#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwa s ALA 2 N 0.00 3.56 0.07 -5.12 0.00 -1.26 -4.85 121.76 114.17 2wwa s ALA 2 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2wwa s ALA 2 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.56 2wwa s ALA 2 CO 0.00 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2wwa n GLY 3 N 4.61 -1.82 0.56 0.00 0.00 -1.26 -4.95 105.19 102.33 2wwa n GLY 3 Ca -0.11 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2wwa n GLY 3 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wwa n VAL 4 N -2.37 -0.75 -0.95 1.61 0.31 -1.26 -5.01 118.33 109.91 2wwa n VAL 4 Ca -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2wwa n VAL 4 Cb 0.11 -1.50 -0.01 0.00 -0.91 0.00 0.00 33.84 31.54 2wwa n VAL 4 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2wwa n LYS 5 N -0.14 -2.47 0.00 5.55 2.85 -1.26 -5.01 118.16 117.68 2wwa n LYS 5 Ca 0.00 1.93 0.00 0.00 -1.05 0.00 0.00 58.31 59.19 2wwa n LYS 5 Cb 0.00 -2.44 0.00 0.00 -0.65 0.00 0.00 35.03 31.94 2wwa n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wwa n ALA 6 N -2.32 1.96 0.07 0.58 0.00 -1.26 -4.56 120.51 114.98 2wwa n ALA 6 Ca -0.01 -0.53 0.03 0.00 0.00 0.00 0.00 53.44 52.94 2wwa n ALA 6 Cb 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 2wwa n ALA 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wwa n TYR 7 N -0.10 0.00 0.00 0.00 4.02 -1.26 -3.71 117.16 116.11 2wwa n TYR 7 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.72 2wwa n TYR 7 Cb 0.11 -0.12 -0.12 0.00 -0.02 0.00 0.00 39.34 39.20 2wwa n TYR 7 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2wwa h GLU 8 N 0.00 0.34 -0.09 -0.72 4.57 -1.95 -3.40 114.58 113.34 2wwa h GLU 8 Ca 0.00 -0.40 -0.05 0.00 -1.18 0.00 0.00 59.36 57.73 2wwa h GLU 8 Cb 0.27 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2wwa h GLU 8 CO 0.00 1.09 -0.16 1.25 -1.18 0.00 0.00 179.01 180.01 2wwa h LEU 9 N -0.23 0.29 -0.52 1.64 7.12 -1.87 -3.20 115.31 118.53 2wwa h LEU 9 Ca -0.08 -0.55 -0.08 0.00 0.13 0.00 0.00 57.88 57.31 2wwa h LEU 9 Cb 1.31 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 41.33 2wwa h LEU 9 CO 0.11 0.79 0.03 -0.09 -0.13 0.00 0.00 178.44 179.15 2wwa h ARG 10 N -0.20 0.90 -0.02 1.25 9.65 -1.77 -2.83 114.38 121.37 2wwa h ARG 10 Ca 0.01 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 2wwa h ARG 10 Cb 0.73 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2wwa h ARG 10 CO 0.04 0.91 -0.13 -2.37 2.80 0.00 0.00 179.97 181.22 2wwa n THR 11 N -4.33 0.00 -2.05 0.20 5.66 -1.26 -4.93 114.28 107.58 2wwa n THR 11 Ca 0.01 -0.33 -0.41 0.00 -3.05 0.00 0.00 64.05 60.27 2wwa n THR 11 Cb 0.30 1.03 -0.02 0.00 -1.55 0.00 0.00 70.33 70.09 2wwa n THR 11 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2wwa s LYS 12 N -2.16 4.30 -0.30 1.09 2.20 -1.07 -5.02 119.74 118.78 2wwa s LYS 12 Ca 0.28 2.29 0.03 0.00 -0.36 0.00 0.00 55.97 58.21 2wwa s LYS 12 Cb 0.20 -3.07 0.07 0.00 -1.51 0.00 0.00 37.83 33.52 2wwa s LYS 12 CO 0.39 -0.30 -0.03 0.45 -0.36 0.00 0.00 175.35 175.50 2wwa s SER 13 N -0.18 4.63 0.00 1.43 0.15 -1.26 -4.96 113.70 113.52 2wwa s SER 13 Ca 0.53 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 55.52 2wwa s SER 13 Cb -0.41 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2wwa s SER 13 CO 0.51 -0.27 0.00 2.29 1.20 0.00 0.00 173.24 176.97 2wwa n LYS 14 N 4.40 0.00 -0.05 5.44 2.85 -1.26 -4.40 118.16 125.13 2wwa n LYS 14 Ca -0.08 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.06 2wwa n LYS 14 Cb 0.42 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.80 2wwa n LYS 14 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2wwa h GLU 15 N 0.00 0.77 -0.55 -1.58 3.07 -1.99 -2.41 114.58 111.89 2wwa h GLU 15 Ca 0.00 -0.48 -0.03 0.00 -0.50 0.00 0.00 59.36 58.35 2wwa h GLU 15 Cb 0.00 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2wwa h GLU 15 CO 0.00 1.11 0.22 1.96 -1.40 0.00 0.00 179.01 180.90 2wwa h GLN 16 N 0.60 0.82 -0.49 2.33 4.20 -1.99 -2.44 115.11 118.15 2wwa h GLN 16 Ca 0.02 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 2wwa h GLN 16 Cb 1.12 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 2wwa h GLN 16 CO 0.11 0.71 -0.13 1.25 -0.67 0.00 0.00 178.83 180.11 2wwa h LEU 17 N 0.75 0.96 -0.73 1.46 7.12 -1.85 -2.24 115.31 120.78 2wwa h LEU 17 Ca 0.18 -0.37 -0.06 0.00 0.13 0.00 0.00 57.88 57.77 2wwa h LEU 17 Cb 0.19 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 40.03 2wwa h LEU 17 CO -0.02 1.10 0.23 0.00 -0.13 0.00 0.00 178.44 179.63 2wwa h ALA 18 N 0.89 0.95 -0.54 1.25 0.00 -1.36 -0.76 119.26 119.70 2wwa h ALA 18 Ca 0.12 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2wwa h ALA 18 Cb 0.69 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2wwa h ALA 18 CO 0.05 0.63 0.04 1.03 0.00 0.00 0.00 179.25 181.00 2wwa h SER 19 N 1.07 0.89 -0.53 0.00 0.87 -1.38 -2.89 113.55 111.59 2wwa h SER 19 Ca 0.23 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 2wwa h SER 19 Cb 0.30 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 2wwa h SER 19 CO -0.01 0.96 0.02 1.56 -0.53 0.00 0.00 176.83 178.83 2wwa h GLN 20 N 0.80 0.92 -0.63 2.24 1.08 -1.20 -3.16 115.11 115.17 2wwa h GLN 20 Ca 0.16 -0.28 -0.07 0.00 -1.45 0.00 0.00 58.65 57.00 2wwa h GLN 20 Cb 0.48 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.79 2wwa h GLN 20 CO 0.02 0.93 0.11 1.25 -0.95 0.00 0.00 178.83 180.19 2wwa h LEU 21 N 0.80 0.97 0.00 1.46 5.85 -1.03 -1.57 115.31 121.79 2wwa h LEU 21 Ca 0.15 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2wwa h LEU 21 Cb 0.50 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2wwa h LEU 21 CO 0.02 0.96 -0.06 0.55 -0.34 0.00 0.00 178.44 179.58 2wwa n VAL 22 N -4.22 0.51 1.02 1.05 3.14 -1.10 -2.22 118.33 116.51 2wwa n VAL 22 Ca 0.04 -0.25 0.12 0.00 -2.96 0.00 0.00 64.34 61.29 2wwa n VAL 22 Cb 0.28 -0.53 0.13 0.00 -1.06 0.00 0.00 33.84 32.66 2wwa n VAL 22 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2wwa n ASP 23 N -2.17 2.90 -0.56 6.55 9.92 -0.91 -2.63 116.55 129.66 2wwa n ASP 23 Ca 0.06 -1.96 0.10 0.00 -0.53 0.00 0.00 54.79 52.46 2wwa n ASP 23 Cb 0.42 -0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.91 2wwa n ASP 23 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2wwa n LEU 24 N 1.27 2.14 -0.30 0.64 4.77 -0.64 -3.78 117.00 121.09 2wwa n LEU 24 Ca 0.14 -0.81 0.09 0.00 -0.03 0.00 0.00 56.01 55.40 2wwa n LEU 24 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2wwa n LEU 24 CO 0.15 0.39 0.19 1.17 -1.33 0.00 0.00 177.39 177.96 2wwa n LYS 25 N 0.24 1.50 0.00 3.23 4.81 -0.94 -3.76 118.16 123.24 2wwa n LYS 25 Ca 0.10 -0.65 0.10 0.00 -0.87 0.00 0.00 58.31 56.99 2wwa n LYS 25 Cb 0.46 -1.33 -0.11 0.00 0.02 0.00 0.00 35.03 34.08 2wwa n LYS 25 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2wwa n LYS 26 N -0.43 0.33 0.06 1.64 5.02 -1.08 -2.15 118.16 121.56 2wwa n LYS 26 Ca 0.06 -0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 2wwa n LYS 26 Cb 0.35 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 2wwa n LYS 26 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2wwa h GLU 27 N 0.22 0.46 -0.02 1.97 5.08 -1.67 -3.04 114.58 117.59 2wwa h GLU 27 Ca 0.00 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2wwa h GLU 27 Cb 0.51 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2wwa h GLU 27 CO 0.00 1.14 -0.24 1.28 -1.00 0.00 0.00 179.01 180.20 2wwa n LEU 28 N -3.76 2.41 -0.33 1.33 4.32 -1.25 -2.97 117.00 116.75 2wwa n LEU 28 Ca -0.07 -0.84 0.07 0.00 -0.02 0.00 0.00 56.01 55.15 2wwa n LEU 28 Cb 0.84 -0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 42.64 2wwa n LEU 28 CO 0.52 0.42 0.25 0.00 -1.22 0.00 0.00 177.39 177.36 2wwa n ALA 29 N 0.58 3.08 0.25 -1.18 0.00 -0.91 -2.96 120.51 119.37 2wwa n ALA 29 Ca 0.12 -0.51 0.12 0.00 0.00 0.00 0.00 53.44 53.16 2wwa n ALA 29 Cb 0.52 -0.51 0.02 0.00 0.00 0.00 0.00 19.45 19.48 2wwa n ALA 29 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wwa n GLU 30 N -0.14 0.51 -0.50 0.00 0.00 -1.15 -4.16 120.64 115.20 2wwa n GLU 30 Ca 0.06 0.08 0.07 0.00 0.00 0.00 0.00 57.16 57.37 2wwa n GLU 30 Cb 0.31 -1.75 0.19 0.00 0.00 0.00 0.00 31.44 30.19 2wwa n GLU 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2wwa n LEU 31 N -2.44 2.61 -3.75 4.31 7.94 -1.16 -4.91 117.00 119.60 2wwa n LEU 31 Ca 0.01 -3.72 -0.13 0.00 -1.11 0.00 0.00 56.01 51.06 2wwa n LEU 31 Cb 0.51 -0.50 -0.14 0.00 0.53 0.00 0.00 43.42 43.82 2wwa n LEU 31 CO 0.40 1.25 -0.19 -0.54 -1.11 0.00 0.00 177.39 177.20 2wwa s LYS 32 N -3.13 0.14 0.08 1.96 1.02 -1.16 -4.54 119.74 114.12 2wwa s LYS 32 Ca 0.37 0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.78 2wwa s LYS 32 Cb 0.35 -0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 2wwa s LYS 32 CO -0.05 -0.15 -0.06 0.14 -0.92 0.00 0.00 175.35 174.31 2wwa s VAL 33 N 1.08 0.60 -0.08 3.17 -7.23 -1.26 -4.80 120.40 111.88 2wwa s VAL 33 Ca -0.08 -1.80 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 2wwa s VAL 33 Cb -0.10 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.35 2wwa s VAL 33 CO -0.06 -0.82 -0.14 0.00 -0.31 0.00 0.00 175.10 173.77 2wwa s GLN 34 N -3.53 1.96 -0.01 4.82 0.00 -1.26 -4.97 119.66 116.67 2wwa s GLN 34 Ca 0.08 -0.49 0.00 0.00 -0.00 0.00 0.00 55.36 54.95 2wwa s GLN 34 Cb 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 33.01 31.42 2wwa s GLN 34 CO -0.05 0.01 0.00 1.63 0.00 0.00 0.00 175.29 176.88 2wwa n LYS 35 N 3.93 -0.64 -2.73 9.60 4.76 -1.26 -4.84 118.16 126.99 2wwa n LYS 35 Ca -0.21 0.17 -0.07 0.00 -2.87 0.00 0.00 58.31 55.32 2wwa n LYS 35 Cb 0.52 -3.65 0.07 0.00 -1.84 0.00 0.00 35.03 30.13 2wwa n LYS 35 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2wwa n LEU 36 N -0.01 -2.38 0.00 -0.35 4.77 -1.26 -4.24 117.00 113.53 2wwa n LEU 36 Ca -0.00 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 2wwa n LEU 36 Cb 0.16 0.85 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 2wwa n LEU 36 CO 0.00 1.94 0.00 -1.54 -1.33 0.00 0.00 177.39 176.46 2wwa n SER 37 N 1.13 0.00 -4.84 -1.43 3.41 -1.26 -4.53 113.62 106.10 2wwa n SER 37 Ca 0.06 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.31 2wwa n SER 37 Cb 0.67 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.56 2wwa n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wwa s ARG 38 N 0.00 4.01 0.00 4.33 1.70 -1.26 -5.16 118.95 122.57 2wwa s ARG 38 Ca 0.00 0.53 0.00 0.00 -0.47 0.00 0.00 55.73 55.79 2wwa s ARG 38 Cb 0.00 -3.01 0.00 0.00 -0.57 0.00 0.00 34.95 31.37 2wwa s ARG 38 CO 0.00 0.52 0.00 -0.35 -1.08 0.00 0.00 175.30 174.39 2wwa n PRO 39 N 1.04 0.00 -0.21 3.89 -0.04 -1.26 -5.00 135.00 133.43 2wwa n PRO 39 Ca -0.07 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.31 2wwa n PRO 39 Cb 0.52 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.00 2wwa n PRO 39 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2wwa h SER 40 N 0.00 0.83 -4.53 3.54 0.87 -2.01 -3.48 113.55 108.76 2wwa h SER 40 Ca 0.00 -0.19 -0.48 0.00 -1.23 0.00 0.00 61.79 59.89 2wwa h SER 40 Cb 0.00 -0.22 0.09 0.00 -0.44 0.00 0.00 62.40 61.84 2wwa h SER 40 CO 0.00 0.79 0.41 -0.76 -0.53 0.00 0.00 176.83 176.74 2wwa s LEU 41 N -9.70 2.68 0.59 2.23 2.01 -1.26 -4.55 118.68 110.67 2wwa s LEU 41 Ca -0.13 0.97 0.38 0.00 0.01 0.00 0.00 54.13 55.36 2wwa s LEU 41 Cb 0.13 -3.61 1.78 0.00 0.01 0.00 0.00 46.19 44.49 2wwa s LEU 41 CO 0.80 -1.65 2.13 -0.65 1.01 0.00 0.00 176.35 177.98 2wwa h PRO 42 N -0.88 0.00 -0.16 1.29 0.11 -1.98 -1.09 132.00 129.29 2wwa h PRO 42 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2wwa h PRO 42 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 2wwa h PRO 42 CO 0.65 0.00 -0.08 -0.22 -0.21 0.00 0.00 178.00 178.14 2wwa h LYS 43 N 0.00 0.33 -0.50 1.05 3.64 -1.98 -2.43 116.57 116.68 2wwa h LYS 43 Ca 0.00 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 2wwa h LYS 43 Cb 0.30 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 2wwa h LYS 43 CO 0.00 0.65 -0.08 0.82 -2.27 0.00 0.00 179.45 178.58 2wwa h ILE 44 N 0.00 1.27 -0.48 2.00 2.04 -1.73 -0.70 117.51 119.92 2wwa h ILE 44 Ca 0.04 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 2wwa h ILE 44 Cb 0.55 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2wwa h ILE 44 CO 0.02 0.42 0.11 0.50 0.00 0.00 0.00 178.15 179.20 2wwa h LYS 45 N 0.80 0.77 -0.35 2.37 3.64 -1.31 -0.83 116.57 121.65 2wwa h LYS 45 Ca 0.13 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2wwa h LYS 45 Cb 0.62 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2wwa h LYS 45 CO 0.04 0.76 -0.08 1.15 -2.27 0.00 0.00 179.45 179.05 2wwa h THR 46 N 0.65 1.28 0.00 1.00 2.02 -1.29 -2.85 112.91 113.72 2wwa h THR 46 Ca 0.15 -1.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.08 2wwa h THR 46 Cb 0.34 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2wwa h THR 46 CO 0.00 0.37 -0.50 0.58 0.37 0.00 0.00 175.52 176.35 2wwa h VAL 47 N 0.47 0.89 -0.80 3.16 2.07 -1.07 0.12 116.25 121.09 2wwa h VAL 47 Ca 0.09 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 2wwa h VAL 47 Cb 0.58 2.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.68 2wwa h VAL 47 CO 0.03 0.49 0.35 -0.09 0.02 0.00 0.00 177.57 178.37 2wwa h ARG 48 N 0.00 1.18 -0.43 1.57 2.43 -1.17 -2.83 114.38 115.12 2wwa h ARG 48 Ca -0.01 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2wwa h ARG 48 Cb 1.33 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2wwa h ARG 48 CO 0.07 0.94 0.00 1.63 -1.51 0.00 0.00 179.97 181.09 2wwa n LYS 49 N -4.31 3.06 0.00 0.20 5.02 -1.03 -3.38 118.16 117.71 2wwa n LYS 49 Ca 0.07 -2.46 0.06 0.00 -2.02 0.00 0.00 58.31 53.96 2wwa n LYS 49 Cb 0.17 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 2wwa n LYS 49 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2wwa n SER 50 N 0.54 1.03 0.05 4.39 2.88 0.39 -2.12 113.62 120.78 2wwa n SER 50 Ca 0.18 -1.02 -0.21 0.00 -1.33 0.00 0.00 58.87 56.50 2wwa n SER 50 Cb 0.64 0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 64.69 2wwa n SER 50 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2wwa h ILE 51 N 0.79 1.31 -0.47 2.46 2.04 -1.51 -3.14 117.51 119.00 2wwa h ILE 51 Ca 0.00 -2.30 -0.08 0.00 1.00 0.00 0.00 64.86 63.48 2wwa h ILE 51 Cb 0.37 2.55 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2wwa h ILE 51 CO 0.00 0.70 -0.02 0.00 0.00 0.00 0.00 178.15 178.83 2wwa h ALA 52 N 0.34 0.63 0.00 1.87 0.00 -1.65 -2.11 119.26 118.34 2wwa h ALA 52 Ca -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2wwa h ALA 52 Cb 1.72 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2wwa h ALA 52 CO 0.20 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2wwa n VAL 54 N -2.84 0.08 0.46 0.00 0.24 -1.18 -3.84 118.33 111.25 2wwa n VAL 54 Ca 0.04 -0.52 0.11 0.00 -2.04 0.00 0.00 64.34 61.93 2wwa n VAL 54 Cb 0.44 0.99 0.04 0.00 -1.47 0.00 0.00 33.84 33.84 2wwa n VAL 54 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2wwa n LEU 55 N -0.04 0.63 0.04 1.34 4.77 -0.80 -2.11 117.00 120.84 2wwa n LEU 55 Ca 0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 2wwa n LEU 55 Cb 0.03 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2wwa n LEU 55 CO 0.00 -0.02 0.36 0.71 -1.33 0.00 0.00 177.39 177.11 2wwa h THR 56 N 0.00 1.37 -0.29 -5.08 1.35 -1.71 -2.54 112.91 106.01 2wwa h THR 56 Ca 0.00 -2.11 -0.07 0.00 -0.55 0.00 0.00 66.41 63.68 2wwa h THR 56 Cb 0.79 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 2wwa h THR 56 CO 0.00 0.64 -0.11 0.58 -0.25 0.00 0.00 175.52 176.38 2wwa h VAL 57 N 0.30 1.29 -0.59 6.82 2.07 -1.65 -1.08 116.25 123.40 2wwa h VAL 57 Ca -0.03 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 2wwa h VAL 57 Cb 1.29 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 2wwa h VAL 57 CO 0.13 0.37 0.06 0.40 0.02 0.00 0.00 177.57 178.55 2wwa h ILE 58 N 0.35 1.26 0.00 4.57 2.04 -1.49 -2.27 117.51 121.96 2wwa h ILE 58 Ca 0.07 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.87 2wwa h ILE 58 Cb 0.61 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2wwa h ILE 58 CO 0.04 0.39 -0.42 0.78 0.00 0.00 0.00 178.15 178.93 2wwa h ASN 59 N 0.90 0.00 -0.03 1.72 2.35 -1.48 -3.08 115.58 115.97 2wwa h ASN 59 Ca 0.17 -0.12 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 2wwa h ASN 59 Cb 0.48 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.86 2wwa h ASN 59 CO 0.02 0.06 -0.52 -0.08 -1.65 0.00 0.00 177.43 175.26 2wwa h GLU 60 N 0.00 0.41 -0.43 0.81 4.81 -1.00 -2.67 114.58 116.50 2wwa h GLU 60 Ca 0.00 -0.39 -0.10 0.00 -0.13 0.00 0.00 59.36 58.74 2wwa h GLU 60 Cb 0.77 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2wwa h GLU 60 CO 0.00 1.05 -0.12 -0.56 -0.73 0.00 0.00 179.01 178.65 2wwa h GLN 61 N -0.09 0.79 -0.64 1.92 3.07 -1.45 -0.76 115.11 117.93 2wwa h GLN 61 Ca -0.06 -0.27 -0.06 0.00 0.09 0.00 0.00 58.65 58.36 2wwa h GLN 61 Cb 1.21 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 28.68 2wwa h GLN 61 CO 0.10 0.87 0.16 1.96 0.09 0.00 0.00 178.83 182.02 2wwa h GLN 62 N 0.71 1.03 -0.26 0.06 4.20 -1.64 -2.10 115.11 117.12 2wwa h GLN 62 Ca 0.12 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2wwa h GLN 62 Cb 0.61 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2wwa h GLN 62 CO 0.04 0.92 0.03 -0.09 -0.67 0.00 0.00 178.83 179.06 2wwa h ARG 63 N 0.95 0.43 -0.17 1.46 9.65 -1.10 -2.99 114.38 122.60 2wwa h ARG 63 Ca 0.20 -0.12 -0.15 0.00 -1.10 0.00 0.00 59.98 58.81 2wwa h ARG 63 Cb 0.35 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 2wwa h ARG 63 CO 0.00 0.57 -0.54 0.93 2.80 0.00 0.00 179.97 183.74 2wwa h GLU 64 N 0.23 0.51 -0.04 0.20 4.39 -1.14 -3.01 114.58 115.73 2wwa h GLU 64 Ca 0.08 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.39 2wwa h GLU 64 Cb 0.36 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2wwa h GLU 64 CO 0.01 0.92 -0.30 0.00 -1.16 0.00 0.00 179.01 178.48 2wwa h ALA 65 N 1.02 1.44 0.00 3.43 0.00 -1.40 -2.19 119.26 121.57 2wwa h ALA 65 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2wwa h ALA 65 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wwa h ALA 65 CO 0.10 0.41 0.00 0.28 0.00 0.00 0.00 179.25 180.04 2wwa h VAL 66 N 0.06 0.00 0.00 0.00 2.07 -1.39 -2.47 116.25 114.53 2wwa h VAL 66 Ca 0.01 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2wwa h VAL 66 Cb 0.56 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2wwa h VAL 66 CO 0.04 0.00 -0.97 -1.14 0.02 0.00 0.00 177.57 175.52 2wwa n ARG 67 N -2.47 0.06 0.00 1.57 0.63 -0.88 -3.57 116.66 112.00 2wwa n ARG 67 Ca 0.04 -0.01 0.11 0.00 -0.92 0.00 0.00 57.85 57.07 2wwa n ARG 67 Cb 0.38 -1.51 0.12 0.00 0.45 0.00 0.00 32.46 31.91 2wwa n ARG 67 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2wwa n GLN 68 N -1.57 0.12 0.00 -0.14 6.02 -0.88 -5.11 117.38 115.82 2wwa n GLN 68 Ca 0.04 -0.08 0.06 0.00 -0.01 0.00 0.00 57.00 57.01 2wwa n GLN 68 Cb 0.35 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.17 2wwa n GLN 68 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33