 176 Cb 0.06 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 63.82 3dw1 n SER 176 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3dw1 s VAL 177 N -2.79 2.62 -0.44 -3.33 -7.23 -1.20 -4.96 120.40 103.07 3dw1 s VAL 177 Ca 0.20 -1.14 -0.17 0.00 -1.81 0.00 0.00 61.98 59.06 3dw1 s VAL 177 Cb 0.19 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.41 3dw1 s VAL 177 CO 0.54 0.00 0.46 0.00 -0.31 0.00 0.00 175.10 175.79 3dw1 s THR 179 N 2.16 5.24 -0.21 0.00 2.01 -1.26 -0.70 115.64 122.87 3dw1 s THR 179 Ca 0.12 0.57 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 3dw1 s THR 179 Cb -0.18 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.67 3dw1 s THR 179 CO 0.13 0.27 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.56 3dw1 s VAL 180 N 1.27 2.99 0.66 3.82 1.01 0.01 -1.02 120.40 129.14 3dw1 s VAL 180 Ca 0.16 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.44 3dw1 s VAL 180 Cb -0.14 -2.36 0.06 0.00 0.00 0.00 0.00 36.38 33.94 3dw1 s VAL 180 CO 0.07 0.42 0.93 -0.83 0.00 0.00 0.00 175.10 175.69 3dw1 s GLY 181 N 1.41 1.76 -0.03 4.51 0.00 -0.01 -0.97 107.32 113.99 3dw1 s GLY 181 Ca 0.05 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.61 3dw1 s GLY 181 CO -0.06 -0.81 -0.13 0.00 0.00 0.00 0.00 173.10 172.10 3dw1 s ALA 182 N -3.07 2.73 0.31 3.20 0.00 -1.26 -1.05 121.76 122.62 3dw1 s ALA 182 Ca 0.60 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 51.63 3dw1 s ALA 182 Cb -0.10 -0.97 -0.06 0.00 0.00 0.00 0.00 23.12 21.99 3dw1 s ALA 182 CO 0.42 0.57 -0.09 -1.54 0.00 0.00 0.00 175.76 175.13 3dw1 s SER 183 N -0.96 3.28 0.53 0.00 1.04 -0.16 -0.76 113.70 116.66 3dw1 s SER 183 Ca 0.13 -1.18 0.06 0.00 0.48 0.00 0.00 55.95 55.44 3dw1 s SER 183 Cb -0.11 -0.26 0.04 0.00 0.10 0.00 0.00 66.02 65.78 3dw1 s SER 183 CO 0.02 -0.25 0.45 1.51 0.98 0.00 0.00 173.24 175.95 3dw1 s ASP 184 N -3.53 4.73 0.08 7.02 1.47 0.17 -0.72 116.67 125.90 3dw1 s ASP 184 Ca 0.31 -1.13 0.17 0.00 1.18 0.00 0.00 52.55 53.08 3dw1 s ASP 184 Cb 0.03 0.26 0.74 0.00 -0.34 0.00 0.00 42.92 43.61 3dw1 s ASP 184 CO 0.14 -1.07 1.55 -1.14 0.68 0.00 0.00 175.17 175.33 3dw1 n ARG 185 N -1.79 0.06 -0.70 2.11 0.63 -1.26 -1.16 116.66 114.55 3dw1 n ARG 185 Ca 0.01 0.30 0.08 0.00 -0.92 0.00 0.00 57.85 57.32 3dw1 n ARG 185 Cb 0.64 -1.62 0.35 0.00 0.45 0.00 0.00 32.46 32.27 3dw1 n ARG 185 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3dw1 n TYR 186 N -1.74 1.60 -2.63 -0.14 4.01 -1.26 -4.40 117.16 112.60 3dw1 n TYR 186 Ca 0.03 -0.77 -0.19 0.00 -0.16 0.00 0.00 57.90 56.81 3dw1 n TYR 186 Cb 0.19 -0.41 0.01 0.00 -0.31 0.00 0.00 39.34 38.82 3dw1 n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3dw1 n ASP 187 N 0.26 -5.49 -4.89 7.72 8.00 -0.31 -4.89 116.55 116.94 3dw1 n ASP 187 Ca 0.25 -0.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.28 3dw1 n ASP 187 Cb 1.05 -4.44 -0.05 0.00 -0.02 0.00 0.00 41.12 37.66 3dw1 n ASP 187 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dw1 s ARG 188 N -5.23 3.50 0.19 -1.24 0.52 -1.26 -0.61 118.95 114.82 3dw1 s ARG 188 Ca 0.13 -0.20 -0.33 0.00 -0.52 0.00 0.00 55.73 54.80 3dw1 s ARG 188 Cb -0.06 -3.09 -0.14 0.00 0.52 0.00 0.00 34.95 32.19 3dw1 s ARG 188 CO 0.16 0.67 1.52 -2.13 0.02 0.00 0.00 175.30 175.54 3dw1 n ARG 189 N 1.06 2.13 -1.75 3.54 0.63 -0.44 -0.66 116.66 121.17 3dw1 n ARG 189 Ca -0.11 0.76 -0.41 0.00 -0.92 0.00 0.00 57.85 57.17 3dw1 n ARG 189 Cb 0.53 -2.50 0.01 0.00 0.45 0.00 0.00 32.46 30.95 3dw1 n ARG 189 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3dw1 n SER 190 N 2.98 3.34 0.10 6.15 7.64 0.06 -4.75 113.62 129.14 3dw1 n SER 190 Ca 0.15 1.18 0.13 0.00 1.01 0.00 0.00 58.87 61.33 3dw1 n SER 190 Cb 0.30 -1.58 0.62 0.00 -1.01 0.00 0.00 64.21 62.54 3dw1 n SER 190 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3dw1 h SER 191 N 2.58 0.09 0.29 6.43 4.64 -1.90 -1.07 113.55 124.60 3dw1 h SER 191 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3dw1 h SER 191 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3dw1 h SER 191 CO 0.62 0.06 -0.54 2.22 -0.87 0.00 0.00 176.83 178.32 3dw1 n PHE 192 N -4.47 0.00 -2.10 4.77 1.16 -1.26 -4.64 117.46 110.92 3dw1 n PHE 192 Ca 0.04 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.20 3dw1 n PHE 192 Cb 0.31 -0.15 -0.03 0.00 -1.61 0.00 0.00 39.48 38.01 3dw1 n PHE 192 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3dw1 s SER 193 N -2.83 6.75 1.07 5.98 0.15 -0.41 -1.16 113.70 123.25 3dw1 s SER 193 Ca 0.14 2.41 -0.12 0.00 0.70 0.00 0.00 55.95 59.09 3dw1 s SER 193 Cb 0.18 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 62.13 3dw1 s SER 193 CO 0.68 -0.71 1.07 0.20 1.20 0.00 0.00 173.24 175.68 3dw1 s ASN 194 N 1.13 1.78 0.00 5.45 0.02 -0.22 -4.08 114.94 119.01 3dw1 s ASN 194 Ca 0.66 1.64 0.00 0.00 -1.02 0.00 0.00 52.86 54.15 3dw1 s ASN 194 Cb -0.39 -2.32 0.00 0.00 0.02 0.00 0.00 41.25 38.56 3dw1 s ASN 194 CO 0.30 -3.73 0.00 0.00 0.02 0.00 0.00 177.10 173.70 3dw1 n TYR 195 N -4.61 -0.38 0.00 2.20 4.11 -0.51 -4.76 117.16 113.21 3dw1 n TYR 195 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.96 3dw1 n TYR 195 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 3dw1 n TYR 195 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3dw1 n GLY 196 N 0.00 2.07 0.29 -7.48 0.00 -1.26 -0.50 105.19 98.31 3dw1 n GLY 196 Ca 0.00 -2.17 0.13 0.00 0.00 0.00 0.00 46.02 43.97 3dw1 n GLY 196 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dw1 h SER 197 N 0.00 0.00 1.07 1.61 4.64 -1.97 -2.41 113.55 116.49 3dw1 h SER 197 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dw1 h SER 197 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dw1 h SER 197 CO 0.00 0.00 0.00 0.55 -0.87 0.00 0.00 176.83 176.51 3dw1 n VAL 198 N -4.20 0.70 -2.23 0.95 3.14 -1.26 -4.79 118.33 110.64 3dw1 n VAL 198 Ca -0.01 -0.01 -0.40 0.00 -2.96 0.00 0.00 64.34 60.96 3dw1 n VAL 198 Cb 0.17 -0.88 -0.02 0.00 -1.06 0.00 0.00 33.84 32.05 3dw1 n VAL 198 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3dw1 s LEU 199 N -4.43 4.36 -0.10 6.55 1.02 -0.91 -4.53 118.68 120.65 3dw1 s LEU 199 Ca 0.07 2.50 0.13 0.00 0.02 0.00 0.00 54.13 56.85 3dw1 s LEU 199 Cb 0.11 -3.78 -0.19 0.00 0.02 0.00 0.00 46.19 42.35 3dw1 s LEU 199 CO 0.49 -0.53 0.13 0.47 0.02 0.00 0.00 176.35 176.93 3dw1 n ASP 200 N 0.60 1.67 -3.53 2.29 8.00 -0.19 -4.64 116.55 120.75 3dw1 n ASP 200 Ca 0.01 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.42 3dw1 n ASP 200 Cb 0.44 1.10 -0.03 0.00 -0.02 0.00 0.00 41.12 42.60 3dw1 n ASP 200 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3dw1 s ILE 201 N -2.54 0.00 0.09 0.53 1.10 -1.15 -4.79 121.20 114.44 3dw1 s ILE 201 Ca -0.06 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.14 3dw1 s ILE 201 Cb 0.06 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.63 3dw1 s ILE 201 CO 0.57 0.00 -0.07 -0.36 -2.11 0.00 0.00 174.94 172.97 3dw1 s PHE 202 N -2.28 2.81 0.17 3.50 0.40 -0.12 -0.83 117.98 121.64 3dw1 s PHE 202 Ca 0.02 -0.12 -0.00 0.00 -0.60 0.00 0.00 56.93 56.23 3dw1 s PHE 202 Cb -0.01 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 3dw1 s PHE 202 CO -0.04 0.43 0.07 0.20 0.70 0.00 0.00 175.22 176.58 3dw1 s GLY 203 N -2.14 1.24 0.10 4.36 0.00 -0.22 -1.28 107.32 109.38 3dw1 s GLY 203 Ca 0.22 -1.60 -0.32 0.00 0.00 0.00 0.00 44.72 43.01 3dw1 s GLY 203 CO 0.14 -1.43 1.79 -1.05 0.00 0.00 0.00 173.10 172.55 3dw1 n PRO 204 N -0.21 2.57 0.00 2.90 -0.02 -1.26 -0.99 135.00 137.99 3dw1 n PRO 204 Ca -0.03 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3dw1 n PRO 204 Cb 0.64 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3dw1 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dw1 n GLY 205 N 4.09 0.98 3.56 -1.23 0.00 0.10 -2.80 105.19 109.90 3dw1 n GLY 205 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3dw1 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dw1 s THR 206 N -0.13 4.62 -0.98 2.61 2.01 -1.02 -0.36 115.64 122.40 3dw1 s THR 206 Ca 0.00 -0.08 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 3dw1 s THR 206 Cb 0.00 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 3dw1 s THR 206 CO 0.00 0.41 0.86 -1.20 -0.69 0.00 0.00 174.62 174.00 3dw1 n SER 207 N 4.09 -6.86 -4.45 3.53 7.64 -1.23 -4.67 113.62 111.67 3dw1 n SER 207 Ca -0.16 -0.57 -0.39 0.00 1.01 0.00 0.00 58.87 58.75 3dw1 n SER 207 Cb 0.52 -5.13 -0.11 0.00 -1.01 0.00 0.00 64.21 58.48 3dw1 n SER 207 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dw1 s ILE 208 N -3.30 4.76 -0.01 0.44 -1.09 -0.22 -4.86 121.20 116.93 3dw1 s ILE 208 Ca 0.35 -0.43 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 3dw1 s ILE 208 Cb -0.05 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 3dw1 s ILE 208 CO 0.75 0.01 1.01 -0.22 -1.23 0.00 0.00 174.94 175.25 3dw1 s LEU 209 N 1.63 4.35 0.00 2.97 2.96 -1.26 -2.10 118.68 127.24 3dw1 s LEU 209 Ca 0.05 1.68 -0.09 0.00 -0.22 0.00 0.00 54.13 55.54 3dw1 s LEU 209 Cb -0.17 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 42.98 3dw1 s LEU 209 CO 0.07 -0.31 0.51 -0.24 -1.32 0.00 0.00 176.35 175.07 3dw1 n SER 210 N 4.06 -1.48 -4.74 3.68 2.88 -0.56 -4.88 113.62 112.57 3dw1 n SER 210 Ca 0.07 -2.10 -0.34 0.00 -1.33 0.00 0.00 58.87 55.17 3dw1 n SER 210 Cb 0.50 2.49 0.07 0.00 -0.75 0.00 0.00 64.21 66.52 3dw1 n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dw1 s THR 211 N -2.43 2.71 0.17 2.46 -4.23 -1.26 -1.21 115.64 111.84 3dw1 s THR 211 Ca 0.12 0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 3dw1 s THR 211 Cb -0.03 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 3dw1 s THR 211 CO 0.09 -0.19 0.13 0.86 -0.54 0.00 0.00 174.62 174.98 3dw1 s TRP 212 N -2.09 0.92 0.87 3.99 -0.11 0.01 -2.87 118.94 119.66 3dw1 s TRP 212 Ca 0.72 -1.22 -0.11 0.00 1.22 0.00 0.00 56.10 56.70 3dw1 s TRP 212 Cb -0.26 -0.44 0.11 0.00 -1.50 0.00 0.00 33.47 31.39 3dw1 s TRP 212 CO 0.42 -0.62 1.10 0.96 -4.62 0.00 0.00 176.95 174.20 3dw1 s ILE 213 N -4.09 2.75 -0.91 5.86 -4.36 -1.26 -2.39 121.20 116.80 3dw1 s ILE 213 Ca 0.30 0.24 0.00 0.00 -0.26 0.00 0.00 60.65 60.93 3dw1 s ILE 213 Cb 0.06 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.18 3dw1 s ILE 213 CO 0.06 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.54 3dw1 n GLY 214 N -0.72 0.61 2.32 6.27 0.00 -1.26 -3.37 105.19 109.03 3dw1 n GLY 214 Ca 0.09 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 3dw1 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dw1 n GLY 215 N -1.47 -0.08 0.00 -0.02 0.00 -1.22 -4.99 105.19 97.40 3dw1 n GLY 215 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3dw1 n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dw1 n SER 216 N -0.96 0.98 -4.02 1.61 3.41 -1.01 -4.95 113.62 108.68 3dw1 n SER 216 Ca -0.18 -0.99 -0.08 0.00 -0.26 0.00 0.00 58.87 57.35 3dw1 n SER 216 Cb 0.63 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.49 3dw1 n SER 216 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3dw1 s THR 217 N 0.03 0.15 -0.27 6.66 -4.23 -1.26 -0.81 115.64 115.91 3dw1 s THR 217 Ca 0.00 -1.60 -0.24 0.00 -1.18 0.00 0.00 61.69 58.67 3dw1 s THR 217 Cb 0.00 -1.64 0.09 0.00 1.34 0.00 0.00 72.50 72.29 3dw1 s THR 217 CO 0.00 -0.67 0.82 -0.60 -0.54 0.00 0.00 174.62 173.62 3dw1 s ARG 218 N -3.94 0.73 -0.23 3.99 6.06 -0.35 -4.82 118.95 120.38 3dw1 s ARG 218 Ca 0.12 0.89 -0.09 0.00 -2.50 0.00 0.00 55.73 54.14 3dw1 s ARG 218 Cb 0.06 0.34 -0.04 0.00 0.06 0.00 0.00 34.95 35.37 3dw1 s ARG 218 CO -0.06 -0.09 0.13 0.45 -2.50 0.00 0.00 175.30 173.23 3dw1 s SER 219 N 0.40 5.84 0.25 -2.12 0.15 -1.26 -1.50 113.70 115.47 3dw1 s SER 219 Ca 0.00 0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.71 3dw1 s SER 219 Cb -0.05 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.17 3dw1 s SER 219 CO -0.02 0.06 0.15 0.27 1.20 0.00 0.00 173.24 174.90 3dw1 s ILE 220 N 1.09 0.16 0.08 6.45 -4.36 -0.89 -4.83 121.20 118.90 3dw1 s ILE 220 Ca 0.06 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.52 3dw1 s ILE 220 Cb -0.14 -2.52 -0.03 0.00 1.25 0.00 0.00 42.46 41.02 3dw1 s ILE 220 CO 0.04 0.00 -0.17 -0.44 0.24 0.00 0.00 174.94 174.61 3dw1 s SER 221 N -3.26 2.06 0.00 4.36 0.01 -1.26 -1.05 113.70 114.55 3dw1 s SER 221 Ca 0.38 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3dw1 s SER 221 Cb 0.06 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3dw1 s SER 221 CO 0.16 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.41 3dw1 n GLY 222 N 1.25 2.94 0.30 3.44 0.00 0.52 -4.86 105.19 108.78 3dw1 n GLY 222 Ca -0.20 -1.04 0.19 0.00 0.00 0.00 0.00 46.02 44.97 3dw1 n GLY 222 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dw1 h THR 223 N 1.00 0.08 -0.16 2.61 1.35 -1.85 -0.94 112.91 115.00 3dw1 h THR 223 Ca 0.00 -0.28 0.05 0.00 -0.55 0.00 0.00 66.41 65.63 3dw1 h THR 223 Cb 0.00 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 3dw1 h THR 223 CO 0.00 0.02 0.15 0.28 -0.25 0.00 0.00 175.52 175.71 3dw1 h SER 224 N 0.00 0.00 0.45 5.36 0.02 -1.89 -1.71 113.55 115.77 3dw1 h SER 224 Ca -0.00 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.65 3dw1 h SER 224 Cb 0.25 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3dw1 h SER 224 CO 0.00 0.00 -1.76 0.23 -1.14 0.00 0.00 176.83 174.16 3dw1 n MET 225 N -4.08 0.64 -0.09 3.45 2.81 -0.37 -4.14 117.12 115.35 3dw1 n MET 225 Ca 0.01 0.28 -0.15 0.00 -1.81 0.00 0.00 57.70 56.03 3dw1 n MET 225 Cb 0.27 -1.78 -0.04 0.00 -0.71 0.00 0.00 33.22 30.96 3dw1 n MET 225 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dw1 h ALA 226 N 0.97 0.47 -0.19 3.04 0.00 -1.31 -3.32 119.26 118.93 3dw1 h ALA 226 Ca -0.31 -0.50 0.05 0.00 0.00 0.00 0.00 54.91 54.15 3dw1 h ALA 226 Cb 2.03 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 3dw1 h ALA 226 CO 0.08 0.66 -0.13 1.15 0.00 0.00 0.00 179.25 181.01 3dw1 h THR 227 N 0.67 0.63 0.00 0.00 2.02 -1.48 -1.83 112.91 112.92 3dw1 h THR 227 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3dw1 h THR 227 Cb 1.11 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.15 3dw1 h THR 227 CO 0.12 0.00 -0.07 1.55 0.37 0.00 0.00 175.52 177.48 3dw1 h PRO 228 N -0.12 0.00 -0.50 6.66 0.13 -1.73 -0.38 132.00 136.05 3dw1 h PRO 228 Ca 0.11 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 3dw1 h PRO 228 Cb 0.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 3dw1 h PRO 228 CO -0.27 0.07 0.20 0.45 -0.23 0.00 0.00 178.00 178.23 3dw1 h HIS 229 N 0.00 0.77 -0.33 1.56 3.86 -1.44 -0.18 115.15 119.39 3dw1 h HIS 229 Ca -0.00 -0.06 -0.16 0.00 -1.16 0.00 0.00 60.37 58.99 3dw1 h HIS 229 Cb 0.29 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3dw1 h HIS 229 CO 0.00 0.64 -0.44 0.28 0.86 0.00 0.00 177.93 179.27 3dw1 h VAL 230 N 0.67 1.28 -0.27 2.45 2.07 -1.11 -0.61 116.25 120.73 3dw1 h VAL 230 Ca 0.17 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3dw1 h VAL 230 Cb 0.19 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3dw1 h VAL 230 CO -0.01 0.53 0.17 0.00 0.02 0.00 0.00 177.57 178.28 3dw1 h ALA 231 N 0.72 0.34 -0.85 1.67 0.00 -1.04 -0.22 119.26 119.88 3dw1 h ALA 231 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3dw1 h ALA 231 Cb 1.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3dw1 h ALA 231 CO 0.10 -0.17 0.40 0.78 0.00 0.00 0.00 179.25 180.37 3dw1 h GLY 232 N 0.35 1.31 1.00 0.00 0.00 -0.99 -1.84 103.07 102.89 3dw1 h GLY 232 Ca 0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3dw1 h GLY 232 CO -0.02 0.62 0.35 -2.00 0.00 0.00 0.00 176.54 175.49 3dw1 h LEU 233 N 1.21 0.77 -0.46 3.11 5.85 -0.74 -0.89 115.31 124.16 3dw1 h LEU 233 Ca 0.29 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.94 3dw1 h LEU 233 Cb 0.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3dw1 h LEU 233 CO -0.04 0.63 0.28 0.00 -0.34 0.00 0.00 178.44 178.98 3dw1 h ALA 234 N 1.17 0.58 -0.48 1.25 0.00 -0.68 0.13 119.26 121.22 3dw1 h ALA 234 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3dw1 h ALA 234 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3dw1 h ALA 234 CO -0.04 -0.02 0.28 0.00 0.00 0.00 0.00 179.25 179.48 3dw1 h ALA 235 N 1.19 0.61 -0.49 0.00 0.00 -1.03 0.19 119.26 119.73 3dw1 h ALA 235 Ca 0.18 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3dw1 h ALA 235 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3dw1 h ALA 235 CO -0.06 0.11 0.25 -0.92 0.00 0.00 0.00 179.25 178.63 3dw1 h TYR 236 N 0.64 0.46 -0.10 0.00 3.20 -0.81 -1.46 116.97 118.89 3dw1 h TYR 236 Ca 0.17 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.92 3dw1 h TYR 236 Cb 0.01 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3dw1 h TYR 236 CO -0.03 0.23 -0.56 -0.07 -1.64 0.00 0.00 178.16 176.10 3dw1 h LEU 237 N 0.49 0.34 -0.47 2.82 3.38 -0.59 -2.44 115.31 118.84 3dw1 h LEU 237 Ca 0.22 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3dw1 h LEU 237 Cb 0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3dw1 h LEU 237 CO -0.15 0.82 -0.15 0.24 0.09 0.00 0.00 178.44 179.30 3dw1 h MET 238 N 0.23 0.93 -0.70 1.13 2.86 -0.74 -1.58 114.93 117.07 3dw1 h MET 238 Ca 0.00 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3dw1 h MET 238 Cb 1.05 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.63 3dw1 h MET 238 CO 0.09 1.03 0.43 1.79 1.06 0.00 0.00 176.91 181.32 3dw1 h THR 239 N 0.78 1.19 0.00 2.22 1.35 -1.14 -0.79 112.91 116.52 3dw1 h THR 239 Ca 0.11 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3dw1 h THR 239 Cb 0.71 0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 3dw1 h THR 239 CO 0.05 0.19 0.00 0.18 -0.25 0.00 0.00 175.52 175.70 3dw1 n LEU 240 N -4.41 0.05 -0.09 3.87 4.77 -0.93 -4.89 117.00 115.38 3dw1 n LEU 240 Ca 0.07 0.51 -0.01 0.00 -0.03 0.00 0.00 56.01 56.55 3dw1 n LEU 240 Cb 0.06 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3dw1 n LEU 240 CO 0.37 -0.21 -0.01 0.61 -1.33 0.00 0.00 177.39 176.81 3dw1 n GLY 241 N 0.33 0.50 0.15 -0.72 0.00 -0.30 -4.93 105.19 100.23 3dw1 n GLY 241 Ca 0.04 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.50 3dw1 n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dw1 h LYS 242 N 0.36 0.00 -3.10 1.61 1.79 -1.52 -3.48 116.57 112.23 3dw1 h LYS 242 Ca -0.02 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 3dw1 h LYS 242 Cb 0.11 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 3dw1 h LYS 242 CO 0.03 0.43 0.23 -0.08 -1.08 0.00 0.00 179.45 178.98 3dw1 s THR 243 N -3.05 0.00 0.32 -0.16 -1.32 -1.25 -5.04 115.64 105.15 3dw1 s THR 243 Ca 0.04 -1.06 0.03 0.00 -1.21 0.00 0.00 61.69 59.49 3dw1 s THR 243 Cb 0.08 -2.85 -0.05 0.00 -1.51 0.00 0.00 72.50 68.16 3dw1 s THR 243 CO 0.73 0.00 0.10 0.42 -2.21 0.00 0.00 174.62 173.66 3dw1 s THR 244 N -2.38 0.76 0.30 5.08 -4.23 -1.26 -4.45 115.64 109.45 3dw1 s THR 244 Ca 0.17 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 3dw1 s THR 244 Cb -0.05 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.45 3dw1 s THR 244 CO 0.12 0.00 1.95 0.00 -0.54 0.00 0.00 174.62 176.16 3dw1 h ALA 245 N 2.13 1.45 0.00 3.99 0.00 -1.89 0.47 119.26 125.41 3dw1 h ALA 245 Ca -0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3dw1 h ALA 245 Cb 1.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3dw1 h ALA 245 CO 0.62 0.48 -0.23 0.00 0.00 0.00 0.00 179.25 180.12 3dw1 h ALA 246 N 1.49 1.00 -0.01 0.00 0.00 -1.90 -3.30 119.26 116.55 3dw1 h ALA 246 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dw1 h ALA 246 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3dw1 h ALA 246 CO -0.09 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 3dw1 n SER 247 N -3.37 1.44 -0.28 0.00 3.41 -0.88 -4.77 113.62 109.17 3dw1 n SER 247 Ca 0.00 -1.40 -0.06 0.00 -0.26 0.00 0.00 58.87 57.15 3dw1 n SER 247 Cb 0.44 -0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.45 3dw1 n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dw1 h ALA 248 N 0.13 1.02 -0.44 7.33 0.00 -0.99 0.30 119.26 126.60 3dw1 h ALA 248 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3dw1 h ALA 248 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3dw1 h ALA 248 CO 0.00 0.67 0.20 0.00 0.00 0.00 0.00 179.25 180.12 3dw1 h ARG 250 N 0.57 0.93 -0.33 0.00 2.43 -1.81 -0.97 114.38 115.18 3dw1 h ARG 250 Ca 0.15 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3dw1 h ARG 250 Cb 0.13 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3dw1 h ARG 250 CO -0.02 0.71 0.13 -0.92 -1.51 0.00 0.00 179.97 178.36 3dw1 h TYR 251 N 0.90 0.51 -0.58 2.20 3.20 -0.59 0.11 116.97 122.73 3dw1 h TYR 251 Ca 0.23 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3dw1 h TYR 251 Cb 0.06 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3dw1 h TYR 251 CO -0.00 0.49 0.36 0.82 -1.64 0.00 0.00 178.16 178.19 3dw1 h ILE 252 N 0.39 1.16 -0.65 1.81 2.04 -0.64 -1.12 117.51 120.50 3dw1 h ILE 252 Ca 0.11 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 3dw1 h ILE 252 Cb 0.20 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 3dw1 h ILE 252 CO -0.01 0.17 0.14 0.00 0.00 0.00 0.00 178.15 178.44 3dw1 h ALA 253 N 1.19 0.86 -0.36 1.87 0.00 -0.98 -1.35 119.26 120.49 3dw1 h ALA 253 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3dw1 h ALA 253 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3dw1 h ALA 253 CO -0.04 0.60 0.16 -0.44 0.00 0.00 0.00 179.25 179.53 3dw1 h ASP 254 N 0.98 0.45 -0.35 0.00 3.32 -0.35 -3.00 116.42 117.47 3dw1 h ASP 254 Ca 0.20 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3dw1 h ASP 254 Cb 0.40 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3dw1 h ASP 254 CO 0.01 0.40 0.00 0.35 -1.72 0.00 0.00 179.24 178.27 3dw1 n THR 255 N -4.41 0.62 -1.26 0.35 -2.24 -0.46 -5.01 114.28 101.87 3dw1 n THR 255 Ca 0.02 -0.81 -0.32 0.00 -2.27 0.00 0.00 64.05 60.68 3dw1 n THR 255 Cb 0.13 0.83 0.10 0.00 -2.10 0.00 0.00 70.33 69.29 3dw1 n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dw1 s ALA 256 N -1.19 2.15 0.08 6.98 0.00 -0.53 -4.63 121.76 124.62 3dw1 s ALA 256 Ca 0.31 0.40 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3dw1 s ALA 256 Cb 0.18 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 3dw1 s ALA 256 CO 0.24 -1.86 1.45 -0.80 0.00 0.00 0.00 175.76 174.79 3dw1 s ASN 257 N -3.06 6.78 -0.11 0.00 0.02 -0.21 -4.83 114.94 113.52 3dw1 s ASN 257 Ca 0.64 2.32 -0.00 0.00 -1.02 0.00 0.00 52.86 54.80 3dw1 s ASN 257 Cb -0.19 -2.58 -0.02 0.00 0.02 0.00 0.00 41.25 38.48 3dw1 s ASN 257 CO 0.53 -0.72 -0.10 -0.54 0.02 0.00 0.00 177.10 176.29 3dw1 s LYS 258 N 1.65 3.20 -0.86 -0.60 1.02 -1.26 -0.88 119.74 122.01 3dw1 s LYS 258 Ca 0.66 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 56.02 3dw1 s LYS 258 Cb -0.37 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 3dw1 s LYS 258 CO 0.30 0.36 0.00 0.41 -0.92 0.00 0.00 175.35 175.50 3dw1 n GLY 259 N 3.11 0.98 0.00 -3.33 0.00 -0.29 -4.91 105.19 100.74 3dw1 n GLY 259 Ca -0.18 -0.67 0.10 0.00 0.00 0.00 0.00 46.02 45.27 3dw1 n GLY 259 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dw1 n ASP 260 N 0.68 0.74 -4.84 1.61 8.00 -1.26 -4.95 116.55 116.52 3dw1 n ASP 260 Ca -0.08 -0.73 -0.36 0.00 0.71 0.00 0.00 54.79 54.34 3dw1 n ASP 260 Cb 0.28 1.23 -0.06 0.00 -0.02 0.00 0.00 41.12 42.55 3dw1 n ASP 260 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dw1 s LEU 261 N -3.40 4.36 0.28 0.64 1.43 -1.26 -4.89 118.68 115.85 3dw1 s LEU 261 Ca 0.04 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 3dw1 s LEU 261 Cb 0.15 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 3dw1 s LEU 261 CO 0.88 0.14 0.42 -0.94 0.23 0.00 0.00 176.35 177.08 3dw1 s SER 262 N -1.65 6.27 -1.47 2.29 1.04 0.21 -4.53 113.70 115.86 3dw1 s SER 262 Ca 0.36 0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.81 3dw1 s SER 262 Cb -0.15 -1.83 0.06 0.00 0.10 0.00 0.00 66.02 64.20 3dw1 s SER 262 CO 0.19 -0.17 0.97 -3.20 0.98 0.00 0.00 173.24 172.00 3dw1 n ASN 263 N -1.54 -5.34 -4.58 7.02 5.15 -1.26 -1.32 115.26 113.39 3dw1 n ASN 263 Ca -0.07 -0.63 -0.41 0.00 -0.60 0.00 0.00 54.58 52.87 3dw1 n ASN 263 Cb 0.57 -4.26 -0.07 0.00 -0.53 0.00 0.00 39.78 35.50 3dw1 n ASN 263 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3dw1 s ILE 264 N -3.26 4.91 0.49 -1.44 -1.09 -1.26 -4.64 121.20 114.91 3dw1 s ILE 264 Ca 0.59 0.65 -0.24 0.00 -2.23 0.00 0.00 60.65 59.42 3dw1 s ILE 264 Cb -0.28 -4.04 -0.07 0.00 -1.58 0.00 0.00 42.46 36.48 3dw1 s ILE 264 CO 0.73 -0.25 1.35 -2.65 -1.23 0.00 0.00 174.94 172.88 3dw1 n PRO 265 N 5.97 1.90 -1.63 2.79 -0.02 -1.26 -4.88 135.00 137.87 3dw1 n PRO 265 Ca -0.01 0.68 -0.53 0.00 -2.02 0.00 0.00 63.50 61.62 3dw1 n PRO 265 Cb 0.49 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.37 3dw1 n PRO 265 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3dw1 n PHE 266 N -0.62 1.73 0.00 6.00 7.35 -1.26 -1.65 117.46 129.01 3dw1 n PHE 266 Ca 0.08 0.57 0.00 0.00 -0.76 0.00 0.00 57.45 57.34 3dw1 n PHE 266 Cb 0.43 -2.39 0.00 0.00 0.35 0.00 0.00 39.48 37.87 3dw1 n PHE 266 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dw1 n GLY 267 N 3.07 0.13 3.82 7.13 0.00 -1.26 -5.02 105.19 113.06 3dw1 n GLY 267 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3dw1 n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dw1 s THR 268 N -2.00 5.12 0.38 2.61 2.01 -0.66 -4.00 115.64 119.10 3dw1 s THR 268 Ca 0.00 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.77 3dw1 s THR 268 Cb 0.00 -3.22 -0.11 0.00 0.01 0.00 0.00 72.50 69.19 3dw1 s THR 268 CO 0.00 0.60 1.45 1.33 -0.69 0.00 0.00 174.62 177.31 3dw1 n VAL 269 N 1.99 2.10 -3.47 3.82 0.24 -1.26 -4.84 118.33 116.90 3dw1 n VAL 269 Ca -0.19 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.22 3dw1 n VAL 269 Cb 0.54 -1.89 -0.04 0.00 -1.47 0.00 0.00 33.84 30.98 3dw1 n VAL 269 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3dw1 n ASN 270 N 0.42 4.79 -3.81 -1.34 4.05 -1.26 -4.92 115.26 113.19 3dw1 n ASN 270 Ca 0.02 -3.17 -0.18 0.00 0.45 0.00 0.00 54.58 51.71 3dw1 n ASN 270 Cb 0.39 -1.13 -0.16 0.00 1.23 0.00 0.00 39.78 40.10 3dw1 n ASN 270 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3dw1 s LEU 271 N -1.63 1.07 -0.13 1.20 1.43 -1.26 -1.14 118.68 118.23 3dw1 s LEU 271 Ca 0.30 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3dw1 s LEU 271 Cb -0.05 -0.25 0.01 0.00 0.03 0.00 0.00 46.19 45.93 3dw1 s LEU 271 CO -0.08 -0.11 -0.22 -0.22 0.23 0.00 0.00 176.35 175.95 3dw1 s LEU 272 N 1.15 2.08 0.23 1.79 2.96 -0.06 -0.94 118.68 125.89 3dw1 s LEU 272 Ca -0.08 -0.58 -0.31 0.00 -0.22 0.00 0.00 54.13 52.94 3dw1 s LEU 272 Cb -0.13 -1.41 -0.14 0.00 0.50 0.00 0.00 46.19 45.00 3dw1 s LEU 272 CO -0.02 0.09 1.28 0.00 -1.32 0.00 0.00 176.35 176.38 3dw1 n ALA 273 N 4.00 0.39 -3.65 5.97 0.00 -0.40 -1.04 120.51 125.77 3dw1 n ALA 273 Ca -0.20 0.42 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 3dw1 n ALA 273 Cb 0.52 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.69 3dw1 n ALA 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3dw1 s TYR 274 N -0.29 -0.54 -1.23 0.00 5.04 -1.26 -4.50 117.35 114.58 3dw1 s TYR 274 Ca 0.68 1.18 0.29 0.00 -2.44 0.00 0.00 57.07 56.77 3dw1 s TYR 274 Cb -0.71 0.22 1.20 0.00 0.35 0.00 0.00 41.96 43.02 3dw1 s TYR 274 CO 0.52 -0.31 1.87 0.27 -1.34 0.00 0.00 175.55 176.57 3dw1 n ASN 275 N 4.11 0.16 -2.94 4.32 2.04 0.71 -4.70 115.26 118.96 3dw1 n ASN 275 Ca -0.23 0.03 -0.17 0.00 -0.44 0.00 0.00 54.58 53.78 3dw1 n ASN 275 Cb 0.55 -0.26 -0.00 0.00 -2.53 0.00 0.00 39.78 37.53 3dw1 n ASN 275 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3dw1 n ASN 276 N -1.34 -3.50 -4.70 0.53 3.02 -1.26 -4.91 115.26 103.10 3dw1 n ASN 276 Ca 0.10 -0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.14 3dw1 n ASN 276 Cb 0.30 -2.95 -0.03 0.00 -0.61 0.00 0.00 39.78 36.50 3dw1 n ASN 276 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3dw1 s TYR 277 N -2.72 3.59 -0.38 3.10 5.04 -1.26 -5.01 117.35 119.71 3dw1 s TYR 277 Ca 0.21 1.62 -0.07 0.00 -2.44 0.00 0.00 57.07 56.40 3dw1 s TYR 277 Cb -0.11 -3.13 0.06 0.00 0.35 0.00 0.00 41.96 39.13 3dw1 s TYR 277 CO 0.26 -0.10 0.18 -0.65 -1.34 0.00 0.00 175.55 173.90 3dw1 s GLN 278 N 1.43 2.54 0.00 4.97 1.11 -1.26 -5.00 119.66 123.45 3dw1 s GLN 278 Ca 0.49 -1.37 0.00 0.00 0.01 0.00 0.00 55.36 54.49 3dw1 s GLN 278 Cb -0.20 -3.60 0.00 0.00 -1.01 0.00 0.00 33.01 28.20 3dw1 s GLN 278 CO 0.23 -0.83 0.33 0.00 0.01 0.00 0.00 175.29 175.02