#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh1 h ALA 7 N 0.00 0.03 0.00 -1.18 0.00 -1.99 -2.55 119.26 113.57 2wh1 h ALA 7 Ca 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2wh1 h ALA 7 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2wh1 h ALA 7 CO 0.00 0.15 -0.56 1.96 0.00 0.00 0.00 179.25 180.80 2wh1 h GLN 8 N -1.00 0.00 0.01 0.00 1.08 -2.04 -3.33 115.11 109.83 2wh1 h GLN 8 Ca -0.05 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 56.85 2wh1 h GLN 8 Cb 0.63 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.01 2wh1 h GLN 8 CO -0.03 0.56 -1.77 -2.13 -0.95 0.00 0.00 178.83 174.52 2wh1 n ARG 9 N -3.55 0.64 -0.20 1.46 0.63 -1.26 -4.54 116.66 109.84 2wh1 n ARG 9 Ca -0.00 0.28 0.03 0.00 -0.92 0.00 0.00 57.85 57.24 2wh1 n ARG 9 Cb 0.64 -1.77 0.08 0.00 0.45 0.00 0.00 32.46 31.85 2wh1 n ARG 9 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2wh1 n LEU 10 N -3.05 -0.21 0.00 6.15 -0.00 -0.96 -2.73 117.00 116.20 2wh1 n LEU 10 Ca -0.19 0.98 0.00 0.00 -0.00 0.00 0.00 56.01 56.80 2wh1 n LEU 10 Cb 1.06 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 2wh1 n LEU 10 CO 0.45 -0.94 0.26 -0.62 -0.00 0.00 0.00 177.39 176.54 2wh1 n GLU 11 N -4.93 0.00 0.00 1.47 -0.58 -1.26 -3.61 120.64 111.73 2wh1 n GLU 11 Ca 0.09 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 2wh1 n GLU 11 Cb 0.28 -1.02 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 2wh1 n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wh1 n GLY 12 N -0.93 -0.59 3.09 0.62 0.00 -1.11 -2.91 105.19 103.37 2wh1 n GLY 12 Ca 0.00 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wh1 n GLY 12 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wh1 n LEU 13 N -2.12 4.73 0.00 0.99 7.94 -1.24 -2.56 117.00 124.74 2wh1 n LEU 13 Ca 0.00 -3.30 0.00 0.00 -1.11 0.00 0.00 56.01 51.60 2wh1 n LEU 13 Cb 0.00 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.59 2wh1 n LEU 13 CO 0.00 -0.12 0.00 0.54 -1.11 0.00 0.00 177.39 176.70 2wh1 n ARG 14 N 7.00 0.00 -0.41 1.96 1.74 -1.15 -4.92 116.66 120.88 2wh1 n ARG 14 Ca 0.50 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2wh1 n ARG 14 Cb 0.41 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 2wh1 n ARG 14 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh1 n GLY 15 N 0.00 1.43 0.32 -0.13 0.00 -1.17 -4.69 105.19 100.96 2wh1 n GLY 15 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 46.02 45.85 2wh1 n GLY 15 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wh1 n TYR 16 N -1.83 0.29 -0.06 1.61 9.36 -1.06 0.17 117.16 125.65 2wh1 n TYR 16 Ca 0.00 1.09 -0.01 0.00 3.32 0.00 0.00 57.90 62.30 2wh1 n TYR 16 Cb 0.09 -1.00 -0.15 0.00 -0.63 0.00 0.00 39.34 37.65 2wh1 n TYR 16 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2wh1 n LEU 17 N -5.44 0.00 0.22 2.98 4.77 -1.26 -4.28 117.00 113.98 2wh1 n LEU 17 Ca 0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2wh1 n LEU 17 Cb 0.44 0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 2wh1 n LEU 17 CO -0.11 0.26 0.25 -0.78 -1.33 0.00 0.00 177.39 175.68 2wh1 h ASP 18 N 0.00 -0.53 -0.46 -1.43 1.82 -1.51 -3.35 116.42 110.97 2wh1 h ASP 18 Ca -0.29 0.02 0.09 0.00 -0.39 0.00 0.00 57.03 56.46 2wh1 h ASP 18 Cb 1.61 0.14 -0.09 0.00 0.68 0.00 0.00 39.33 41.67 2wh1 h ASP 18 CO 0.02 -0.11 -0.17 0.40 -1.61 0.00 0.00 179.24 177.77 2wh1 h ILE 19 N -1.16 0.44 0.00 2.25 1.08 0.15 -0.35 117.51 119.92 2wh1 h ILE 19 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 2wh1 h ILE 19 Cb 0.48 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2wh1 h ILE 19 CO 0.10 0.00 0.00 -0.81 -0.69 0.00 0.00 178.15 176.75 2wh1 n PRO 20 N -5.37 0.00 -0.00 2.37 -0.04 -1.24 0.57 135.00 131.28 2wh1 n PRO 20 Ca 0.03 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2wh1 n PRO 20 Cb 0.28 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 2wh1 n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2wh1 n GLN 21 N -0.63 3.11 0.08 0.54 1.13 -0.18 -4.60 117.38 116.84 2wh1 n GLN 21 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 2wh1 n GLN 21 Cb 0.00 -1.02 -0.08 0.00 0.11 0.00 0.00 30.24 29.25 2wh1 n GLN 21 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 2wh1 h LYS 22 N 0.00 0.17 -0.57 -1.09 1.63 -0.25 -3.32 116.57 113.15 2wh1 h LYS 22 Ca -0.02 -0.24 0.11 0.00 -0.85 0.00 0.00 60.65 59.65 2wh1 h LYS 22 Cb 1.04 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 32.64 2wh1 h LYS 22 CO 0.00 1.05 -0.23 1.05 -3.45 0.00 0.00 179.45 177.87 2wh1 h GLU 23 N 0.07 -0.09 0.00 1.90 4.11 -0.13 0.46 114.58 120.90 2wh1 h GLU 23 Ca -0.06 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2wh1 h GLU 23 Cb 1.72 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.99 2wh1 h GLU 23 CO 0.16 -0.06 0.00 0.25 0.07 0.00 0.00 179.01 179.43 2wh1 n THR 24 N -5.43 0.22 0.11 -1.06 -2.24 -1.25 -1.81 114.28 102.83 2wh1 n THR 24 Ca 0.05 0.06 0.04 0.00 -2.27 0.00 0.00 64.05 61.92 2wh1 n THR 24 Cb 0.33 -0.69 -0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2wh1 n THR 24 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2wh1 h ARG 25 N 0.00 0.00 0.00 -0.78 3.08 -0.20 -0.72 114.38 115.76 2wh1 h ARG 25 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wh1 h ARG 25 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2wh1 h ARG 25 CO 0.00 0.32 0.00 1.28 -1.07 0.00 0.00 179.97 180.50 2wh1 n LEU 26 N -3.03 0.14 0.33 3.04 4.77 -0.75 -2.41 117.00 119.09 2wh1 n LEU 26 Ca -0.02 0.78 0.14 0.00 -0.03 0.00 0.00 56.01 56.88 2wh1 n LEU 26 Cb 0.73 -0.42 0.76 0.00 -2.33 0.00 0.00 43.42 42.16 2wh1 n LEU 26 CO 0.41 -0.42 1.12 0.11 -1.33 0.00 0.00 177.39 177.28 2wh1 h LYS 27 N 0.00 0.00 0.00 3.23 1.57 -1.67 -1.94 116.57 117.76 2wh1 h LYS 27 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wh1 h LYS 27 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wh1 h LYS 27 CO 0.00 0.00 0.00 -1.91 -0.57 0.00 0.00 179.45 176.97 2wh1 n GLU 28 N -2.89 0.00 0.21 3.15 2.13 -0.27 -2.50 120.64 120.47 2wh1 n GLU 28 Ca -0.01 0.34 0.15 0.00 0.66 0.00 0.00 57.16 58.29 2wh1 n GLU 28 Cb 0.44 -1.13 0.63 0.00 0.27 0.00 0.00 31.44 31.65 2wh1 n GLU 28 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2wh1 h LEU 29 N 0.00 0.00 0.00 4.31 6.46 -1.41 -3.30 115.31 121.36 2wh1 h LEU 29 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2wh1 h LEU 29 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2wh1 h LEU 29 CO 0.00 0.00 0.00 1.21 -0.62 0.00 0.00 178.44 179.03 2wh1 n GLU 30 N -2.67 0.00 -0.59 1.25 4.07 -0.75 -4.66 120.64 117.28 2wh1 n GLU 30 Ca 0.01 0.68 -0.31 0.00 -0.06 0.00 0.00 57.16 57.49 2wh1 n GLU 30 Cb 0.25 -1.49 0.21 0.00 -0.06 0.00 0.00 31.44 30.34 2wh1 n GLU 30 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2wh1 n ARG 31 N -2.35 -1.91 -2.49 5.31 1.74 -1.08 -4.29 116.66 111.60 2wh1 n ARG 31 Ca 0.00 -0.53 -0.02 0.00 -0.77 0.00 0.00 57.85 56.53 2wh1 n ARG 31 Cb 0.00 -1.91 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 2wh1 n ARG 31 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2wh1 n ARG 32 N -3.31 -1.08 -1.28 5.56 3.00 -1.26 -4.74 116.66 113.56 2wh1 n ARG 32 Ca 0.02 1.28 -0.16 0.00 -0.01 0.00 0.00 57.85 58.99 2wh1 n ARG 32 Cb 0.58 -4.30 -0.09 0.00 0.00 0.00 0.00 32.46 28.65 2wh1 n ARG 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wh1 n LEU 33 N -1.17 0.54 -4.56 0.55 4.77 -1.26 -4.80 117.00 111.06 2wh1 n LEU 33 Ca 0.02 -2.04 -0.14 0.00 -0.03 0.00 0.00 56.01 53.83 2wh1 n LEU 33 Cb 0.44 -1.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.21 2wh1 n LEU 33 CO 0.34 -2.92 1.21 -1.83 -1.33 0.00 0.00 177.39 172.86 2wh1 s GLU 34 N 7.40 1.59 -0.72 3.23 -1.05 -1.26 -3.71 118.70 124.18 2wh1 s GLU 34 Ca 0.61 0.38 -0.13 0.00 -0.15 0.00 0.00 54.97 55.68 2wh1 s GLU 34 Cb -0.01 -4.81 0.02 0.00 -0.44 0.00 0.00 34.13 28.89 2wh1 s GLU 34 CO 0.17 -4.51 0.25 -0.25 0.95 0.00 0.00 175.26 171.86 2wh1 n ASP 35 N 18.64 -1.31 -4.20 0.83 8.00 -1.26 -4.32 116.55 132.92 2wh1 n ASP 35 Ca 0.46 -0.71 -0.07 0.00 0.71 0.00 0.00 54.79 55.19 2wh1 n ASP 35 Cb 0.44 -0.86 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 2wh1 n ASP 35 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2wh1 n PRO 36 N -3.12 0.04 0.00 -0.24 -0.02 -1.24 -4.67 135.00 125.75 2wh1 n PRO 36 Ca -0.10 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 2wh1 n PRO 36 Cb 0.33 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 2wh1 n PRO 36 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wh1 n SER 37 N 7.44 0.00 -4.66 2.55 2.88 -1.26 -4.91 113.62 115.66 2wh1 n SER 37 Ca 0.21 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 57.24 2wh1 n SER 37 Cb 0.42 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.83 2wh1 n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wh1 n LEU 38 N 0.00 2.70 -4.69 2.46 7.99 -1.26 -4.89 117.00 119.31 2wh1 n LEU 38 Ca 0.00 1.06 -0.42 0.00 -0.01 0.00 0.00 56.01 56.63 2wh1 n LEU 38 Cb 0.00 -1.29 -0.03 0.00 -0.11 0.00 0.00 43.42 42.00 2wh1 n LEU 38 CO 0.00 -0.43 0.94 -1.66 -1.51 0.00 0.00 177.39 174.73 2wh1 s TRP 39 N 2.33 3.21 0.00 -1.77 -2.14 -1.26 -4.86 118.94 114.45 2wh1 s TRP 39 Ca 0.89 1.24 0.00 0.00 2.66 0.00 0.00 56.10 60.89 2wh1 s TRP 39 Cb -0.84 -3.40 0.00 0.00 -3.10 0.00 0.00 33.47 26.13 2wh1 s TRP 39 CO 0.50 -1.23 0.00 0.09 -2.66 0.00 0.00 176.95 173.66 2wh1 n ASN 40 N 5.22 0.00 -0.13 -2.66 3.02 -1.26 -4.97 115.26 114.49 2wh1 n ASN 40 Ca 0.11 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.62 2wh1 n ASN 40 Cb 0.46 0.00 0.16 0.00 -0.61 0.00 0.00 39.78 39.79 2wh1 n ASN 40 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2wh1 h ASP 41 N 0.00 0.80 -0.67 6.41 1.82 -1.89 -3.22 116.42 119.66 2wh1 h ASP 41 Ca 0.00 -0.18 0.18 0.00 -0.39 0.00 0.00 57.03 56.65 2wh1 h ASP 41 Cb 0.00 -0.21 -0.13 0.00 0.68 0.00 0.00 39.33 39.67 2wh1 h ASP 41 CO 0.00 0.83 -0.00 -0.81 -1.61 0.00 0.00 179.24 177.65 2wh1 n PRO 42 N -4.23 -0.05 0.00 0.28 -0.04 -1.26 -0.76 135.00 128.93 2wh1 n PRO 42 Ca 0.03 1.01 0.00 0.00 -0.04 0.00 0.00 63.50 64.51 2wh1 n PRO 42 Cb 0.28 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 2wh1 n PRO 42 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh1 n GLU 43 N -4.92 0.00 -0.92 0.54 -0.58 -1.22 -2.38 120.64 111.17 2wh1 n GLU 43 Ca 0.15 0.18 -0.24 0.00 -0.42 0.00 0.00 57.16 56.84 2wh1 n GLU 43 Cb 0.50 -1.15 -0.05 0.00 -0.57 0.00 0.00 31.44 30.18 2wh1 n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wh1 n ALA 44 N -0.99 5.70 -0.00 0.62 0.00 -0.30 -3.76 120.51 121.78 2wh1 n ALA 44 Ca 0.00 -2.30 -0.03 0.00 0.00 0.00 0.00 53.44 51.10 2wh1 n ALA 44 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 19.45 16.51 2wh1 n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh1 n ALA 45 N 3.58 2.20 0.08 0.00 0.00 0.06 -4.55 120.51 121.88 2wh1 n ALA 45 Ca 0.52 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 2wh1 n ALA 45 Cb 0.31 0.16 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 2wh1 n ALA 45 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2wh1 h ARG 46 N -0.35 0.39 -0.92 0.00 2.43 -1.71 -2.87 114.38 111.35 2wh1 h ARG 46 Ca 0.00 -0.66 0.12 0.00 -0.81 0.00 0.00 59.98 58.62 2wh1 h ARG 46 Cb 0.35 0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 2wh1 h ARG 46 CO 0.00 1.30 0.59 -0.22 -1.51 0.00 0.00 179.97 180.13 2wh1 h LYS 47 N 0.11 0.83 0.00 0.20 3.64 -1.88 1.25 116.57 120.72 2wh1 h LYS 47 Ca -0.33 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.97 2wh1 h LYS 47 Cb 2.10 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2wh1 h LYS 47 CO 0.18 0.55 -0.14 -0.39 -2.27 0.00 0.00 179.45 177.38 2wh1 h VAL 48 N 0.86 0.26 0.10 2.00 -1.51 -1.80 -3.22 116.25 112.94 2wh1 h VAL 48 Ca 0.44 -1.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.66 2wh1 h VAL 48 Cb 0.52 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 2wh1 h VAL 48 CO -0.21 0.14 -0.05 -1.28 -1.23 0.00 0.00 177.57 174.94 2wh1 h SER 49 N 0.00 -0.12 -1.05 4.19 0.87 0.93 -3.28 113.55 115.10 2wh1 h SER 49 Ca -0.00 -0.41 0.32 0.00 -1.23 0.00 0.00 61.79 60.47 2wh1 h SER 49 Cb 1.01 0.03 -0.14 0.00 -0.44 0.00 0.00 62.40 62.86 2wh1 h SER 49 CO 0.02 0.52 0.62 -0.61 -0.53 0.00 0.00 176.83 176.85 2wh1 h GLN 50 N -0.93 0.32 -0.61 2.24 4.15 0.11 1.16 115.11 121.55 2wh1 h GLN 50 Ca -0.01 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.51 2wh1 h GLN 50 Cb 0.52 -0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.04 2wh1 h GLN 50 CO 0.02 0.21 0.03 1.49 -1.93 0.00 0.00 178.83 178.66 2wh1 h GLU 51 N 0.33 0.15 0.00 1.69 4.81 -1.61 -2.89 114.58 117.05 2wh1 h GLU 51 Ca 0.72 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.94 2wh1 h GLU 51 Cb 1.72 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 31.07 2wh1 h GLU 51 CO -0.53 0.10 0.00 0.00 -0.73 0.00 0.00 179.01 177.85 2wh1 n ALA 52 N -2.74 0.00 0.00 2.92 0.00 0.40 -2.84 120.51 118.25 2wh1 n ALA 52 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2wh1 n ALA 52 Cb 0.35 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.80 2wh1 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh1 n ALA 53 N -2.89 0.89 1.23 0.00 0.00 -1.23 0.84 120.51 119.34 2wh1 n ALA 53 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2wh1 n ALA 53 Cb 0.00 -0.59 0.30 0.00 0.00 0.00 0.00 19.45 19.16 2wh1 n ALA 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wh1 n ARG 54 N -0.70 1.37 0.00 0.00 0.63 -1.09 -3.03 116.66 113.85 2wh1 n ARG 54 Ca 0.00 -0.94 0.13 0.00 -0.92 0.00 0.00 57.85 56.12 2wh1 n ARG 54 Cb 0.00 -1.48 0.45 0.00 0.45 0.00 0.00 32.46 31.88 2wh1 n ARG 54 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2wh1 n LEU 55 N 0.01 0.24 -0.02 6.15 0.00 0.25 -1.43 117.00 122.19 2wh1 n LEU 55 Ca 0.14 0.28 -0.22 0.00 0.00 0.00 0.00 56.01 56.21 2wh1 n LEU 55 Cb 0.41 -0.38 -0.13 0.00 0.00 0.00 0.00 43.42 43.31 2wh1 n LEU 55 CO 0.22 0.05 -0.71 -0.09 0.00 0.00 0.00 177.39 176.86 2wh1 h ARG 56 N 0.00 0.20 0.00 1.96 2.43 -1.71 -1.57 114.38 115.69 2wh1 h ARG 56 Ca 0.00 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 2wh1 h ARG 56 Cb 0.51 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 2wh1 h ARG 56 CO 0.00 1.17 -0.04 0.00 -1.51 0.00 0.00 179.97 179.59 2wh1 h ARG 57 N -0.22 0.00 0.05 0.20 3.08 -1.57 1.59 114.38 117.51 2wh1 h ARG 57 Ca -0.40 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.42 2wh1 h ARG 57 Cb 1.84 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.88 2wh1 h ARG 57 CO 0.01 0.04 -1.06 1.15 -1.07 0.00 0.00 179.97 179.04 2wh1 h THR 58 N 0.00 1.55 -0.01 2.04 2.02 -1.24 -1.18 112.91 116.09 2wh1 h THR 58 Ca -0.00 -3.00 0.00 0.00 0.77 0.00 0.00 66.41 64.18 2wh1 h THR 58 Cb 0.11 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2wh1 h THR 58 CO 0.01 0.87 -0.24 0.52 0.37 0.00 0.00 175.52 177.04 2wh1 n VAL 59 N -3.53 0.00 -0.04 3.16 0.31 0.91 -2.16 118.33 116.98 2wh1 n VAL 59 Ca -0.05 -0.22 -0.21 0.00 -0.01 0.00 0.00 64.34 63.86 2wh1 n VAL 59 Cb 0.93 0.74 -0.13 0.00 -0.91 0.00 0.00 33.84 34.47 2wh1 n VAL 59 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2wh1 n ASP 60 N -0.14 2.07 -0.00 4.52 -0.08 0.51 -1.11 116.55 122.31 2wh1 n ASP 60 Ca 0.13 0.12 0.14 0.00 -1.51 0.00 0.00 54.79 53.67 2wh1 n ASP 60 Cb 0.40 -0.73 0.67 0.00 2.34 0.00 0.00 41.12 43.81 2wh1 n ASP 60 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2wh1 n THR 61 N -3.48 0.00 -0.10 5.18 5.66 -0.45 0.11 114.28 121.19 2wh1 n THR 61 Ca -0.37 -0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.43 2wh1 n THR 61 Cb 1.01 -0.47 -0.09 0.00 -1.55 0.00 0.00 70.33 69.22 2wh1 n THR 61 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 2wh1 n PHE 62 N -1.39 0.78 -0.16 1.09 7.35 -0.92 -3.05 117.46 121.16 2wh1 n PHE 62 Ca 0.10 0.34 -0.09 0.00 -0.76 0.00 0.00 57.45 57.04 2wh1 n PHE 62 Cb 0.30 -1.00 0.00 0.00 0.35 0.00 0.00 39.48 39.12 2wh1 n PHE 62 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2wh1 h ARG 63 N -1.00 0.73 0.00 -4.13 2.43 -1.04 3.28 114.38 114.65 2wh1 h ARG 63 Ca -0.34 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2wh1 h ARG 63 Cb 1.22 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2wh1 h ARG 63 CO -0.21 0.70 0.00 1.03 -1.51 0.00 0.00 179.97 179.98 2wh1 h SER 64 N 0.61 0.00 -0.01 -3.80 0.87 0.61 1.53 113.55 113.37 2wh1 h SER 64 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 2wh1 h SER 64 Cb 0.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 2wh1 h SER 64 CO -0.00 0.00 -0.49 0.18 -0.53 0.00 0.00 176.83 175.99 2wh1 n LEU 65 N -3.06 1.26 -0.11 2.23 4.77 -0.50 -3.74 117.00 117.85 2wh1 n LEU 65 Ca -0.00 -0.66 -0.17 0.00 -0.03 0.00 0.00 56.01 55.15 2wh1 n LEU 65 Cb 0.24 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.20 2wh1 n LEU 65 CO 0.25 0.26 -1.23 1.21 -1.33 0.00 0.00 177.39 176.55 2wh1 n GLU 66 N -0.62 0.67 -0.01 3.23 4.07 1.08 -3.78 120.64 125.28 2wh1 n GLU 66 Ca 0.05 0.14 0.04 0.00 -0.06 0.00 0.00 57.16 57.33 2wh1 n GLU 66 Cb 0.30 -1.55 0.24 0.00 -0.06 0.00 0.00 31.44 30.37 2wh1 n GLU 66 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2wh1 n SER 67 N -3.18 0.18 -0.00 4.31 7.64 0.51 -2.38 113.62 120.70 2wh1 n SER 67 Ca -0.41 -1.76 0.07 0.00 1.01 0.00 0.00 58.87 57.78 2wh1 n SER 67 Cb 1.03 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 64.11 2wh1 n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2wh1 n ASP 68 N -0.52 1.04 -0.28 6.43 4.64 -1.25 -3.58 116.55 123.03 2wh1 n ASP 68 Ca 0.07 -0.49 0.10 0.00 -1.38 0.00 0.00 54.79 53.09 2wh1 n ASP 68 Cb 0.06 1.30 0.24 0.00 -1.04 0.00 0.00 41.12 41.67 2wh1 n ASP 68 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2wh1 h LEU 69 N 0.00 -0.06 -2.93 -2.67 5.85 -1.57 0.21 115.31 114.15 2wh1 h LEU 69 Ca 0.00 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 2wh1 h LEU 69 Cb 0.50 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 2wh1 h LEU 69 CO 0.00 -0.13 -0.34 0.00 -0.34 0.00 0.00 178.44 177.63 2wh1 n GLN 70 N -5.23 1.22 0.00 1.25 6.02 -1.26 -4.73 117.38 114.64 2wh1 n GLN 70 Ca 0.18 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.44 2wh1 n GLN 70 Cb 0.59 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.49 2wh1 n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wh1 n GLY 71 N -1.03 0.90 0.07 1.08 0.00 0.74 0.17 105.19 107.12 2wh1 n GLY 71 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wh1 n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wh1 n LEU 72 N 0.38 0.00 0.21 0.99 4.77 -1.26 -4.78 117.00 117.32 2wh1 n LEU 72 Ca 0.00 -0.29 0.09 0.00 -0.03 0.00 0.00 56.01 55.78 2wh1 n LEU 72 Cb 0.18 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.71 2wh1 n LEU 72 CO 0.00 0.23 0.78 0.25 -1.33 0.00 0.00 177.39 177.31 2wh1 h LEU 73 N 0.00 0.00 0.00 2.23 7.12 -0.63 0.12 115.31 124.15 2wh1 h LEU 73 Ca 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 57.88 57.95 2wh1 h LEU 73 Cb 1.04 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.16 2wh1 h LEU 73 CO 0.00 0.26 -1.02 -0.33 -0.13 0.00 0.00 178.44 177.23 2wh1 h GLU 74 N 0.00 0.00 -0.01 1.25 5.08 -1.88 -3.19 114.58 115.83 2wh1 h GLU 74 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wh1 h GLU 74 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2wh1 h GLU 74 CO 0.03 0.11 -0.10 1.28 -1.00 0.00 0.00 179.01 179.33 2wh1 n LEU 75 N -2.81 0.96 -0.63 1.33 7.99 -0.53 0.28 117.00 123.60 2wh1 n LEU 75 Ca -0.02 -0.26 0.10 0.00 -0.01 0.00 0.00 56.01 55.82 2wh1 n LEU 75 Cb 0.64 -0.08 0.03 0.00 -0.11 0.00 0.00 43.42 43.91 2wh1 n LEU 75 CO 0.40 0.17 0.41 0.80 -1.51 0.00 0.00 177.39 177.67 2wh1 n MET 76 N -0.46 1.63 0.00 3.23 1.56 0.30 -4.33 117.12 119.04 2wh1 n MET 76 Ca 0.16 -1.29 0.00 0.00 -0.27 0.00 0.00 57.70 56.30 2wh1 n MET 76 Cb 0.31 -1.42 0.00 0.00 2.15 0.00 0.00 33.22 34.26 2wh1 n MET 76 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2wh1 n GLU 77 N 0.47 2.16 -3.64 2.12 1.02 -1.05 -5.02 120.64 116.70 2wh1 n GLU 77 Ca 0.10 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 57.00 2wh1 n GLU 77 Cb 0.48 -0.76 -0.17 0.00 -0.02 0.00 0.00 31.44 30.97 2wh1 n GLU 77 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2wh1 s GLU 78 N -1.45 0.05 -0.21 3.49 4.04 0.80 -5.05 118.70 120.37 2wh1 s GLU 78 Ca 0.00 0.05 -0.14 0.00 0.04 0.00 0.00 54.97 54.92 2wh1 s GLU 78 Cb 0.00 -1.43 -0.19 0.00 0.02 0.00 0.00 34.13 32.53 2wh1 s GLU 78 CO 0.00 -0.56 0.10 -0.11 -1.84 0.00 0.00 175.26 172.85 2wh1 n LEU 79 N 5.27 2.17 -4.66 1.83 7.94 -1.26 -3.50 117.00 124.79 2wh1 n LEU 79 Ca -0.06 0.30 -0.40 0.00 -1.11 0.00 0.00 56.01 54.75 2wh1 n LEU 79 Cb 0.49 -0.97 -0.06 0.00 0.53 0.00 0.00 43.42 43.41 2wh1 n LEU 79 CO 0.09 0.54 0.30 -2.84 -1.11 0.00 0.00 177.39 174.36 2wh1 s PRO 80 N -2.45 4.21 0.00 1.96 0.02 -1.26 -5.01 135.00 132.47 2wh1 s PRO 80 Ca -0.30 0.51 0.00 0.00 0.02 0.00 0.00 61.00 61.23 2wh1 s PRO 80 Cb 0.08 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 31.04 2wh1 s PRO 80 CO 0.62 -0.18 0.00 0.00 -0.33 0.00 0.00 177.00 177.10 2wh1 n ALA 81 N 4.87 0.00 0.00 -1.55 0.00 -1.26 -5.06 120.51 117.51 2wh1 n ALA 81 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wh1 n ALA 81 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2wh1 n ALA 81 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wh1 n GLU 82 N 0.00 0.20 0.00 0.00 0.00 -1.26 -4.66 120.64 114.92 2wh1 n GLU 82 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 2wh1 n GLU 82 Cb 0.00 -0.47 0.44 0.00 0.00 0.00 0.00 31.44 31.41 2wh1 n GLU 82 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2wh1 n GLU 83 N -0.48 0.53 0.00 5.31 0.00 -1.26 -0.95 120.64 123.79 2wh1 n GLU 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2wh1 n GLU 83 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 31.44 30.01 2wh1 n GLU 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wh1 n ARG 84 N -0.93 0.14 -0.14 5.31 5.12 -1.26 -4.59 116.66 120.31 2wh1 n ARG 84 Ca 0.11 -0.69 0.06 0.00 -1.93 0.00 0.00 57.85 55.40 2wh1 n ARG 84 Cb 0.05 -0.92 0.08 0.00 -1.16 0.00 0.00 32.46 30.51 2wh1 n ARG 84 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2wh1 n GLU 85 N -0.12 1.26 -0.11 5.56 1.02 -0.13 -4.55 120.64 123.57 2wh1 n GLU 85 Ca 0.00 -1.99 -0.14 0.00 -0.02 0.00 0.00 57.16 55.02 2wh1 n GLU 85 Cb 0.11 -1.17 -0.14 0.00 -0.02 0.00 0.00 31.44 30.22 2wh1 n GLU 85 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wh1 n ALA 86 N -0.93 1.48 0.22 0.62 0.00 -0.92 -4.35 120.51 116.61 2wh1 n ALA 86 Ca 0.09 -1.22 0.11 0.00 0.00 0.00 0.00 53.44 52.43 2wh1 n ALA 86 Cb 0.58 -0.14 0.01 0.00 0.00 0.00 0.00 19.45 19.90 2wh1 n ALA 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wh1 n LEU 87 N -2.99 0.73 -0.22 0.00 0.00 -1.26 -4.12 117.00 109.14 2wh1 n LEU 87 Ca -0.39 0.25 -0.06 0.00 0.00 0.00 0.00 56.01 55.81 2wh1 n LEU 87 Cb 1.07 -0.08 0.10 0.00 0.00 0.00 0.00 43.42 44.51 2wh1 n LEU 87 CO 0.35 -0.13 0.97 0.50 0.00 0.00 0.00 177.39 179.08 2wh1 h LYS 88 N 0.00 1.05 0.00 1.96 1.63 -1.80 0.17 116.57 119.59 2wh1 h LYS 88 Ca 0.00 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.57 2wh1 h LYS 88 Cb 0.93 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2wh1 h LYS 88 CO 0.00 0.92 0.00 -0.35 -3.45 0.00 0.00 179.45 176.57 2wh1 n PRO 89 N -4.25 0.55 -0.68 1.90 -0.04 -1.26 -0.11 135.00 131.11 2wh1 n PRO 89 Ca 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.56 2wh1 n PRO 89 Cb 0.24 -1.16 0.08 0.00 -0.04 0.00 0.00 33.50 32.62 2wh1 n PRO 89 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wh1 n GLU 90 N -0.66 0.59 0.00 0.54 1.02 -0.01 -4.65 120.64 117.47 2wh1 n GLU 90 Ca 0.04 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.12 2wh1 n GLU 90 Cb 0.02 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 2wh1 n GLU 90 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wh1 n LEU 91 N -0.41 0.00 -0.03 -4.62 7.94 0.84 -4.47 117.00 116.25 2wh1 n LEU 91 Ca 0.09 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.84 2wh1 n LEU 91 Cb 0.80 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.66 2wh1 n LEU 91 CO -0.02 0.00 0.43 -0.33 -1.11 0.00 0.00 177.39 176.36 2wh1 h GLU 92 N 0.00 0.36 0.00 1.96 4.39 -1.60 -2.75 114.58 116.94 2wh1 h GLU 92 Ca 0.00 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.39 2wh1 h GLU 92 Cb 0.30 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2wh1 h GLU 92 CO 0.00 0.93 -0.12 1.05 -1.16 0.00 0.00 179.01 179.71 2wh1 h GLU 93 N -0.13 0.00 -0.01 2.33 4.11 -1.82 -3.11 114.58 115.94 2wh1 h GLU 93 Ca -0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.29 2wh1 h GLU 93 Cb 0.99 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.25 2wh1 h GLU 93 CO 0.07 0.12 -0.46 0.00 0.07 0.00 0.00 179.01 178.81 2wh1 h ALA 94 N 1.88 0.07 0.00 1.06 0.00 -1.75 -2.61 119.26 117.91 2wh1 h ALA 94 Ca -0.00 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2wh1 h ALA 94 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wh1 h ALA 94 CO 0.02 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2wh1 n ALA 95 N -2.56 1.31 -0.04 0.00 0.00 -1.05 -1.09 120.51 117.08 2wh1 n ALA 95 Ca -0.10 0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.22 2wh1 n ALA 95 Cb 0.60 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.68 2wh1 n ALA 95 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wh1 h LYS 96 N 0.00 0.10 0.00 0.00 1.57 -1.52 -3.35 116.57 113.38 2wh1 h LYS 96 Ca 0.00 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 2wh1 h LYS 96 Cb 0.14 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2wh1 h LYS 96 CO 0.00 1.09 -0.53 0.87 -0.57 0.00 0.00 179.45 180.31 2wh1 h LYS 97 N -0.73 0.00 -0.91 3.15 1.57 -1.04 -1.42 116.57 117.19 2wh1 h LYS 97 Ca -0.19 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.74 2wh1 h LYS 97 Cb 1.37 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.58 2wh1 h LYS 97 CO -0.02 0.53 0.51 1.25 -0.57 0.00 0.00 179.45 181.14 2wh1 h LEU 98 N 0.00 0.64 0.05 2.94 5.85 -1.25 0.52 115.31 124.05 2wh1 h LEU 98 Ca -0.01 0.09 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 2wh1 h LEU 98 Cb 1.12 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.14 2wh1 h LEU 98 CO 0.07 0.26 -0.52 -0.78 -0.34 0.00 0.00 178.44 177.13 2wh1 h ASP 99 N 0.70 0.38 0.00 1.25 -0.00 -1.64 -3.35 116.42 113.76 2wh1 h ASP 99 Ca 0.50 -0.85 0.00 0.00 -0.00 0.00 0.00 57.03 56.68 2wh1 h ASP 99 Cb 0.71 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 39.92 2wh1 h ASP 99 CO -0.36 1.19 0.00 -0.62 -0.00 0.00 0.00 179.24 179.45 2wh1 n GLU 100 N -4.30 0.00 0.00 0.28 -0.58 0.18 -0.95 120.64 115.28 2wh1 n GLU 100 Ca -0.11 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 2wh1 n GLU 100 Cb 0.66 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.06 2wh1 n GLU 100 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2wh1 n LEU 101 N -2.25 0.00 -0.01 -4.62 4.32 0.16 -0.41 117.00 114.19 2wh1 n LEU 101 Ca 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.98 2wh1 n LEU 101 Cb 0.00 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 2wh1 n LEU 101 CO 0.00 0.00 -0.57 0.00 -1.22 0.00 0.00 177.39 175.60 2wh1 n TYR 102 N -0.69 0.00 0.23 -1.77 9.36 -0.91 -4.49 117.16 118.90 2wh1 n TYR 102 Ca 0.00 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.30 2wh1 n TYR 102 Cb 0.00 -0.11 0.15 0.00 -0.63 0.00 0.00 39.34 38.75 2wh1 n TYR 102 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2wh1 n HIS 103 N -2.10 0.33 -0.60 2.98 8.25 -0.12 -3.65 115.22 120.30 2wh1 n HIS 103 Ca -0.04 -0.24 0.07 0.00 -0.26 0.00 0.00 57.72 57.25 2wh1 n HIS 103 Cb 0.57 -0.01 0.16 0.00 1.12 0.00 0.00 29.99 31.84 2wh1 n HIS 103 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2wh1 n GLN 104 N 0.97 2.62 0.00 -0.41 1.13 0.46 -3.46 117.38 118.69 2wh1 n GLN 104 Ca 0.13 -2.34 0.00 0.00 -1.94 0.00 0.00 57.00 52.85 2wh1 n GLN 104 Cb 0.46 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.34 2wh1 n GLN 104 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 2wh1 n THR 105 N -0.38 0.00 0.00 5.09 5.66 -1.25 -4.58 114.28 118.81 2wh1 n THR 105 Ca 0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 2wh1 n THR 105 Cb 0.60 0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 2wh1 n THR 105 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2wh1 n LEU 106 N -1.59 0.32 0.00 1.09 4.77 -1.24 -4.10 117.00 116.25 2wh1 n LEU 106 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2wh1 n LEU 106 Cb 0.11 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2wh1 n LEU 106 CO 0.00 -0.42 0.07 0.18 -1.33 0.00 0.00 177.39 175.89 2wh1 n LEU 107 N -1.95 0.00 -3.59 2.23 4.77 -1.22 -4.25 117.00 112.99 2wh1 n LEU 107 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 2wh1 n LEU 107 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2wh1 n LEU 107 CO 0.00 0.00 2.39 -3.20 -1.33 0.00 0.00 177.39 175.25 2wh1 n ASN 108 N -0.55 3.55 -3.59 -1.43 5.15 -1.26 -4.84 115.26 112.29 2wh1 n ASN 108 Ca 0.00 -2.68 -0.16 0.00 -0.60 0.00 0.00 54.58 51.14 2wh1 n ASN 108 Cb 0.00 -1.30 -0.07 0.00 -0.53 0.00 0.00 39.78 37.88 2wh1 n ASN 108 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 2wh1 s PHE 109 N 4.11 -0.56 0.00 1.20 -0.71 -1.26 -5.05 117.98 115.71 2wh1 s PHE 109 Ca 0.53 1.03 0.00 0.00 -1.04 0.00 0.00 56.93 57.45 2wh1 s PHE 109 Cb 0.14 0.31 0.00 0.00 -1.21 0.00 0.00 43.02 42.26 2wh1 s PHE 109 CO 0.03 -0.52 0.00 -2.30 -1.34 0.00 0.00 175.22 171.09 2wh1 n PRO 110 N 1.28 0.00 -3.84 1.99 -0.02 -1.26 -4.04 135.00 129.11 2wh1 n PRO 110 Ca -0.19 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.94 2wh1 n PRO 110 Cb 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 33.50 33.92 2wh1 n PRO 110 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wh1 s HIS 111 N 0.00 3.63 -0.10 6.00 3.76 -1.26 -4.86 115.29 122.46 2wh1 s HIS 111 Ca 0.00 -2.58 0.01 0.00 -0.15 0.00 0.00 55.06 52.35 2wh1 s HIS 111 Cb 0.00 -3.15 -0.07 0.00 1.11 0.00 0.00 32.58 30.47 2wh1 s HIS 111 CO 0.00 -0.96 -0.08 0.00 -0.85 0.00 0.00 174.74 172.84 2wh1 n ALA 112 N 4.48 1.78 0.00 -1.40 0.00 -1.26 -4.62 120.51 119.50 2wh1 n ALA 112 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2wh1 n ALA 112 Cb 0.41 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2wh1 n ALA 112 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wh1 n GLU 113 N -2.77 0.00 -2.15 0.00 0.00 -1.26 -2.76 120.64 111.70 2wh1 n GLU 113 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 57.16 56.69 2wh1 n GLU 113 Cb 0.70 -1.21 0.03 0.00 0.00 0.00 0.00 31.44 30.95 2wh1 n GLU 113 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2wh1 s LYS 114 N -1.78 3.16 0.15 3.44 3.01 -1.26 -3.24 119.74 123.23 2wh1 s LYS 114 Ca 0.00 0.36 -0.30 0.00 -1.01 0.00 0.00 55.97 55.02 2wh1 s LYS 114 Cb 0.00 -2.16 -0.07 0.00 -1.01 0.00 0.00 37.83 34.59 2wh1 s LYS 114 CO 0.00 -0.69 1.08 -0.80 0.51 0.00 0.00 175.35 175.44 2wh1 s ASN 115 N -4.26 7.30 0.72 2.83 0.02 -1.26 -2.48 114.94 117.82 2wh1 s ASN 115 Ca 0.54 2.02 -0.03 0.00 -1.02 0.00 0.00 52.86 54.37 2wh1 s ASN 115 Cb -0.11 -2.60 0.11 0.00 0.02 0.00 0.00 41.25 38.67 2wh1 s ASN 115 CO 0.49 -0.21 1.00 0.00 0.02 0.00 0.00 177.10 178.41 2wh1 s ALA 116 N -0.06 3.45 -0.38 0.60 0.00 -0.91 0.59 121.76 125.05 2wh1 s ALA 116 Ca 0.50 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 51.04 2wh1 s ALA 116 Cb -0.28 -2.23 0.16 0.00 0.00 0.00 0.00 23.12 20.77 2wh1 s ALA 116 CO 0.33 -1.44 0.38 0.42 0.00 0.00 0.00 175.76 175.45 2wh1 s ILE 117 N -3.19 -0.30 0.44 0.00 1.01 0.71 -0.47 121.20 119.39 2wh1 s ILE 117 Ca 0.65 -1.08 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 2wh1 s ILE 117 Cb -0.07 -0.68 -0.10 0.00 0.01 0.00 0.00 42.46 41.62 2wh1 s ILE 117 CO 0.44 -0.61 0.97 -0.76 0.00 0.00 0.00 174.94 174.99 2wh1 s LEU 118 N 1.33 3.93 -0.03 2.97 1.02 -1.06 -2.81 118.68 124.03 2wh1 s LEU 118 Ca 0.18 1.75 0.00 0.00 0.02 0.00 0.00 54.13 56.08 2wh1 s LEU 118 Cb -0.15 -4.52 0.03 0.00 0.02 0.00 0.00 46.19 41.57 2wh1 s LEU 118 CO -0.03 -0.45 0.00 -0.89 0.02 0.00 0.00 176.35 175.01 2wh1 s THR 119 N -2.11 0.18 -0.24 5.49 2.01 0.74 -1.89 115.64 119.82 2wh1 s THR 119 Ca 0.63 0.11 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 2wh1 s THR 119 Cb -0.11 -0.30 0.02 0.00 0.01 0.00 0.00 72.50 72.13 2wh1 s THR 119 CO 0.15 0.16 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 2wh1 s ILE 120 N 1.20 2.82 -0.12 1.82 1.01 -0.03 -0.80 121.20 127.10 2wh1 s ILE 120 Ca -0.07 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.60 2wh1 s ILE 120 Cb -0.13 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 39.93 2wh1 s ILE 120 CO -0.02 0.23 -0.20 -1.10 0.00 0.00 0.00 174.94 173.84 2wh1 s GLN 121 N 1.32 2.75 -0.11 2.79 -0.21 -0.34 -2.86 119.66 123.00 2wh1 s GLN 121 Ca 0.01 -0.76 -0.29 0.00 0.02 0.00 0.00 55.36 54.33 2wh1 s GLN 121 Cb -0.16 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2wh1 s GLN 121 CO -0.05 0.01 1.61 -1.25 -2.12 0.00 0.00 175.29 173.49 2wh1 s PRO 122 N 0.76 4.07 0.00 2.91 0.04 -1.26 -0.11 135.00 141.40 2wh1 s PRO 122 Ca -0.10 1.99 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2wh1 s PRO 122 Cb -0.16 -3.98 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2wh1 s PRO 122 CO 0.01 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2wh1 n GLY 123 N 4.24 -1.20 3.81 0.56 0.00 0.22 -4.88 105.19 107.95 2wh1 n GLY 123 Ca 0.17 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 2wh1 n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh1 s ALA 124 N -3.07 2.50 0.00 4.61 0.00 -1.24 -4.24 121.76 120.32 2wh1 s ALA 124 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2wh1 s ALA 124 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2wh1 s ALA 124 CO 0.00 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.74 2wh1 n GLY 125 N -1.86 1.07 7.00 0.00 0.00 -1.26 -2.72 105.19 107.42 2wh1 n GLY 125 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2wh1 n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh1 n GLY 126 N -1.29 1.82 0.26 -0.02 0.00 -1.26 -1.17 105.19 103.54 2wh1 n GLY 126 Ca 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 2wh1 n GLY 126 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2wh1 h THR 127 N 0.00 1.25 0.63 2.61 2.02 -1.94 -1.80 112.91 115.68 2wh1 h THR 127 Ca 0.00 -1.12 -0.02 0.00 0.77 0.00 0.00 66.41 66.04 2wh1 h THR 127 Cb 0.00 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2wh1 h THR 127 CO 0.00 0.37 -0.39 -0.33 0.37 0.00 0.00 175.52 175.54 2wh1 h GLU 128 N 0.54 -0.93 -0.54 6.66 4.39 -1.51 -2.01 114.58 121.19 2wh1 h GLU 128 Ca 0.09 0.06 0.16 0.00 0.34 0.00 0.00 59.36 60.01 2wh1 h GLU 128 Cb 0.56 0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2wh1 h GLU 128 CO 0.04 -0.62 0.41 0.00 -1.16 0.00 0.00 179.01 177.68 2wh1 h ALA 129 N -0.69 2.44 0.00 3.43 0.00 -1.48 0.38 119.26 123.34 2wh1 h ALA 129 Ca -0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 2wh1 h ALA 129 Cb 0.79 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2wh1 h ALA 129 CO 0.07 -0.69 -0.60 0.00 0.00 0.00 0.00 179.25 178.04 2wh1 h ASP 131 N 0.00 0.00 -0.74 0.00 3.58 0.25 0.42 116.42 119.92 2wh1 h ASP 131 Ca -0.01 -0.44 0.22 0.00 0.42 0.00 0.00 57.03 57.22 2wh1 h ASP 131 Cb 1.07 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 2wh1 h ASP 131 CO 0.08 0.94 0.67 -0.25 -2.88 0.00 0.00 179.24 177.81 2wh1 h TRP 132 N -1.00 0.00 0.06 0.28 -0.00 -0.59 0.90 115.95 115.59 2wh1 h TRP 132 Ca -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.80 2wh1 h TRP 132 Cb 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.89 2wh1 h TRP 132 CO 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 178.44 178.48 2wh1 h ALA 133 N 1.35 -0.08 -0.52 2.65 0.00 -1.33 -2.04 119.26 119.29 2wh1 h ALA 133 Ca 0.35 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2wh1 h ALA 133 Cb 1.70 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2wh1 h ALA 133 CO -0.00 -0.33 0.36 1.49 0.00 0.00 0.00 179.25 180.76 2wh1 h GLU 134 N -0.52 0.28 -0.08 0.00 4.81 0.88 -0.75 114.58 119.19 2wh1 h GLU 134 Ca -0.01 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2wh1 h GLU 134 Cb 0.45 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2wh1 h GLU 134 CO 0.01 0.18 -0.18 0.52 -0.73 0.00 0.00 179.01 178.82 2wh1 h MET 135 N 0.28 0.26 -0.02 1.92 2.86 -1.09 -2.52 114.93 116.63 2wh1 h MET 135 Ca 0.24 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2wh1 h MET 135 Cb 0.58 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 2wh1 h MET 135 CO -0.05 0.77 0.13 -0.07 1.06 0.00 0.00 176.91 178.75 2wh1 h LEU 136 N -0.21 0.00 0.19 1.22 3.38 -0.43 -1.79 115.31 117.67 2wh1 h LEU 136 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2wh1 h LEU 136 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2wh1 h LEU 136 CO 0.04 0.00 -0.09 0.25 0.09 0.00 0.00 178.44 178.73 2wh1 h LEU 137 N 0.00 -0.21 -1.17 1.67 7.12 -0.86 -3.26 115.31 118.59 2wh1 h LEU 137 Ca 0.01 0.01 0.37 0.00 0.13 0.00 0.00 57.88 58.40 2wh1 h LEU 137 Cb 0.27 0.05 -0.14 0.00 -0.53 0.00 0.00 40.66 40.31 2wh1 h LEU 137 CO -0.00 0.08 0.67 -0.09 -0.13 0.00 0.00 178.44 178.97 2wh1 h ARG 138 N -0.71 0.19 0.00 1.25 2.43 -0.94 -2.85 114.38 113.75 2wh1 h ARG 138 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wh1 h ARG 138 Cb 0.19 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2wh1 h ARG 138 CO 0.04 0.13 0.00 -0.12 -1.51 0.00 0.00 179.97 178.51 2wh1 n MET 139 N -4.92 0.00 -0.32 0.20 1.56 -0.77 -0.98 117.12 111.90 2wh1 n MET 139 Ca 0.34 0.30 0.20 0.00 -0.27 0.00 0.00 57.70 58.27 2wh1 n MET 139 Cb 1.18 -1.07 0.46 0.00 2.15 0.00 0.00 33.22 35.94 2wh1 n MET 139 CO 0.00 0.00 0.00 1.88 -0.73 0.00 0.00 175.97 177.12 2wh1 h TYR 140 N 0.00 0.76 0.33 1.12 0.05 -1.60 -0.27 116.97 117.35 2wh1 h TYR 140 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2wh1 h TYR 140 Cb 0.00 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2wh1 h TYR 140 CO -0.04 0.11 -0.28 1.15 -1.05 0.00 0.00 178.16 178.05 2wh1 h THR 141 N 0.49 0.00 -0.17 -2.88 2.02 -1.40 1.25 112.91 112.23 2wh1 h THR 141 Ca 0.57 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.80 2wh1 h THR 141 Cb 1.29 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 2wh1 h THR 141 CO -0.31 0.00 -0.34 0.03 0.37 0.00 0.00 175.52 175.27 2wh1 h ARG 142 N -0.59 -0.38 0.00 6.66 2.47 -0.42 0.99 114.38 123.10 2wh1 h ARG 142 Ca -0.04 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2wh1 h ARG 142 Cb 0.50 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2wh1 h ARG 142 CO -0.01 -0.26 0.00 0.34 0.56 0.00 0.00 179.97 180.60 2wh1 n PHE 143 N -5.42 0.00 -0.38 3.04 7.35 -0.17 0.10 117.46 121.99 2wh1 n PHE 143 Ca -0.03 0.00 0.32 0.00 -0.76 0.00 0.00 57.45 56.98 2wh1 n PHE 143 Cb 0.34 -0.12 0.63 0.00 0.35 0.00 0.00 39.48 40.67 2wh1 n PHE 143 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wh1 h ALA 144 N -1.83 2.69 0.02 3.13 0.00 0.17 0.45 119.26 123.90 2wh1 h ALA 144 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wh1 h ALA 144 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2wh1 h ALA 144 CO 0.00 -1.15 -0.01 1.49 0.00 0.00 0.00 179.25 179.58 2wh1 h GLU 145 N 0.19 -0.03 0.00 0.00 4.81 0.24 -2.14 114.58 117.65 2wh1 h GLU 145 Ca 0.67 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.90 2wh1 h GLU 145 Cb 2.12 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.50 2wh1 h GLU 145 CO -0.24 -0.02 0.00 0.07 -0.73 0.00 0.00 179.01 178.10 2wh1 h ARG 146 N -0.03 0.00 0.00 1.92 -0.00 0.51 -1.46 114.38 115.33 2wh1 h ARG 146 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2wh1 h ARG 146 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.99 2wh1 h ARG 146 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 179.97 180.91 2wh1 n GLN 147 N -2.81 0.73 -1.89 0.08 -0.06 0.15 -4.89 117.38 108.69 2wh1 n GLN 147 Ca -0.02 0.01 -0.02 0.00 -2.00 0.00 0.00 57.00 54.97 2wh1 n GLN 147 Cb 0.10 -1.50 0.01 0.00 -4.06 0.00 0.00 30.24 24.79 2wh1 n GLN 147 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2wh1 n GLY 148 N 0.63 0.03 3.01 1.69 0.00 -0.55 -5.01 105.19 104.98 2wh1 n GLY 148 Ca 0.18 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 2wh1 n GLY 148 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wh1 s PHE 149 N -3.05 -0.35 -0.24 1.61 0.08 -0.82 -4.92 117.98 110.29 2wh1 s PHE 149 Ca 0.06 0.83 -0.29 0.00 0.12 0.00 0.00 56.93 57.66 2wh1 s PHE 149 Cb -0.01 -0.02 -0.03 0.00 -0.57 0.00 0.00 43.02 42.39 2wh1 s PHE 149 CO 0.17 -0.28 1.77 -0.65 -0.10 0.00 0.00 175.22 176.13 2wh1 s GLN 150 N 1.82 3.60 -0.30 0.44 -1.52 0.42 -4.39 119.66 119.74 2wh1 s GLN 150 Ca -0.04 1.69 -0.10 0.00 -1.95 0.00 0.00 55.36 54.97 2wh1 s GLN 150 Cb -0.11 -4.14 -0.02 0.00 -0.22 0.00 0.00 33.01 28.52 2wh1 s GLN 150 CO -0.08 -1.54 0.16 0.08 -0.25 0.00 0.00 175.29 173.65 2wh1 s VAL 151 N 6.04 4.84 -0.17 1.09 1.01 -1.26 0.08 120.40 132.03 2wh1 s VAL 151 Ca 0.79 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 2wh1 s VAL 151 Cb -0.26 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2wh1 s VAL 151 CO 0.32 0.16 -0.03 -0.70 0.00 0.00 0.00 175.10 174.85 2wh1 s GLU 152 N 1.67 3.62 -0.45 2.72 2.12 -1.00 -4.96 118.70 122.42 2wh1 s GLU 152 Ca 0.06 -0.54 -0.24 0.00 0.36 0.00 0.00 54.97 54.61 2wh1 s GLU 152 Cb -0.16 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.29 2wh1 s GLU 152 CO 0.08 0.14 0.85 0.08 -0.54 0.00 0.00 175.26 175.86 2wh1 s VAL 153 N 0.64 4.58 -0.00 3.70 1.01 -1.26 0.95 120.40 130.02 2wh1 s VAL 153 Ca -0.02 0.61 -0.00 0.00 0.00 0.00 0.00 61.98 62.56 2wh1 s VAL 153 Cb -0.14 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.87 2wh1 s VAL 153 CO 0.02 -0.74 0.24 0.58 0.00 0.00 0.00 175.10 175.20 2wh1 h VAL 154 N 6.00 0.00 -2.74 2.92 2.07 -1.27 -3.48 116.25 119.75 2wh1 h VAL 154 Ca -0.24 -0.02 -0.48 0.00 0.82 0.00 0.00 66.70 66.78 2wh1 h VAL 154 Cb 1.08 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.71 2wh1 h VAL 154 CO 0.99 0.00 -0.70 -1.81 0.02 0.00 0.00 177.57 176.07 2wh1 s ASP 155 N -2.81 2.69 -0.32 0.57 1.11 -0.53 -4.96 116.67 112.41 2wh1 s ASP 155 Ca -0.00 -1.13 0.01 0.00 0.18 0.00 0.00 52.55 51.60 2wh1 s ASP 155 Cb 0.00 -0.15 0.19 0.00 1.07 0.00 0.00 42.92 44.03 2wh1 s ASP 155 CO 0.00 -0.28 0.76 -0.22 1.18 0.00 0.00 175.17 176.61 2wh1 s LEU 156 N -3.40 -1.18 -0.59 1.23 2.96 -1.26 -2.78 118.68 113.67 2wh1 s LEU 156 Ca 0.27 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.95 2wh1 s LEU 156 Cb 0.02 1.65 0.15 0.00 0.50 0.00 0.00 46.19 48.51 2wh1 s LEU 156 CO 0.10 -0.19 0.49 -0.89 -1.32 0.00 0.00 176.35 174.55 2wh1 s THR 157 N 2.52 4.70 -0.81 3.68 2.01 -0.49 -4.99 115.64 122.26 2wh1 s THR 157 Ca 0.16 -2.05 -0.25 0.00 0.31 0.00 0.00 61.69 59.86 2wh1 s THR 157 Cb -0.05 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 2wh1 s THR 157 CO -0.19 -0.87 2.04 -2.16 -0.69 0.00 0.00 174.62 172.75 2wh1 s PRO 158 N 0.94 2.36 0.70 4.92 0.04 -1.26 0.31 135.00 143.00 2wh1 s PRO 158 Ca 0.10 0.10 -0.05 0.00 0.04 0.00 0.00 61.00 61.18 2wh1 s PRO 158 Cb -0.22 -4.87 0.08 0.00 0.04 0.00 0.00 34.50 29.53 2wh1 s PRO 158 CO -0.02 -3.46 0.18 0.41 0.04 0.00 0.00 177.00 174.14 2wh1 n GLY 159 N 6.60 -0.82 0.00 0.56 0.00 -1.22 -4.84 105.19 105.48 2wh1 n GLY 159 Ca 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wh1 n GLY 159 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wh1 n PRO 160 N 1.15 0.00 -0.05 1.61 -0.02 -1.26 -4.48 135.00 131.96 2wh1 n PRO 160 Ca 0.03 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.34 2wh1 n PRO 160 Cb 0.12 -0.35 -0.13 0.00 -0.02 0.00 0.00 33.50 33.12 2wh1 n PRO 160 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wh1 h GLU 161 N 0.00 0.08 -3.93 -0.52 5.08 -1.97 -3.49 114.58 109.83 2wh1 h GLU 161 Ca 0.00 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2wh1 h GLU 161 Cb 0.00 0.05 -0.15 0.00 0.50 0.00 0.00 28.75 29.15 2wh1 h GLU 161 CO 0.00 1.06 -0.47 0.00 -1.00 0.00 0.00 179.01 178.60 2wh1 s ALA 162 N -2.31 -0.01 0.00 3.43 0.00 -1.26 -5.11 121.76 116.51 2wh1 s ALA 162 Ca -0.20 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2wh1 s ALA 162 Cb -0.00 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.53 2wh1 s ALA 162 CO 0.70 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.42 2wh1 n GLY 163 N 0.05 2.43 3.32 0.00 0.00 -1.26 -4.16 105.19 105.58 2wh1 n GLY 163 Ca -0.15 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2wh1 n GLY 163 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wh1 s ILE 164 N 0.00 0.14 0.00 -0.61 -4.36 0.14 -3.37 121.20 113.14 2wh1 s ILE 164 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 2wh1 s ILE 164 Cb 0.00 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.24 2wh1 s ILE 164 CO 0.00 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.65 2wh1 n ASP 165 N -1.34 4.56 -3.84 4.36 8.00 0.15 -4.30 116.55 124.15 2wh1 n ASP 165 Ca 0.04 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.43 2wh1 n ASP 165 Cb 0.63 0.34 -0.08 0.00 -0.02 0.00 0.00 41.12 41.99 2wh1 n ASP 165 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2wh1 s TYR 166 N -1.97 0.04 -0.27 1.24 6.14 -1.18 -4.19 117.35 117.16 2wh1 s TYR 166 Ca 0.00 -0.26 -0.25 0.00 0.64 0.00 0.00 57.07 57.19 2wh1 s TYR 166 Cb 0.00 -0.02 0.10 0.00 0.42 0.00 0.00 41.96 42.46 2wh1 s TYR 166 CO 0.00 -0.44 0.88 0.00 0.64 0.00 0.00 175.55 176.63 2wh1 s ALA 167 N -2.61 -1.88 -0.19 3.97 0.00 -1.14 -1.39 121.76 118.52 2wh1 s ALA 167 Ca -0.05 1.94 -0.09 0.00 0.00 0.00 0.00 51.96 53.76 2wh1 s ALA 167 Cb -0.01 -1.30 0.07 0.00 0.00 0.00 0.00 23.12 21.89 2wh1 s ALA 167 CO -0.04 -0.29 0.44 -1.14 0.00 0.00 0.00 175.76 174.73 2wh1 s GLN 168 N 0.28 0.40 0.02 0.00 0.74 -1.12 -0.85 119.66 119.13 2wh1 s GLN 168 Ca 0.01 0.89 -0.01 0.00 0.05 0.00 0.00 55.36 56.30 2wh1 s GLN 168 Cb -0.05 0.08 -0.02 0.00 1.10 0.00 0.00 33.01 34.12 2wh1 s GLN 168 CO -0.03 -0.18 -0.00 0.96 -0.55 0.00 0.00 175.29 175.49 2wh1 s ILE 169 N 1.72 0.12 0.26 -2.34 -4.36 -0.79 -0.72 121.20 115.09 2wh1 s ILE 169 Ca -0.08 -1.02 -0.18 0.00 -0.26 0.00 0.00 60.65 59.11 2wh1 s ILE 169 Cb -0.09 -0.49 -0.09 0.00 1.25 0.00 0.00 42.46 43.04 2wh1 s ILE 169 CO -0.13 -0.56 0.73 -0.22 0.24 0.00 0.00 174.94 175.00 2wh1 s LEU 170 N -1.70 4.23 -0.56 0.37 2.96 0.27 -2.57 118.68 121.68 2wh1 s LEU 170 Ca -0.12 1.37 0.04 0.00 -0.22 0.00 0.00 54.13 55.20 2wh1 s LEU 170 Cb -0.07 -3.78 0.14 0.00 0.50 0.00 0.00 46.19 42.98 2wh1 s LEU 170 CO -0.02 -0.06 0.32 -0.69 -1.32 0.00 0.00 176.35 174.58 2wh1 s VAL 171 N -1.70 2.55 -0.40 1.68 1.01 0.38 -2.37 120.40 121.55 2wh1 s VAL 171 Ca 0.47 -3.52 -0.29 0.00 0.00 0.00 0.00 61.98 58.65 2wh1 s VAL 171 Cb -0.14 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.52 2wh1 s VAL 171 CO 0.20 -0.87 1.18 -0.54 0.00 0.00 0.00 175.10 175.06 2wh1 s LYS 172 N -0.56 3.83 0.00 2.72 1.02 0.11 -2.14 119.74 124.72 2wh1 s LYS 172 Ca 0.19 0.85 0.00 0.00 0.02 0.00 0.00 55.97 57.03 2wh1 s LYS 172 Cb -0.20 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.24 2wh1 s LYS 172 CO -0.05 -1.24 0.00 0.41 -0.92 0.00 0.00 175.35 173.56 2wh1 n GLY 173 N 4.53 -1.71 3.84 -3.33 0.00 -1.26 -0.43 105.19 106.82 2wh1 n GLY 173 Ca 0.13 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.64 2wh1 n GLY 173 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wh1 s GLU 174 N -1.58 3.74 -1.30 1.61 1.03 -1.26 -4.03 118.70 116.92 2wh1 s GLU 174 Ca 0.00 0.09 0.00 0.00 0.03 0.00 0.00 54.97 55.09 2wh1 s GLU 174 Cb 0.00 -3.24 0.00 0.00 -0.80 0.00 0.00 34.13 30.09 2wh1 s GLU 174 CO 0.00 0.66 0.00 0.09 -1.33 0.00 0.00 175.26 174.68 2wh1 n ASN 175 N 2.19 -5.20 -0.23 0.83 3.02 -1.20 -4.81 115.26 109.86 2wh1 n ASN 175 Ca -0.17 0.30 -0.01 0.00 -0.03 0.00 0.00 54.58 54.68 2wh1 n ASN 175 Cb 0.54 -4.04 0.10 0.00 -0.61 0.00 0.00 39.78 35.77 2wh1 n ASN 175 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh1 h ALA 176 N 0.11 0.89 0.29 5.41 0.00 -1.65 -0.55 119.26 123.77 2wh1 h ALA 176 Ca -0.25 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2wh1 h ALA 176 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wh1 h ALA 176 CO 0.37 0.01 -0.14 -0.92 0.00 0.00 0.00 179.25 178.56 2wh1 h TYR 177 N 0.64 -0.36 -0.63 0.00 3.20 -1.35 -0.52 116.97 117.94 2wh1 h TYR 177 Ca 0.30 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.35 2wh1 h TYR 177 Cb 0.23 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2wh1 h TYR 177 CO -0.09 -0.07 0.59 0.78 -1.64 0.00 0.00 178.16 177.73 2wh1 h GLY 178 N -0.64 0.00 0.00 1.82 0.00 -1.26 0.47 103.07 103.45 2wh1 h GLY 178 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2wh1 h GLY 178 CO 0.07 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.99 2wh1 h LEU 179 N 0.00 0.00 -1.65 3.11 3.38 -0.78 -3.36 115.31 116.01 2wh1 h LEU 179 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2wh1 h LEU 179 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2wh1 h LEU 179 CO -0.00 0.06 0.00 0.18 0.09 0.00 0.00 178.44 178.77 2wh1 n LEU 180 N -2.38 1.06 -0.08 1.67 4.77 -0.23 -3.70 117.00 118.10 2wh1 n LEU 180 Ca -0.00 -0.53 -0.22 0.00 -0.03 0.00 0.00 56.01 55.23 2wh1 n LEU 180 Cb 0.01 -0.23 -0.12 0.00 -2.33 0.00 0.00 43.42 40.75 2wh1 n LEU 180 CO 0.01 0.19 -0.57 0.77 -1.33 0.00 0.00 177.39 176.45 2wh1 h SER 181 N 0.89 0.08 0.16 -1.43 4.64 -1.06 -3.37 113.55 113.47 2wh1 h SER 181 Ca 0.00 -0.59 -0.00 0.00 -0.47 0.00 0.00 61.79 60.72 2wh1 h SER 181 Cb 0.38 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2wh1 h SER 181 CO 0.00 1.56 -0.02 1.55 -0.87 0.00 0.00 176.83 179.05 2wh1 h PRO 182 N -0.80 0.00 -0.38 4.77 0.13 -1.83 -0.57 132.00 133.33 2wh1 h PRO 182 Ca -0.36 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.78 2wh1 h PRO 182 Cb 1.44 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.55 2wh1 h PRO 182 CO -0.15 0.02 0.25 0.93 -0.23 0.00 0.00 178.00 178.82 2wh1 h GLU 183 N 0.00 0.45 -6.12 0.86 4.39 -1.81 -3.42 114.58 108.93 2wh1 h GLU 183 Ca -0.00 -0.03 -0.71 0.00 0.34 0.00 0.00 59.36 58.96 2wh1 h GLU 183 Cb 0.10 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2wh1 h GLU 183 CO 0.00 0.30 1.06 0.00 -1.16 0.00 0.00 179.01 179.21 2wh1 n ALA 184 N -2.49 0.25 0.00 3.43 0.00 -0.22 -4.69 120.51 116.79 2wh1 n ALA 184 Ca 0.03 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2wh1 n ALA 184 Cb 0.10 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.23 2wh1 n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh1 n GLY 185 N 4.89 -0.01 3.76 0.00 0.00 0.59 -4.99 105.19 109.43 2wh1 n GLY 185 Ca 0.30 -1.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 2wh1 n GLY 185 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wh1 s VAL 186 N -2.15 4.60 -0.19 1.61 1.01 -1.26 -1.77 120.40 122.24 2wh1 s VAL 186 Ca 0.00 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.62 2wh1 s VAL 186 Cb 0.00 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.31 2wh1 s VAL 186 CO 0.00 0.43 -0.07 -1.00 0.00 0.00 0.00 175.10 174.46 2wh1 s HIS 187 N -0.51 2.05 0.32 5.22 4.02 -0.98 -1.55 115.29 123.87 2wh1 s HIS 187 Ca 0.37 -1.36 -0.05 0.00 1.02 0.00 0.00 55.06 55.03 2wh1 s HIS 187 Cb -0.21 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.58 29.83 2wh1 s HIS 187 CO 0.24 -0.69 0.60 0.50 1.02 0.00 0.00 174.74 176.41 2wh1 s ARG 188 N 1.52 3.64 -0.04 1.40 3.52 -1.21 -2.25 118.95 125.52 2wh1 s ARG 188 Ca -0.01 0.07 -0.02 0.00 -0.13 0.00 0.00 55.73 55.64 2wh1 s ARG 188 Cb -0.16 -2.59 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 2wh1 s ARG 188 CO -0.08 0.15 0.07 -1.17 -0.81 0.00 0.00 175.30 173.46 2wh1 s LEU 189 N -3.71 0.35 -0.11 -0.88 1.98 0.56 -1.27 118.68 115.59 2wh1 s LEU 189 Ca 0.45 0.11 0.03 0.00 -2.89 0.00 0.00 54.13 51.83 2wh1 s LEU 189 Cb -0.11 -0.06 -0.00 0.00 0.66 0.00 0.00 46.19 46.68 2wh1 s LEU 189 CO 0.31 -0.22 -0.22 -0.69 -1.89 0.00 0.00 176.35 173.65 2wh1 s VAL 190 N 1.90 2.25 0.00 1.68 1.01 0.14 0.87 120.40 128.24 2wh1 s VAL 190 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2wh1 s VAL 190 Cb -0.12 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2wh1 s VAL 190 CO -0.03 0.55 0.00 -2.11 0.00 0.00 0.00 175.10 173.51 2wh1 n ARG 191 N 3.63 0.00 -2.00 2.72 1.85 -1.21 -2.35 116.66 119.30 2wh1 n ARG 191 Ca -0.19 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.25 2wh1 n ARG 191 Cb 0.53 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.92 2wh1 n ARG 191 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2wh1 s PRO 192 N -2.00 4.26 -0.27 2.89 0.02 -1.26 -2.95 135.00 135.70 2wh1 s PRO 192 Ca 0.00 2.33 -0.28 0.00 0.02 0.00 0.00 61.00 63.07 2wh1 s PRO 192 Cb 0.00 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 2wh1 s PRO 192 CO 0.00 -0.40 2.10 -1.12 -0.33 0.00 0.00 177.00 177.25 2wh1 s SER 193 N 0.19 5.52 0.50 2.53 0.01 0.25 -4.82 113.70 117.87 2wh1 s SER 193 Ca 0.57 1.65 0.32 0.00 1.31 0.00 0.00 55.95 59.80 2wh1 s SER 193 Cb -0.42 -2.51 1.73 0.00 0.21 0.00 0.00 66.02 65.03 2wh1 s SER 193 CO 0.47 -1.95 1.97 -0.65 0.41 0.00 0.00 173.24 173.49 2wh1 h PRO 194 N 14.68 0.00 0.01 12.44 0.11 -1.89 -2.27 132.00 155.08 2wh1 h PRO 194 Ca -0.38 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.42 2wh1 h PRO 194 Cb 1.22 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2wh1 h PRO 194 CO 0.99 0.00 -1.73 1.19 -0.21 0.00 0.00 178.00 178.24 2wh1 n PHE 195 N -2.65 0.71 -1.19 0.65 3.72 -1.26 -4.95 117.46 112.49 2wh1 n PHE 195 Ca -0.02 0.29 -0.37 0.00 -0.05 0.00 0.00 57.45 57.30 2wh1 n PHE 195 Cb 0.10 -1.07 0.05 0.00 -0.94 0.00 0.00 39.48 37.61 2wh1 n PHE 195 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2wh1 n ASP 196 N -4.27 -2.87 0.05 4.37 -0.08 -0.85 -4.93 116.55 107.97 2wh1 n ASP 196 Ca -0.39 0.52 -0.02 0.00 -1.51 0.00 0.00 54.79 53.39 2wh1 n ASP 196 Cb 0.78 -1.02 -0.01 0.00 2.34 0.00 0.00 41.12 43.21 2wh1 n ASP 196 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wh1 h ALA 197 N -0.43 -1.02 -0.07 -1.67 0.00 -1.93 -3.24 119.26 110.90 2wh1 h ALA 197 Ca -0.44 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 2wh1 h ALA 197 Cb 1.37 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2wh1 h ALA 197 CO 0.38 -1.02 0.05 -1.13 0.00 0.00 0.00 179.25 177.54 2wh1 n SER 198 N -2.33 5.51 -3.48 0.00 3.41 -1.26 -4.79 113.62 110.68 2wh1 n SER 198 Ca -0.01 -2.51 -0.27 0.00 -0.26 0.00 0.00 58.87 55.82 2wh1 n SER 198 Cb 0.05 -1.13 -0.05 0.00 -0.26 0.00 0.00 64.21 62.82 2wh1 n SER 198 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wh1 n GLY 199 N 1.36 -0.25 3.53 5.00 0.00 -1.23 -4.84 105.19 108.77 2wh1 n GLY 199 Ca 0.05 0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 2wh1 n GLY 199 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wh1 s ARG 200 N -5.07 -0.99 -0.38 1.61 3.52 -1.26 -4.43 118.95 111.94 2wh1 s ARG 200 Ca 0.51 0.44 -0.14 0.00 -0.13 0.00 0.00 55.73 56.41 2wh1 s ARG 200 Cb -0.30 -1.58 0.01 0.00 -1.56 0.00 0.00 34.95 31.52 2wh1 s ARG 200 CO 0.66 -3.66 0.26 0.50 -0.81 0.00 0.00 175.30 172.25 2wh1 s ARG 201 N -4.88 3.10 0.21 5.12 3.52 -1.26 0.85 118.95 125.60 2wh1 s ARG 201 Ca 0.68 -0.92 0.07 0.00 -0.13 0.00 0.00 55.73 55.43 2wh1 s ARG 201 Cb -0.18 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.28 2wh1 s ARG 201 CO 0.60 -0.65 -0.13 -1.01 -0.81 0.00 0.00 175.30 173.30 2wh1 s HIS 202 N 1.67 1.69 -0.03 5.12 3.76 -1.15 -4.90 115.29 121.44 2wh1 s HIS 202 Ca 0.05 -0.61 -0.01 0.00 -0.15 0.00 0.00 55.06 54.34 2wh1 s HIS 202 Cb -0.19 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 32.66 2wh1 s HIS 202 CO 0.09 0.32 0.06 0.99 -0.85 0.00 0.00 174.74 175.36 2wh1 s THR 203 N -3.02 4.66 0.14 1.30 2.01 -1.26 -3.33 115.64 116.15 2wh1 s THR 203 Ca 0.23 -0.35 0.11 0.00 0.31 0.00 0.00 61.69 61.98 2wh1 s THR 203 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 2wh1 s THR 203 CO 0.07 0.42 -0.23 -0.44 -0.69 0.00 0.00 174.62 173.74 2wh1 s SER 204 N -1.51 3.52 0.11 3.53 0.01 0.25 -4.71 113.70 114.90 2wh1 s SER 204 Ca 0.20 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.79 2wh1 s SER 204 Cb -0.12 -0.33 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2wh1 s SER 204 CO 0.11 0.16 -0.12 -0.36 0.41 0.00 0.00 173.24 173.44 2wh1 s PHE 205 N -1.25 1.24 0.18 2.43 0.40 -1.10 -0.33 117.98 119.55 2wh1 s PHE 205 Ca 0.17 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.76 2wh1 s PHE 205 Cb -0.10 -0.66 0.01 0.00 0.51 0.00 0.00 43.02 42.79 2wh1 s PHE 205 CO 0.08 0.08 0.41 0.00 0.70 0.00 0.00 175.22 176.49 2wh1 s ALA 206 N -2.27 -0.55 -0.07 5.36 0.00 -0.96 -0.61 121.76 122.67 2wh1 s ALA 206 Ca 0.07 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.58 2wh1 s ALA 206 Cb -0.04 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.92 2wh1 s ALA 206 CO 0.02 -0.73 -0.18 0.20 0.00 0.00 0.00 175.76 175.07 2wh1 s GLY 207 N -2.91 1.04 -0.29 0.00 0.00 0.84 -2.31 107.32 103.69 2wh1 s GLY 207 Ca 0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 44.14 2wh1 s GLY 207 CO -0.02 -0.16 0.08 0.14 0.00 0.00 0.00 173.10 173.13 2wh1 s VAL 208 N 0.40 0.95 0.24 1.40 1.01 -0.73 -1.20 120.40 122.47 2wh1 s VAL 208 Ca -0.14 -1.34 -0.06 0.00 0.00 0.00 0.00 61.98 60.44 2wh1 s VAL 208 Cb -0.16 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 2wh1 s VAL 208 CO 0.05 -0.58 0.51 -1.61 0.00 0.00 0.00 175.10 173.47 2wh1 s GLU 209 N 1.59 3.68 -0.05 2.72 2.02 0.02 -0.30 118.70 128.38 2wh1 s GLU 209 Ca 0.08 0.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.10 2wh1 s GLU 209 Cb -0.17 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.40 2wh1 s GLU 209 CO -0.21 0.30 0.12 0.08 0.02 0.00 0.00 175.26 175.57 2wh1 s VAL 210 N -1.91 -0.04 0.00 2.63 1.01 -1.26 -0.19 120.40 120.64 2wh1 s VAL 210 Ca 0.44 0.16 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 2wh1 s VAL 210 Cb -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2wh1 s VAL 210 CO 0.26 0.07 0.16 0.27 0.00 0.00 0.00 175.10 175.85 2wh1 s ILE 211 N 0.98 0.08 0.32 2.22 -4.36 -1.12 -4.89 121.20 114.43 2wh1 s ILE 211 Ca -0.08 -0.70 -0.27 0.00 -0.26 0.00 0.00 60.65 59.35 2wh1 s ILE 211 Cb -0.10 -0.49 -0.09 0.00 1.25 0.00 0.00 42.46 43.03 2wh1 s ILE 211 CO -0.04 -0.38 1.03 -2.16 0.24 0.00 0.00 174.94 173.63 2wh1 s PRO 212 N -1.48 4.51 0.07 0.37 0.04 -1.26 -0.21 135.00 137.04 2wh1 s PRO 212 Ca -0.14 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 2wh1 s PRO 212 Cb -0.07 -2.92 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 2wh1 s PRO 212 CO 0.01 0.15 1.10 -2.00 0.04 0.00 0.00 177.00 176.31 2wh1 s GLU 213 N -1.86 4.52 0.00 4.56 2.12 0.20 -4.90 118.70 123.35 2wh1 s GLU 213 Ca 0.49 1.64 0.00 0.00 0.36 0.00 0.00 54.97 57.46 2wh1 s GLU 213 Cb -0.25 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.77 2wh1 s GLU 213 CO 0.32 -0.10 0.00 1.55 -0.54 0.00 0.00 175.26 176.50 2wh1 n VAL 214 N 3.51 0.00 -1.71 3.70 3.14 -1.26 -4.60 118.33 121.12 2wh1 n VAL 214 Ca 0.06 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.01 2wh1 n VAL 214 Cb 0.48 -0.03 -0.02 0.00 -1.06 0.00 0.00 33.84 33.20 2wh1 n VAL 214 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2wh1 n ASP 215 N -0.69 3.44 0.00 6.55 2.03 -1.26 -4.88 116.55 121.75 2wh1 n ASP 215 Ca 0.00 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.44 2wh1 n ASP 215 Cb 0.00 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.88 2wh1 n ASP 215 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2wh1 n GLU 216 N 2.39 0.71 -3.33 -0.67 1.02 -1.26 -5.11 120.64 114.39 2wh1 n GLU 216 Ca 0.11 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.04 2wh1 n GLU 216 Cb 0.34 -0.77 0.01 0.00 -0.02 0.00 0.00 31.44 31.00 2wh1 n GLU 216 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2wh1 s GLU 217 N -1.54 2.47 -0.33 3.49 0.41 -1.26 -5.12 118.70 116.83 2wh1 s GLU 217 Ca 0.00 -1.60 -0.01 0.00 -0.41 0.00 0.00 54.97 52.95 2wh1 s GLU 217 Cb 0.00 -2.50 0.13 0.00 -1.78 0.00 0.00 34.13 29.98 2wh1 s GLU 217 CO 0.00 -0.51 0.19 0.54 -0.49 0.00 0.00 175.26 174.99 2wh1 s VAL 218 N -2.57 0.03 -0.12 2.63 0.11 -1.26 -5.12 120.40 114.10 2wh1 s VAL 218 Ca 0.51 -1.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2wh1 s VAL 218 Cb -0.05 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2wh1 s VAL 218 CO 0.31 -0.87 -0.13 -0.70 -3.33 0.00 0.00 175.10 170.38 2wh1 s GLU 219 N 1.48 3.28 -0.42 1.54 2.12 -1.26 -5.04 118.70 120.40 2wh1 s GLU 219 Ca 0.15 -0.68 0.09 0.00 0.36 0.00 0.00 54.97 54.89 2wh1 s GLU 219 Cb -0.20 -2.61 0.31 0.00 0.26 0.00 0.00 34.13 31.88 2wh1 s GLU 219 CO -0.13 0.28 0.82 0.28 -0.54 0.00 0.00 175.26 175.96 2wh1 n VAL 220 N 3.34 -0.21 -3.72 3.70 0.31 -1.26 -5.12 118.33 115.38 2wh1 n VAL 220 Ca -0.18 -3.18 -0.35 0.00 -0.01 0.00 0.00 64.34 60.62 2wh1 n VAL 220 Cb 0.53 0.13 -0.05 0.00 -0.91 0.00 0.00 33.84 33.53 2wh1 n VAL 220 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wh1 s VAL 221 N -0.98 5.26 -0.20 2.52 1.01 -1.26 -5.08 120.40 121.67 2wh1 s VAL 221 Ca 0.33 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.60 2wh1 s VAL 221 Cb 0.28 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 33.12 2wh1 s VAL 221 CO -0.10 0.39 -0.15 -0.76 0.00 0.00 0.00 175.10 174.48 2wh1 s LEU 222 N -1.66 2.49 0.77 3.92 2.01 -1.26 -5.11 118.68 119.85 2wh1 s LEU 222 Ca 0.27 -0.89 -0.15 0.00 0.01 0.00 0.00 54.13 53.37 2wh1 s LEU 222 Cb -0.14 -1.43 0.01 0.00 0.01 0.00 0.00 46.19 44.64 2wh1 s LEU 222 CO 0.15 -0.08 0.76 0.29 1.01 0.00 0.00 176.35 178.47 2wh1 n LYS 223 N 4.59 0.25 0.01 1.70 4.76 -1.26 -4.90 118.16 123.32 2wh1 n LYS 223 Ca -0.18 0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.29 2wh1 n LYS 223 Cb 0.47 -2.05 -0.07 0.00 -1.84 0.00 0.00 35.03 31.54 2wh1 n LYS 223 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2wh1 h PRO 224 N -0.60 0.06 0.00 1.97 0.11 -1.99 -2.32 132.00 129.23 2wh1 h PRO 224 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wh1 h PRO 224 Cb 1.33 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2wh1 h PRO 224 CO 0.43 0.16 0.00 -0.85 -0.21 0.00 0.00 178.00 177.53 2wh1 n GLU 225 N -5.00 0.12 0.19 1.05 0.00 -1.26 -0.54 120.64 115.21 2wh1 n GLU 225 Ca -0.07 0.60 0.14 0.00 0.00 0.00 0.00 57.16 57.84 2wh1 n GLU 225 Cb 0.08 -1.89 0.62 0.00 0.00 0.00 0.00 31.44 30.26 2wh1 n GLU 225 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2wh1 h GLU 226 N 0.00 0.00 0.00 3.44 4.39 -1.76 -3.46 114.58 117.20 2wh1 h GLU 226 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wh1 h GLU 226 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2wh1 h GLU 226 CO 0.00 0.00 0.00 1.47 -1.16 0.00 0.00 179.01 179.32 2wh1 n LEU 227 N -2.54 0.00 -3.67 1.33 -0.00 0.30 -2.64 117.00 109.78 2wh1 n LEU 227 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.89 2wh1 n LEU 227 Cb 0.21 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.54 2wh1 n LEU 227 CO 0.20 0.00 0.29 -0.60 -0.00 0.00 0.00 177.39 177.28 2wh1 s ARG 228 N -0.03 0.69 -0.17 1.47 3.52 0.57 -4.80 118.95 120.20 2wh1 s ARG 228 Ca 0.00 0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 56.47 2wh1 s ARG 228 Cb 0.00 0.31 0.04 0.00 -1.56 0.00 0.00 34.95 33.74 2wh1 s ARG 228 CO 0.00 -0.09 -0.04 0.42 -0.81 0.00 0.00 175.30 174.77 2wh1 s ILE 229 N 0.50 1.08 0.44 4.11 1.01 -1.26 -0.19 121.20 126.89 2wh1 s ILE 229 Ca -0.01 -0.65 0.08 0.00 0.00 0.00 0.00 60.65 60.06 2wh1 s ILE 229 Cb -0.05 -1.28 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2wh1 s ILE 229 CO -0.02 0.09 0.60 -1.81 0.00 0.00 0.00 174.94 173.80 2wh1 s ASP 230 N 1.64 5.60 -0.20 3.58 1.01 -0.80 -4.95 116.67 122.55 2wh1 s ASP 230 Ca 0.00 -0.43 -0.11 0.00 0.71 0.00 0.00 52.55 52.72 2wh1 s ASP 230 Cb -0.16 -0.61 0.07 0.00 1.01 0.00 0.00 42.92 43.23 2wh1 s ASP 230 CO -0.08 -0.82 0.49 0.68 0.21 0.00 0.00 175.17 175.66 2wh1 s VAL 231 N -2.39 -0.03 0.23 -1.27 -7.23 -1.26 -2.41 120.40 106.04 2wh1 s VAL 231 Ca 0.56 0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.75 2wh1 s VAL 231 Cb -0.10 -0.73 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 2wh1 s VAL 231 CO 0.34 0.03 0.25 0.00 -0.31 0.00 0.00 175.10 175.41 2wh1 s MET 232 N 1.49 1.36 -0.00 4.82 0.23 0.46 -5.00 119.30 122.65 2wh1 s MET 232 Ca -0.10 -1.55 -0.30 0.00 -1.03 0.00 0.00 55.69 52.71 2wh1 s MET 232 Cb -0.07 0.34 -0.06 0.00 -1.53 0.00 0.00 34.83 33.51 2wh1 s MET 232 CO -0.15 -0.50 1.45 1.03 -2.03 0.00 0.00 175.02 174.82 2wh1 s ARG 233 N -4.02 4.26 0.83 3.16 0.52 -1.26 -1.61 118.95 120.83 2wh1 s ARG 233 Ca 0.34 2.02 -0.12 0.00 -0.52 0.00 0.00 55.73 57.44 2wh1 s ARG 233 Cb 0.04 -3.62 0.10 0.00 0.52 0.00 0.00 34.95 31.99 2wh1 s ARG 233 CO 0.13 -0.62 1.19 0.00 0.02 0.00 0.00 175.30 176.02 2wh1 s ALA 234 N 2.61 1.74 -0.23 2.13 0.00 -1.26 -4.83 121.76 121.93 2wh1 s ALA 234 Ca 0.65 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 2wh1 s ALA 234 Cb -0.32 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2wh1 s ALA 234 CO 0.27 -2.42 0.10 0.45 0.00 0.00 0.00 175.76 174.16 2wh1 s SER 235 N -2.26 5.62 0.00 0.00 0.15 -1.26 -4.85 113.70 111.10 2wh1 s SER 235 Ca 0.72 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2wh1 s SER 235 Cb -0.27 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2wh1 s SER 235 CO 0.52 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.62 2wh1 n GLY 236 N 4.41 0.60 3.78 9.45 0.00 -1.26 -5.11 105.19 117.06 2wh1 n GLY 236 Ca -0.16 -1.69 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2wh1 n GLY 236 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wh1 s PRO 237 N -2.00 3.15 0.00 1.61 0.02 -1.26 -4.80 135.00 131.72 2wh1 s PRO 237 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.41 2wh1 s PRO 237 Cb 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2wh1 s PRO 237 CO 0.00 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 2wh1 n GLY 238 N -0.46 -0.48 7.00 0.52 0.00 -1.26 -4.64 105.19 105.87 2wh1 n GLY 238 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2wh1 n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh1 n GLY 239 N 0.00 1.72 0.40 -0.02 0.00 -1.26 -1.26 105.19 104.77 2wh1 n GLY 239 Ca 0.00 -0.39 0.22 0.00 0.00 0.00 0.00 46.02 45.85 2wh1 n GLY 239 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2wh1 h GLN 240 N 0.00 0.41 0.00 1.61 7.50 -1.99 -2.84 115.11 119.79 2wh1 h GLN 240 Ca 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.13 2wh1 h GLN 240 Cb 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.44 2wh1 h GLN 240 CO 0.00 0.27 0.00 0.41 -1.50 0.00 0.00 178.83 178.01 2wh1 n GLY 241 N -1.44 -2.99 0.52 3.46 0.00 -0.38 -1.30 105.19 103.06 2wh1 n GLY 241 Ca 0.26 0.20 0.42 0.00 0.00 0.00 0.00 46.02 46.89 2wh1 n GLY 241 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wh1 n VAL 242 N -0.56 -0.13 -0.01 1.61 3.14 -1.12 0.22 118.33 121.48 2wh1 n VAL 242 Ca 0.00 1.52 -0.12 0.00 -2.96 0.00 0.00 64.34 62.79 2wh1 n VAL 242 Cb 0.00 -2.51 0.01 0.00 -1.06 0.00 0.00 33.84 30.28 2wh1 n VAL 242 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 2wh1 h ASN 243 N 0.00 0.72 -0.19 6.55 -0.26 -1.23 -3.37 115.58 117.80 2wh1 h ASN 243 Ca 0.83 -0.41 -0.07 0.00 -0.56 0.00 0.00 56.30 56.08 2wh1 h ASN 243 Cb 2.94 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 39.95 2wh1 h ASN 243 CO -0.25 1.16 -0.13 0.35 -1.06 0.00 0.00 177.43 177.50 2wh1 n THR 244 N -3.94 2.30 -4.18 2.81 -2.24 0.13 -5.01 114.28 104.15 2wh1 n THR 244 Ca -0.04 -2.56 -0.16 0.00 -2.27 0.00 0.00 64.05 59.01 2wh1 n THR 244 Cb 0.65 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.48 2wh1 n THR 244 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wh1 s THR 245 N -3.08 0.68 -1.07 4.28 -4.23 -1.12 -5.05 115.64 106.04 2wh1 s THR 245 Ca 0.40 -0.81 -0.04 0.00 -1.18 0.00 0.00 61.69 60.06 2wh1 s THR 245 Cb 0.36 -0.66 0.15 0.00 1.34 0.00 0.00 72.50 73.69 2wh1 s THR 245 CO 0.01 -0.12 2.38 0.47 -0.54 0.00 0.00 174.62 176.81 2wh1 n ASP 246 N 2.01 7.59 0.15 3.99 10.43 -1.26 -4.03 116.55 135.43 2wh1 n ASP 246 Ca -0.19 -3.27 0.02 0.00 2.57 0.00 0.00 54.79 53.93 2wh1 n ASP 246 Cb 0.56 -1.29 0.20 0.00 1.84 0.00 0.00 41.12 42.42 2wh1 n ASP 246 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 2wh1 h SER 247 N 4.12 0.00 -3.22 -2.24 4.64 -1.84 -3.40 113.55 111.61 2wh1 h SER 247 Ca 0.61 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.35 2wh1 h SER 247 Cb 0.38 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 2wh1 h SER 247 CO 1.30 0.53 0.83 0.00 -0.87 0.00 0.00 176.83 178.62 2wh1 s ALA 248 N -3.42 3.57 0.54 5.18 0.00 -0.63 -3.70 121.76 123.29 2wh1 s ALA 248 Ca 0.00 0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.09 2wh1 s ALA 248 Cb 0.11 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.67 2wh1 s ALA 248 CO 0.73 -1.32 0.74 0.54 0.00 0.00 0.00 175.76 176.44 2wh1 s VAL 249 N 3.49 2.39 -0.30 0.00 0.11 -0.98 -0.40 120.40 124.70 2wh1 s VAL 249 Ca 0.45 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.49 2wh1 s VAL 249 Cb -0.13 -2.41 0.19 0.00 -1.53 0.00 0.00 36.38 32.50 2wh1 s VAL 249 CO 0.12 0.00 0.76 -0.60 -3.33 0.00 0.00 175.10 172.05 2wh1 s ARG 250 N -4.59 0.41 -0.05 1.54 3.52 -1.01 -3.13 118.95 115.64 2wh1 s ARG 250 Ca 0.60 0.52 -0.17 0.00 -0.13 0.00 0.00 55.73 56.55 2wh1 s ARG 250 Cb -0.07 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.53 2wh1 s ARG 250 CO 0.37 -0.66 0.46 0.08 -0.81 0.00 0.00 175.30 174.74 2wh1 s VAL 251 N 2.88 5.07 -0.06 7.11 1.01 -0.14 -1.90 120.40 134.38 2wh1 s VAL 251 Ca 0.15 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2wh1 s VAL 251 Cb -0.09 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2wh1 s VAL 251 CO -0.22 0.45 -0.05 -0.69 0.00 0.00 0.00 175.10 174.59 2wh1 s VAL 252 N -0.24 0.66 -0.58 2.92 1.01 0.73 -0.22 120.40 124.69 2wh1 s VAL 252 Ca 0.25 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 2wh1 s VAL 252 Cb -0.16 -0.70 0.10 0.00 0.00 0.00 0.00 36.38 35.62 2wh1 s VAL 252 CO 0.12 0.27 0.69 -2.28 0.00 0.00 0.00 175.10 173.90 2wh1 s HIS 253 N 1.26 3.01 0.19 5.22 2.46 -0.09 -0.31 115.29 127.04 2wh1 s HIS 253 Ca -0.05 -0.94 -0.19 0.00 0.47 0.00 0.00 55.06 54.35 2wh1 s HIS 253 Cb -0.14 -3.96 0.15 0.00 -0.13 0.00 0.00 32.58 28.51 2wh1 s HIS 253 CO -0.02 -1.26 1.60 -0.07 -2.47 0.00 0.00 174.74 172.52 2wh1 h LEU 254 N 9.89 -0.98 0.49 8.88 3.38 -1.79 0.84 115.31 136.02 2wh1 h LEU 254 Ca -0.29 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2wh1 h LEU 254 Cb 1.09 0.52 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 2wh1 h LEU 254 CO 1.09 -0.28 -0.48 -0.65 0.09 0.00 0.00 178.44 178.21 2wh1 h PRO 255 N -0.13 -0.94 0.00 1.13 0.11 -1.93 -2.94 132.00 127.30 2wh1 h PRO 255 Ca 0.25 0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.32 2wh1 h PRO 255 Cb 0.53 0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 2wh1 h PRO 255 CO -0.66 -0.62 -0.50 1.79 -0.21 0.00 0.00 178.00 177.79 2wh1 h THR 256 N -0.97 1.12 0.00 -1.15 1.35 -1.90 -3.46 112.91 107.90 2wh1 h THR 256 Ca -0.06 -1.88 0.00 0.00 -0.55 0.00 0.00 66.41 63.92 2wh1 h THR 256 Cb 0.85 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2wh1 h THR 256 CO -0.06 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 2wh1 n GLY 257 N 0.36 2.34 3.75 5.82 0.00 0.29 -5.01 105.19 112.74 2wh1 n GLY 257 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2wh1 n GLY 257 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wh1 s ILE 258 N -2.30 2.26 0.13 -0.61 -5.25 -1.21 -4.69 121.20 109.53 2wh1 s ILE 258 Ca 0.00 0.22 0.07 0.00 -0.99 0.00 0.00 60.65 59.95 2wh1 s ILE 258 Cb 0.00 -3.14 -0.04 0.00 2.95 0.00 0.00 42.46 42.23 2wh1 s ILE 258 CO 0.00 0.03 -0.15 0.42 -1.79 0.00 0.00 174.94 173.45 2wh1 s THR 259 N 0.04 1.45 -0.01 8.37 -4.23 -1.26 -0.91 115.64 119.09 2wh1 s THR 259 Ca 0.62 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 2wh1 s THR 259 Cb -0.46 -1.59 0.00 0.00 1.34 0.00 0.00 72.50 71.79 2wh1 s THR 259 CO 0.46 -0.37 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.44 2wh1 s VAL 260 N -2.05 0.33 0.20 2.29 1.01 0.69 -5.00 120.40 117.88 2wh1 s VAL 260 Ca 0.10 -0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.03 2wh1 s VAL 260 Cb -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.98 2wh1 s VAL 260 CO 0.04 0.11 -0.21 0.42 0.00 0.00 0.00 175.10 175.46 2wh1 s THR 261 N 0.05 2.15 -0.29 3.92 -4.23 -1.26 -0.96 115.64 115.02 2wh1 s THR 261 Ca -0.00 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.32 2wh1 s THR 261 Cb -0.03 -2.05 0.12 0.00 1.34 0.00 0.00 72.50 71.87 2wh1 s THR 261 CO -0.00 -0.26 0.66 0.00 -0.54 0.00 0.00 174.62 174.47 2wh1 n GLN 263 N 5.16 0.93 -0.02 0.00 6.02 -1.26 -2.33 117.38 125.88 2wh1 n GLN 263 Ca -0.14 -2.30 -0.01 0.00 -0.01 0.00 0.00 57.00 54.55 2wh1 n GLN 263 Cb 0.52 -1.16 -0.01 0.00 1.02 0.00 0.00 30.24 30.61 2wh1 n GLN 263 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2wh1 h THR 264 N 2.41 0.00 -1.38 5.09 2.02 -1.93 -3.43 112.91 115.68 2wh1 h THR 264 Ca -0.02 0.00 -0.44 0.00 0.77 0.00 0.00 66.41 66.72 2wh1 h THR 264 Cb 1.17 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2wh1 h THR 264 CO 0.01 0.00 -0.27 0.42 0.37 0.00 0.00 175.52 176.05 2wh1 s THR 265 N -3.13 2.84 -2.00 3.16 -4.23 -1.26 -5.02 115.64 106.01 2wh1 s THR 265 Ca -0.01 -1.07 0.13 0.00 -1.18 0.00 0.00 61.69 59.57 2wh1 s THR 265 Cb 0.01 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.30 2wh1 s THR 265 CO 0.03 0.00 1.46 0.54 -0.54 0.00 0.00 174.62 176.11 2wh1 n ARG 266 N -1.83 0.96 -3.65 3.99 1.74 -1.26 -4.75 116.66 111.85 2wh1 n ARG 266 Ca 0.08 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.77 2wh1 n ARG 266 Cb 0.60 -1.21 -0.12 0.00 -1.02 0.00 0.00 32.46 30.71 2wh1 n ARG 266 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wh1 s SER 267 N -1.45 5.55 0.30 0.55 1.04 -1.26 -4.71 113.70 113.72 2wh1 s SER 267 Ca 0.19 -0.63 0.06 0.00 0.48 0.00 0.00 55.95 56.05 2wh1 s SER 267 Cb 0.09 -1.99 0.81 0.00 0.10 0.00 0.00 66.02 65.03 2wh1 s SER 267 CO 0.15 -0.23 1.66 -0.61 0.98 0.00 0.00 173.24 175.19 2wh1 h GLN 268 N 8.36 0.25 0.51 4.02 4.15 -1.77 -0.10 115.11 130.52 2wh1 h GLN 268 Ca -0.31 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.07 2wh1 h GLN 268 Cb 1.14 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2wh1 h GLN 268 CO 0.62 0.17 -0.24 0.82 -1.93 0.00 0.00 178.83 178.27 2wh1 h ILE 269 N 0.26 0.00 -0.00 2.39 2.04 -1.91 -1.31 117.51 118.97 2wh1 h ILE 269 Ca 0.60 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.45 2wh1 h ILE 269 Cb 1.25 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2wh1 h ILE 269 CO -0.63 0.00 0.07 0.11 0.00 0.00 0.00 178.15 177.69 2wh1 h LYS 270 N -0.69 0.00 0.00 2.37 1.57 -1.85 -0.03 116.57 117.94 2wh1 h LYS 270 Ca -0.07 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 2wh1 h LYS 270 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2wh1 h LYS 270 CO 0.11 0.00 -0.87 -0.91 -0.57 0.00 0.00 179.45 177.21 2wh1 h ASN 271 N 0.00 0.00 -0.23 0.86 2.35 -0.74 -1.68 115.58 116.14 2wh1 h ASN 271 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2wh1 h ASN 271 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2wh1 h ASN 271 CO -0.00 0.86 -0.03 0.11 -1.65 0.00 0.00 177.43 176.72 2wh1 h LYS 272 N 0.00 0.42 0.11 0.81 1.57 0.16 -1.22 116.57 118.42 2wh1 h LYS 272 Ca -0.01 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2wh1 h LYS 272 Cb 1.67 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.92 2wh1 h LYS 272 CO 0.11 0.63 -0.32 1.49 -0.57 0.00 0.00 179.45 180.79 2wh1 h GLU 273 N 0.16 -0.46 -0.94 3.15 4.81 -1.31 0.13 114.58 120.12 2wh1 h GLU 273 Ca 0.06 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.46 2wh1 h GLU 273 Cb 0.46 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.86 2wh1 h GLU 273 CO 0.02 -0.31 0.60 -0.07 -0.73 0.00 0.00 179.01 178.52 2wh1 h LEU 274 N -0.48 0.77 0.13 1.64 4.07 -1.36 -0.72 115.31 119.36 2wh1 h LEU 274 Ca -0.01 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.99 2wh1 h LEU 274 Cb 0.47 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 2wh1 h LEU 274 CO -0.15 0.39 -0.13 0.00 -1.08 0.00 0.00 178.44 177.47 2wh1 h ALA 275 N 1.58 -0.85 -0.93 1.53 0.00 -0.02 -2.06 119.26 118.50 2wh1 h ALA 275 Ca 0.47 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.46 2wh1 h ALA 275 Cb 0.63 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2wh1 h ALA 275 CO -0.24 -0.86 0.56 -0.07 0.00 0.00 0.00 179.25 178.64 2wh1 h LEU 276 N -0.26 0.78 -0.92 0.00 3.38 -0.54 0.06 115.31 117.80 2wh1 h LEU 276 Ca -0.02 0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.24 2wh1 h LEU 276 Cb 0.23 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 40.77 2wh1 h LEU 276 CO -0.02 0.39 0.45 0.50 0.09 0.00 0.00 178.44 179.85 2wh1 h LYS 277 N 0.85 0.44 0.06 1.13 3.64 -0.86 0.53 116.57 122.36 2wh1 h LYS 277 Ca 0.48 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.83 2wh1 h LYS 277 Cb 0.55 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2wh1 h LYS 277 CO -0.30 0.29 -0.03 0.82 -2.27 0.00 0.00 179.45 177.97 2wh1 h ILE 278 N 0.45 1.14 -0.72 2.00 5.03 -0.35 -3.07 117.51 122.00 2wh1 h ILE 278 Ca 0.58 -1.57 0.12 0.00 -0.12 0.00 0.00 64.86 63.87 2wh1 h ILE 278 Cb 1.10 2.05 -0.13 0.00 -3.03 0.00 0.00 36.82 36.80 2wh1 h ILE 278 CO -0.51 0.34 -0.33 0.25 -0.68 0.00 0.00 178.15 177.22 2wh1 h LEU 279 N -0.89 -1.17 0.47 1.44 6.46 0.22 0.74 115.31 122.58 2wh1 h LEU 279 Ca -0.01 0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 2wh1 h LEU 279 Cb 0.62 0.61 -0.02 0.00 -0.73 0.00 0.00 40.66 41.14 2wh1 h LEU 279 CO 0.01 -0.29 -0.51 0.11 -0.62 0.00 0.00 178.44 177.14 2wh1 h LYS 280 N -0.10 -0.95 -0.96 1.25 1.57 -0.11 -1.02 116.57 116.25 2wh1 h LYS 280 Ca 0.28 0.06 0.15 0.00 -1.87 0.00 0.00 60.65 59.28 2wh1 h LYS 280 Cb 0.57 0.22 -0.16 0.00 0.08 0.00 0.00 32.23 32.93 2wh1 h LYS 280 CO -0.78 -0.63 -0.38 0.00 -0.57 0.00 0.00 179.45 177.09 2wh1 h ALA 281 N -0.88 0.16 0.00 3.86 0.00 -1.10 0.78 119.26 122.08 2wh1 h ALA 281 Ca -0.06 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wh1 h ALA 281 Cb 0.86 0.99 0.00 0.00 0.00 0.00 0.00 17.79 19.64 2wh1 h ALA 281 CO -0.08 -0.62 0.00 0.54 0.00 0.00 0.00 179.25 179.09 2wh1 n ARG 282 N -5.47 0.39 -0.07 0.00 1.74 0.13 -2.54 116.66 110.83 2wh1 n ARG 282 Ca 0.10 0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 57.15 2wh1 n ARG 282 Cb 0.40 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.19 2wh1 n ARG 282 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wh1 n LEU 283 N -1.20 0.40 0.13 0.55 7.99 0.26 -3.79 117.00 121.35 2wh1 n LEU 283 Ca 0.11 0.15 -0.01 0.00 -0.01 0.00 0.00 56.01 56.25 2wh1 n LEU 283 Cb 0.13 0.34 0.12 0.00 -0.11 0.00 0.00 43.42 43.90 2wh1 n LEU 283 CO 0.14 0.47 0.44 0.22 -1.51 0.00 0.00 177.39 177.15 2wh1 h TYR 284 N 0.00 0.00 0.00 -1.77 3.20 -0.89 -0.83 116.97 116.69 2wh1 h TYR 284 Ca -0.46 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.35 2wh1 h TYR 284 Cb 2.16 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.42 2wh1 h TYR 284 CO 0.00 0.66 -0.31 1.49 -1.64 0.00 0.00 178.16 178.37 2wh1 h GLU 285 N 0.00 0.00 0.00 1.82 4.57 -1.66 1.44 114.58 120.75 2wh1 h GLU 285 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2wh1 h GLU 285 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2wh1 h GLU 285 CO 0.09 0.31 -0.89 -0.11 -1.18 0.00 0.00 179.01 177.22 2wh1 n LEU 286 N -3.88 0.63 0.01 1.64 0.00 -1.12 -2.21 117.00 112.08 2wh1 n LEU 286 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.89 2wh1 n LEU 286 Cb 0.38 -0.13 -0.14 0.00 0.00 0.00 0.00 43.42 43.54 2wh1 n LEU 286 CO 0.36 0.05 -0.37 -0.08 0.00 0.00 0.00 177.39 177.35 2wh1 h GLU 287 N 0.00 0.06 0.00 1.96 4.22 0.50 -3.12 114.58 118.20 2wh1 h GLU 287 Ca 0.00 -0.11 -0.12 0.00 0.08 0.00 0.00 59.36 59.22 2wh1 h GLU 287 Cb 0.69 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2wh1 h GLU 287 CO 0.00 0.76 -1.31 -2.13 -2.18 0.00 0.00 179.01 174.16 2wh1 n ARG 288 N -3.21 0.62 0.04 1.92 0.63 0.47 -1.37 116.66 115.76 2wh1 n ARG 288 Ca -0.14 0.19 -0.05 0.00 -0.92 0.00 0.00 57.85 56.92 2wh1 n ARG 288 Cb 1.03 -1.81 0.14 0.00 0.45 0.00 0.00 32.46 32.27 2wh1 n ARG 288 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2wh1 h LYS 289 N 0.00 0.41 0.00 -0.14 1.63 -1.56 -2.54 116.57 114.37 2wh1 h LYS 289 Ca -0.11 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 2wh1 h LYS 289 Cb 1.40 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.04 2wh1 h LYS 289 CO 0.03 0.78 -1.20 1.63 -3.45 0.00 0.00 179.45 177.24 2wh1 n LYS 290 N -4.00 0.37 0.03 1.90 5.02 -1.18 -3.09 118.16 117.21 2wh1 n LYS 290 Ca -0.02 -0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.37 2wh1 n LYS 290 Cb 0.52 -1.60 0.50 0.00 -0.02 0.00 0.00 35.03 34.44 2wh1 n LYS 290 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wh1 n ARG 291 N -2.05 0.06 0.00 1.97 0.00 -0.47 -3.43 116.66 112.73 2wh1 n ARG 291 Ca 0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 2wh1 n ARG 291 Cb 0.46 -1.58 0.00 0.00 0.00 0.00 0.00 32.46 31.34 2wh1 n ARG 291 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wh1 n GLU 292 N -1.70 0.16 0.00 -0.14 1.02 -0.98 -4.08 120.64 114.93 2wh1 n GLU 292 Ca 0.06 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 2wh1 n GLU 292 Cb 0.31 -0.99 0.58 0.00 -0.02 0.00 0.00 31.44 31.32 2wh1 n GLU 292 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wh1 n GLU 293 N -1.47 0.24 -0.08 3.49 1.02 -1.18 -1.11 120.64 121.56 2wh1 n GLU 293 Ca 0.00 0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 2wh1 n GLU 293 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.90 2wh1 n GLU 293 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2wh1 n GLU 294 N -1.35 0.46 0.16 3.49 1.02 -1.22 -4.02 120.64 119.17 2wh1 n GLU 294 Ca 0.10 0.33 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 2wh1 n GLU 294 Cb 0.22 -1.47 0.56 0.00 -0.02 0.00 0.00 31.44 30.73 2wh1 n GLU 294 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2wh1 h LEU 295 N -0.92 0.00 0.00 -4.62 3.38 -1.70 -2.23 115.31 109.22 2wh1 h LEU 295 Ca 0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2wh1 h LEU 295 Cb 0.73 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2wh1 h LEU 295 CO 0.00 0.00 -1.27 0.50 0.09 0.00 0.00 178.44 177.76 2wh1 h LYS 296 N 0.00 0.00 0.00 1.13 3.64 -1.34 -3.04 116.57 116.97 2wh1 h LYS 296 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wh1 h LYS 296 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2wh1 h LYS 296 CO 0.00 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 2wh1 n ALA 297 N -2.40 2.42 -0.11 5.00 0.00 -0.84 -1.74 120.51 122.85 2wh1 n ALA 297 Ca -0.08 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.40 2wh1 n ALA 297 Cb 0.89 -1.15 0.23 0.00 0.00 0.00 0.00 19.45 19.42 2wh1 n ALA 297 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wh1 n LEU 298 N -0.66 3.39 -0.07 0.00 4.77 -1.15 -4.15 117.00 119.13 2wh1 n LEU 298 Ca 0.07 -1.83 -0.12 0.00 -0.03 0.00 0.00 56.01 54.10 2wh1 n LEU 298 Cb 0.03 -0.32 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 2wh1 n LEU 298 CO 0.05 0.81 -0.93 0.54 -1.33 0.00 0.00 177.39 176.53 2wh1 n ARG 299 N 1.18 0.67 0.00 3.23 1.74 -0.71 -4.84 116.66 117.93 2wh1 n ARG 299 Ca 0.18 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 2wh1 n ARG 299 Cb 0.53 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 2wh1 n ARG 299 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wh1 n GLY 300 N 1.78 0.91 0.00 -0.13 0.00 -1.26 -4.87 105.19 101.62 2wh1 n GLY 300 Ca -0.29 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2wh1 n GLY 300 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wh1 n GLU 301 N 0.00 0.00 0.00 1.61 -0.58 -1.26 -4.78 120.64 115.62 2wh1 n GLU 301 Ca 0.00 -0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.37 2wh1 n GLU 301 Cb 0.00 -0.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.40 2wh1 n GLU 301 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 2wh1 n VAL 302 N 0.00 0.00 -2.93 2.62 0.24 -1.26 -5.05 118.33 111.95 2wh1 n VAL 302 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.25 2wh1 n VAL 302 Cb 0.45 -0.02 0.01 0.00 -1.47 0.00 0.00 33.84 32.81 2wh1 n VAL 302 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2wh1 n GLU 303 N 0.00 -1.97 0.00 7.34 0.28 -1.26 -4.94 120.64 120.10 2wh1 n GLU 303 Ca 0.00 1.88 0.15 0.00 -0.16 0.00 0.00 57.16 59.03 2wh1 n GLU 303 Cb 0.00 -5.71 0.77 0.00 1.43 0.00 0.00 31.44 27.94 2wh1 n GLU 303 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2wh1 n PRO 304 N -0.87 0.58 -0.99 3.44 -0.02 -1.26 -4.89 135.00 130.99 2wh1 n PRO 304 Ca 0.07 -0.04 -0.03 0.00 -2.02 0.00 0.00 63.50 61.48 2wh1 n PRO 304 Cb 0.47 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.44 2wh1 n PRO 304 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 2wh1 n ILE 305 N -1.18 0.00 -1.61 4.25 3.06 -1.26 -4.95 119.36 117.67 2wh1 n ILE 305 Ca 0.16 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.41 2wh1 n ILE 305 Cb 0.22 -1.03 0.00 0.00 0.54 0.00 0.00 39.64 39.37 2wh1 n ILE 305 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2wh1 n GLU 306 N 0.29 2.30 -0.78 9.51 4.07 -1.26 -3.65 120.64 131.11 2wh1 n GLU 306 Ca -0.03 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.77 2wh1 n GLU 306 Cb 0.46 0.00 0.26 0.00 -0.06 0.00 0.00 31.44 32.10 2wh1 n GLU 306 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2wh1 s TRP 307 N 1.38 0.25 -0.05 4.31 0.52 -1.26 -3.74 118.94 120.35 2wh1 s TRP 307 Ca 0.00 0.61 0.00 0.00 0.02 0.00 0.00 56.10 56.73 2wh1 s TRP 307 Cb 0.00 -3.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 2wh1 s TRP 307 CO 0.00 -4.24 0.00 0.41 0.02 0.00 0.00 176.95 173.14 2wh1 n GLY 308 N 0.04 -0.41 0.00 0.98 0.00 -1.26 -4.66 105.19 99.88 2wh1 n GLY 308 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2wh1 n GLY 308 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wh1 n SER 309 N -1.11 1.58 -4.38 1.61 3.41 -1.25 -5.06 113.62 108.44 2wh1 n SER 309 Ca -0.01 -0.37 -0.34 0.00 -0.26 0.00 0.00 58.87 57.89 2wh1 n SER 309 Cb 0.42 1.05 0.09 0.00 -0.26 0.00 0.00 64.21 65.51 2wh1 n SER 309 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wh1 n GLN 310 N -1.25 -0.07 -0.24 4.33 3.00 -1.26 -4.54 117.38 117.35 2wh1 n GLN 310 Ca 0.00 0.02 0.04 0.00 -0.01 0.00 0.00 57.00 57.05 2wh1 n GLN 310 Cb 0.05 -1.73 0.05 0.00 0.00 0.00 0.00 30.24 28.62 2wh1 n GLN 310 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2wh1 n ILE 311 N -3.05 0.78 0.00 5.09 -5.35 -0.59 -4.89 119.36 111.34 2wh1 n ILE 311 Ca 0.07 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 2wh1 n ILE 311 Cb 0.53 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 2wh1 n ILE 311 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2wh1 n ARG 312 N -0.57 0.00 -3.01 6.28 0.63 -1.26 -3.12 116.66 115.61 2wh1 n ARG 312 Ca 0.06 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.77 2wh1 n ARG 312 Cb 0.61 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.54 2wh1 n ARG 312 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2wh1 s SER 313 N 0.00 5.78 -0.05 6.15 0.01 0.11 -3.31 113.70 122.39 2wh1 s SER 313 Ca 0.00 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2wh1 s SER 313 Cb 0.00 -1.40 0.02 0.00 0.21 0.00 0.00 66.02 64.86 2wh1 s SER 313 CO 0.00 -0.72 -0.05 -0.31 0.41 0.00 0.00 173.24 172.57 2wh1 s TYR 314 N -2.53 0.85 0.19 2.43 1.51 -0.40 -2.32 117.35 117.09 2wh1 s TYR 314 Ca 0.49 -0.26 0.10 0.00 -1.01 0.00 0.00 57.07 56.39 2wh1 s TYR 314 Cb -0.10 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 2wh1 s TYR 314 CO 0.37 -0.23 -0.21 0.14 -1.11 0.00 0.00 175.55 174.51 2wh1 s VAL 315 N 1.02 2.17 0.00 0.71 -7.23 -0.88 0.24 120.40 116.43 2wh1 s VAL 315 Ca -0.09 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 2wh1 s VAL 315 Cb -0.14 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 34.75 2wh1 s VAL 315 CO -0.00 -0.23 0.00 0.18 -0.31 0.00 0.00 175.10 174.74 2wh1 n LEU 316 N 0.16 0.00 -1.55 1.32 4.77 -0.99 -3.47 117.00 117.24 2wh1 n LEU 316 Ca -0.12 -0.04 0.09 0.00 -0.03 0.00 0.00 56.01 55.91 2wh1 n LEU 316 Cb 0.57 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 42.01 2wh1 n LEU 316 CO 0.30 0.00 0.80 -0.90 -1.33 0.00 0.00 177.39 176.26 2wh1 n ASP 317 N -0.70 4.61 -0.49 -1.43 5.75 -1.26 -3.75 116.55 119.27 2wh1 n ASP 317 Ca 0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.35 2wh1 n ASP 317 Cb 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 2wh1 n ASP 317 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wh1 n LYS 318 N 1.09 0.00 -0.41 0.11 4.76 -1.26 -5.11 118.16 117.34 2wh1 n LYS 318 Ca 0.25 -0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2wh1 n LYS 318 Cb 0.86 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.91 2wh1 n LYS 318 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wh1 n ASN 319 N 0.00 0.00 -3.61 4.39 5.03 -1.25 -4.96 115.26 114.86 2wh1 n ASN 319 Ca 0.00 0.00 -0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wh1 n ASN 319 Cb 0.56 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.32 2wh1 n ASN 319 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2wh1 s TYR 320 N 0.00 0.01 -0.29 3.10 -0.85 -1.23 -4.46 117.35 113.63 2wh1 s TYR 320 Ca 0.00 -0.24 0.02 0.00 -0.52 0.00 0.00 57.07 56.33 2wh1 s TYR 320 Cb 0.00 0.61 0.16 0.00 0.38 0.00 0.00 41.96 43.11 2wh1 s TYR 320 CO 0.00 -0.56 0.40 0.08 -1.52 0.00 0.00 175.55 173.95 2wh1 s VAL 321 N -2.32 -0.62 -0.32 -3.49 1.01 0.48 -2.07 120.40 113.08 2wh1 s VAL 321 Ca 0.21 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.70 2wh1 s VAL 321 Cb -0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2wh1 s VAL 321 CO 0.01 -0.29 0.59 -0.75 0.00 0.00 0.00 175.10 174.66 2wh1 s LYS 322 N 2.53 3.82 -0.51 2.72 2.47 -0.98 -2.06 119.74 127.72 2wh1 s LYS 322 Ca 0.10 0.16 -0.22 0.00 -1.56 0.00 0.00 55.97 54.44 2wh1 s LYS 322 Cb -0.13 -3.75 0.04 0.00 -1.46 0.00 0.00 37.83 32.53 2wh1 s LYS 322 CO -0.30 -0.60 0.80 0.34 0.16 0.00 0.00 175.35 175.76 2wh1 s ASP 323 N 1.69 6.31 0.23 1.43 -1.08 0.23 0.04 116.67 125.52 2wh1 s ASP 323 Ca 0.23 -0.49 -0.05 0.00 -0.52 0.00 0.00 52.55 51.73 2wh1 s ASP 323 Cb -0.15 -2.38 0.23 0.00 -1.46 0.00 0.00 42.92 39.17 2wh1 s ASP 323 CO 0.12 -1.05 1.72 0.45 0.52 0.00 0.00 175.17 176.94 2wh1 h HIS 324 N 9.13 0.98 -0.25 -5.34 3.86 -1.81 0.26 115.15 121.99 2wh1 h HIS 324 Ca -0.26 -0.14 0.06 0.00 -1.16 0.00 0.00 60.37 58.86 2wh1 h HIS 324 Cb 1.08 -0.27 -0.08 0.00 1.06 0.00 0.00 27.41 29.21 2wh1 h HIS 324 CO 0.83 0.88 -0.39 0.00 0.86 0.00 0.00 177.93 180.11 2wh1 h ARG 325 N 0.85 -0.37 0.06 2.45 3.08 -1.90 -3.26 114.38 115.28 2wh1 h ARG 325 Ca 0.16 0.03 -0.37 0.00 0.07 0.00 0.00 59.98 59.87 2wh1 h ARG 325 Cb 0.47 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 2wh1 h ARG 325 CO 0.02 -0.25 -2.20 -2.37 -1.07 0.00 0.00 179.97 174.10 2wh1 n THR 326 N -5.42 1.63 0.00 2.04 5.66 -1.23 -5.00 114.28 111.95 2wh1 n THR 326 Ca -0.02 -0.64 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 2wh1 n THR 326 Cb 0.35 -1.50 0.00 0.00 -1.55 0.00 0.00 70.33 67.62 2wh1 n THR 326 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wh1 n GLY 327 N 2.07 2.06 3.58 1.09 0.00 0.92 -5.10 105.19 109.81 2wh1 n GLY 327 Ca -0.37 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 2wh1 n GLY 327 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2wh1 n LEU 328 N 0.00 2.23 -3.35 0.99 0.00 -1.17 -4.62 117.00 111.08 2wh1 n LEU 328 Ca 0.00 0.96 -0.12 0.00 0.00 0.00 0.00 56.01 56.85 2wh1 n LEU 328 Cb 0.00 -1.31 -0.08 0.00 0.00 0.00 0.00 43.42 42.03 2wh1 n LEU 328 CO 0.00 -1.86 -0.11 -0.32 0.00 0.00 0.00 177.39 175.10 2wh1 s MET 329 N -2.06 0.36 0.72 1.96 1.75 -1.26 0.74 119.30 121.51 2wh1 s MET 329 Ca 0.65 0.11 -0.06 0.00 -1.25 0.00 0.00 55.69 55.14 2wh1 s MET 329 Cb -0.54 -0.49 0.07 0.00 2.84 0.00 0.00 34.83 36.72 2wh1 s MET 329 CO 0.55 -0.95 1.02 1.03 -0.65 0.00 0.00 175.02 176.03 2wh1 s ARG 330 N 2.48 2.06 -0.16 4.11 0.52 -0.87 -4.82 118.95 122.26 2wh1 s ARG 330 Ca 0.10 -0.36 0.17 0.00 -0.52 0.00 0.00 55.73 55.12 2wh1 s ARG 330 Cb -0.14 -2.18 0.35 0.00 0.52 0.00 0.00 34.95 33.51 2wh1 s ARG 330 CO -0.28 -1.31 1.21 0.72 0.02 0.00 0.00 175.30 175.66 2wh1 n HIS 331 N -2.94 0.16 -3.34 -0.53 8.25 -1.26 -0.38 115.22 115.17 2wh1 n HIS 331 Ca 0.09 -1.11 -0.26 0.00 -0.26 0.00 0.00 57.72 56.19 2wh1 n HIS 331 Cb 0.60 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 31.43 2wh1 n HIS 331 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2wh1 n ASP 332 N -1.26 2.27 -0.14 0.41 5.75 -1.26 -4.16 116.55 118.17 2wh1 n ASP 332 Ca 0.18 -3.13 -0.04 0.00 -0.01 0.00 0.00 54.79 51.79 2wh1 n ASP 332 Cb 0.70 -0.66 0.04 0.00 -1.03 0.00 0.00 41.12 40.17 2wh1 n ASP 332 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2wh1 h PRO 333 N 4.17 0.26 -0.93 0.11 0.13 -1.83 -2.02 132.00 131.89 2wh1 h PRO 333 Ca 0.15 -0.02 0.21 0.00 -0.87 0.00 0.00 66.00 65.47 2wh1 h PRO 333 Cb 0.75 -0.06 -0.12 0.00 0.13 0.00 0.00 31.00 31.71 2wh1 h PRO 333 CO 0.68 0.17 0.49 1.05 -0.23 0.00 0.00 178.00 180.16 2wh1 h GLU 334 N 0.26 0.54 -0.07 0.86 9.09 -1.90 0.03 114.58 123.39 2wh1 h GLU 334 Ca 0.21 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 59.55 2wh1 h GLU 334 Cb 0.24 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2wh1 h GLU 334 CO -0.25 0.36 -0.12 -0.91 0.05 0.00 0.00 179.01 178.14 2wh1 h ASN 335 N 0.56 0.23 0.21 3.06 2.35 -1.80 -3.28 115.58 116.91 2wh1 h ASN 335 Ca 0.57 -0.55 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2wh1 h ASN 335 Cb 0.99 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.27 2wh1 h ASN 335 CO -0.46 0.73 -0.44 0.58 -1.65 0.00 0.00 177.43 176.19 2wh1 h VAL 336 N -0.27 0.00 0.00 2.81 2.07 -0.68 -3.01 116.25 117.17 2wh1 h VAL 336 Ca 0.00 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 66.92 2wh1 h VAL 336 Cb 0.69 0.00 0.10 0.00 -1.52 0.00 0.00 31.29 30.56 2wh1 h VAL 336 CO 0.03 0.00 1.81 0.18 0.02 0.00 0.00 177.57 179.61 2wh1 n LEU 337 N -5.02 2.46 0.00 2.57 4.77 -0.09 -1.49 117.00 120.20 2wh1 n LEU 337 Ca -0.08 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.75 2wh1 n LEU 337 Cb 0.37 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2wh1 n LEU 337 CO 0.16 -1.20 0.00 -0.67 -1.33 0.00 0.00 177.39 174.35 2wh1 n ASP 338 N 8.18 0.00 0.00 -1.43 2.03 -1.15 -4.87 116.55 119.32 2wh1 n ASP 338 Ca 0.48 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.79 2wh1 n ASP 338 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 2wh1 n ASP 338 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wh1 n GLY 339 N 0.00 1.86 2.69 0.27 0.00 -0.55 -4.48 105.19 104.97 2wh1 n GLY 339 Ca 0.00 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 2wh1 n GLY 339 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wh1 n ASP 340 N 0.00 0.35 0.00 1.61 9.92 -1.18 -4.47 116.55 122.78 2wh1 n ASP 340 Ca 0.00 0.28 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 2wh1 n ASP 340 Cb 0.00 -0.72 0.00 0.00 -0.64 0.00 0.00 41.12 39.76 2wh1 n ASP 340 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2wh1 n LEU 341 N 7.46 0.00 0.13 0.64 4.77 -1.26 -4.29 117.00 124.45 2wh1 n LEU 341 Ca 0.49 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.48 2wh1 n LEU 341 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2wh1 n LEU 341 CO 0.72 0.00 0.71 0.23 -1.33 0.00 0.00 177.39 177.72 2wh1 n MET 342 N -1.00 0.02 -0.08 3.23 2.81 -1.26 -0.51 117.12 120.33 2wh1 n MET 342 Ca 0.00 0.41 -0.13 0.00 -1.81 0.00 0.00 57.70 56.17 2wh1 n MET 342 Cb 0.00 -2.20 -0.08 0.00 -0.71 0.00 0.00 33.22 30.23 2wh1 n MET 342 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2wh1 h ASP 343 N 0.00 0.00 1.15 7.83 3.45 -1.96 -3.35 116.42 123.54 2wh1 h ASP 343 Ca 0.00 -0.45 0.00 0.00 0.43 0.00 0.00 57.03 57.01 2wh1 h ASP 343 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 2wh1 h ASP 343 CO 0.00 1.06 0.00 0.00 -1.57 0.00 0.00 179.24 178.73 2wh1 n LEU 344 N -4.57 0.39 -0.03 1.55 -0.00 0.33 -3.28 117.00 111.39 2wh1 n LEU 344 Ca -0.16 0.54 -0.15 0.00 -0.00 0.00 0.00 56.01 56.24 2wh1 n LEU 344 Cb 0.44 -0.43 -0.11 0.00 -0.00 0.00 0.00 43.42 43.33 2wh1 n LEU 344 CO 0.18 -0.13 0.43 0.40 -0.00 0.00 0.00 177.39 178.27 2wh1 h ILE 345 N 0.00 1.51 0.52 1.47 2.04 -1.41 0.26 117.51 121.89 2wh1 h ILE 345 Ca 0.00 -1.83 -0.02 0.00 1.00 0.00 0.00 64.86 64.01 2wh1 h ILE 345 Cb 0.58 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.27 2wh1 h ILE 345 CO 0.00 0.50 -0.39 -0.50 0.00 0.00 0.00 178.15 177.76 2wh1 h TRP 346 N -0.43 -1.06 -0.68 1.37 -0.00 -1.69 -1.55 115.95 111.90 2wh1 h TRP 346 Ca -0.02 -0.00 0.15 0.00 -0.00 0.00 0.00 58.89 59.01 2wh1 h TRP 346 Cb 0.95 0.40 -0.11 0.00 -0.00 0.00 0.00 29.16 30.39 2wh1 h TRP 346 CO 0.16 -0.55 0.04 0.00 -0.00 0.00 0.00 178.44 178.09 2wh1 h ALA 347 N -1.22 0.73 -0.77 1.49 0.00 -1.65 0.20 119.26 118.03 2wh1 h ALA 347 Ca -0.07 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.20 2wh1 h ALA 347 Cb 0.72 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.74 2wh1 h ALA 347 CO 0.02 -0.39 0.29 0.78 0.00 0.00 0.00 179.25 179.95 2wh1 h GLY 348 N 0.14 1.18 0.58 0.00 0.00 -0.57 -0.46 103.07 103.94 2wh1 h GLY 348 Ca 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.55 2wh1 h GLY 348 CO -0.57 -0.15 -0.28 1.41 0.00 0.00 0.00 176.54 176.96 2wh1 h LEU 349 N 0.40 -0.65 -0.80 3.11 3.38 0.34 -2.54 115.31 118.54 2wh1 h LEU 349 Ca 0.44 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.62 2wh1 h LEU 349 Cb 0.71 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.48 2wh1 h LEU 349 CO -0.45 -0.39 -0.11 -0.62 0.09 0.00 0.00 178.44 176.96 2wh1 n GLU 350 N -4.50 -0.07 0.28 1.13 1.02 -0.27 0.11 120.64 118.34 2wh1 n GLU 350 Ca -0.10 1.22 -0.17 0.00 -0.02 0.00 0.00 57.16 58.10 2wh1 n GLU 350 Cb 0.30 -1.87 -0.08 0.00 -0.02 0.00 0.00 31.44 29.77 2wh1 n GLU 350 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2wh1 h TRP 351 N 0.00 -0.96 0.00 -0.32 7.01 -1.05 -2.74 115.95 117.89 2wh1 h TRP 351 Ca 0.42 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.42 2wh1 h TRP 351 Cb 0.76 0.36 0.00 0.00 -2.10 0.00 0.00 29.16 28.17 2wh1 h TRP 351 CO -0.52 -0.52 0.00 1.63 -2.79 0.00 0.00 178.44 176.23 2wh1 n LYS 352 N -5.48 0.00 0.26 2.65 5.02 0.29 -2.92 118.16 117.99 2wh1 n LYS 352 Ca -0.11 0.24 0.01 0.00 -2.02 0.00 0.00 58.31 56.43 2wh1 n LYS 352 Cb 0.38 -1.24 0.05 0.00 -0.02 0.00 0.00 35.03 34.20 2wh1 n LYS 352 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wh1 h ALA 353 N -2.00 1.74 -0.92 7.82 0.00 -0.95 -1.39 119.26 123.56 2wh1 h ALA 353 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2wh1 h ALA 353 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2wh1 h ALA 353 CO 0.00 -0.74 0.54 0.78 0.00 0.00 0.00 179.25 179.84 2wh1 h GLY 354 N 0.00 1.48 1.52 0.00 0.00 -1.36 -3.09 103.07 101.63 2wh1 h GLY 354 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 47.33 46.72 2wh1 h GLY 354 CO 0.00 0.11 -1.33 0.07 0.00 0.00 0.00 176.54 175.38 2wh1 h ARG 355 N 0.86 0.04 0.00 4.80 -0.00 -1.44 -3.52 114.38 115.11 2wh1 h ARG 355 Ca 0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 60.37 2wh1 h ARG 355 Cb 0.49 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.49 2wh1 h ARG 355 CO -0.28 0.84 0.00 0.54 -0.00 0.00 0.00 179.97 181.07