#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ww3 s ILE 13 N 0.00 4.94 0.05 1.69 -4.36 -1.26 -5.06 121.20 117.20 1ww3 s ILE 13 Ca 0.00 -1.11 -0.17 0.00 -0.26 0.00 0.00 60.65 59.11 1ww3 s ILE 13 Cb 0.00 -3.66 -0.07 0.00 1.25 0.00 0.00 42.46 39.98 1ww3 s ILE 13 CO 0.00 -0.30 1.28 -1.28 0.24 0.00 0.00 174.94 174.88 1ww3 h SER 14 N 1.44 -0.83 0.00 4.36 0.87 -1.96 -2.82 113.55 114.61 1ww3 h SER 14 Ca -0.50 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.15 1ww3 h SER 14 Cb 1.23 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1ww3 h SER 14 CO 0.62 -0.27 0.15 1.33 -0.53 0.00 0.00 176.83 178.12 1ww3 n VAL 15 N -3.98 1.41 1.43 2.23 0.24 -1.26 -1.88 118.33 116.52 1ww3 n VAL 15 Ca -0.04 0.51 0.09 0.00 -2.04 0.00 0.00 64.34 62.86 1ww3 n VAL 15 Cb 0.20 -1.51 0.39 0.00 -1.47 0.00 0.00 33.84 31.45 1ww3 n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ww3 n ARG 16 N -1.37 1.51 0.00 7.34 1.74 -1.06 -5.04 116.66 119.78 1ww3 n ARG 16 Ca -0.00 -0.77 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 1ww3 n ARG 16 Cb 0.15 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1ww3 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ww3 n GLY 17 N 1.01 -3.01 3.89 -0.13 0.00 -0.79 -1.57 105.19 104.58 1ww3 n GLY 17 Ca 0.15 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1ww3 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ww3 s LEU 18 N 0.00 4.25 -0.68 0.99 1.43 -1.26 -4.65 118.68 118.77 1ww3 s LEU 18 Ca 0.00 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 53.86 1ww3 s LEU 18 Cb 0.00 -3.36 0.29 0.00 0.03 0.00 0.00 46.19 43.15 1ww3 s LEU 18 CO 0.00 0.04 0.95 0.00 0.23 0.00 0.00 176.35 177.57 1ww3 n ALA 19 N 0.16 4.51 -2.07 4.21 0.00 -1.26 -3.76 120.51 122.30 1ww3 n ALA 19 Ca -0.02 -4.75 -0.42 0.00 0.00 0.00 0.00 53.44 48.25 1ww3 n ALA 19 Cb 0.52 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 1ww3 n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1ww3 s GLY 20 N -2.72 2.33 0.00 0.00 0.00 -1.26 -4.84 107.32 100.83 1ww3 s GLY 20 Ca 0.42 1.10 0.00 0.00 0.00 0.00 0.00 44.72 46.24 1ww3 s GLY 20 CO -0.05 2.14 0.32 1.55 0.00 0.00 0.00 173.10 177.05 1ww3 n VAL 21 N 3.03 0.09 -0.12 1.40 3.14 -1.26 -0.56 118.33 124.05 1ww3 n VAL 21 Ca 0.08 0.04 -0.15 0.00 -2.96 0.00 0.00 64.34 61.34 1ww3 n VAL 21 Cb 0.43 -1.04 -0.11 0.00 -1.06 0.00 0.00 33.84 32.05 1ww3 n VAL 21 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1ww3 n GLU 22 N -0.82 0.65 -0.02 1.45 4.07 -1.26 -4.09 120.64 120.62 1ww3 n GLU 22 Ca 0.00 0.12 -0.16 0.00 -0.06 0.00 0.00 57.16 57.06 1ww3 n GLU 22 Cb 0.02 -1.48 -0.09 0.00 -0.06 0.00 0.00 31.44 29.83 1ww3 n GLU 22 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 1ww3 h ASN 23 N 0.00 0.59 -0.61 4.31 4.21 -1.21 -2.59 115.58 120.28 1ww3 h ASN 23 Ca -0.53 -0.66 0.00 0.00 1.21 0.00 0.00 56.30 56.33 1ww3 h ASN 23 Cb 1.87 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 38.86 1ww3 h ASN 23 CO -0.07 1.16 0.39 0.58 -1.29 0.00 0.00 177.43 178.20 1ww3 h VAL 24 N 0.06 1.16 -0.67 2.81 2.07 -1.60 0.88 116.25 120.96 1ww3 h VAL 24 Ca -0.04 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1ww3 h VAL 24 Cb 1.16 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1ww3 h VAL 24 CO 0.10 0.16 0.25 0.74 0.02 0.00 0.00 177.57 178.84 1ww3 h THR 25 N 0.82 1.24 -0.39 2.57 2.02 -1.71 -1.46 112.91 116.02 1ww3 h THR 25 Ca 0.22 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 1ww3 h THR 25 Cb -0.08 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1ww3 h THR 25 CO -0.05 0.31 -0.05 -0.08 0.37 0.00 0.00 175.52 176.03 1ww3 h GLU 26 N 0.96 0.71 -0.36 6.66 4.57 -1.02 -2.25 114.58 123.85 1ww3 h GLU 26 Ca 0.22 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1ww3 h GLU 26 Cb 0.24 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1ww3 h GLU 26 CO -0.01 0.83 0.20 -0.07 -1.18 0.00 0.00 179.01 178.78 1ww3 h LEU 27 N 0.53 0.45 -1.05 1.64 3.38 -0.69 -1.03 115.31 118.54 1ww3 h LEU 27 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ww3 h LEU 27 Cb 0.54 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1ww3 h LEU 27 CO 0.03 0.41 0.58 0.11 0.09 0.00 0.00 178.44 179.66 1ww3 h LYS 28 N 0.46 1.22 -0.42 1.13 1.57 -1.21 0.15 116.57 119.47 1ww3 h LYS 28 Ca 0.13 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1ww3 h LYS 28 Cb 0.06 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1ww3 h LYS 28 CO -0.02 0.83 -0.22 -0.22 -0.57 0.00 0.00 179.45 179.25 1ww3 h LYS 29 N 1.25 0.89 0.00 3.15 3.64 -1.07 -2.32 116.57 122.10 1ww3 h LYS 29 Ca 0.33 -0.40 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 1ww3 h LYS 29 Cb -0.10 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1ww3 h LYS 29 CO -0.07 1.05 -0.58 -0.91 -2.27 0.00 0.00 179.45 176.67 1ww3 h ASN 30 N 0.72 0.00 -0.31 4.20 2.35 -0.80 -2.19 115.58 119.54 1ww3 h ASN 30 Ca 0.09 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1ww3 h ASN 30 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 1ww3 h ASN 30 CO 0.06 0.58 0.09 0.15 -1.65 0.00 0.00 177.43 176.66 1ww3 h PHE 31 N 0.00 0.50 -0.13 1.19 3.57 -0.56 -1.72 116.94 119.78 1ww3 h PHE 31 Ca -0.01 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 1ww3 h PHE 31 Cb 1.11 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1ww3 h PHE 31 CO 0.00 0.51 -0.34 -0.91 -2.23 0.00 0.00 178.31 175.35 1ww3 h ASN 32 N 0.34 0.27 -0.30 0.41 2.35 -1.31 -2.02 115.58 115.32 1ww3 h ASN 32 Ca 0.10 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1ww3 h ASN 32 Cb 0.25 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 1ww3 h ASN 32 CO -0.00 0.60 0.01 -0.09 -1.65 0.00 0.00 177.43 176.29 1ww3 h ARG 33 N 0.23 0.52 -0.49 0.81 2.43 -1.15 -2.31 114.38 114.43 1ww3 h ARG 33 Ca 0.03 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 1ww3 h ARG 33 Cb 0.71 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1ww3 h ARG 33 CO 0.05 0.66 -0.13 0.45 -1.51 0.00 0.00 179.97 179.49 1ww3 h HIS 34 N 0.32 1.03 -0.71 2.20 3.86 -1.18 0.84 115.15 121.51 1ww3 h HIS 34 Ca 0.09 -0.21 0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1ww3 h HIS 34 Cb 0.42 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 1ww3 h HIS 34 CO 0.03 0.99 0.47 1.25 0.86 0.00 0.00 177.93 181.53 1ww3 h LEU 35 N 0.82 0.79 0.00 2.43 5.85 -1.29 0.73 115.31 124.65 1ww3 h LEU 35 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1ww3 h LEU 35 Cb 0.67 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ww3 h LEU 35 CO 0.05 0.57 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.96 1ww3 h HIS 36 N 0.93 0.00 -0.09 1.25 2.76 -1.13 -1.52 115.15 117.36 1ww3 h HIS 36 Ca 0.27 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.22 1ww3 h HIS 36 Cb -0.06 0.00 0.01 0.00 1.55 0.00 0.00 27.41 28.92 1ww3 h HIS 36 CO -0.00 0.00 -0.81 0.74 -1.30 0.00 0.00 177.93 176.56 1ww3 h PHE 37 N -0.48 0.98 0.01 5.26 0.04 -0.91 -1.75 116.94 120.09 1ww3 h PHE 37 Ca 0.00 -0.47 -0.05 0.00 2.80 0.00 0.00 57.97 60.25 1ww3 h PHE 37 Cb 0.01 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.02 1ww3 h PHE 37 CO -0.01 1.30 -0.24 1.15 -0.60 0.00 0.00 178.31 179.91 1ww3 h THR 38 N 0.39 1.65 0.00 -1.55 2.02 -1.07 -3.37 112.91 110.98 1ww3 h THR 38 Ca -0.08 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.77 1ww3 h THR 38 Cb 1.45 3.21 0.00 0.00 -1.74 0.00 0.00 68.15 71.07 1ww3 h THR 38 CO 0.16 0.57 -0.64 -0.07 0.37 0.00 0.00 175.52 175.92 1ww3 h LEU 39 N -0.96 0.00 -2.56 2.58 3.38 -1.07 -3.49 115.31 113.19 1ww3 h LEU 39 Ca -0.06 -0.15 -0.34 0.00 0.09 0.00 0.00 57.88 57.42 1ww3 h LEU 39 Cb 1.08 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.98 1ww3 h LEU 39 CO -0.02 0.08 -0.88 0.52 0.09 0.00 0.00 178.44 178.23 1ww3 n VAL 40 N -2.28 -7.33 -4.21 1.22 0.31 -0.66 -4.99 118.33 100.40 1ww3 n VAL 40 Ca 0.03 -1.07 -0.14 0.00 -0.01 0.00 0.00 64.34 63.15 1ww3 n VAL 40 Cb 0.46 -5.39 -0.09 0.00 -0.91 0.00 0.00 33.84 27.92 1ww3 n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1ww3 s LYS 41 N -5.17 1.42 0.13 5.55 -0.14 -0.59 -5.02 119.74 115.92 1ww3 s LYS 41 Ca 0.38 -1.73 0.00 0.00 -1.36 0.00 0.00 55.97 53.26 1ww3 s LYS 41 Cb -0.08 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.33 1ww3 s LYS 41 CO 0.79 -0.50 0.01 0.16 -0.76 0.00 0.00 175.35 175.05 1ww3 s ASP 42 N -3.22 0.80 0.00 2.83 3.84 -1.26 -3.99 116.67 115.67 1ww3 s ASP 42 Ca 0.38 -1.15 0.00 0.00 -0.00 0.00 0.00 52.55 51.79 1ww3 s ASP 42 Cb 0.05 0.19 0.00 0.00 -1.38 0.00 0.00 42.92 41.78 1ww3 s ASP 42 CO 0.17 -0.62 0.91 0.54 -0.00 0.00 0.00 175.17 176.17 1ww3 n ARG 43 N -0.12 0.00 0.08 2.11 5.12 -1.26 -1.87 116.66 120.71 1ww3 n ARG 43 Ca -0.08 0.41 0.04 0.00 -1.93 0.00 0.00 57.85 56.30 1ww3 n ARG 43 Cb 0.63 -1.58 -0.03 0.00 -1.16 0.00 0.00 32.46 30.32 1ww3 n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 1ww3 h ASN 44 N 0.00 0.00 0.00 0.55 2.35 -2.05 -3.38 115.58 113.05 1ww3 h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ww3 h ASN 44 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1ww3 h ASN 44 CO 0.00 0.37 0.00 1.33 -1.65 0.00 0.00 177.43 177.48 1ww3 n VAL 45 N -2.88 0.07 -2.36 2.81 0.24 -0.78 -5.05 118.33 110.38 1ww3 n VAL 45 Ca -0.05 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.34 61.35 1ww3 n VAL 45 Cb 0.73 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 34.10 1ww3 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ww3 s ALA 46 N -0.07 3.44 0.40 2.33 0.00 -0.85 -4.94 121.76 122.06 1ww3 s ALA 46 Ca 0.00 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.03 1ww3 s ALA 46 Cb 0.00 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1ww3 s ALA 46 CO 0.00 -0.33 0.26 0.95 0.00 0.00 0.00 175.76 176.64 1ww3 s THR 47 N -0.80 2.64 0.42 0.00 -4.23 -1.26 -4.98 115.64 107.44 1ww3 s THR 47 Ca 0.48 -1.53 0.18 0.00 -1.18 0.00 0.00 61.69 59.64 1ww3 s THR 47 Cb -0.34 -3.01 0.39 0.00 1.34 0.00 0.00 72.50 70.88 1ww3 s THR 47 CO 0.42 -0.04 1.84 -0.65 -0.54 0.00 0.00 174.62 175.65 1ww3 h PRO 48 N 1.27 0.39 -0.49 3.99 0.11 -1.99 0.88 132.00 136.15 1ww3 h PRO 48 Ca -0.42 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1ww3 h PRO 48 Cb 1.26 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1ww3 h PRO 48 CO 0.63 0.26 -0.02 -0.09 -0.21 0.00 0.00 178.00 178.57 1ww3 h ARG 49 N 0.40 0.83 -0.70 1.05 2.43 -1.97 -0.74 114.38 115.69 1ww3 h ARG 49 Ca 0.49 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 59.35 1ww3 h ARG 49 Cb 1.25 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1ww3 h ARG 49 CO -0.19 0.85 0.16 -0.44 -1.51 0.00 0.00 179.97 178.83 1ww3 h ASP 50 N 0.77 1.06 -0.31 -3.80 3.45 -1.23 -1.91 116.42 114.46 1ww3 h ASP 50 Ca 0.15 -0.23 -0.10 0.00 0.43 0.00 0.00 57.03 57.27 1ww3 h ASP 50 Cb 0.49 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1ww3 h ASP 50 CO 0.02 1.02 -0.16 1.88 -1.57 0.00 0.00 179.24 180.44 1ww3 h TYR 51 N 1.06 0.85 -0.30 4.55 0.05 -0.94 -1.37 116.97 120.87 1ww3 h TYR 51 Ca 0.22 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 1ww3 h TYR 51 Cb 0.38 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1ww3 h TYR 51 CO 0.03 0.87 0.19 -0.92 -1.05 0.00 0.00 178.16 177.28 1ww3 h TYR 52 N 0.68 0.39 -0.40 4.88 3.20 -0.76 -1.75 116.97 123.21 1ww3 h TYR 52 Ca 0.11 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1ww3 h TYR 52 Cb 0.65 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1ww3 h TYR 52 CO 0.03 0.28 -0.04 0.74 -1.64 0.00 0.00 178.16 177.53 1ww3 h PHE 53 N 0.40 0.70 -0.74 -3.82 -1.00 -1.09 -0.10 116.94 111.29 1ww3 h PHE 53 Ca 0.11 -0.10 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 1ww3 h PHE 53 Cb -0.01 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 1ww3 h PHE 53 CO -0.05 0.69 0.29 0.00 -1.61 0.00 0.00 178.31 177.63 1ww3 h ALA 54 N 1.34 0.96 -0.29 2.45 0.00 -0.97 -0.66 119.26 122.10 1ww3 h ALA 54 Ca 0.12 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1ww3 h ALA 54 Cb 0.45 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ww3 h ALA 54 CO 0.02 0.60 -0.15 1.25 0.00 0.00 0.00 179.25 180.97 1ww3 h LEU 55 N 1.07 0.63 -0.46 0.00 5.85 -0.90 -2.32 115.31 119.18 1ww3 h LEU 55 Ca 0.25 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1ww3 h LEU 55 Cb 0.22 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1ww3 h LEU 55 CO -0.02 0.90 0.24 0.00 -0.34 0.00 0.00 178.44 179.23 1ww3 h ALA 56 N 0.74 0.58 -0.40 1.25 0.00 -0.69 -0.16 119.26 120.59 1ww3 h ALA 56 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1ww3 h ALA 56 Cb 0.67 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ww3 h ALA 56 CO 0.04 -0.10 -0.05 0.45 0.00 0.00 0.00 179.25 179.59 1ww3 h HIS 57 N 0.48 0.71 -0.42 0.00 3.86 -1.12 0.69 115.15 119.34 1ww3 h HIS 57 Ca 0.20 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 1ww3 h HIS 57 Cb 0.09 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.35 1ww3 h HIS 57 CO -0.10 0.70 0.14 1.15 0.86 0.00 0.00 177.93 180.69 1ww3 h THR 58 N 0.62 1.21 -0.33 2.45 2.02 -0.77 -1.50 112.91 116.62 1ww3 h THR 58 Ca 0.12 -0.69 -0.16 0.00 0.77 0.00 0.00 66.41 66.45 1ww3 h THR 58 Cb 0.46 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1ww3 h THR 58 CO 0.02 0.25 -0.42 0.58 0.37 0.00 0.00 175.52 176.32 1ww3 h VAL 59 N 0.53 1.28 -0.98 3.16 2.07 -0.83 -3.02 116.25 118.47 1ww3 h VAL 59 Ca 0.14 -1.60 0.05 0.00 0.82 0.00 0.00 66.70 66.11 1ww3 h VAL 59 Cb 0.24 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 1ww3 h VAL 59 CO -0.01 0.52 0.64 -0.09 0.02 0.00 0.00 177.57 178.65 1ww3 h ARG 60 N 0.66 1.15 -0.86 1.57 2.43 -0.61 -2.32 114.38 116.40 1ww3 h ARG 60 Ca 0.05 -0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1ww3 h ARG 60 Cb 0.99 -0.26 -0.09 0.00 -0.42 0.00 0.00 29.97 30.19 1ww3 h ARG 60 CO 0.09 0.76 0.47 -0.44 -1.51 0.00 0.00 179.97 179.35 1ww3 h ASP 61 N 1.19 0.61 0.57 -3.80 3.45 -1.14 0.58 116.42 117.88 1ww3 h ASP 61 Ca 0.41 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.94 1ww3 h ASP 61 Cb 0.09 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1ww3 h ASP 61 CO -0.15 0.30 0.00 0.45 -1.57 0.00 0.00 179.24 178.26 1ww3 h HIS 62 N 0.71 0.00 0.10 4.55 3.86 -1.48 -3.03 115.15 119.86 1ww3 h HIS 62 Ca 0.45 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.34 1ww3 h HIS 62 Cb 0.56 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 1ww3 h HIS 62 CO -0.07 0.00 -1.70 1.25 0.86 0.00 0.00 177.93 178.26 1ww3 h LEU 63 N 0.00 0.35 -0.43 2.43 5.85 -0.88 -3.40 115.31 119.22 1ww3 h LEU 63 Ca 0.00 -0.59 0.03 0.00 0.84 0.00 0.00 57.88 58.17 1ww3 h LEU 63 Cb 0.29 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1ww3 h LEU 63 CO 0.00 1.51 0.22 -0.37 -0.34 0.00 0.00 178.44 179.46 1ww3 h VAL 64 N 0.06 0.98 -0.64 1.05 -1.51 -1.37 -0.36 116.25 114.46 1ww3 h VAL 64 Ca -0.31 -0.15 0.04 0.00 -1.23 0.00 0.00 66.70 65.05 1ww3 h VAL 64 Cb 2.03 0.50 -0.05 0.00 -2.13 0.00 0.00 31.29 31.64 1ww3 h VAL 64 CO 0.13 0.08 0.37 1.23 -1.23 0.00 0.00 177.57 178.15 1ww3 h GLY 65 N 0.45 0.92 1.84 5.19 0.00 -1.78 0.07 103.07 109.76 1ww3 h GLY 65 Ca 0.18 -0.27 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1ww3 h GLY 65 CO -0.12 0.20 -0.50 3.21 0.00 0.00 0.00 176.54 179.33 1ww3 h ARG 66 N 0.72 0.17 -0.25 4.80 3.08 -1.70 -2.72 114.38 118.47 1ww3 h ARG 66 Ca 0.27 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1ww3 h ARG 66 Cb 0.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1ww3 h ARG 66 CO -0.14 0.63 -0.00 2.35 -1.07 0.00 0.00 179.97 181.74 1ww3 h TRP 67 N 0.13 0.48 -0.40 3.04 7.01 -0.09 -1.65 115.95 124.48 1ww3 h TRP 67 Ca 0.00 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 60.89 1ww3 h TRP 67 Cb 0.94 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 1ww3 h TRP 67 CO 0.01 0.61 0.13 0.82 -2.79 0.00 0.00 178.44 177.22 1ww3 h ILE 68 N 0.22 1.21 0.00 2.65 2.04 -0.97 -2.72 117.51 119.94 1ww3 h ILE 68 Ca 0.07 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 1ww3 h ILE 68 Cb 0.42 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1ww3 h ILE 68 CO 0.01 0.25 -0.53 0.08 0.00 0.00 0.00 178.15 177.96 1ww3 h ARG 69 N 0.50 0.00 -0.09 2.37 0.11 -1.49 -1.80 114.38 113.98 1ww3 h ARG 69 Ca 0.13 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.20 1ww3 h ARG 69 Cb 0.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.33 1ww3 h ARG 69 CO -0.00 0.53 0.03 1.15 0.10 0.00 0.00 179.97 181.78 1ww3 h THR 70 N 0.00 1.15 -0.30 0.08 2.02 -1.20 0.28 112.91 114.94 1ww3 h THR 70 Ca -0.01 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 1ww3 h THR 70 Cb 1.12 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1ww3 h THR 70 CO 0.07 0.13 -0.04 1.56 0.37 0.00 0.00 175.52 177.61 1ww3 h GLN 71 N -0.02 0.48 -0.37 6.66 1.08 -1.41 -1.33 115.11 120.20 1ww3 h GLN 71 Ca 0.03 -0.11 -0.13 0.00 -1.45 0.00 0.00 58.65 56.98 1ww3 h GLN 71 Cb 0.18 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1ww3 h GLN 71 CO -0.00 0.54 -0.31 0.37 -0.95 0.00 0.00 178.83 178.48 1ww3 h GLN 72 N 0.46 0.80 0.06 1.46 5.75 -1.00 -2.37 115.11 120.28 1ww3 h GLN 72 Ca 0.10 -0.37 0.00 0.00 -0.15 0.00 0.00 58.65 58.22 1ww3 h GLN 72 Cb 0.37 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1ww3 h GLN 72 CO 0.02 1.00 -0.06 1.25 -2.65 0.00 0.00 178.83 178.39 1ww3 h HIS 73 N 0.68 -0.15 -0.57 3.99 2.76 0.42 -1.28 115.15 121.00 1ww3 h HIS 73 Ca 0.07 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.27 1ww3 h HIS 73 Cb 0.86 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.85 1ww3 h HIS 73 CO 0.05 -0.10 0.38 1.88 -1.30 0.00 0.00 177.93 178.84 1ww3 h TYR 74 N -0.14 0.66 -0.65 5.26 0.05 -1.19 -0.21 116.97 120.75 1ww3 h TYR 74 Ca 0.00 0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.71 1ww3 h TYR 74 Cb 0.13 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1ww3 h TYR 74 CO -0.10 0.39 0.06 -0.92 -1.05 0.00 0.00 178.16 176.54 1ww3 h TYR 75 N 0.69 1.19 0.10 4.88 3.20 -0.88 0.35 116.97 126.50 1ww3 h TYR 75 Ca 0.22 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ww3 h TYR 75 Cb 0.05 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.00 1ww3 h TYR 75 CO -0.00 1.02 -0.05 0.93 -1.64 0.00 0.00 178.16 178.42 1ww3 h GLU 76 N 1.02 -0.13 0.00 1.82 4.39 -0.22 -3.31 114.58 118.16 1ww3 h GLU 76 Ca 0.19 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 1ww3 h GLU 76 Cb 0.50 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1ww3 h GLU 76 CO 0.02 0.36 -0.29 0.87 -1.16 0.00 0.00 179.01 178.81 1ww3 h LYS 77 N -0.71 0.00 -6.34 2.33 1.79 -1.13 -3.48 116.57 109.02 1ww3 h LYS 77 Ca -0.01 0.00 -0.46 0.00 -2.18 0.00 0.00 60.65 57.99 1ww3 h LYS 77 Cb 0.55 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.24 1ww3 h LYS 77 CO 0.02 0.29 -0.93 -3.47 -1.08 0.00 0.00 179.45 174.29 1ww3 n ASP 78 N -3.22 -3.70 -4.31 0.86 2.03 0.12 -4.97 116.55 103.36 1ww3 n ASP 78 Ca 0.02 -1.03 -0.30 0.00 0.52 0.00 0.00 54.79 54.01 1ww3 n ASP 78 Cb 0.60 -3.19 0.17 0.00 -0.72 0.00 0.00 41.12 37.98 1ww3 n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ww3 s PRO 79 N -6.24 0.59 0.18 -0.67 0.04 -1.26 -4.98 135.00 122.66 1ww3 s PRO 79 Ca 0.33 -0.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 1ww3 s PRO 79 Cb -0.12 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 1ww3 s PRO 79 CO 0.87 -2.49 1.33 0.21 0.04 0.00 0.00 177.00 176.97 1ww3 s LYS 80 N -5.64 4.37 -0.02 4.56 2.20 -1.26 -4.97 119.74 118.97 1ww3 s LYS 80 Ca 0.70 2.07 -0.13 0.00 -0.36 0.00 0.00 55.97 58.25 1ww3 s LYS 80 Cb -0.08 -3.20 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1ww3 s LYS 80 CO 0.53 -0.31 0.35 1.03 -0.36 0.00 0.00 175.35 176.60 1ww3 s ARG 81 N 0.18 3.81 -0.20 4.03 3.00 -0.35 -4.55 118.95 124.87 1ww3 s ARG 81 Ca 0.59 0.28 -0.04 0.00 0.00 0.00 0.00 55.73 56.56 1ww3 s ARG 81 Cb -0.37 -3.20 -0.02 0.00 0.00 0.00 0.00 34.95 31.36 1ww3 s ARG 81 CO 0.36 0.70 -0.02 0.42 0.00 0.00 0.00 175.30 176.77 1ww3 s ILE 82 N -1.09 3.73 -0.27 1.52 -1.09 -0.47 -1.40 121.20 122.13 1ww3 s ILE 82 Ca 0.23 -0.39 -0.03 0.00 -2.23 0.00 0.00 60.65 58.23 1ww3 s ILE 82 Cb -0.16 -2.68 0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1ww3 s ILE 82 CO 0.12 0.43 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.93 1ww3 s TYR 83 N 1.10 3.14 -0.46 3.97 2.02 0.78 -0.84 117.35 127.06 1ww3 s TYR 83 Ca 0.02 -1.54 -0.16 0.00 -0.37 0.00 0.00 57.07 55.02 1ww3 s TYR 83 Cb -0.14 -2.11 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 1ww3 s TYR 83 CO 0.01 -0.72 0.41 -0.47 -1.57 0.00 0.00 175.55 173.21 1ww3 s TYR 84 N 1.34 3.21 -0.20 2.71 5.04 -0.39 -0.79 117.35 128.27 1ww3 s TYR 84 Ca -0.01 -0.78 -0.17 0.00 -2.44 0.00 0.00 57.07 53.67 1ww3 s TYR 84 Cb -0.18 -3.10 -0.04 0.00 0.35 0.00 0.00 41.96 39.00 1ww3 s TYR 84 CO -0.02 -0.78 0.44 -0.51 -1.34 0.00 0.00 175.55 173.33 1ww3 s LEU 85 N 1.81 4.16 -0.07 6.97 1.43 -0.68 -1.61 118.68 130.68 1ww3 s LEU 85 Ca 0.06 0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 1ww3 s LEU 85 Cb -0.22 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.45 1ww3 s LEU 85 CO 0.08 -0.10 0.40 -0.55 0.23 0.00 0.00 176.35 176.41 1ww3 s SER 86 N 1.05 -0.35 0.00 2.29 0.15 -0.97 -2.07 113.70 113.81 1ww3 s SER 86 Ca 0.21 0.45 0.28 0.00 0.70 0.00 0.00 55.95 57.59 1ww3 s SER 86 Cb -0.15 0.54 1.09 0.00 -1.71 0.00 0.00 66.02 65.80 1ww3 s SER 86 CO 0.09 -0.36 1.77 0.18 1.20 0.00 0.00 173.24 176.11 1ww3 n LEU 87 N 1.79 1.10 -3.81 3.45 4.32 -1.26 -4.17 117.00 118.41 1ww3 n LEU 87 Ca -0.18 -0.33 -0.13 0.00 -0.02 0.00 0.00 56.01 55.35 1ww3 n LEU 87 Cb 0.56 -0.05 -0.15 0.00 -1.62 0.00 0.00 43.42 42.17 1ww3 n LEU 87 CO 0.19 0.19 -0.33 -1.61 -1.22 0.00 0.00 177.39 174.61 1ww3 s GLU 88 N -2.18 0.01 -0.28 3.23 2.02 -1.26 -4.69 118.70 115.55 1ww3 s GLU 88 Ca 0.35 0.13 -0.03 0.00 0.02 0.00 0.00 54.97 55.43 1ww3 s GLU 88 Cb 0.21 -0.11 0.09 0.00 0.10 0.00 0.00 34.13 34.42 1ww3 s GLU 88 CO 0.40 -0.09 0.12 -0.06 0.02 0.00 0.00 175.26 175.65 1ww3 s PHE 89 N 0.56 0.60 -1.11 1.61 0.40 -0.28 -4.59 117.98 115.17 1ww3 s PHE 89 Ca -0.05 -0.97 -0.14 0.00 -0.60 0.00 0.00 56.93 55.17 1ww3 s PHE 89 Cb -0.07 -1.03 0.17 0.00 0.51 0.00 0.00 43.02 42.61 1ww3 s PHE 89 CO -0.02 -0.79 1.29 -0.47 0.70 0.00 0.00 175.22 175.93 1ww3 s TYR 90 N 2.00 3.50 0.18 0.36 6.14 -0.27 -3.47 117.35 125.79 1ww3 s TYR 90 Ca 0.08 -2.01 0.02 0.00 0.64 0.00 0.00 57.07 55.80 1ww3 s TYR 90 Cb -0.16 -4.23 0.04 0.00 0.42 0.00 0.00 41.96 38.02 1ww3 s TYR 90 CO -0.30 -1.35 1.41 0.52 0.64 0.00 0.00 175.55 176.46 1ww3 h MET 91 N 7.54 0.23 0.00 4.97 2.86 -1.79 -3.41 114.93 125.33 1ww3 h MET 91 Ca 0.25 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ww3 h MET 91 Cb 0.92 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1ww3 h MET 91 CO 1.16 0.93 0.00 0.41 1.06 0.00 0.00 176.91 180.47 1ww3 n GLY 92 N 0.74 -0.22 3.84 8.32 0.00 -0.92 -4.80 105.19 112.16 1ww3 n GLY 92 Ca -0.04 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 1ww3 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ww3 s ARG 93 N 0.00 4.01 -0.05 1.61 0.52 -1.26 -1.61 118.95 122.17 1ww3 s ARG 93 Ca 0.00 0.87 0.10 0.00 -0.52 0.00 0.00 55.73 56.18 1ww3 s ARG 93 Cb 0.00 -2.24 -0.14 0.00 0.52 0.00 0.00 34.95 33.09 1ww3 s ARG 93 CO 0.00 -0.09 0.14 2.41 0.02 0.00 0.00 175.30 177.79 1ww3 n THR 94 N -1.04 0.27 0.30 0.02 -1.04 -1.26 -4.65 114.28 106.88 1ww3 n THR 94 Ca 0.05 -0.30 -0.18 0.00 -2.04 0.00 0.00 64.05 61.58 1ww3 n THR 94 Cb 0.54 -0.16 -0.10 0.00 -1.82 0.00 0.00 70.33 68.79 1ww3 n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1ww3 h LEU 95 N 0.00 -1.39 -0.60 -4.42 5.85 -1.96 -1.55 115.31 111.24 1ww3 h LEU 95 Ca -0.11 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ww3 h LEU 95 Cb 0.94 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 42.40 1ww3 h LEU 95 CO 0.01 -0.67 0.32 -0.61 -0.34 0.00 0.00 178.44 177.14 1ww3 h GLN 96 N -1.01 0.85 -0.98 1.25 4.15 -1.96 -2.12 115.11 115.28 1ww3 h GLN 96 Ca -0.06 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.31 1ww3 h GLN 96 Cb 0.87 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.34 1ww3 h GLN 96 CO -0.06 0.66 0.64 -0.97 -1.93 0.00 0.00 178.83 177.16 1ww3 h ASN 97 N 0.82 1.01 -0.48 -0.69 -0.73 -1.81 0.30 115.58 114.00 1ww3 h ASN 97 Ca 0.21 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.32 1ww3 h ASN 97 Cb 0.07 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.43 1ww3 h ASN 97 CO -0.03 0.65 0.03 0.74 -0.37 0.00 0.00 177.43 178.44 1ww3 h THR 98 N 1.15 1.26 -0.53 -3.57 2.02 -0.85 -2.03 112.91 110.36 1ww3 h THR 98 Ca 0.42 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1ww3 h THR 98 Cb 0.17 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1ww3 h THR 98 CO -0.16 0.36 0.18 0.24 0.37 0.00 0.00 175.52 176.50 1ww3 h MET 99 N 0.68 0.82 -0.05 6.66 2.86 -0.69 -1.74 114.93 123.47 1ww3 h MET 99 Ca 0.14 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1ww3 h MET 99 Cb 0.47 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1ww3 h MET 99 CO 0.02 0.74 -0.03 0.28 1.06 0.00 0.00 176.91 178.97 1ww3 h VAL 100 N 0.73 0.89 0.00 -2.22 2.07 -0.83 0.60 116.25 117.49 1ww3 h VAL 100 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1ww3 h VAL 100 Cb 0.25 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1ww3 h VAL 100 CO -0.01 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.36 1ww3 h ASN 101 N -0.04 0.00 -0.05 0.57 4.21 -1.25 -2.63 115.58 116.39 1ww3 h ASN 101 Ca 0.03 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.54 1ww3 h ASN 101 Cb 0.09 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1ww3 h ASN 101 CO -0.08 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.24 1ww3 n LEU 102 N -3.06 2.70 -3.06 1.61 4.32 -0.66 -0.75 117.00 118.10 1ww3 n LEU 102 Ca 0.00 -1.04 -0.22 0.00 -0.02 0.00 0.00 56.01 54.74 1ww3 n LEU 102 Cb 0.27 -0.02 0.05 0.00 -1.62 0.00 0.00 43.42 42.10 1ww3 n LEU 102 CO 0.26 0.47 0.09 0.00 -1.22 0.00 0.00 177.39 176.99 1ww3 n ALA 103 N 1.13 -1.03 0.50 -1.18 0.00 0.00 -4.91 120.51 115.01 1ww3 n ALA 103 Ca 0.12 0.32 0.07 0.00 0.00 0.00 0.00 53.44 53.95 1ww3 n ALA 103 Cb 0.50 -4.29 0.07 0.00 0.00 0.00 0.00 19.45 15.73 1ww3 n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ww3 n LEU 104 N -4.17 2.25 0.04 0.00 4.32 -0.05 -4.48 117.00 114.92 1ww3 n LEU 104 Ca -0.07 -1.10 -0.11 0.00 -0.02 0.00 0.00 56.01 54.72 1ww3 n LEU 104 Cb 0.59 -0.03 -0.05 0.00 -1.62 0.00 0.00 43.42 42.31 1ww3 n LEU 104 CO 0.51 0.43 0.81 -0.08 -1.22 0.00 0.00 177.39 177.84 1ww3 h GLU 105 N 2.71 -0.12 -0.54 3.23 4.81 -1.63 -1.19 114.58 121.85 1ww3 h GLU 105 Ca 0.00 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1ww3 h GLU 105 Cb 0.60 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1ww3 h GLU 105 CO 0.00 -0.08 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.18 1ww3 h ASN 106 N -0.13 1.01 -0.54 1.04 2.35 -1.55 -0.97 115.58 116.78 1ww3 h ASN 106 Ca 0.04 -0.33 -0.00 0.00 -0.55 0.00 0.00 56.30 55.46 1ww3 h ASN 106 Cb 0.18 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1ww3 h ASN 106 CO -0.09 1.11 0.33 0.00 -1.65 0.00 0.00 177.43 177.14 1ww3 h ALA 107 N 0.97 0.69 -0.09 -0.83 0.00 -1.62 0.70 119.26 119.07 1ww3 h ALA 107 Ca 0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1ww3 h ALA 107 Cb 0.66 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ww3 h ALA 107 CO 0.05 0.16 -0.51 0.00 0.00 0.00 0.00 179.25 178.94 1ww3 h ASP 109 N 0.20 0.36 -0.06 0.00 1.82 -0.60 -1.01 116.42 117.14 1ww3 h ASP 109 Ca 0.01 -0.18 -0.01 0.00 -0.39 0.00 0.00 57.03 56.46 1ww3 h ASP 109 Cb 0.98 -0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.89 1ww3 h ASP 109 CO 0.08 0.44 0.01 -0.08 -1.61 0.00 0.00 179.24 178.08 1ww3 h GLU 110 N 0.26 0.11 -0.30 0.28 4.57 -0.70 -1.46 114.58 117.33 1ww3 h GLU 110 Ca 0.09 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1ww3 h GLU 110 Cb 0.20 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1ww3 h GLU 110 CO -0.01 0.34 0.03 0.00 -1.18 0.00 0.00 179.01 178.19 1ww3 h ALA 111 N 0.76 0.30 -0.18 2.92 0.00 -0.92 -0.41 119.26 121.72 1ww3 h ALA 111 Ca 0.02 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1ww3 h ALA 111 Cb 0.29 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ww3 h ALA 111 CO 0.00 -0.38 -0.29 1.79 0.00 0.00 0.00 179.25 180.37 1ww3 h THR 112 N 0.13 1.27 -0.45 0.00 1.35 -1.19 -2.52 112.91 111.49 1ww3 h THR 112 Ca 0.14 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.72 1ww3 h THR 112 Cb 0.18 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1ww3 h THR 112 CO -0.22 0.39 0.24 0.22 -0.25 0.00 0.00 175.52 175.91 1ww3 h TYR 113 N 0.30 0.62 0.00 4.73 3.20 -0.37 0.11 116.97 125.56 1ww3 h TYR 113 Ca 0.04 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1ww3 h TYR 113 Cb 0.67 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 1ww3 h TYR 113 CO 0.02 0.48 -0.10 1.96 -1.64 0.00 0.00 178.16 178.87 1ww3 h GLN 114 N 0.59 0.00 -0.08 1.82 4.20 -0.85 -0.38 115.11 120.42 1ww3 h GLN 114 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1ww3 h GLN 114 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1ww3 h GLN 114 CO -0.02 0.10 0.00 1.28 -0.67 0.00 0.00 178.83 179.51 1ww3 n LEU 115 N -3.48 1.34 -0.52 1.46 4.32 -0.76 -4.92 117.00 114.44 1ww3 n LEU 115 Ca -0.01 -0.50 -0.04 0.00 -0.02 0.00 0.00 56.01 55.43 1ww3 n LEU 115 Cb 0.25 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.00 1ww3 n LEU 115 CO 0.29 0.25 -0.03 0.61 -1.22 0.00 0.00 177.39 177.29 1ww3 n GLY 116 N 1.11 0.30 3.28 -0.72 0.00 -0.15 -5.06 105.19 103.96 1ww3 n GLY 116 Ca 0.18 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1ww3 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ww3 s LEU 117 N -1.22 2.32 -0.43 0.99 1.43 0.31 -5.01 118.68 117.07 1ww3 s LEU 117 Ca 0.02 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.27 1ww3 s LEU 117 Cb -0.01 -0.83 0.04 0.00 0.03 0.00 0.00 46.19 45.43 1ww3 s LEU 117 CO 0.02 0.03 0.32 -0.62 0.23 0.00 0.00 176.35 176.32 1ww3 s ASP 118 N -2.01 6.03 0.44 2.29 3.68 -1.26 -3.42 116.67 122.42 1ww3 s ASP 118 Ca 0.07 -1.11 0.14 0.00 2.13 0.00 0.00 52.55 53.77 1ww3 s ASP 118 Cb -0.09 -2.13 1.03 0.00 -1.45 0.00 0.00 42.92 40.28 1ww3 s ASP 118 CO 0.04 -0.52 2.00 -0.03 0.13 0.00 0.00 175.17 176.80 1ww3 h MET 119 N 8.63 0.38 -0.37 4.34 1.85 -1.91 -1.42 114.93 126.43 1ww3 h MET 119 Ca -0.27 -0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 58.73 1ww3 h MET 119 Cb 1.11 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.04 1ww3 h MET 119 CO 0.77 0.25 -0.06 0.93 -0.40 0.00 0.00 176.91 178.41 1ww3 h GLU 120 N 0.39 0.62 -0.54 0.39 5.08 -2.00 -1.17 114.58 117.34 1ww3 h GLU 120 Ca 0.24 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1ww3 h GLU 120 Cb 0.45 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1ww3 h GLU 120 CO -0.06 0.68 -0.02 1.49 -1.00 0.00 0.00 179.01 180.10 1ww3 h GLU 121 N 0.57 0.97 -0.46 2.33 4.81 -1.69 -2.95 114.58 118.16 1ww3 h GLU 121 Ca 0.11 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 58.93 1ww3 h GLU 121 Cb 0.45 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1ww3 h GLU 121 CO 0.02 0.99 -0.10 -0.07 -0.73 0.00 0.00 179.01 179.12 1ww3 h LEU 122 N 0.85 0.81 -1.58 1.64 4.07 -1.13 -2.97 115.31 117.01 1ww3 h LEU 122 Ca 0.15 -0.24 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 1ww3 h LEU 122 Cb 0.56 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1ww3 h LEU 122 CO 0.03 0.93 -0.14 -0.33 -1.08 0.00 0.00 178.44 177.86 1ww3 h GLU 123 N 0.75 0.10 0.00 1.13 5.08 -1.07 -2.20 114.58 118.36 1ww3 h GLU 123 Ca 0.13 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1ww3 h GLU 123 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1ww3 h GLU 123 CO 0.04 0.24 0.00 0.39 -1.00 0.00 0.00 179.01 178.68 1ww3 n GLU 124 N -4.33 0.09 0.06 2.33 -0.58 -1.12 -2.85 120.64 114.24 1ww3 n GLU 124 Ca -0.02 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.85 1ww3 n GLU 124 Cb 0.24 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.53 1ww3 n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1ww3 h ILE 125 N 0.00 1.12 -3.73 -3.67 2.04 -1.48 -3.47 117.51 108.33 1ww3 h ILE 125 Ca 0.00 -2.73 -0.53 0.00 1.00 0.00 0.00 64.86 62.60 1ww3 h ILE 125 Cb 0.27 2.52 0.09 0.00 -0.74 0.00 0.00 36.82 38.96 1ww3 h ILE 125 CO 0.00 0.64 0.79 -0.70 0.00 0.00 0.00 178.15 178.88 1ww3 s GLU 126 N -2.79 4.16 0.27 2.37 2.12 -1.13 -4.99 118.70 118.70 1ww3 s GLU 126 Ca 0.00 2.50 -0.22 0.00 0.36 0.00 0.00 54.97 57.61 1ww3 s GLU 126 Cb 0.09 -3.01 -0.09 0.00 0.26 0.00 0.00 34.13 31.38 1ww3 s GLU 126 CO 0.80 -0.50 0.82 -2.00 -0.54 0.00 0.00 175.26 173.84 1ww3 s GLU 127 N -1.49 4.40 0.35 4.30 2.56 -1.26 -4.98 118.70 122.57 1ww3 s GLU 127 Ca 0.55 1.07 -0.27 0.00 0.00 0.00 0.00 54.97 56.33 1ww3 s GLU 127 Cb -0.46 -2.84 -0.09 0.00 2.00 0.00 0.00 34.13 32.75 1ww3 s GLU 127 CO 0.56 0.34 1.11 -0.51 -0.56 0.00 0.00 175.26 176.20 1ww3 s ASP 128 N -1.64 6.92 -0.86 -1.70 -0.00 -1.26 -4.58 116.67 113.55 1ww3 s ASP 128 Ca 0.46 2.23 -0.19 0.00 -0.00 0.00 0.00 52.55 55.05 1ww3 s ASP 128 Cb -0.17 -2.61 0.13 0.00 -0.00 0.00 0.00 42.92 40.26 1ww3 s ASP 128 CO 0.22 -0.39 1.04 0.00 -0.00 0.00 0.00 175.17 176.05 1ww3 s ALA 129 N -1.37 3.39 -1.04 5.23 0.00 -0.64 -4.89 121.76 122.45 1ww3 s ALA 129 Ca 0.52 -2.64 -0.04 0.00 0.00 0.00 0.00 51.96 49.80 1ww3 s ALA 129 Cb -0.29 -3.94 0.18 0.00 0.00 0.00 0.00 23.12 19.07 1ww3 s ALA 129 CO 0.37 -2.85 2.29 0.41 0.00 0.00 0.00 175.76 175.97 1ww3 n GLY 130 N 5.34 5.32 1.74 0.00 0.00 -1.26 -2.16 105.19 114.17 1ww3 n GLY 130 Ca 0.17 -2.20 -0.11 0.00 0.00 0.00 0.00 46.02 43.88 1ww3 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ww3 n LEU 131 N 0.89 5.95 -3.72 0.99 4.77 -1.23 -1.13 117.00 123.52 1ww3 n LEU 131 Ca 0.55 -2.95 -0.09 0.00 -0.03 0.00 0.00 56.01 53.49 1ww3 n LEU 131 Cb 0.31 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1ww3 n LEU 131 CO 0.56 1.12 0.40 -0.83 -1.33 0.00 0.00 177.39 177.30 1ww3 s GLY 132 N 0.67 -0.20 -0.15 -0.72 0.00 -1.26 -1.12 107.32 104.54 1ww3 s GLY 132 Ca 0.21 -0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.89 1ww3 s GLY 132 CO 0.00 -0.08 0.22 0.70 0.00 0.00 0.00 173.10 173.94 1ww3 n ASN 133 N -0.41 1.32 0.00 1.64 3.02 -1.26 -4.46 115.26 115.11 1ww3 n ASN 133 Ca -0.09 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1ww3 n ASN 133 Cb 0.61 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1ww3 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ww3 n GLY 134 N 1.90 -0.15 0.20 7.41 0.00 -1.26 -4.93 105.19 108.36 1ww3 n GLY 134 Ca -0.32 0.54 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 1ww3 n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ww3 h GLY 135 N 0.00 0.52 0.97 -0.02 0.00 -1.98 -0.56 103.07 102.00 1ww3 h GLY 135 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1ww3 h GLY 135 CO 0.00 -0.12 0.18 -2.00 0.00 0.00 0.00 176.54 174.60 1ww3 h LEU 136 N 0.14 0.71 -0.59 3.11 5.85 -1.99 -1.22 115.31 121.33 1ww3 h LEU 136 Ca 0.25 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 1ww3 h LEU 136 Cb 0.36 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1ww3 h LEU 136 CO -0.39 0.71 -0.49 1.23 -0.34 0.00 0.00 178.44 179.17 1ww3 h GLY 137 N 0.67 0.61 1.89 3.75 0.00 -1.75 -2.91 103.07 105.34 1ww3 h GLY 137 Ca 0.16 -0.66 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1ww3 h GLY 137 CO -0.01 0.60 -0.60 -0.09 0.00 0.00 0.00 176.54 176.44 1ww3 h ARG 138 N 0.44 0.11 -0.60 4.80 9.65 -1.00 -0.65 114.38 127.14 1ww3 h ARG 138 Ca 0.02 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 58.80 1ww3 h ARG 138 Cb 1.01 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.57 1ww3 h ARG 138 CO 0.09 0.68 0.29 1.25 2.80 0.00 0.00 179.97 185.08 1ww3 h LEU 139 N 0.09 0.79 -0.99 3.80 5.85 -1.11 -0.26 115.31 123.48 1ww3 h LEU 139 Ca -0.01 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ww3 h LEU 139 Cb 1.07 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.85 1ww3 h LEU 139 CO 0.08 0.70 0.65 0.00 -0.34 0.00 0.00 178.44 179.54 1ww3 h ALA 140 N 1.12 1.27 -0.25 1.25 0.00 -1.37 0.11 119.26 121.39 1ww3 h ALA 140 Ca 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1ww3 h ALA 140 Cb 0.12 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1ww3 h ALA 140 CO -0.03 0.61 0.02 0.00 0.00 0.00 0.00 179.25 179.86 1ww3 h ALA 141 N 1.37 0.34 -0.60 0.00 0.00 -1.10 -1.48 119.26 117.79 1ww3 h ALA 141 Ca 0.37 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1ww3 h ALA 141 Cb -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1ww3 h ALA 141 CO -0.09 0.05 0.11 0.00 0.00 0.00 0.00 179.25 179.32 1ww3 h PHE 143 N 0.91 0.89 -0.84 0.00 -1.00 -0.59 -1.32 116.94 114.99 1ww3 h PHE 143 Ca 0.19 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.97 1ww3 h PHE 143 Cb 0.38 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 1ww3 h PHE 143 CO 0.02 0.61 0.55 -0.07 -1.61 0.00 0.00 178.31 177.82 1ww3 h LEU 144 N 0.91 0.96 -0.22 1.54 4.07 -0.98 0.48 115.31 122.06 1ww3 h LEU 144 Ca 0.24 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.17 1ww3 h LEU 144 Cb -0.01 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 1ww3 h LEU 144 CO -0.04 0.69 0.12 -0.78 -1.08 0.00 0.00 178.44 177.35 1ww3 h ASP 145 N 1.13 0.27 -0.34 -0.43 3.58 -1.17 -2.44 116.42 117.02 1ww3 h ASP 145 Ca 0.31 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.58 1ww3 h ASP 145 Cb -0.12 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 1ww3 h ASP 145 CO -0.07 0.28 -0.10 0.28 -2.88 0.00 0.00 179.24 176.75 1ww3 h SER 146 N 0.24 0.75 -0.16 2.28 0.02 -0.87 -1.73 113.55 114.09 1ww3 h SER 146 Ca 0.08 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 1ww3 h SER 146 Cb 0.07 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1ww3 h SER 146 CO -0.01 0.88 -0.07 0.24 -1.14 0.00 0.00 176.83 176.73 1ww3 h MET 147 N 0.70 0.48 -0.12 3.45 2.86 -0.73 -0.48 114.93 121.09 1ww3 h MET 147 Ca 0.12 -0.12 -0.23 0.00 -2.06 0.00 0.00 59.70 57.41 1ww3 h MET 147 Cb 0.57 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1ww3 h MET 147 CO 0.04 0.57 -0.82 0.00 1.06 0.00 0.00 176.91 177.75 1ww3 h ALA 148 N 1.47 0.31 0.00 6.32 0.00 -1.26 -0.97 119.26 125.14 1ww3 h ALA 148 Ca 0.09 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1ww3 h ALA 148 Cb 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ww3 h ALA 148 CO 0.02 0.70 -0.31 1.15 0.00 0.00 0.00 179.25 180.81 1ww3 h THR 149 N 0.49 1.13 -0.55 0.00 2.02 -0.96 -2.55 112.91 112.49 1ww3 h THR 149 Ca -0.06 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.02 1ww3 h THR 149 Cb 1.45 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1ww3 h THR 149 CO 0.16 0.30 0.00 0.18 0.37 0.00 0.00 175.52 176.54 1ww3 n LEU 150 N -4.03 3.65 -2.89 2.58 4.77 -0.22 -4.72 117.00 116.13 1ww3 n LEU 150 Ca -0.02 -1.83 -0.21 0.00 -0.03 0.00 0.00 56.01 53.91 1ww3 n LEU 150 Cb 0.37 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1ww3 n LEU 150 CO 0.37 0.72 0.01 0.61 -1.33 0.00 0.00 177.39 177.77 1ww3 n GLY 151 N 1.16 -0.46 3.85 -0.72 0.00 -0.96 0.60 105.19 108.66 1ww3 n GLY 151 Ca 0.20 0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1ww3 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ww3 s LEU 152 N -6.38 4.43 -1.30 0.99 1.43 -0.38 -4.66 118.68 112.81 1ww3 s LEU 152 Ca 0.30 0.86 -0.17 0.00 -1.03 0.00 0.00 54.13 54.09 1ww3 s LEU 152 Cb -0.13 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.44 1ww3 s LEU 152 CO 0.37 0.28 1.96 0.00 0.23 0.00 0.00 176.35 179.19 1ww3 n ALA 153 N 1.53 4.09 -2.68 4.21 0.00 -1.26 -4.67 120.51 121.73 1ww3 n ALA 153 Ca -0.13 -3.73 -0.32 0.00 0.00 0.00 0.00 53.44 49.27 1ww3 n ALA 153 Cb 0.53 -3.57 -0.09 0.00 0.00 0.00 0.00 19.45 16.32 1ww3 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ww3 s ALA 154 N 4.60 3.26 -0.06 0.00 0.00 -1.26 -1.36 121.76 126.94 1ww3 s ALA 154 Ca 0.53 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.49 1ww3 s ALA 154 Cb 0.08 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.95 1ww3 s ALA 154 CO 0.03 0.66 -0.08 0.71 0.00 0.00 0.00 175.76 177.08 1ww3 s TYR 155 N -1.16 1.10 -0.15 0.00 2.02 -0.02 -4.00 117.35 115.14 1ww3 s TYR 155 Ca 0.22 -0.37 -0.12 0.00 -0.37 0.00 0.00 57.07 56.42 1ww3 s TYR 155 Cb -0.12 -0.87 -0.05 0.00 -0.40 0.00 0.00 41.96 40.53 1ww3 s TYR 155 CO 0.13 -0.24 0.25 0.20 -1.57 0.00 0.00 175.55 174.32 1ww3 s GLY 156 N 0.81 2.19 -0.09 0.71 0.00 -0.88 -1.26 107.32 108.80 1ww3 s GLY 156 Ca -0.12 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.12 1ww3 s GLY 156 CO 0.02 0.23 -0.18 -0.19 0.00 0.00 0.00 173.10 172.98 1ww3 s TYR 157 N 0.08 2.02 0.00 1.90 2.02 -0.64 0.07 117.35 122.80 1ww3 s TYR 157 Ca 0.15 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.01 1ww3 s TYR 157 Cb -0.13 -1.41 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1ww3 s TYR 157 CO 0.04 -0.38 0.00 0.41 -1.57 0.00 0.00 175.55 174.04 1ww3 n GLY 158 N 3.79 3.60 3.33 0.71 0.00 -0.76 -2.28 105.19 113.58 1ww3 n GLY 158 Ca -0.21 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1ww3 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ww3 s ILE 159 N -1.67 2.35 -0.93 -0.61 1.01 -1.26 -1.17 121.20 118.92 1ww3 s ILE 159 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.50 1ww3 s ILE 159 Cb 0.00 -1.87 0.14 0.00 0.01 0.00 0.00 42.46 40.74 1ww3 s ILE 159 CO 0.00 0.57 1.11 -0.60 0.00 0.00 0.00 174.94 176.02 1ww3 s ARG 160 N -0.37 3.62 0.20 2.79 3.52 -0.04 -4.77 118.95 123.90 1ww3 s ARG 160 Ca 0.03 -1.85 -0.30 0.00 -0.13 0.00 0.00 55.73 53.48 1ww3 s ARG 160 Cb -0.12 -4.88 -0.08 0.00 -1.56 0.00 0.00 34.95 28.30 1ww3 s ARG 160 CO 0.02 -1.73 1.20 0.71 -0.81 0.00 0.00 175.30 174.69 1ww3 s TYR 161 N 2.44 3.41 -0.55 5.12 2.02 -1.26 -4.75 117.35 123.78 1ww3 s TYR 161 Ca 0.32 1.43 0.25 0.00 -0.37 0.00 0.00 57.07 58.70 1ww3 s TYR 161 Cb -0.05 -3.44 0.65 0.00 -0.40 0.00 0.00 41.96 38.71 1ww3 s TYR 161 CO -0.09 -1.23 1.71 1.05 -1.57 0.00 0.00 175.55 175.42 1ww3 h GLU 162 N 5.03 0.00 -4.28 -0.62 4.11 -1.08 -3.41 114.58 114.33 1ww3 h GLU 162 Ca -0.45 0.00 -0.56 0.00 0.07 0.00 0.00 59.36 58.42 1ww3 h GLU 162 Cb 1.21 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.09 1ww3 h GLU 162 CO 0.74 0.00 -0.80 -0.06 0.07 0.00 0.00 179.01 178.95 1ww3 s PHE 163 N -3.19 1.75 0.00 2.06 0.40 -0.43 -4.31 117.98 114.26 1ww3 s PHE 163 Ca 0.08 -1.04 0.00 0.00 -0.60 0.00 0.00 56.93 55.38 1ww3 s PHE 163 Cb 0.09 -1.35 0.00 0.00 0.51 0.00 0.00 43.02 42.27 1ww3 s PHE 163 CO 0.61 -0.60 0.00 0.41 0.70 0.00 0.00 175.22 176.34 1ww3 n GLY 164 N 4.87 1.03 3.74 4.36 0.00 -1.22 -2.15 105.19 115.82 1ww3 n GLY 164 Ca -0.13 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1ww3 n GLY 164 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ww3 s ILE 165 N 1.11 2.11 0.68 -0.61 1.10 -0.29 -4.57 121.20 120.74 1ww3 s ILE 165 Ca 0.00 0.09 -0.17 0.00 -0.51 0.00 0.00 60.65 60.06 1ww3 s ILE 165 Cb 0.00 -3.06 -0.00 0.00 0.15 0.00 0.00 42.46 39.55 1ww3 s ILE 165 CO 0.00 0.01 1.12 2.22 -2.11 0.00 0.00 174.94 176.18 1ww3 n PHE 166 N 2.67 1.23 -2.95 3.50 1.16 -1.26 -4.58 117.46 117.24 1ww3 n PHE 166 Ca 0.10 0.41 -0.40 0.00 -1.87 0.00 0.00 57.45 55.69 1ww3 n PHE 166 Cb 0.37 -2.16 -0.04 0.00 -1.61 0.00 0.00 39.48 36.04 1ww3 n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1ww3 s ASN 167 N -1.53 7.12 -0.15 5.98 0.01 -0.19 -4.89 114.94 121.29 1ww3 s ASN 167 Ca 0.78 1.35 -0.18 0.00 -0.71 0.00 0.00 52.86 54.09 1ww3 s ASN 167 Cb -0.36 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 38.80 1ww3 s ASN 167 CO 0.46 -0.14 0.48 -1.58 -1.51 0.00 0.00 177.10 174.81 1ww3 s GLN 168 N 0.76 4.28 0.08 -0.60 0.74 -1.26 -1.94 119.66 121.73 1ww3 s GLN 168 Ca 0.42 0.41 0.09 0.00 0.05 0.00 0.00 55.36 56.33 1ww3 s GLN 168 Cb -0.19 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 1ww3 s GLN 168 CO 0.21 0.05 -0.24 0.15 -0.55 0.00 0.00 175.29 174.91 1ww3 s LYS 169 N 0.99 1.72 -0.24 1.67 -0.14 -0.36 -3.87 119.74 119.50 1ww3 s LYS 169 Ca 0.25 -1.17 -0.04 0.00 -1.36 0.00 0.00 55.97 53.64 1ww3 s LYS 169 Cb -0.15 -2.01 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 1ww3 s LYS 169 CO 0.10 0.49 -0.03 0.42 -0.76 0.00 0.00 175.35 175.57 1ww3 s ILE 170 N -0.96 3.34 -0.15 2.17 -1.09 -1.26 0.07 121.20 123.32 1ww3 s ILE 170 Ca 0.14 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1ww3 s ILE 170 Cb -0.10 -2.60 0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1ww3 s ILE 170 CO 0.05 0.30 -0.12 0.00 -1.23 0.00 0.00 174.94 173.94 1ww3 n GLY 172 N 4.79 0.60 2.39 0.00 0.00 -1.26 -1.14 105.19 110.57 1ww3 n GLY 172 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1ww3 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ww3 n GLY 173 N -0.91 0.93 3.84 -0.02 0.00 -1.26 -5.04 105.19 102.73 1ww3 n GLY 173 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1ww3 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ww3 s TRP 174 N -3.58 3.26 0.08 1.61 0.52 -0.29 -3.90 118.94 116.64 1ww3 s TRP 174 Ca 0.00 0.04 -0.29 0.00 0.02 0.00 0.00 56.10 55.87 1ww3 s TRP 174 Cb 0.00 -1.58 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1ww3 s TRP 174 CO 0.00 0.52 0.92 -1.14 0.02 0.00 0.00 176.95 177.27 1ww3 s GLN 175 N -3.01 4.64 -0.00 4.98 0.74 -1.26 -0.48 119.66 125.26 1ww3 s GLN 175 Ca 0.32 1.36 0.07 0.00 0.05 0.00 0.00 55.36 57.16 1ww3 s GLN 175 Cb -0.11 -3.38 -0.02 0.00 1.10 0.00 0.00 33.01 30.60 1ww3 s GLN 175 CO 0.25 0.20 -0.23 -1.64 -0.55 0.00 0.00 175.29 173.32 1ww3 s MET 176 N 0.10 1.77 -0.04 1.67 -1.94 0.11 -4.92 119.30 116.06 1ww3 s MET 176 Ca 0.45 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.59 1ww3 s MET 176 Cb -0.22 -1.76 -0.03 0.00 2.01 0.00 0.00 34.83 34.83 1ww3 s MET 176 CO 0.28 0.48 -0.02 -1.21 -0.01 0.00 0.00 175.02 174.54 1ww3 s GLU 177 N -0.68 2.82 0.00 2.03 8.01 -1.26 -1.23 118.70 128.40 1ww3 s GLU 177 Ca 0.09 -0.54 0.00 0.00 0.01 0.00 0.00 54.97 54.53 1ww3 s GLU 177 Cb -0.09 -2.68 -0.00 0.00 -4.31 0.00 0.00 34.13 27.04 1ww3 s GLU 177 CO -0.00 0.66 -0.01 -1.83 0.01 0.00 0.00 175.26 174.08 1ww3 s GLU 178 N -1.20 0.08 0.23 1.61 -1.05 -0.82 -4.99 118.70 112.57 1ww3 s GLU 178 Ca 0.16 -0.15 -0.31 0.00 -0.15 0.00 0.00 54.97 54.52 1ww3 s GLU 178 Cb -0.11 0.02 -0.14 0.00 -0.44 0.00 0.00 34.13 33.45 1ww3 s GLU 178 CO 0.06 -0.01 1.23 0.00 0.95 0.00 0.00 175.26 177.49 1ww3 n ALA 179 N 2.72 0.17 -3.15 -0.84 0.00 -1.26 -1.02 120.51 117.13 1ww3 n ALA 179 Ca -0.15 0.42 -0.45 0.00 0.00 0.00 0.00 53.44 53.27 1ww3 n ALA 179 Cb 0.59 -2.13 -0.01 0.00 0.00 0.00 0.00 19.45 17.90 1ww3 n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ww3 s ASP 180 N -0.02 7.09 -1.50 0.00 3.68 -1.26 -4.67 116.67 119.99 1ww3 s ASP 180 Ca 0.67 -3.10 -0.10 0.00 2.13 0.00 0.00 52.55 52.15 1ww3 s ASP 180 Cb -0.73 -2.30 0.00 0.00 -1.45 0.00 0.00 42.92 38.44 1ww3 s ASP 180 CO 0.53 -0.58 2.56 -0.67 0.13 0.00 0.00 175.17 177.15 1ww3 n ASP 181 N 4.38 6.93 0.12 -0.34 2.03 -1.26 -3.43 116.55 124.98 1ww3 n ASP 181 Ca 0.27 -2.79 0.10 0.00 0.52 0.00 0.00 54.79 52.90 1ww3 n ASP 181 Cb 0.43 -1.55 0.47 0.00 -0.72 0.00 0.00 41.12 39.75 1ww3 n ASP 181 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1ww3 n TRP 182 N 4.03 0.63 0.48 -0.67 4.27 -1.26 -2.33 117.44 122.59 1ww3 n TRP 182 Ca 0.65 0.29 0.12 0.00 -3.89 0.00 0.00 57.50 54.67 1ww3 n TRP 182 Cb 0.29 -0.97 0.18 0.00 -1.36 0.00 0.00 31.31 29.44 1ww3 n TRP 182 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1ww3 n LEU 183 N -2.12 3.28 -0.16 5.67 4.77 -1.26 -4.64 117.00 122.54 1ww3 n LEU 183 Ca 0.00 -1.36 -0.03 0.00 -0.03 0.00 0.00 56.01 54.59 1ww3 n LEU 183 Cb 0.11 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1ww3 n LEU 183 CO 0.13 0.67 0.73 -0.09 -1.33 0.00 0.00 177.39 177.49 1ww3 h ARG 184 N 4.40 -0.06 -0.30 3.23 2.43 -1.85 -0.71 114.38 121.52 1ww3 h ARG 184 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ww3 h ARG 184 Cb 0.97 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1ww3 h ARG 184 CO 0.00 -0.04 0.00 0.66 -1.51 0.00 0.00 179.97 179.08 1ww3 n TYR 185 N -5.39 0.39 0.00 2.20 4.01 -1.26 -5.04 117.16 112.06 1ww3 n TYR 185 Ca 0.05 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 1ww3 n TYR 185 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 1ww3 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ww3 n GLY 186 N 1.19 0.67 2.85 2.72 0.00 -0.28 -4.96 105.19 107.39 1ww3 n GLY 186 Ca 0.16 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1ww3 n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ww3 s ASN 187 N -1.27 4.18 0.32 1.61 2.47 -1.26 -4.86 114.94 116.13 1ww3 s ASN 187 Ca 0.00 -1.69 0.25 0.00 0.42 0.00 0.00 52.86 51.85 1ww3 s ASN 187 Cb 0.00 -1.14 1.11 0.00 -1.45 0.00 0.00 41.25 39.77 1ww3 s ASN 187 CO 0.00 -0.37 1.76 1.55 -3.72 0.00 0.00 177.10 176.32 1ww3 h PRO 188 N 7.93 0.00 0.10 0.43 0.13 -1.99 -3.22 132.00 135.38 1ww3 h PRO 188 Ca -0.12 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.74 1ww3 h PRO 188 Cb 1.03 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.15 1ww3 h PRO 188 CO 0.47 0.00 -1.28 -1.49 -0.23 0.00 0.00 178.00 175.47 1ww3 h TRP 189 N 0.00 0.39 -4.13 1.56 4.06 -1.95 -3.47 115.95 112.41 1ww3 h TRP 189 Ca 0.00 -0.29 -0.49 0.00 2.06 0.00 0.00 58.89 60.17 1ww3 h TRP 189 Cb 0.33 -0.02 0.03 0.00 -1.00 0.00 0.00 29.16 28.50 1ww3 h TRP 189 CO 0.00 1.25 0.33 -1.83 -3.56 0.00 0.00 178.44 174.63 1ww3 s GLU 190 N -2.65 3.77 -0.16 0.49 -1.05 -1.22 -4.37 118.70 113.51 1ww3 s GLU 190 Ca -0.04 0.75 -0.02 0.00 -0.15 0.00 0.00 54.97 55.51 1ww3 s GLU 190 Cb 0.07 -2.17 0.05 0.00 -0.44 0.00 0.00 34.13 31.64 1ww3 s GLU 190 CO 0.87 -0.33 -0.01 0.21 0.95 0.00 0.00 175.26 176.95 1ww3 s LYS 191 N -4.48 0.96 0.31 -4.83 2.47 0.39 -4.95 119.74 109.61 1ww3 s LYS 191 Ca 0.55 -0.36 -0.29 0.00 -1.56 0.00 0.00 55.97 54.31 1ww3 s LYS 191 Cb -0.10 -1.85 -0.10 0.00 -1.46 0.00 0.00 37.83 34.32 1ww3 s LYS 191 CO 0.40 -0.49 1.29 0.00 0.16 0.00 0.00 175.35 176.71 1ww3 s ALA 192 N 1.78 3.50 -0.51 3.13 0.00 -1.26 -0.85 121.76 127.55 1ww3 s ALA 192 Ca 0.01 1.21 0.07 0.00 0.00 0.00 0.00 51.96 53.25 1ww3 s ALA 192 Cb -0.15 -3.47 0.33 0.00 0.00 0.00 0.00 23.12 19.83 1ww3 s ALA 192 CO -0.07 -0.58 0.84 0.54 0.00 0.00 0.00 175.76 176.49 1ww3 n ARG 193 N 1.10 2.34 0.27 0.00 5.12 0.14 -4.91 116.66 120.71 1ww3 n ARG 193 Ca 0.01 -4.30 0.17 0.00 -1.93 0.00 0.00 57.85 51.79 1ww3 n ARG 193 Cb 0.42 -2.02 0.81 0.00 -1.16 0.00 0.00 32.46 30.51 1ww3 n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1ww3 h PRO 194 N 3.16 0.00 0.00 5.56 0.13 -1.94 -0.63 132.00 138.28 1ww3 h PRO 194 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ww3 h PRO 194 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1ww3 h PRO 194 CO 0.70 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.52 1ww3 h GLU 195 N 0.00 0.00 -0.46 0.86 9.09 -1.94 -2.91 114.58 119.22 1ww3 h GLU 195 Ca 0.06 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.46 1ww3 h GLU 195 Cb 0.74 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1ww3 h GLU 195 CO -0.00 0.00 0.00 1.19 0.05 0.00 0.00 179.01 180.25 1ww3 n PHE 196 N -2.75 1.66 -1.83 2.06 0.99 -0.24 -5.01 117.46 112.34 1ww3 n PHE 196 Ca 0.01 -0.80 -0.41 0.00 -0.00 0.00 0.00 57.45 56.25 1ww3 n PHE 196 Cb 0.28 -0.44 -0.00 0.00 -1.00 0.00 0.00 39.48 38.31 1ww3 n PHE 196 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1ww3 s THR 197 N -2.81 2.11 0.08 4.37 2.01 -1.10 -4.71 115.64 115.59 1ww3 s THR 197 Ca 0.50 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.67 1ww3 s THR 197 Cb 0.39 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 1ww3 s THR 197 CO 0.13 0.03 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.17 1ww3 s LEU 198 N -1.88 2.29 0.20 4.42 1.43 -0.40 -4.94 118.68 119.80 1ww3 s LEU 198 Ca 0.54 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.82 1ww3 s LEU 198 Cb -0.46 -0.57 -0.08 0.00 0.03 0.00 0.00 46.19 45.11 1ww3 s LEU 198 CO 0.61 -0.06 0.68 -2.16 0.23 0.00 0.00 176.35 175.64 1ww3 s PRO 199 N -1.80 4.17 -0.04 1.29 0.04 -1.26 0.50 135.00 137.90 1ww3 s PRO 199 Ca -0.00 0.76 0.04 0.00 0.04 0.00 0.00 61.00 61.84 1ww3 s PRO 199 Cb -0.10 -2.88 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 1ww3 s PRO 199 CO 0.03 0.41 -0.16 0.08 0.04 0.00 0.00 177.00 177.40 1ww3 s VAL 200 N -1.52 1.34 0.00 -0.36 1.01 0.65 -4.84 120.40 116.68 1ww3 s VAL 200 Ca 0.42 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 1ww3 s VAL 200 Cb -0.16 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1ww3 s VAL 200 CO 0.20 0.39 0.11 -1.00 0.00 0.00 0.00 175.10 174.80 1ww3 s HIS 201 N 0.09 3.34 0.05 5.22 3.76 -1.26 -1.19 115.29 125.30 1ww3 s HIS 201 Ca -0.04 0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 1ww3 s HIS 201 Cb -0.11 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 1ww3 s HIS 201 CO 0.02 0.57 -0.03 -0.06 -0.85 0.00 0.00 174.74 174.39 1ww3 s PHE 202 N -1.24 0.49 0.00 1.40 0.40 -0.46 -4.96 117.98 113.61 1ww3 s PHE 202 Ca 0.24 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 1ww3 s PHE 202 Cb -0.12 -0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.05 1ww3 s PHE 202 CO 0.16 -0.32 0.00 0.66 0.70 0.00 0.00 175.22 176.41 1ww3 n TYR 203 N 0.42 0.00 -4.23 0.36 4.01 0.29 -0.98 117.16 117.03 1ww3 n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1ww3 n TYR 203 Cb 0.60 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1ww3 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ww3 n GLY 204 N 0.00 -0.84 3.54 2.72 0.00 -1.23 -4.58 105.19 104.80 1ww3 n GLY 204 Ca 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1ww3 n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ww3 s ARG 205 N 0.00 1.41 -0.19 1.61 1.70 -0.29 -4.88 118.95 118.31 1ww3 s ARG 205 Ca 0.00 -0.93 -0.07 0.00 -0.47 0.00 0.00 55.73 54.26 1ww3 s ARG 205 Cb 0.00 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1ww3 s ARG 205 CO 0.00 -0.59 0.06 0.08 -1.08 0.00 0.00 175.30 173.77 1ww3 s VAL 206 N -3.90 4.73 -0.12 4.99 1.01 -1.26 -1.17 120.40 124.68 1ww3 s VAL 206 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1ww3 s VAL 206 Cb -0.01 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 1ww3 s VAL 206 CO -0.01 0.45 -0.10 -0.70 0.00 0.00 0.00 175.10 174.74 1ww3 s GLU 207 N 0.46 3.32 -0.38 2.72 2.12 0.13 -4.93 118.70 122.14 1ww3 s GLU 207 Ca 0.03 -0.63 -0.12 0.00 0.36 0.00 0.00 54.97 54.61 1ww3 s GLU 207 Cb -0.13 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.61 1ww3 s GLU 207 CO 0.01 0.30 0.23 -1.01 -0.54 0.00 0.00 175.26 174.25 1ww3 s HIS 208 N 0.14 3.23 0.58 5.30 3.76 -1.26 0.99 115.29 128.03 1ww3 s HIS 208 Ca -0.05 -0.77 0.08 0.00 -0.15 0.00 0.00 55.06 54.17 1ww3 s HIS 208 Cb -0.14 -2.48 0.08 0.00 1.11 0.00 0.00 32.58 31.15 1ww3 s HIS 208 CO 0.04 -0.59 0.65 0.95 -0.85 0.00 0.00 174.74 174.94 1ww3 s THR 209 N 1.61 1.82 0.18 1.30 -4.23 -0.49 -5.00 115.64 110.84 1ww3 s THR 209 Ca 0.03 -1.21 -0.20 0.00 -1.18 0.00 0.00 61.69 59.13 1ww3 s THR 209 Cb -0.19 -2.04 0.12 0.00 1.34 0.00 0.00 72.50 71.74 1ww3 s THR 209 CO 0.08 0.00 1.60 0.28 -0.54 0.00 0.00 174.62 176.03 1ww3 h SER 210 N 0.37 -1.03 -3.32 3.99 0.02 -2.02 -3.23 113.55 108.32 1ww3 h SER 210 Ca -0.32 0.21 -0.66 0.00 -0.84 0.00 0.00 61.79 60.18 1ww3 h SER 210 Cb 1.30 0.52 -0.39 0.00 0.14 0.00 0.00 62.40 63.97 1ww3 h SER 210 CO 0.47 -0.29 -0.35 -1.10 -1.14 0.00 0.00 176.83 174.42 1ww3 s GLN 211 N -6.04 2.81 0.00 3.45 1.11 -1.26 -5.05 119.66 114.68 1ww3 s GLN 211 Ca -0.14 -3.25 0.00 0.00 0.01 0.00 0.00 55.36 51.98 1ww3 s GLN 211 Cb 0.16 -3.68 0.00 0.00 -1.01 0.00 0.00 33.01 28.48 1ww3 s GLN 211 CO 0.70 -1.26 0.00 0.41 0.01 0.00 0.00 175.29 175.14 1ww3 n GLY 212 N 2.25 0.81 3.89 3.09 0.00 -1.22 -5.02 105.19 108.99 1ww3 n GLY 212 Ca 0.19 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1ww3 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww3 s ALA 213 N -2.29 3.51 -0.03 4.61 0.00 -1.26 -1.39 121.76 124.92 1ww3 s ALA 213 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.59 1ww3 s ALA 213 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.66 1ww3 s ALA 213 CO 0.00 0.17 -0.10 0.15 0.00 0.00 0.00 175.76 175.98 1ww3 s LYS 214 N -3.60 1.08 -0.44 0.00 1.02 0.28 -4.90 119.74 113.18 1ww3 s LYS 214 Ca 0.47 -0.35 -0.16 0.00 0.02 0.00 0.00 55.97 55.94 1ww3 s LYS 214 Cb -0.11 -0.99 0.04 0.00 -0.52 0.00 0.00 37.83 36.25 1ww3 s LYS 214 CO 0.30 0.14 0.41 -0.46 -0.92 0.00 0.00 175.35 174.81 1ww3 s TRP 215 N 0.15 3.19 0.42 3.18 -0.00 -1.26 0.22 118.94 124.85 1ww3 s TRP 215 Ca -0.03 -0.57 0.05 0.00 -0.00 0.00 0.00 56.10 55.55 1ww3 s TRP 215 Cb -0.09 -2.93 -0.06 0.00 -0.00 0.00 0.00 33.47 30.40 1ww3 s TRP 215 CO 0.01 -0.72 0.03 0.14 -0.00 0.00 0.00 176.95 176.40 1ww3 s VAL 216 N 1.95 1.52 -1.47 5.86 -7.23 -0.31 -4.81 120.40 115.91 1ww3 s VAL 216 Ca 0.09 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.14 1ww3 s VAL 216 Cb -0.19 -2.70 0.06 0.00 0.56 0.00 0.00 36.38 34.10 1ww3 s VAL 216 CO 0.11 0.00 1.04 0.47 -0.31 0.00 0.00 175.10 176.41 1ww3 n ASP 217 N -1.02 -5.18 -4.93 4.85 8.00 -1.26 -1.13 116.55 115.89 1ww3 n ASP 217 Ca -0.08 -0.70 -0.25 0.00 0.71 0.00 0.00 54.79 54.46 1ww3 n ASP 217 Cb 0.67 -4.28 0.01 0.00 -0.02 0.00 0.00 41.12 37.50 1ww3 n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ww3 s THR 218 N -3.32 4.43 -0.09 -3.53 -4.23 -1.26 -3.47 115.64 104.17 1ww3 s THR 218 Ca 0.61 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 1ww3 s THR 218 Cb -0.29 -3.67 -0.05 0.00 1.34 0.00 0.00 72.50 69.82 1ww3 s THR 218 CO 0.80 -0.58 0.27 -1.10 -0.54 0.00 0.00 174.62 173.47 1ww3 s GLN 219 N -4.68 3.82 -0.12 3.99 -0.21 -0.15 -4.90 119.66 117.41 1ww3 s GLN 219 Ca 0.48 0.12 -0.03 0.00 0.02 0.00 0.00 55.36 55.95 1ww3 s GLN 219 Cb -0.10 -3.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 1ww3 s GLN 219 CO 0.42 0.62 -0.02 0.08 -2.12 0.00 0.00 175.29 174.26 1ww3 s VAL 220 N -0.68 4.09 -0.05 1.09 1.01 -1.26 -1.36 120.40 123.25 1ww3 s VAL 220 Ca 0.18 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.89 1ww3 s VAL 220 Cb -0.14 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1ww3 s VAL 220 CO 0.07 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.87 1ww3 s VAL 221 N -0.23 1.32 0.18 2.92 1.01 -0.33 -4.50 120.40 120.77 1ww3 s VAL 221 Ca 0.05 -0.64 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 1ww3 s VAL 221 Cb -0.13 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1ww3 s VAL 221 CO 0.02 0.39 0.60 -0.76 0.00 0.00 0.00 175.10 175.35 1ww3 s LEU 222 N 0.17 4.31 -0.28 3.92 1.43 0.70 -0.25 118.68 128.67 1ww3 s LEU 222 Ca -0.06 1.15 -0.03 0.00 -1.03 0.00 0.00 54.13 54.16 1ww3 s LEU 222 Cb -0.12 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.72 1ww3 s LEU 222 CO 0.02 0.06 0.00 0.00 0.23 0.00 0.00 176.35 176.66 1ww3 s ALA 223 N -1.53 2.85 -0.23 4.21 0.00 0.18 -0.74 121.76 126.49 1ww3 s ALA 223 Ca 0.41 -1.58 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 1ww3 s ALA 223 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 1ww3 s ALA 223 CO 0.20 -1.03 0.12 1.41 0.00 0.00 0.00 175.76 176.45 1ww3 s MET 224 N 1.35 3.95 0.17 0.00 1.75 0.11 -1.28 119.30 125.36 1ww3 s MET 224 Ca -0.01 -0.33 -0.13 0.00 -1.25 0.00 0.00 55.69 53.96 1ww3 s MET 224 Cb -0.18 -3.42 -0.07 0.00 2.84 0.00 0.00 34.83 34.00 1ww3 s MET 224 CO -0.01 0.05 0.56 -1.25 -0.65 0.00 0.00 175.02 173.72 1ww3 s PRO 225 N 1.04 3.95 -0.12 4.11 0.04 -1.26 -0.57 135.00 142.19 1ww3 s PRO 225 Ca 0.06 0.46 0.02 0.00 0.04 0.00 0.00 61.00 61.57 1ww3 s PRO 225 Cb -0.14 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.57 1ww3 s PRO 225 CO 0.04 0.43 -0.16 0.71 0.04 0.00 0.00 177.00 178.06 1ww3 s TYR 226 N -1.56 2.10 -0.14 0.56 1.51 -0.29 -0.68 117.35 118.85 1ww3 s TYR 226 Ca 0.41 -1.04 -0.07 0.00 -1.01 0.00 0.00 57.07 55.35 1ww3 s TYR 226 Cb -0.14 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1ww3 s TYR 226 CO 0.20 -0.53 0.11 -0.51 -1.11 0.00 0.00 175.55 173.70 1ww3 s ASP 227 N 1.07 6.13 -0.06 2.29 -0.00 -0.03 -1.48 116.67 124.58 1ww3 s ASP 227 Ca -0.04 0.33 0.05 0.00 -0.00 0.00 0.00 52.55 52.88 1ww3 s ASP 227 Cb -0.15 -1.99 -0.00 0.00 -0.00 0.00 0.00 42.92 40.78 1ww3 s ASP 227 CO -0.04 0.32 -0.20 -0.89 -0.00 0.00 0.00 175.17 174.37 1ww3 s THR 228 N -0.52 1.65 0.36 -1.27 2.01 -0.26 -0.46 115.64 117.15 1ww3 s THR 228 Ca 0.12 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 1ww3 s THR 228 Cb -0.12 -1.42 -0.10 0.00 0.01 0.00 0.00 72.50 70.88 1ww3 s THR 228 CO 0.02 0.47 1.00 -2.16 -0.69 0.00 0.00 174.62 173.26 1ww3 s PRO 229 N 0.10 4.37 -0.38 4.92 0.04 -1.26 -1.35 135.00 141.44 1ww3 s PRO 229 Ca -0.07 1.43 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1ww3 s PRO 229 Cb -0.13 -2.66 0.11 0.00 0.04 0.00 0.00 34.50 31.86 1ww3 s PRO 229 CO 0.04 0.06 0.14 0.08 0.04 0.00 0.00 177.00 177.36 1ww3 s VAL 230 N -1.65 1.70 0.18 -0.36 1.01 0.30 -4.90 120.40 116.68 1ww3 s VAL 230 Ca 0.54 -2.26 -0.30 0.00 0.00 0.00 0.00 61.98 59.97 1ww3 s VAL 230 Cb -0.20 -2.24 -0.07 0.00 0.00 0.00 0.00 36.38 33.87 1ww3 s VAL 230 CO 0.26 -0.72 1.01 -2.16 0.00 0.00 0.00 175.10 173.49 1ww3 s PRO 231 N 0.81 4.70 0.71 2.72 0.04 -1.26 -0.37 135.00 142.35 1ww3 s PRO 231 Ca 0.13 1.57 -0.10 0.00 0.04 0.00 0.00 61.00 62.65 1ww3 s PRO 231 Cb -0.21 -3.31 0.04 0.00 0.04 0.00 0.00 34.50 31.06 1ww3 s PRO 231 CO -0.10 0.25 1.07 0.20 0.04 0.00 0.00 177.00 178.45 1ww3 s GLY 232 N -0.41 1.62 -0.48 0.56 0.00 0.99 -4.78 107.32 104.82 1ww3 s GLY 232 Ca 0.46 -0.58 -0.28 0.00 0.00 0.00 0.00 44.72 44.32 1ww3 s GLY 232 CO 0.33 -0.19 1.49 -0.47 0.00 0.00 0.00 173.10 174.26 1ww3 s TYR 233 N -3.32 2.23 -0.93 1.90 6.14 -1.26 -4.15 117.35 117.97 1ww3 s TYR 233 Ca 0.59 0.59 -0.09 0.00 0.64 0.00 0.00 57.07 58.79 1ww3 s TYR 233 Cb -0.11 -4.31 0.09 0.00 0.42 0.00 0.00 41.96 38.05 1ww3 s TYR 233 CO 0.49 -2.10 0.29 0.54 0.64 0.00 0.00 175.55 175.41 1ww3 n ARG 234 N 8.45 -2.36 -0.02 4.97 1.74 0.07 -4.78 116.66 124.73 1ww3 n ARG 234 Ca 0.16 0.19 0.01 0.00 -0.77 0.00 0.00 57.85 57.43 1ww3 n ARG 234 Cb 0.49 -4.77 0.02 0.00 -1.02 0.00 0.00 32.46 27.18 1ww3 n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ww3 n ASN 235 N -1.99 1.83 -1.20 0.55 2.04 -1.26 -4.95 115.26 110.28 1ww3 n ASN 235 Ca 0.02 -1.70 -0.16 0.00 -0.44 0.00 0.00 54.58 52.31 1ww3 n ASN 235 Cb 0.50 -0.03 -0.07 0.00 -2.53 0.00 0.00 39.78 37.66 1ww3 n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ww3 n ASN 236 N -0.19 -5.18 -4.79 0.53 3.02 -1.26 -0.38 115.26 107.00 1ww3 n ASN 236 Ca 0.02 0.39 -0.36 0.00 -0.03 0.00 0.00 54.58 54.59 1ww3 n ASN 236 Cb 0.20 -4.06 -0.07 0.00 -0.61 0.00 0.00 39.78 35.24 1ww3 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ww3 s VAL 237 N -2.48 5.36 -0.22 2.41 1.01 -1.26 -4.74 120.40 120.48 1ww3 s VAL 237 Ca 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 1ww3 s VAL 237 Cb 0.00 -3.53 0.07 0.00 0.00 0.00 0.00 36.38 32.92 1ww3 s VAL 237 CO 0.00 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 174.97 1ww3 s VAL 238 N -0.27 0.52 0.65 2.92 1.01 -1.26 -0.01 120.40 123.96 1ww3 s VAL 238 Ca 0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1ww3 s VAL 238 Cb -0.13 -1.12 0.13 0.00 0.00 0.00 0.00 36.38 35.27 1ww3 s VAL 238 CO 0.04 -0.32 0.89 0.59 0.00 0.00 0.00 175.10 176.29 1ww3 n ASN 239 N 5.04 1.01 -4.25 3.32 3.02 0.50 -4.67 115.26 119.23 1ww3 n ASN 239 Ca -0.08 -1.90 -0.28 0.00 -0.03 0.00 0.00 54.58 52.29 1ww3 n ASN 239 Cb 0.46 -0.59 -0.16 0.00 -0.61 0.00 0.00 39.78 38.88 1ww3 n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1ww3 s THR 240 N -2.70 1.78 -0.24 3.41 2.01 -1.26 -0.54 115.64 118.09 1ww3 s THR 240 Ca 0.57 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1ww3 s THR 240 Cb -0.03 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 71.02 1ww3 s THR 240 CO 0.38 0.50 -0.05 -0.32 -0.69 0.00 0.00 174.62 174.44 1ww3 s MET 241 N -0.53 2.98 -0.25 4.92 1.75 -0.45 -2.07 119.30 125.64 1ww3 s MET 241 Ca 0.09 -0.89 -0.07 0.00 -1.25 0.00 0.00 55.69 53.57 1ww3 s MET 241 Cb -0.09 -3.01 -0.02 0.00 2.84 0.00 0.00 34.83 34.56 1ww3 s MET 241 CO -0.01 -0.35 0.05 0.50 -0.65 0.00 0.00 175.02 174.56 1ww3 s ARG 242 N 1.37 3.49 -0.14 4.11 3.52 0.11 -1.10 118.95 130.31 1ww3 s ARG 242 Ca 0.02 -0.58 -0.01 0.00 -0.13 0.00 0.00 55.73 55.03 1ww3 s ARG 242 Cb -0.16 -3.28 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1ww3 s ARG 242 CO -0.04 -0.24 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.59 1ww3 s LEU 243 N 1.57 2.80 0.12 -0.88 1.02 -0.55 -1.84 118.68 120.92 1ww3 s LEU 243 Ca 0.06 -0.31 -0.16 0.00 0.02 0.00 0.00 54.13 53.74 1ww3 s LEU 243 Cb -0.15 -1.64 -0.07 0.00 0.02 0.00 0.00 46.19 44.35 1ww3 s LEU 243 CO 0.02 0.15 0.55 0.26 0.02 0.00 0.00 176.35 177.35 1ww3 s TRP 244 N 0.43 3.68 -0.04 0.29 0.52 -0.31 -1.14 118.94 122.37 1ww3 s TRP 244 Ca -0.09 1.13 0.06 0.00 0.02 0.00 0.00 56.10 57.22 1ww3 s TRP 244 Cb -0.16 -2.41 -0.01 0.00 -1.15 0.00 0.00 33.47 29.75 1ww3 s TRP 244 CO 0.05 0.49 -0.21 0.45 0.02 0.00 0.00 176.95 177.75 1ww3 s SER 245 N -1.49 2.53 0.08 2.95 0.15 0.26 -0.86 113.70 117.32 1ww3 s SER 245 Ca 0.34 -0.41 -0.29 0.00 0.70 0.00 0.00 55.95 56.29 1ww3 s SER 245 Cb -0.17 -0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 63.53 1ww3 s SER 245 CO 0.19 0.21 0.94 0.00 1.20 0.00 0.00 173.24 175.78 1ww3 s ALA 246 N -0.19 3.24 -0.01 5.45 0.00 -1.26 -0.71 121.76 128.28 1ww3 s ALA 246 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1ww3 s ALA 246 Cb -0.11 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.75 1ww3 s ALA 246 CO 0.02 -0.06 -0.09 0.15 0.00 0.00 0.00 175.76 175.78 1ww3 s LYS 247 N 0.22 0.74 0.27 0.00 3.01 0.08 -4.63 119.74 119.43 1ww3 s LYS 247 Ca 0.47 -0.31 -0.20 0.00 -1.01 0.00 0.00 55.97 54.92 1ww3 s LYS 247 Cb -0.22 -0.71 -0.09 0.00 -1.01 0.00 0.00 37.83 35.80 1ww3 s LYS 247 CO 0.28 0.17 0.79 0.00 0.51 0.00 0.00 175.35 177.10 1ww3 s ALA 248 N -0.13 3.33 0.57 5.17 0.00 -1.26 -0.22 121.76 129.22 1ww3 s ALA 248 Ca 0.02 0.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 1ww3 s ALA 248 Cb -0.04 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1ww3 s ALA 248 CO -0.00 0.28 1.09 -1.25 0.00 0.00 0.00 175.76 175.88 1ww3 s PRO 249 N -2.25 3.28 0.00 0.00 0.04 -1.26 -4.85 135.00 129.97 1ww3 s PRO 249 Ca 0.48 1.41 0.13 0.00 0.04 0.00 0.00 61.00 63.06 1ww3 s PRO 249 Cb -0.15 -2.01 0.61 0.00 0.04 0.00 0.00 34.50 32.98 1ww3 s PRO 249 CO 0.20 -0.87 1.37 0.09 0.04 0.00 0.00 177.00 177.84 1ww3 n ASN 250 N -1.70 0.00 -0.28 6.66 5.03 -1.26 -1.45 115.26 122.27 1ww3 n ASN 250 Ca 0.10 0.29 -0.05 0.00 0.87 0.00 0.00 54.58 55.79 1ww3 n ASN 250 Cb 0.52 -0.39 0.06 0.00 -1.02 0.00 0.00 39.78 38.95 1ww3 n ASN 250 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1ww3 h ASP 251 N 0.00 0.91 -4.61 6.41 3.45 -2.01 -3.53 116.42 117.04 1ww3 h ASP 251 Ca 0.00 -0.06 0.06 0.00 0.43 0.00 0.00 57.03 57.46 1ww3 h ASP 251 Cb 0.17 -0.23 -0.17 0.00 -0.56 0.00 0.00 39.33 38.54 1ww3 h ASP 251 CO 0.00 0.71 0.43 0.12 -1.57 0.00 0.00 179.24 178.93 1ww3 s PHE 252 N -5.98 -0.42 0.00 4.55 5.36 -0.53 -5.17 117.98 115.80 1ww3 s PHE 252 Ca -0.13 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 1ww3 s PHE 252 Cb 0.15 0.50 0.00 0.00 -0.34 0.00 0.00 43.02 43.33 1ww3 s PHE 252 CO 0.79 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 174.42 1ww3 n GLY 261 N 0.13 0.00 0.26 13.12 0.00 -1.26 -4.37 105.19 113.06 1ww3 n GLY 261 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1ww3 n GLY 261 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1ww3 h TYR 262 N 0.00 -0.58 -0.15 1.61 3.20 -2.06 -1.54 116.97 117.45 1ww3 h TYR 262 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1ww3 h TYR 262 Cb 0.00 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1ww3 h TYR 262 CO 0.00 -0.30 -0.10 0.82 -1.64 0.00 0.00 178.16 176.94 1ww3 h ILE 263 N -0.31 0.69 -0.84 1.81 1.08 -2.06 -2.25 117.51 115.63 1ww3 h ILE 263 Ca 0.08 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.62 1ww3 h ILE 263 Cb 0.43 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 1ww3 h ILE 263 CO -0.25 0.00 0.52 1.56 -0.69 0.00 0.00 178.15 179.28 1ww3 h GLN 264 N -0.10 0.91 -0.95 2.37 1.08 -1.95 -1.30 115.11 115.17 1ww3 h GLN 264 Ca 0.09 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1ww3 h GLN 264 Cb 0.24 -0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 27.42 1ww3 h GLN 264 CO -0.22 0.61 0.63 0.00 -0.95 0.00 0.00 178.83 178.90 1ww3 h ALA 265 N 1.40 1.22 -0.34 3.87 0.00 -0.74 0.22 119.26 124.89 1ww3 h ALA 265 Ca 0.37 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1ww3 h ALA 265 Cb 0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ww3 h ALA 265 CO -0.18 0.59 -0.36 0.28 0.00 0.00 0.00 179.25 179.58 1ww3 h VAL 266 N 1.28 1.28 -0.17 0.00 2.07 -0.85 -3.05 116.25 116.82 1ww3 h VAL 266 Ca 0.35 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 66.28 1ww3 h VAL 266 Cb -0.12 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1ww3 h VAL 266 CO -0.08 0.50 -0.20 -0.07 0.02 0.00 0.00 177.57 177.74 1ww3 h LEU 267 N 0.63 0.28 0.00 2.57 3.38 -0.77 -2.53 115.31 118.87 1ww3 h LEU 267 Ca 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ww3 h LEU 267 Cb 0.94 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1ww3 h LEU 267 CO 0.09 0.49 0.00 0.47 0.09 0.00 0.00 178.44 179.58 1ww3 n ASP 268 N -4.20 0.00 0.24 -0.43 8.00 0.02 -2.99 116.55 117.19 1ww3 n ASP 268 Ca -0.01 -0.80 0.08 0.00 0.71 0.00 0.00 54.79 54.77 1ww3 n ASP 268 Cb 0.33 0.00 0.60 0.00 -0.02 0.00 0.00 41.12 42.03 1ww3 n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1ww3 h ARG 269 N 0.00 0.00 0.00 -1.24 3.08 -1.48 -1.38 114.38 113.36 1ww3 h ARG 269 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ww3 h ARG 269 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ww3 h ARG 269 CO 0.00 0.11 0.00 0.09 -1.07 0.00 0.00 179.97 179.10 1ww3 n ASN 270 N -4.27 0.00 -0.05 7.04 3.02 -1.16 -1.73 115.26 118.11 1ww3 n ASN 270 Ca -0.03 0.50 -0.14 0.00 -0.03 0.00 0.00 54.58 54.88 1ww3 n ASN 270 Cb 0.19 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 1ww3 n ASN 270 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1ww3 h LEU 271 N 0.00 0.90 0.02 3.41 4.07 -1.51 -2.42 115.31 119.78 1ww3 h LEU 271 Ca 0.00 -0.51 -0.26 0.00 0.08 0.00 0.00 57.88 57.19 1ww3 h LEU 271 Cb 0.08 -0.26 0.01 0.00 1.08 0.00 0.00 40.66 41.57 1ww3 h LEU 271 CO 0.00 1.29 -1.15 0.00 -1.08 0.00 0.00 178.44 177.50 1ww3 h ALA 272 N 0.72 0.18 0.00 1.53 0.00 -1.51 -3.28 119.26 116.89 1ww3 h ALA 272 Ca -0.00 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1ww3 h ALA 272 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ww3 h ALA 272 CO 0.13 0.89 0.00 0.39 0.00 0.00 0.00 179.25 180.66 1ww3 n GLU 273 N -3.63 0.05 0.17 0.00 1.02 -1.10 -3.18 120.64 113.97 1ww3 n GLU 273 Ca -0.08 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.24 1ww3 n GLU 273 Cb 0.96 -1.50 0.59 0.00 -0.02 0.00 0.00 31.44 31.47 1ww3 n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1ww3 h ASN 274 N 0.00 0.00 -0.87 1.62 2.35 -1.49 -3.11 115.58 114.09 1ww3 h ASN 274 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 1ww3 h ASN 274 Cb 0.42 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.72 1ww3 h ASN 274 CO 0.00 0.00 0.52 0.40 -1.65 0.00 0.00 177.43 176.70 1ww3 h ILE 275 N 0.00 0.96 -0.50 2.81 2.04 -1.78 -2.24 117.51 118.80 1ww3 h ILE 275 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1ww3 h ILE 275 Cb 0.30 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1ww3 h ILE 275 CO 0.00 0.16 0.00 -1.54 0.00 0.00 0.00 178.15 176.77 1ww3 n SER 276 N -4.68 5.30 -0.03 1.72 3.41 -1.17 -4.65 113.62 113.52 1ww3 n SER 276 Ca 0.14 -2.96 -0.14 0.00 -0.26 0.00 0.00 58.87 55.64 1ww3 n SER 276 Cb 0.25 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 1ww3 n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ww3 h ARG 277 N 3.46 0.25 -3.44 4.33 9.65 -1.51 -2.28 114.38 124.85 1ww3 h ARG 277 Ca 0.00 -0.20 -0.16 0.00 -1.10 0.00 0.00 59.98 58.52 1ww3 h ARG 277 Cb 1.86 0.04 -0.23 0.00 -1.39 0.00 0.00 29.97 30.25 1ww3 h ARG 277 CO 0.43 0.84 -0.51 0.54 2.80 0.00 0.00 179.97 184.07 1ww3 s VAL 278 N -3.66 0.05 0.03 0.20 0.11 -1.26 -1.32 120.40 114.55 1ww3 s VAL 278 Ca -0.15 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.20 1ww3 s VAL 278 Cb 0.03 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1ww3 s VAL 278 CO 0.75 -0.22 0.99 -0.22 -3.33 0.00 0.00 175.10 173.07 1ww3 s LEU 279 N -0.77 4.40 -0.00 2.54 2.96 -0.91 -5.00 118.68 121.90 1ww3 s LEU 279 Ca -0.09 1.72 -0.30 0.00 -0.22 0.00 0.00 54.13 55.25 1ww3 s LEU 279 Cb -0.05 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.00 1ww3 s LEU 279 CO 0.01 -0.23 1.54 -0.31 -1.32 0.00 0.00 176.35 176.04 1ww3 s TYR 280 N 0.77 2.47 0.00 5.38 1.51 -1.26 -4.85 117.35 121.36 1ww3 s TYR 280 Ca 0.51 0.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.07 1ww3 s TYR 280 Cb -0.22 -3.82 0.00 0.00 -0.11 0.00 0.00 41.96 37.81 1ww3 s TYR 280 CO 0.29 -3.25 1.01 -0.35 -1.11 0.00 0.00 175.55 172.13 1ww3 n PRO 281 N 6.01 0.97 -3.78 -1.71 -0.04 -1.26 -4.91 135.00 130.28 1ww3 n PRO 281 Ca 0.15 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.24 1ww3 n PRO 281 Cb 0.42 -1.01 -0.06 0.00 -0.04 0.00 0.00 33.50 32.81 1ww3 n PRO 281 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ww3 s ASN 282 N 1.04 6.46 -0.20 3.54 0.01 -1.26 -4.42 114.94 120.11 1ww3 s ASN 282 Ca 0.00 0.55 0.01 0.00 -0.71 0.00 0.00 52.86 52.72 1ww3 s ASN 282 Cb 0.00 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.57 1ww3 s ASN 282 CO 0.00 0.37 -0.17 -0.62 -1.51 0.00 0.00 177.10 175.16 1ww3 s ASP 283 N -0.89 3.47 -1.26 -1.22 2.15 -1.26 -4.70 116.67 112.95 1ww3 s ASP 283 Ca 0.16 -0.78 -0.02 0.00 0.43 0.00 0.00 52.55 52.34 1ww3 s ASP 283 Cb -0.13 -1.51 0.01 0.00 -0.30 0.00 0.00 42.92 40.98 1ww3 s ASP 283 CO 0.05 -0.04 0.97 0.59 -0.17 0.00 0.00 175.17 176.57 1ww3 n ASN 284 N 4.60 -2.67 -3.65 -0.34 3.02 -1.26 -5.01 115.26 109.95 1ww3 n ASN 284 Ca -0.19 -0.66 -0.05 0.00 -0.03 0.00 0.00 54.58 53.65 1ww3 n ASN 284 Cb 0.49 -4.83 -0.07 0.00 -0.61 0.00 0.00 39.78 34.76 1ww3 n ASN 284 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ww3 s PHE 285 N -3.42 -1.09 -0.14 3.10 5.36 -1.26 -4.30 117.98 116.23 1ww3 s PHE 285 Ca 0.13 2.03 -0.19 0.00 -0.96 0.00 0.00 56.93 57.93 1ww3 s PHE 285 Cb -0.06 0.62 -0.04 0.00 -0.34 0.00 0.00 43.02 43.20 1ww3 s PHE 285 CO 0.75 -0.56 0.54 0.12 -1.46 0.00 0.00 175.22 174.62 1ww3 s PHE 286 N 2.27 3.47 -0.28 10.12 5.99 0.46 -4.86 117.98 135.14 1ww3 s PHE 286 Ca -0.07 0.92 0.03 0.00 0.00 0.00 0.00 56.93 57.81 1ww3 s PHE 286 Cb -0.09 -2.66 0.07 0.00 0.00 0.00 0.00 43.02 40.35 1ww3 s PHE 286 CO -0.18 0.04 -0.04 -2.00 -0.00 0.00 0.00 175.22 173.04 1ww3 s GLU 287 N 1.09 1.79 -1.33 10.12 2.12 -1.26 -4.96 118.70 126.27 1ww3 s GLU 287 Ca 0.28 -1.42 -0.14 0.00 0.36 0.00 0.00 54.97 54.04 1ww3 s GLU 287 Cb -0.16 -2.87 -0.02 0.00 0.26 0.00 0.00 34.13 31.34 1ww3 s GLU 287 CO 0.11 -0.71 2.29 0.41 -0.54 0.00 0.00 175.26 176.82 1ww3 n GLY 288 N 4.45 3.99 3.85 -1.50 0.00 -1.26 -4.92 105.19 109.79 1ww3 n GLY 288 Ca -0.07 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1ww3 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ww3 s LYS 289 N 3.37 3.25 0.24 1.61 -0.14 -1.26 -5.01 119.74 121.80 1ww3 s LYS 289 Ca 0.52 -0.43 -0.05 0.00 -1.36 0.00 0.00 55.97 54.65 1ww3 s LYS 289 Cb 0.15 -2.97 0.35 0.00 -1.68 0.00 0.00 37.83 33.68 1ww3 s LYS 289 CO -0.04 0.65 1.84 1.49 -0.76 0.00 0.00 175.35 178.52 1ww3 h GLU 290 N 3.78 0.88 -0.87 1.68 4.81 -2.00 -2.12 114.58 120.74 1ww3 h GLU 290 Ca -0.48 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1ww3 h GLU 290 Cb 1.18 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 30.31 1ww3 h GLU 290 CO 0.67 0.58 0.57 1.25 -0.73 0.00 0.00 179.01 181.35 1ww3 h LEU 291 N 0.91 0.92 -0.57 1.64 5.85 -1.98 -0.81 115.31 121.27 1ww3 h LEU 291 Ca 0.38 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.98 1ww3 h LEU 291 Cb 0.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1ww3 h LEU 291 CO -0.20 0.63 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.37 1ww3 h ARG 292 N 1.07 1.05 -0.68 1.25 1.12 -1.75 -1.77 114.38 114.65 1ww3 h ARG 292 Ca 0.35 -0.37 -0.06 0.00 -1.11 0.00 0.00 59.98 58.79 1ww3 h ARG 292 Cb 0.05 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 29.91 1ww3 h ARG 292 CO -0.11 1.06 0.19 1.25 -3.11 0.00 0.00 179.97 179.25 1ww3 h LEU 293 N 0.93 1.00 -0.83 3.80 5.85 -0.98 -1.45 115.31 123.63 1ww3 h LEU 293 Ca 0.15 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1ww3 h LEU 293 Cb 0.64 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1ww3 h LEU 293 CO 0.04 0.95 0.34 0.11 -0.34 0.00 0.00 178.44 179.54 1ww3 h LYS 294 N 1.02 1.20 -0.58 1.25 1.57 -0.87 -1.33 116.57 118.84 1ww3 h LYS 294 Ca 0.22 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1ww3 h LYS 294 Cb 0.32 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1ww3 h LYS 294 CO -0.00 0.96 0.23 1.96 -0.57 0.00 0.00 179.45 182.03 1ww3 h GLN 295 N 1.17 0.86 -0.58 3.15 4.20 -0.84 0.53 115.11 123.61 1ww3 h GLN 295 Ca 0.27 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1ww3 h GLN 295 Cb 0.19 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 1ww3 h GLN 295 CO -0.03 0.74 0.22 0.93 -0.67 0.00 0.00 178.83 180.02 1ww3 h GLU 296 N 0.80 0.87 -0.16 1.46 5.08 -0.89 -2.17 114.58 119.56 1ww3 h GLU 296 Ca 0.19 -0.16 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 1ww3 h GLU 296 Cb 0.20 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ww3 h GLU 296 CO -0.02 0.76 -0.72 -0.92 -1.00 0.00 0.00 179.01 177.11 1ww3 h TYR 297 N 0.80 0.93 -0.21 4.33 3.20 -1.10 -2.97 116.97 121.95 1ww3 h TYR 297 Ca 0.19 -0.40 0.06 0.00 3.14 0.00 0.00 58.73 61.72 1ww3 h TYR 297 Cb 0.22 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.27 1ww3 h TYR 297 CO 0.01 1.20 -0.21 0.35 -1.64 0.00 0.00 178.16 177.87 1ww3 h PHE 298 N 0.49 -0.55 -0.59 -3.82 3.57 -0.73 0.29 116.94 115.59 1ww3 h PHE 298 Ca -0.03 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1ww3 h PHE 298 Cb 1.33 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.32 1ww3 h PHE 298 CO 0.07 -0.29 0.02 -0.24 -2.23 0.00 0.00 178.31 175.65 1ww3 h VAL 299 N -0.23 1.26 -0.29 1.41 3.04 -1.45 -2.63 116.25 117.37 1ww3 h VAL 299 Ca 0.13 -1.10 -0.07 0.00 -1.01 0.00 0.00 66.70 64.64 1ww3 h VAL 299 Cb 0.42 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1ww3 h VAL 299 CO -0.34 0.40 -0.11 0.58 -1.01 0.00 0.00 177.57 177.08 1ww3 h VAL 300 N 0.93 1.29 -0.13 1.51 2.07 -1.25 -2.13 116.25 118.54 1ww3 h VAL 300 Ca 0.17 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1ww3 h VAL 300 Cb 0.51 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1ww3 h VAL 300 CO 0.02 0.38 0.03 0.00 0.02 0.00 0.00 177.57 178.02 1ww3 h ALA 301 N 0.76 0.17 -0.37 1.67 0.00 -0.43 -1.32 119.26 119.74 1ww3 h ALA 301 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ww3 h ALA 301 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ww3 h ALA 301 CO 0.04 -0.20 0.04 0.00 0.00 0.00 0.00 179.25 179.13 1ww3 h ALA 302 N 0.83 0.50 -0.19 0.00 0.00 -1.54 -2.96 119.26 115.89 1ww3 h ALA 302 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ww3 h ALA 302 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ww3 h ALA 302 CO 0.00 0.23 0.12 1.15 0.00 0.00 0.00 179.25 180.74 1ww3 h THR 303 N 0.46 1.08 -0.56 0.00 2.02 -1.36 -2.38 112.91 112.18 1ww3 h THR 303 Ca 0.11 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1ww3 h THR 303 Cb 0.40 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1ww3 h THR 303 CO 0.01 0.07 0.30 -0.07 0.37 0.00 0.00 175.52 176.20 1ww3 h LEU 304 N 0.23 0.69 -0.63 2.58 3.38 -1.25 0.57 115.31 120.88 1ww3 h LEU 304 Ca 0.07 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1ww3 h LEU 304 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1ww3 h LEU 304 CO -0.01 0.57 -0.02 1.56 0.09 0.00 0.00 178.44 180.63 1ww3 h GLN 305 N 0.78 1.06 -0.47 1.13 4.20 -1.36 -0.51 115.11 119.94 1ww3 h GLN 305 Ca 0.20 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 1ww3 h GLN 305 Cb 0.04 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1ww3 h GLN 305 CO -0.03 1.04 0.15 0.22 -0.67 0.00 0.00 178.83 179.54 1ww3 h ASP 306 N 0.96 0.68 -0.22 1.46 -0.00 -0.83 -0.11 116.42 118.37 1ww3 h ASP 306 Ca 0.17 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.03 56.99 1ww3 h ASP 306 Cb 0.58 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.72 1ww3 h ASP 306 CO 0.03 0.70 0.11 0.40 -0.00 0.00 0.00 179.24 180.49 1ww3 h ILE 307 N 0.63 1.13 -0.43 2.25 2.04 -0.66 -1.08 117.51 121.38 1ww3 h ILE 307 Ca 0.15 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 1ww3 h ILE 307 Cb 0.26 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1ww3 h ILE 307 CO -0.01 0.12 -0.12 0.40 0.00 0.00 0.00 178.15 178.55 1ww3 h ILE 308 N 0.23 1.26 -0.22 -0.67 2.04 -0.97 -1.24 117.51 117.94 1ww3 h ILE 308 Ca 0.08 -1.18 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1ww3 h ILE 308 Cb 0.09 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1ww3 h ILE 308 CO -0.01 0.40 0.09 -0.09 0.00 0.00 0.00 178.15 178.54 1ww3 h ARG 309 N 0.71 0.32 -0.26 2.37 2.43 -0.83 -0.87 114.38 118.25 1ww3 h ARG 309 Ca 0.12 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1ww3 h ARG 309 Cb 0.60 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1ww3 h ARG 309 CO 0.04 0.37 -0.06 -0.09 -1.51 0.00 0.00 179.97 178.71 1ww3 h ARG 310 N 0.21 0.41 -0.15 0.20 2.43 -1.05 -2.98 114.38 113.44 1ww3 h ARG 310 Ca 0.07 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1ww3 h ARG 310 Cb 0.16 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1ww3 h ARG 310 CO -0.01 0.49 -0.05 0.35 -1.51 0.00 0.00 179.97 179.24 1ww3 h PHE 311 N 0.39 0.34 0.00 2.20 3.57 -0.80 -2.41 116.94 120.23 1ww3 h PHE 311 Ca 0.08 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ww3 h PHE 311 Cb 0.36 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1ww3 h PHE 311 CO 0.01 0.59 0.00 1.63 -2.23 0.00 0.00 178.31 178.31 1ww3 n LYS 312 N -4.68 0.00 -0.07 1.11 5.02 -0.37 -0.65 118.16 118.52 1ww3 n LYS 312 Ca -0.06 0.45 -0.14 0.00 -2.02 0.00 0.00 58.31 56.55 1ww3 n LYS 312 Cb 0.27 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.64 1ww3 n LYS 312 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ww3 n SER 313 N -1.49 1.15 -0.21 4.39 7.64 -1.09 -5.11 113.62 118.89 1ww3 n SER 313 Ca 0.01 0.08 0.01 0.00 1.01 0.00 0.00 58.87 59.98 1ww3 n SER 313 Cb 0.03 0.03 0.12 0.00 -1.01 0.00 0.00 64.21 63.38 1ww3 n SER 313 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ww3 h SER 314 N 0.01 0.24 -2.69 6.43 0.87 -0.39 -3.52 113.55 114.50 1ww3 h SER 314 Ca -0.48 0.08 -0.61 0.00 -1.23 0.00 0.00 61.79 59.55 1ww3 h SER 314 Cb 2.06 0.06 -0.42 0.00 -0.44 0.00 0.00 62.40 63.66 1ww3 h SER 314 CO 0.02 0.13 -0.61 0.41 -0.53 0.00 0.00 176.83 176.25 1ww3 n THR 324 N -4.99 1.74 -2.88 2.23 -1.04 -1.26 -5.00 114.28 103.08 1ww3 n THR 324 Ca 0.10 -4.93 -0.43 0.00 -2.04 0.00 0.00 64.05 56.75 1ww3 n THR 324 Cb 0.30 -2.13 -0.05 0.00 -1.82 0.00 0.00 70.33 66.63 1ww3 n THR 324 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1ww3 s ASN 325 N -1.79 6.37 0.00 8.00 0.02 -1.26 -4.87 114.94 121.41 1ww3 s ASN 325 Ca 0.31 -0.26 0.11 0.00 -1.02 0.00 0.00 52.86 52.00 1ww3 s ASN 325 Cb 0.04 -2.42 0.65 0.00 0.02 0.00 0.00 41.25 39.54 1ww3 s ASN 325 CO -0.11 -1.11 1.22 0.49 0.02 0.00 0.00 177.10 177.61 1ww3 n PHE 326 N 7.17 0.00 0.22 2.20 3.72 -1.26 -3.14 117.46 126.38 1ww3 n PHE 326 Ca 0.02 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.48 1ww3 n PHE 326 Cb 0.48 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.52 1ww3 n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1ww3 h ASP 327 N 0.00 0.00 0.06 4.37 5.19 -1.98 -0.87 116.42 123.19 1ww3 h ASP 327 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ww3 h ASP 327 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ww3 h ASP 327 CO 0.00 0.23 -0.07 0.00 -3.12 0.00 0.00 179.24 176.28 1ww3 n ALA 328 N -2.44 2.71 -0.06 3.45 0.00 -1.19 -4.29 120.51 118.68 1ww3 n ALA 328 Ca -0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 53.44 52.93 1ww3 n ALA 328 Cb 0.29 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1ww3 n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1ww3 h PHE 329 N 1.90 -0.21 0.00 0.00 3.04 -1.36 -1.26 116.94 119.05 1ww3 h PHE 329 Ca 0.00 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1ww3 h PHE 329 Cb 0.47 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 1ww3 h PHE 329 CO 0.00 -0.15 -0.00 -1.35 -2.02 0.00 0.00 178.31 174.79 1ww3 h PRO 330 N -0.04 0.00 0.00 6.41 0.11 -1.76 0.15 132.00 136.86 1ww3 h PRO 330 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1ww3 h PRO 330 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1ww3 h PRO 330 CO -0.29 0.00 -0.28 -0.44 -0.21 0.00 0.00 178.00 176.78 1ww3 h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -1.51 -3.34 116.42 112.84 1ww3 h ASP 331 Ca -0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ww3 h ASP 331 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ww3 h ASP 331 CO 0.00 0.02 -0.24 0.29 -1.72 0.00 0.00 179.24 177.60 1ww3 n LYS 332 N -2.57 4.48 -4.01 3.56 4.76 -0.61 -4.60 118.16 119.17 1ww3 n LYS 332 Ca 0.04 -0.11 -0.15 0.00 -2.87 0.00 0.00 58.31 55.22 1ww3 n LYS 332 Cb 0.48 -0.81 -0.15 0.00 -1.84 0.00 0.00 35.03 32.71 1ww3 n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ww3 s VAL 333 N -1.41 0.23 -0.05 -0.18 1.01 0.42 -1.21 120.40 119.20 1ww3 s VAL 333 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1ww3 s VAL 333 Cb 0.04 -0.22 0.02 0.00 0.00 0.00 0.00 36.38 36.23 1ww3 s VAL 333 CO 0.21 0.08 -0.05 0.00 0.00 0.00 0.00 175.10 175.35 1ww3 s ALA 334 N 0.16 0.78 -0.21 5.51 0.00 -0.49 -4.52 121.76 122.98 1ww3 s ALA 334 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 1ww3 s ALA 334 Cb -0.04 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1ww3 s ALA 334 CO -0.00 -0.07 -0.13 0.42 0.00 0.00 0.00 175.76 175.97 1ww3 s ILE 335 N 1.04 2.47 -0.24 0.00 1.01 0.30 -0.15 121.20 125.64 1ww3 s ILE 335 Ca -0.09 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 1ww3 s ILE 335 Cb -0.14 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1ww3 s ILE 335 CO -0.01 0.36 0.10 -1.58 0.00 0.00 0.00 174.94 173.82 1ww3 s GLN 336 N 1.30 3.84 -0.36 2.79 2.00 0.03 -1.45 119.66 127.81 1ww3 s GLN 336 Ca 0.02 -0.39 -0.19 0.00 -2.00 0.00 0.00 55.36 52.80 1ww3 s GLN 336 Cb -0.15 -3.38 0.00 0.00 0.80 0.00 0.00 33.01 30.28 1ww3 s GLN 336 CO -0.08 -0.03 0.56 -0.51 -0.50 0.00 0.00 175.29 174.72 1ww3 s LEU 337 N 1.24 4.33 -0.98 3.68 1.02 0.17 -1.69 118.68 126.45 1ww3 s LEU 337 Ca 0.05 0.00 -0.22 0.00 0.02 0.00 0.00 54.13 53.99 1ww3 s LEU 337 Cb -0.14 -2.66 0.07 0.00 0.02 0.00 0.00 46.19 43.48 1ww3 s LEU 337 CO 0.04 -0.54 1.35 0.21 0.02 0.00 0.00 176.35 177.44 1ww3 s ASN 338 N 1.78 6.52 0.44 2.29 2.47 -0.88 -2.13 114.94 125.43 1ww3 s ASN 338 Ca 0.21 -1.56 0.00 0.00 0.42 0.00 0.00 52.86 51.93 1ww3 s ASN 338 Cb -0.15 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 1ww3 s ASN 338 CO 0.14 -1.41 0.00 -0.67 -3.72 0.00 0.00 177.10 171.44 1ww3 n ASP 339 N 8.29 -1.74 -0.14 -4.21 -0.08 -0.44 -4.12 116.55 114.11 1ww3 n ASP 339 Ca 0.29 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.71 1ww3 n ASP 339 Cb 0.50 0.00 0.49 0.00 2.34 0.00 0.00 41.12 44.45 1ww3 n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1ww3 n THR 340 N -0.28 0.00 -0.35 5.18 -2.24 -1.26 -4.33 114.28 111.00 1ww3 n THR 340 Ca 0.00 -0.08 0.15 0.00 -2.27 0.00 0.00 64.05 61.85 1ww3 n THR 340 Cb 0.00 0.10 0.34 0.00 -2.10 0.00 0.00 70.33 68.67 1ww3 n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1ww3 h HIS 341 N 0.71 1.05 -0.69 4.78 3.86 -1.97 0.73 115.15 123.62 1ww3 h HIS 341 Ca 0.00 0.03 -0.22 0.00 -1.16 0.00 0.00 60.37 59.02 1ww3 h HIS 341 Cb 0.43 -0.31 -0.13 0.00 1.06 0.00 0.00 27.41 28.46 1ww3 h HIS 341 CO 0.00 0.17 0.26 -0.35 0.86 0.00 0.00 177.93 178.87 1ww3 n PRO 342 N -4.81 3.36 0.29 2.45 -0.04 -1.26 -4.65 135.00 130.34 1ww3 n PRO 342 Ca 0.25 -3.08 0.18 0.00 -0.04 0.00 0.00 63.50 60.81 1ww3 n PRO 342 Cb 0.63 -2.15 0.98 0.00 -0.04 0.00 0.00 33.50 32.93 1ww3 n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ww3 h SER 343 N 2.30 0.00 0.20 3.54 4.64 -1.10 -1.53 113.55 121.60 1ww3 h SER 343 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ww3 h SER 343 Cb 2.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.35 1ww3 h SER 343 CO 0.70 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.84 1ww3 n LEU 344 N -3.46 0.00 0.07 5.97 4.77 -1.26 -2.05 117.00 121.04 1ww3 n LEU 344 Ca -0.02 0.27 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1ww3 n LEU 344 Cb 0.18 -0.27 0.41 0.00 -2.33 0.00 0.00 43.42 41.41 1ww3 n LEU 344 CO 0.23 -0.17 1.01 0.00 -1.33 0.00 0.00 177.39 177.13 1ww3 h ALA 345 N 2.54 1.60 0.75 -1.18 0.00 -1.64 -0.70 119.26 120.62 1ww3 h ALA 345 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1ww3 h ALA 345 Cb 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ww3 h ALA 345 CO 0.00 0.30 -0.36 0.82 0.00 0.00 0.00 179.25 180.02 1ww3 h ILE 346 N 0.37 0.12 0.00 0.00 2.04 -1.66 0.09 117.51 118.47 1ww3 h ILE 346 Ca 0.09 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 1ww3 h ILE 346 Cb 0.18 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1ww3 h ILE 346 CO -0.00 0.01 -0.33 1.55 0.00 0.00 0.00 178.15 179.38 1ww3 h PRO 347 N -1.19 0.00 -0.44 2.37 0.13 -1.74 -2.41 132.00 128.72 1ww3 h PRO 347 Ca -0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.90 1ww3 h PRO 347 Cb 0.79 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.91 1ww3 h PRO 347 CO 0.17 0.33 -0.24 1.49 -0.23 0.00 0.00 178.00 179.52 1ww3 h GLU 348 N 0.00 0.94 -0.56 0.86 4.57 -1.07 0.81 114.58 120.13 1ww3 h GLU 348 Ca -0.00 -0.42 -0.03 0.00 -1.18 0.00 0.00 59.36 57.72 1ww3 h GLU 348 Cb 0.74 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 1ww3 h GLU 348 CO 0.04 1.08 0.21 1.25 -1.18 0.00 0.00 179.01 180.42 1ww3 h LEU 349 N 0.78 0.78 -0.86 1.64 5.85 -0.76 -1.64 115.31 121.11 1ww3 h LEU 349 Ca 0.10 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1ww3 h LEU 349 Cb 0.81 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1ww3 h LEU 349 CO 0.07 0.74 0.46 0.24 -0.34 0.00 0.00 178.44 179.62 1ww3 h MET 350 N 0.77 1.20 -0.02 1.25 2.86 -1.20 -1.51 114.93 118.27 1ww3 h MET 350 Ca 0.18 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1ww3 h MET 350 Cb 0.22 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 1ww3 h MET 350 CO -0.01 0.88 -0.00 -0.09 1.06 0.00 0.00 176.91 178.75 1ww3 h ARG 351 N 1.19 0.01 -0.32 1.72 2.43 -0.37 0.47 114.38 119.52 1ww3 h ARG 351 Ca 0.30 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1ww3 h ARG 351 Cb 0.04 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1ww3 h ARG 351 CO -0.05 0.01 0.15 0.28 -1.51 0.00 0.00 179.97 178.85 1ww3 h VAL 352 N 0.01 1.16 -0.48 0.20 2.07 -1.12 0.26 116.25 118.35 1ww3 h VAL 352 Ca 0.01 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 1ww3 h VAL 352 Cb 0.01 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1ww3 h VAL 352 CO -0.02 0.17 -0.01 -0.07 0.02 0.00 0.00 177.57 177.66 1ww3 h LEU 353 N 0.37 0.84 0.00 2.57 3.38 -1.15 0.63 115.31 121.95 1ww3 h LEU 353 Ca 0.11 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1ww3 h LEU 353 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ww3 h LEU 353 CO -0.01 0.95 -0.04 0.58 0.09 0.00 0.00 178.44 180.00 1ww3 h VAL 354 N 0.71 1.04 -0.04 1.22 2.07 -0.86 0.50 116.25 120.89 1ww3 h VAL 354 Ca 0.13 -1.79 -0.24 0.00 0.82 0.00 0.00 66.70 65.62 1ww3 h VAL 354 Cb 0.53 1.98 0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1ww3 h VAL 354 CO 0.03 0.35 -0.94 0.44 0.02 0.00 0.00 177.57 177.47 1ww3 h ASP 355 N -1.00 0.77 0.01 0.57 3.45 -0.62 -3.04 116.42 116.57 1ww3 h ASP 355 Ca -0.01 -0.59 -0.41 0.00 0.43 0.00 0.00 57.03 56.46 1ww3 h ASP 355 Cb 0.61 -0.23 -0.06 0.00 -0.56 0.00 0.00 39.33 39.09 1ww3 h ASP 355 CO -0.01 1.38 -2.26 0.18 -1.57 0.00 0.00 179.24 176.96 1ww3 n LEU 356 N -3.84 2.14 0.05 1.55 4.77 -0.62 -4.49 117.00 116.57 1ww3 n LEU 356 Ca -0.09 0.27 0.13 0.00 -0.03 0.00 0.00 56.01 56.29 1ww3 n LEU 356 Cb 0.83 -0.88 0.36 0.00 -2.33 0.00 0.00 43.42 41.40 1ww3 n LEU 356 CO 0.53 0.59 0.67 -0.62 -1.33 0.00 0.00 177.39 177.23 1ww3 n GLU 357 N -4.09 0.17 -3.39 3.23 -0.58 0.12 -4.97 120.64 111.12 1ww3 n GLU 357 Ca -0.48 0.09 -0.20 0.00 -0.42 0.00 0.00 57.16 56.15 1ww3 n GLU 357 Cb 0.87 -1.65 0.07 0.00 -0.57 0.00 0.00 31.44 30.16 1ww3 n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ww3 n ARG 358 N -1.91 -6.59 -2.85 3.49 1.74 -0.55 -4.96 116.66 105.03 1ww3 n ARG 358 Ca 0.05 0.70 -0.29 0.00 -0.77 0.00 0.00 57.85 57.54 1ww3 n ARG 358 Cb 0.40 -5.35 -0.02 0.00 -1.02 0.00 0.00 32.46 26.46 1ww3 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ww3 s LEU 359 N -6.28 3.80 0.57 0.55 1.02 0.06 -4.98 118.68 113.42 1ww3 s LEU 359 Ca 0.48 1.05 -0.18 0.00 0.02 0.00 0.00 54.13 55.50 1ww3 s LEU 359 Cb -0.21 -3.94 -0.05 0.00 0.02 0.00 0.00 46.19 42.01 1ww3 s LEU 359 CO 0.60 -0.42 1.09 1.51 0.02 0.00 0.00 176.35 179.14 1ww3 s ASP 360 N -3.38 5.74 0.14 2.29 -4.77 -1.26 -4.44 116.67 111.00 1ww3 s ASP 360 Ca 0.50 1.99 -0.29 0.00 -3.30 0.00 0.00 52.55 51.45 1ww3 s ASP 360 Cb -0.10 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.13 1ww3 s ASP 360 CO 0.34 -1.20 1.58 -0.25 0.70 0.00 0.00 175.17 176.34 1ww3 h TRP 361 N 0.84 -1.26 -0.98 2.11 2.91 -1.97 -1.40 115.95 116.19 1ww3 h TRP 361 Ca -0.48 0.06 0.16 0.00 1.13 0.00 0.00 58.89 59.75 1ww3 h TRP 361 Cb 1.24 0.59 -0.09 0.00 -0.51 0.00 0.00 29.16 30.39 1ww3 h TRP 361 CO 0.55 -0.47 0.62 -0.44 -1.03 0.00 0.00 178.44 177.67 1ww3 h ASP 362 N -0.42 0.80 -0.18 2.65 3.45 -1.99 0.59 116.42 121.31 1ww3 h ASP 362 Ca 0.10 0.07 -0.12 0.00 0.43 0.00 0.00 57.03 57.51 1ww3 h ASP 362 Cb 0.61 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1ww3 h ASP 362 CO -0.48 0.36 -0.34 0.50 -1.57 0.00 0.00 179.24 177.71 1ww3 h LYS 363 N 0.82 0.55 -0.85 3.56 3.11 -1.81 -2.46 116.57 119.48 1ww3 h LYS 363 Ca 0.52 -0.35 0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1ww3 h LYS 363 Cb 0.75 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.97 1ww3 h LYS 363 CO -0.30 0.96 0.56 0.00 -2.81 0.00 0.00 179.45 177.86 1ww3 h ALA 364 N 0.59 1.08 -0.66 5.00 0.00 -0.30 -2.11 119.26 122.85 1ww3 h ALA 364 Ca 0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1ww3 h ALA 364 Cb 0.93 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ww3 h ALA 364 CO 0.08 0.48 0.08 2.35 0.00 0.00 0.00 179.25 182.24 1ww3 h TRP 365 N 1.15 1.19 -0.37 0.00 2.91 -0.90 -0.63 115.95 119.30 1ww3 h TRP 365 Ca 0.31 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1ww3 h TRP 365 Cb -0.13 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.18 1ww3 h TRP 365 CO -0.01 1.00 0.24 1.49 -1.03 0.00 0.00 178.44 180.13 1ww3 h GLU 366 N 1.03 0.49 -0.40 2.65 4.81 -1.02 -0.76 114.58 121.38 1ww3 h GLU 366 Ca 0.20 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1ww3 h GLU 366 Cb 0.47 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1ww3 h GLU 366 CO 0.02 0.35 0.17 0.28 -0.73 0.00 0.00 179.01 179.09 1ww3 h VAL 367 N 0.50 1.19 0.01 0.32 2.07 -1.18 -2.32 116.25 116.83 1ww3 h VAL 367 Ca 0.13 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1ww3 h VAL 367 Cb -0.03 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1ww3 h VAL 367 CO -0.03 0.21 -0.03 0.74 0.02 0.00 0.00 177.57 178.48 1ww3 h THR 368 N 0.50 0.92 -0.82 2.57 2.02 -0.78 -1.95 112.91 115.38 1ww3 h THR 368 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 1ww3 h THR 368 Cb 0.17 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1ww3 h THR 368 CO -0.01 0.00 0.51 0.58 0.37 0.00 0.00 175.52 176.97 1ww3 h VAL 369 N -0.06 1.22 0.00 3.16 2.07 -1.11 -1.82 116.25 119.71 1ww3 h VAL 369 Ca 0.01 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1ww3 h VAL 369 Cb 0.07 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1ww3 h VAL 369 CO -0.03 0.23 -0.10 0.11 0.02 0.00 0.00 177.57 177.80 1ww3 h LYS 370 N 1.12 0.00 0.00 1.57 1.57 -1.18 -2.13 116.57 117.51 1ww3 h LYS 370 Ca 0.30 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1ww3 h LYS 370 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1ww3 h LYS 370 CO -0.06 0.10 -1.93 0.25 -0.57 0.00 0.00 179.45 177.24 1ww3 n THR 371 N -3.27 0.63 -3.57 -0.16 -2.24 -0.75 -4.90 114.28 100.03 1ww3 n THR 371 Ca 0.00 -0.64 -0.36 0.00 -2.27 0.00 0.00 64.05 60.78 1ww3 n THR 371 Cb 0.34 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.24 1ww3 n THR 371 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ww3 s ALA 373 N -1.26 0.09 -0.08 0.00 0.00 -0.53 -1.82 121.76 118.15 1ww3 s ALA 373 Ca 0.29 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1ww3 s ALA 373 Cb -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 1ww3 s ALA 373 CO 0.16 -0.00 -0.23 -0.47 0.00 0.00 0.00 175.76 175.21 1ww3 s TYR 374 N -0.21 2.54 -0.20 0.00 6.14 -0.38 -0.65 117.35 124.59 1ww3 s TYR 374 Ca -0.02 -0.86 -0.03 0.00 0.64 0.00 0.00 57.07 56.81 1ww3 s TYR 374 Cb -0.02 -1.67 -0.01 0.00 0.42 0.00 0.00 41.96 40.68 1ww3 s TYR 374 CO -0.00 -0.30 -0.07 0.99 0.64 0.00 0.00 175.55 176.80 1ww3 s THR 375 N 0.11 3.24 -0.04 4.34 2.01 -0.90 -1.66 115.64 122.73 1ww3 s THR 375 Ca -0.11 -0.55 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 1ww3 s THR 375 Cb -0.16 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 1ww3 s THR 375 CO 0.06 0.46 0.39 0.21 -0.69 0.00 0.00 174.62 175.05 1ww3 s ASN 376 N 1.17 6.72 -0.04 3.53 3.84 -0.58 -1.32 114.94 128.27 1ww3 s ASN 376 Ca 0.02 0.86 0.06 0.00 0.21 0.00 0.00 52.86 54.01 1ww3 s ASN 376 Cb -0.14 -2.24 0.10 0.00 -0.55 0.00 0.00 41.25 38.42 1ww3 s ASN 376 CO -0.02 0.26 1.06 1.41 -2.79 0.00 0.00 177.10 177.01 1ww3 n HIS 377 N 2.31 0.03 -3.58 0.43 8.25 -1.26 -4.12 115.22 117.29 1ww3 n HIS 377 Ca -0.13 -0.64 -0.07 0.00 -0.26 0.00 0.00 57.72 56.62 1ww3 n HIS 377 Cb 0.52 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 1ww3 n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1ww3 s THR 378 N -1.53 0.00 -0.07 1.59 -1.32 -1.26 -4.65 115.64 108.39 1ww3 s THR 378 Ca 0.10 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.59 1ww3 s THR 378 Cb 0.09 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1ww3 s THR 378 CO 0.02 0.00 0.45 1.33 -2.21 0.00 0.00 174.62 174.20 1ww3 n VAL 379 N 0.24 0.00 -1.92 5.08 0.24 -1.26 -4.99 118.33 115.72 1ww3 n VAL 379 Ca -0.05 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1ww3 n VAL 379 Cb 0.59 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.94 1ww3 n VAL 379 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ww3 s ILE 380 N -0.20 3.27 0.28 1.34 1.01 -1.26 -4.91 121.20 120.73 1ww3 s ILE 380 Ca 0.01 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1ww3 s ILE 380 Cb 0.01 -3.32 0.27 0.00 0.01 0.00 0.00 42.46 39.42 1ww3 s ILE 380 CO 0.01 -0.03 1.78 1.55 0.00 0.00 0.00 174.94 178.25 1ww3 h PRO 381 N 9.22 0.71 0.00 2.79 0.13 -1.98 -1.66 132.00 141.22 1ww3 h PRO 381 Ca -0.42 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ww3 h PRO 381 Cb 1.20 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1ww3 h PRO 381 CO 0.94 0.47 0.00 -0.85 -0.23 0.00 0.00 178.00 178.33 1ww3 n GLU 382 N -4.79 0.21 0.00 0.86 0.00 -1.26 -2.90 120.64 112.76 1ww3 n GLU 382 Ca 0.19 0.12 0.11 0.00 0.00 0.00 0.00 57.16 57.58 1ww3 n GLU 382 Cb 0.46 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.29 1ww3 n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ww3 n ALA 383 N -1.34 3.65 -2.16 -1.84 0.00 -0.63 -0.41 120.51 117.78 1ww3 n ALA 383 Ca 0.08 -0.52 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1ww3 n ALA 383 Cb 0.18 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 1ww3 n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ww3 s LEU 384 N -3.85 4.46 -0.20 0.00 1.43 -1.14 -4.30 118.68 115.08 1ww3 s LEU 384 Ca 0.00 2.07 -0.28 0.00 -1.03 0.00 0.00 54.13 54.89 1ww3 s LEU 384 Cb 0.15 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 1ww3 s LEU 384 CO 0.87 -0.29 0.97 -1.61 0.23 0.00 0.00 176.35 176.52 1ww3 s GLU 385 N -0.01 4.29 -0.33 1.70 2.02 -1.26 -4.80 118.70 120.31 1ww3 s GLU 385 Ca 0.52 1.25 -0.01 0.00 0.02 0.00 0.00 54.97 56.75 1ww3 s GLU 385 Cb -0.29 -3.61 0.11 0.00 0.10 0.00 0.00 34.13 30.44 1ww3 s GLU 385 CO 0.34 -0.50 0.16 1.03 0.02 0.00 0.00 175.26 176.30 1ww3 s ARG 386 N 2.74 0.53 0.03 1.61 0.52 -1.26 -2.21 118.95 120.92 1ww3 s ARG 386 Ca 0.43 -1.04 -0.28 0.00 -0.52 0.00 0.00 55.73 54.31 1ww3 s ARG 386 Cb -0.16 -1.53 -0.04 0.00 0.52 0.00 0.00 34.95 33.74 1ww3 s ARG 386 CO 0.10 -1.08 0.91 -1.58 0.02 0.00 0.00 175.30 173.67 1ww3 s TRP 387 N 1.51 3.70 0.27 -0.53 0.52 -0.90 -4.71 118.94 118.81 1ww3 s TRP 387 Ca 0.13 1.64 -0.31 0.00 0.02 0.00 0.00 56.10 57.58 1ww3 s TRP 387 Cb -0.19 -3.02 -0.12 0.00 -1.15 0.00 0.00 33.47 28.99 1ww3 s TRP 387 CO -0.20 0.10 1.63 -2.14 0.02 0.00 0.00 176.95 176.37 1ww3 s PRO 388 N 0.55 4.12 0.26 4.98 0.02 -1.26 -0.44 135.00 143.24 1ww3 s PRO 388 Ca 0.47 2.59 -0.02 0.00 0.02 0.00 0.00 61.00 64.05 1ww3 s PRO 388 Cb -0.21 -3.04 0.42 0.00 0.02 0.00 0.00 34.50 31.69 1ww3 s PRO 388 CO 0.27 -0.67 1.86 0.28 -0.33 0.00 0.00 177.00 178.40 1ww3 h VAL 389 N 3.52 1.02 0.00 3.83 2.07 -1.29 -2.02 116.25 123.37 1ww3 h VAL 389 Ca -0.46 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1ww3 h VAL 389 Cb 1.21 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 1ww3 h VAL 389 CO 0.84 0.19 -0.00 1.12 0.02 0.00 0.00 177.57 179.74 1ww3 h HIS 390 N 1.04 0.00 0.01 1.57 2.07 -1.90 0.80 115.15 118.74 1ww3 h HIS 390 Ca 0.43 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.95 1ww3 h HIS 390 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 1ww3 h HIS 390 CO -0.02 0.00 -0.00 -0.07 -3.07 0.00 0.00 177.93 174.77 1ww3 h LEU 391 N 0.00 -0.01 -0.80 6.12 3.38 -1.74 -2.94 115.31 119.32 1ww3 h LEU 391 Ca -0.00 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 57.20 1ww3 h LEU 391 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1ww3 h LEU 391 CO 0.00 0.74 0.36 -0.07 0.09 0.00 0.00 178.44 179.57 1ww3 h LEU 392 N -0.77 1.06 -0.80 1.67 3.38 -1.41 -0.37 115.31 118.06 1ww3 h LEU 392 Ca -0.00 -0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.94 1ww3 h LEU 392 Cb 0.74 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 1ww3 h LEU 392 CO 0.00 0.91 0.42 -0.08 0.09 0.00 0.00 178.44 179.78 1ww3 h GLU 393 N 1.14 0.65 0.19 1.13 4.81 -0.92 0.44 114.58 122.01 1ww3 h GLU 393 Ca 0.27 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 59.15 1ww3 h GLU 393 Cb 0.15 -0.15 0.02 0.00 0.63 0.00 0.00 28.75 29.40 1ww3 h GLU 393 CO -0.03 0.43 -1.47 1.15 -0.73 0.00 0.00 179.01 178.36 1ww3 h THR 394 N 0.67 1.14 0.22 0.32 2.02 -1.29 -3.29 112.91 112.69 1ww3 h THR 394 Ca 0.41 -2.55 -0.34 0.00 0.77 0.00 0.00 66.41 64.70 1ww3 h THR 394 Cb 0.49 2.91 0.02 0.00 -1.74 0.00 0.00 68.15 69.83 1ww3 h THR 394 CO -0.30 0.79 -1.59 0.25 0.37 0.00 0.00 175.52 175.05 1ww3 h LEU 395 N -0.03 0.72 -6.00 2.58 5.85 -0.91 -3.38 115.31 114.14 1ww3 h LEU 395 Ca -0.28 -0.93 -0.55 0.00 0.84 0.00 0.00 57.88 56.96 1ww3 h LEU 395 Cb 1.99 -0.23 -0.40 0.00 0.37 0.00 0.00 40.66 42.39 1ww3 h LEU 395 CO 0.18 1.74 -1.05 0.18 -0.34 0.00 0.00 178.44 179.15 1ww3 n LEU 396 N -3.69 0.84 -0.29 2.25 4.77 0.15 -0.55 117.00 120.48 1ww3 n LEU 396 Ca -0.21 -4.87 0.13 0.00 -0.03 0.00 0.00 56.01 51.04 1ww3 n LEU 396 Cb 1.08 0.47 0.38 0.00 -2.33 0.00 0.00 43.42 43.01 1ww3 n LEU 396 CO 0.55 2.12 1.22 1.55 -1.33 0.00 0.00 177.39 181.50 1ww3 h PRO 397 N 3.81 0.66 -0.14 3.23 0.13 -1.60 -2.11 132.00 135.99 1ww3 h PRO 397 Ca 0.09 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 64.97 1ww3 h PRO 397 Cb 0.86 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1ww3 h PRO 397 CO 0.52 0.44 -0.75 -0.09 -0.23 0.00 0.00 178.00 177.89 1ww3 h ARG 398 N 0.68 0.67 -0.43 0.86 9.65 -1.91 -2.99 114.38 120.91 1ww3 h ARG 398 Ca 0.49 -0.53 -0.07 0.00 -1.10 0.00 0.00 59.98 58.76 1ww3 h ARG 398 Cb 0.83 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 1ww3 h ARG 398 CO -0.25 1.15 -0.03 0.45 2.80 0.00 0.00 179.97 184.10 1ww3 h HIS 399 N 0.46 0.76 -0.57 2.20 3.86 -1.77 -1.78 115.15 118.31 1ww3 h HIS 399 Ca -0.04 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 1ww3 h HIS 399 Cb 1.36 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.59 1ww3 h HIS 399 CO 0.07 0.73 0.18 1.25 0.86 0.00 0.00 177.93 181.03 1ww3 h LEU 400 N 0.67 0.83 -0.66 2.43 6.46 -1.39 0.09 115.31 123.73 1ww3 h LEU 400 Ca 0.13 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1ww3 h LEU 400 Cb 0.46 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.14 1ww3 h LEU 400 CO 0.02 0.81 0.37 1.56 -0.62 0.00 0.00 178.44 180.58 1ww3 h GLN 401 N 0.80 0.90 -0.56 1.25 4.20 -1.32 -0.93 115.11 119.45 1ww3 h GLN 401 Ca 0.19 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 1ww3 h GLN 401 Cb 0.27 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1ww3 h GLN 401 CO -0.01 0.67 0.05 0.82 -0.67 0.00 0.00 178.83 179.69 1ww3 h ILE 402 N 0.89 1.25 -0.55 2.54 2.04 -0.96 -2.01 117.51 120.71 1ww3 h ILE 402 Ca 0.23 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 1ww3 h ILE 402 Cb 0.02 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1ww3 h ILE 402 CO -0.04 0.37 0.05 0.40 0.00 0.00 0.00 178.15 178.93 1ww3 h ILE 403 N 0.87 1.25 -0.64 -0.67 2.04 -0.46 -0.81 117.51 119.09 1ww3 h ILE 403 Ca 0.17 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 1ww3 h ILE 403 Cb 0.44 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1ww3 h ILE 403 CO 0.02 0.36 0.06 1.88 0.00 0.00 0.00 178.15 180.47 1ww3 h TYR 404 N 0.85 1.17 -0.56 1.37 0.05 -0.84 -1.26 116.97 117.75 1ww3 h TYR 404 Ca 0.17 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 1ww3 h TYR 404 Cb 0.44 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1ww3 h TYR 404 CO 0.03 1.00 0.07 1.49 -1.05 0.00 0.00 178.16 179.70 1ww3 h GLU 405 N 1.00 0.95 -0.53 4.88 4.57 -1.03 -0.57 114.58 123.84 1ww3 h GLU 405 Ca 0.19 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1ww3 h GLU 405 Cb 0.50 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 1ww3 h GLU 405 CO 0.02 0.92 0.28 0.82 -1.18 0.00 0.00 179.01 179.87 1ww3 h ILE 406 N 0.84 1.18 -0.56 2.32 2.04 -0.98 -1.83 117.51 120.52 1ww3 h ILE 406 Ca 0.17 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1ww3 h ILE 406 Cb 0.45 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1ww3 h ILE 406 CO 0.02 0.20 0.28 -1.13 0.00 0.00 0.00 178.15 177.51 1ww3 h ASN 407 N 0.71 0.73 -0.01 1.72 -1.24 -0.94 -0.11 115.58 116.43 1ww3 h ASN 407 Ca 0.18 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 57.08 1ww3 h ASN 407 Cb 0.07 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1ww3 h ASN 407 CO -0.03 0.64 -0.03 -0.61 -1.29 0.00 0.00 177.43 176.11 1ww3 h GLN 408 N 0.76 -0.05 -0.24 6.67 4.15 -0.87 0.03 115.11 125.56 1ww3 h GLN 408 Ca 0.19 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.51 1ww3 h GLN 408 Cb 0.10 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1ww3 h GLN 408 CO -0.03 -0.04 -0.32 0.00 -1.93 0.00 0.00 178.83 176.52 1ww3 h ARG 409 N -0.06 0.49 -0.13 1.69 3.08 -1.19 -2.33 114.38 115.93 1ww3 h ARG 409 Ca 0.02 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1ww3 h ARG 409 Cb 0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1ww3 h ARG 409 CO -0.04 0.75 -0.04 0.35 -1.07 0.00 0.00 179.97 179.91 1ww3 h PHE 410 N 0.42 0.30 0.00 3.04 3.57 -0.77 -2.95 116.94 120.55 1ww3 h PHE 410 Ca 0.05 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1ww3 h PHE 410 Cb 0.77 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1ww3 h PHE 410 CO 0.03 0.57 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.48 1ww3 h LEU 411 N -0.06 0.00 -0.96 0.59 3.38 -0.94 -1.43 115.31 115.87 1ww3 h LEU 411 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1ww3 h LEU 411 Cb 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1ww3 h LEU 411 CO 0.02 0.13 -0.19 0.78 0.09 0.00 0.00 178.44 179.27 1ww3 h ASN 412 N 0.00 0.53 0.16 -0.43 -0.26 -1.26 -0.17 115.58 114.15 1ww3 h ASN 412 Ca -0.00 -0.16 -0.18 0.00 -0.56 0.00 0.00 56.30 55.40 1ww3 h ASN 412 Cb 0.30 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1ww3 h ASN 412 CO 0.02 0.73 -0.67 0.03 -1.06 0.00 0.00 177.43 176.47 1ww3 h ARG 413 N 0.48 0.47 -0.29 0.81 3.08 -1.15 -2.18 114.38 115.60 1ww3 h ARG 413 Ca 0.08 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 1ww3 h ARG 413 Cb 0.60 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1ww3 h ARG 413 CO 0.04 0.98 -0.02 0.28 -1.07 0.00 0.00 179.97 180.18 1ww3 h VAL 414 N 0.33 1.27 -0.36 2.04 2.07 -1.06 -1.99 116.25 118.55 1ww3 h VAL 414 Ca -0.02 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1ww3 h VAL 414 Cb 1.24 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1ww3 h VAL 414 CO 0.12 0.32 0.16 0.00 0.02 0.00 0.00 177.57 178.19 1ww3 h ALA 415 N 0.81 1.62 0.00 1.67 0.00 -0.98 0.15 119.26 122.54 1ww3 h ALA 415 Ca 0.08 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1ww3 h ALA 415 Cb 0.47 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ww3 h ALA 415 CO 0.02 0.31 -0.63 0.00 0.00 0.00 0.00 179.25 178.95 1ww3 h ALA 416 N 1.69 0.78 0.00 0.00 0.00 -1.16 -2.75 119.26 117.81 1ww3 h ALA 416 Ca 0.13 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 1ww3 h ALA 416 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1ww3 h ALA 416 CO -0.02 0.79 -1.38 0.00 0.00 0.00 0.00 179.25 178.64 1ww3 h ALA 417 N 1.37 0.66 -2.07 0.00 0.00 -0.69 -3.40 119.26 115.13 1ww3 h ALA 417 Ca -0.01 -1.07 -0.56 0.00 0.00 0.00 0.00 54.91 53.27 1ww3 h ALA 417 Cb 1.26 0.27 -0.40 0.00 0.00 0.00 0.00 17.79 18.91 1ww3 h ALA 417 CO 0.08 1.21 -0.94 1.19 0.00 0.00 0.00 179.25 180.79 1ww3 n PHE 418 N -3.05 1.16 -1.64 0.00 3.72 -0.02 -5.10 117.46 112.53 1ww3 n PHE 418 Ca -0.10 -3.79 -0.50 0.00 -0.05 0.00 0.00 57.45 53.00 1ww3 n PHE 418 Cb 0.93 -0.43 -0.05 0.00 -0.94 0.00 0.00 39.48 38.99 1ww3 n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1ww3 n PRO 419 N 0.99 1.54 -0.46 -1.08 -0.02 -1.04 -1.94 135.00 133.00 1ww3 n PRO 419 Ca 0.25 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1ww3 n PRO 419 Cb 0.50 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1ww3 n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ww3 n GLY 420 N 3.13 2.05 3.31 -1.23 0.00 -1.26 -4.94 105.19 106.24 1ww3 n GLY 420 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1ww3 n GLY 420 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ww3 n ASP 421 N 0.00 4.87 0.06 1.61 4.64 -0.82 -4.76 116.55 122.15 1ww3 n ASP 421 Ca 0.00 -2.95 -0.01 0.00 -1.38 0.00 0.00 54.79 50.45 1ww3 n ASP 421 Cb 0.00 -1.64 0.27 0.00 -1.04 0.00 0.00 41.12 38.70 1ww3 n ASP 421 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 1ww3 h VAL 422 N 4.78 1.25 -0.52 5.18 -1.51 -1.92 -2.59 116.25 120.92 1ww3 h VAL 422 Ca 0.42 -1.15 -0.05 0.00 -1.23 0.00 0.00 66.70 64.70 1ww3 h VAL 422 Cb 0.80 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 31.28 1ww3 h VAL 422 CO 1.49 0.36 0.14 0.44 -1.23 0.00 0.00 177.57 178.76 1ww3 h ASP 423 N 0.33 0.73 -0.68 4.19 3.32 -2.00 -2.45 116.42 119.86 1ww3 h ASP 423 Ca 0.05 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 1ww3 h ASP 423 Cb 0.59 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1ww3 h ASP 423 CO 0.04 0.71 0.19 -0.09 -1.72 0.00 0.00 179.24 178.37 1ww3 h ARG 424 N 0.76 1.06 -0.57 3.56 2.43 -1.87 -2.14 114.38 117.62 1ww3 h ARG 424 Ca 0.17 -0.24 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1ww3 h ARG 424 Cb 0.26 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1ww3 h ARG 424 CO -0.00 0.93 0.35 -0.07 -1.51 0.00 0.00 179.97 179.67 1ww3 h LEU 425 N 1.00 0.59 -0.76 3.80 3.38 -1.25 -0.85 115.31 121.22 1ww3 h LEU 425 Ca 0.22 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 1ww3 h LEU 425 Cb 0.33 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ww3 h LEU 425 CO -0.00 0.42 -0.57 0.08 0.09 0.00 0.00 178.44 178.45 1ww3 h ARG 426 N 0.71 0.15 -0.24 1.13 -0.00 -1.33 -2.15 114.38 112.65 1ww3 h ARG 426 Ca 0.22 -0.09 -0.15 0.00 -0.00 0.00 0.00 59.98 59.95 1ww3 h ARG 426 Cb -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 29.96 1ww3 h ARG 426 CO -0.08 0.68 -0.48 0.00 -0.00 0.00 0.00 179.97 180.08 1ww3 h ARG 427 N 0.11 0.63 0.00 0.08 3.08 -0.91 -3.23 114.38 114.14 1ww3 h ARG 427 Ca -0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.68 1ww3 h ARG 427 Cb 1.04 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1ww3 h ARG 427 CO 0.08 0.97 -0.44 -1.33 -1.07 0.00 0.00 179.97 178.18 1ww3 n MET 428 N -4.00 0.14 -1.66 0.04 2.81 -0.37 -4.95 117.12 109.14 1ww3 n MET 428 Ca -0.03 0.05 -0.39 0.00 -1.81 0.00 0.00 57.70 55.52 1ww3 n MET 428 Cb 0.57 -1.60 0.03 0.00 -0.71 0.00 0.00 33.22 31.52 1ww3 n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ww3 n SER 429 N -1.80 1.62 0.20 7.83 2.88 -0.81 -4.87 113.62 118.66 1ww3 n SER 429 Ca 0.05 0.95 0.10 0.00 -1.33 0.00 0.00 58.87 58.64 1ww3 n SER 429 Cb 0.38 -1.44 0.14 0.00 -0.75 0.00 0.00 64.21 62.54 1ww3 n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1ww3 h LEU 430 N 1.23 0.00 -8.97 2.46 3.38 -1.91 -3.43 115.31 108.08 1ww3 h LEU 430 Ca -0.48 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.86 1ww3 h LEU 430 Cb 1.33 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.93 1ww3 h LEU 430 CO 0.55 0.11 -0.34 -0.69 0.09 0.00 0.00 178.44 178.17 1ww3 s VAL 431 N -3.16 5.23 -0.28 1.22 1.01 -1.26 -0.56 120.40 122.60 1ww3 s VAL 431 Ca 0.06 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.37 1ww3 s VAL 431 Cb 0.06 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1ww3 s VAL 431 CO 0.69 0.21 0.19 -0.70 0.00 0.00 0.00 175.10 175.49 1ww3 s GLU 432 N 1.78 3.94 0.73 2.72 2.12 0.97 -4.97 118.70 126.00 1ww3 s GLU 432 Ca 0.13 -0.32 -0.10 0.00 0.36 0.00 0.00 54.97 55.03 1ww3 s GLU 432 Cb -0.15 -3.66 0.05 0.00 0.26 0.00 0.00 34.13 30.62 1ww3 s GLU 432 CO 0.09 -0.18 1.10 -1.21 -0.54 0.00 0.00 175.26 174.52 1ww3 s GLU 433 N 1.76 2.43 0.00 4.30 0.41 -1.26 -1.94 118.70 124.40 1ww3 s GLU 433 Ca 0.07 0.18 0.00 0.00 -0.41 0.00 0.00 54.97 54.81 1ww3 s GLU 433 Cb -0.16 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.15 1ww3 s GLU 433 CO 0.11 -1.24 0.00 0.41 -0.49 0.00 0.00 175.26 174.05 1ww3 n GLY 434 N -3.07 0.85 0.30 -1.39 0.00 -1.26 -4.90 105.19 95.72 1ww3 n GLY 434 Ca 0.07 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1ww3 n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww3 h ALA 435 N 0.00 -0.53 -4.10 4.61 0.00 -2.06 -3.39 119.26 113.79 1ww3 h ALA 435 Ca 0.00 0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.32 1ww3 h ALA 435 Cb 0.00 1.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.58 1ww3 h ALA 435 CO 0.00 -0.75 -0.86 0.14 0.00 0.00 0.00 179.25 177.78 1ww3 s VAL 436 N -4.75 1.70 0.33 0.00 -7.23 -1.26 -5.11 120.40 104.09 1ww3 s VAL 436 Ca -0.09 -0.88 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 1ww3 s VAL 436 Cb 0.06 -1.44 -0.10 0.00 0.56 0.00 0.00 36.38 35.46 1ww3 s VAL 436 CO 0.42 0.48 1.37 -0.54 -0.31 0.00 0.00 175.10 176.52 1ww3 s LYS 437 N -0.18 4.28 0.07 4.82 1.02 -1.26 -4.84 119.74 123.65 1ww3 s LYS 437 Ca -0.00 2.32 0.01 0.00 0.02 0.00 0.00 55.97 58.32 1ww3 s LYS 437 Cb -0.11 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1ww3 s LYS 437 CO 0.02 -0.30 -0.06 1.03 -0.92 0.00 0.00 175.35 175.11 1ww3 s ARG 438 N -1.72 0.69 -0.22 1.68 0.52 -0.82 -0.78 118.95 118.31 1ww3 s ARG 438 Ca 0.51 -1.12 -0.07 0.00 -0.52 0.00 0.00 55.73 54.53 1ww3 s ARG 438 Cb -0.42 -0.14 -0.03 0.00 0.52 0.00 0.00 34.95 34.88 1ww3 s ARG 438 CO 0.55 -0.02 0.05 0.42 0.02 0.00 0.00 175.30 176.32 1ww3 s ILE 439 N -2.95 4.31 -0.55 1.52 -1.09 0.42 -0.02 121.20 122.83 1ww3 s ILE 439 Ca 0.04 -0.18 -0.27 0.00 -2.23 0.00 0.00 60.65 58.01 1ww3 s ILE 439 Cb 0.01 -2.98 0.03 0.00 -1.58 0.00 0.00 42.46 37.94 1ww3 s ILE 439 CO -0.04 0.39 1.08 0.21 -1.23 0.00 0.00 174.94 175.35 1ww3 s ASN 440 N 1.14 6.43 0.45 3.58 3.84 0.27 -2.11 114.94 128.54 1ww3 s ASN 440 Ca 0.04 -0.02 0.19 0.00 0.21 0.00 0.00 52.86 53.27 1ww3 s ASN 440 Cb -0.14 -2.50 1.06 0.00 -0.55 0.00 0.00 41.25 39.12 1ww3 s ASN 440 CO 0.03 -1.34 1.96 0.24 -2.79 0.00 0.00 177.10 175.19 1ww3 h MET 441 N 9.41 0.00 -0.53 0.43 2.86 -1.76 -2.58 114.93 122.76 1ww3 h MET 441 Ca -0.25 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 1ww3 h MET 441 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1ww3 h MET 441 CO 1.14 0.22 -0.10 0.00 1.06 0.00 0.00 176.91 179.22 1ww3 h ALA 442 N 1.78 0.82 -0.56 6.32 0.00 -1.91 -0.87 119.26 124.85 1ww3 h ALA 442 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1ww3 h ALA 442 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ww3 h ALA 442 CO 0.03 0.66 -0.03 0.45 0.00 0.00 0.00 179.25 180.36 1ww3 h HIS 443 N 0.88 1.07 -0.45 0.00 3.86 -1.85 -1.90 115.15 116.76 1ww3 h HIS 443 Ca 0.14 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1ww3 h HIS 443 Cb 0.66 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 1ww3 h HIS 443 CO 0.04 0.97 0.27 1.25 0.86 0.00 0.00 177.93 181.32 1ww3 h LEU 444 N 0.89 0.54 -0.76 2.43 5.85 -1.18 -1.96 115.31 121.13 1ww3 h LEU 444 Ca 0.16 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1ww3 h LEU 444 Cb 0.56 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1ww3 h LEU 444 CO 0.03 0.44 0.38 0.00 -0.34 0.00 0.00 178.44 178.95 1ww3 h ILE 446 N 1.07 1.26 -0.65 0.00 2.04 -1.18 -2.43 117.51 117.61 1ww3 h ILE 446 Ca 0.26 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 1ww3 h ILE 446 Cb 0.10 1.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1ww3 h ILE 446 CO -0.03 0.31 0.30 0.00 0.00 0.00 0.00 178.15 178.72 1ww3 h ALA 447 N 0.84 1.29 -0.59 1.87 0.00 -1.22 -3.12 119.26 118.34 1ww3 h ALA 447 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ww3 h ALA 447 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ww3 h ALA 447 CO 0.02 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1ww3 n GLY 448 N -1.08 2.98 3.24 0.00 0.00 -0.69 -4.95 105.19 104.68 1ww3 n GLY 448 Ca 0.06 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1ww3 n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ww3 s SER 449 N -0.85 2.25 0.00 1.61 0.01 -0.92 -4.04 113.70 111.75 1ww3 s SER 449 Ca 0.54 -0.61 0.26 0.00 1.31 0.00 0.00 55.95 57.45 1ww3 s SER 449 Cb 0.40 -0.13 0.78 0.00 0.21 0.00 0.00 66.02 67.28 1ww3 s SER 449 CO 0.18 0.05 1.60 0.00 0.41 0.00 0.00 173.24 175.48 1ww3 n HIS 450 N 1.37 0.00 -3.76 2.43 1.44 -0.76 -4.85 115.22 111.09 1ww3 n HIS 450 Ca -0.19 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.39 1ww3 n HIS 450 Cb 0.54 -0.28 -0.11 0.00 0.12 0.00 0.00 29.99 30.26 1ww3 n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ww3 s ALA 451 N -2.87 -0.84 -0.06 1.59 0.00 -1.26 -4.57 121.76 113.75 1ww3 s ALA 451 Ca 0.16 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1ww3 s ALA 451 Cb 0.18 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.78 1ww3 s ALA 451 CO 0.61 -0.16 -0.06 0.08 0.00 0.00 0.00 175.76 176.22 1ww3 s VAL 452 N 0.13 0.74 0.07 0.00 1.01 0.27 -1.25 120.40 121.37 1ww3 s VAL 452 Ca -0.00 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1ww3 s VAL 452 Cb -0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1ww3 s VAL 452 CO 0.01 0.28 -0.11 0.54 0.00 0.00 0.00 175.10 175.82 1ww3 s ASN 453 N 1.09 1.34 0.57 3.32 4.22 -0.66 -0.48 114.94 124.33 1ww3 s ASN 453 Ca -0.08 -0.68 0.05 0.00 -2.14 0.00 0.00 52.86 50.01 1ww3 s ASN 453 Cb -0.14 0.00 0.07 0.00 1.28 0.00 0.00 41.25 42.46 1ww3 s ASN 453 CO -0.01 -0.19 0.78 -0.83 -2.04 0.00 0.00 177.10 174.81 1ww3 s GLY 454 N -1.99 1.81 -0.01 0.45 0.00 -0.97 -1.53 107.32 105.07 1ww3 s GLY 454 Ca -0.01 -1.77 0.12 0.00 0.00 0.00 0.00 44.72 43.05 1ww3 s GLY 454 CO 0.01 -1.39 1.28 3.33 0.00 0.00 0.00 173.10 176.33 1ww3 n VAL 455 N -2.31 1.11 -3.56 1.40 0.24 -1.26 -2.29 118.33 111.66 1ww3 n VAL 455 Ca 0.12 -1.07 -0.14 0.00 -2.04 0.00 0.00 64.34 61.21 1ww3 n VAL 455 Cb 0.60 0.44 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 1ww3 n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ww3 s ALA 456 N -1.15 -1.85 0.18 2.33 0.00 -1.26 -1.16 121.76 118.86 1ww3 s ALA 456 Ca 0.26 1.51 -0.15 0.00 0.00 0.00 0.00 51.96 53.58 1ww3 s ALA 456 Cb 0.14 -0.46 0.15 0.00 0.00 0.00 0.00 23.12 22.95 1ww3 s ALA 456 CO 0.16 -0.33 1.66 -0.09 0.00 0.00 0.00 175.76 177.15 1ww3 h ARG 457 N 3.06 0.02 -0.45 0.00 2.43 -1.90 0.32 114.38 117.86 1ww3 h ARG 457 Ca -0.24 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.87 1ww3 h ARG 457 Cb 1.15 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 1ww3 h ARG 457 CO 0.32 0.01 0.04 0.97 -1.51 0.00 0.00 179.97 179.80 1ww3 h ILE 458 N 0.02 1.22 -0.21 1.20 2.10 -1.91 -2.03 117.51 117.89 1ww3 h ILE 458 Ca 0.23 -0.86 -0.05 0.00 1.08 0.00 0.00 64.86 65.26 1ww3 h ILE 458 Cb 0.35 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 36.92 1ww3 h ILE 458 CO -0.48 0.31 -0.07 -0.74 -1.08 0.00 0.00 178.15 176.09 1ww3 h HIS 459 N 0.67 0.48 -0.28 2.19 2.76 -1.54 -1.48 115.15 117.94 1ww3 h HIS 459 Ca 0.14 -0.11 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1ww3 h HIS 459 Cb 0.36 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1ww3 h HIS 459 CO 0.02 0.68 0.05 0.77 -1.30 0.00 0.00 177.93 178.14 1ww3 h SER 460 N 0.14 0.37 -0.28 3.26 0.02 -0.77 -1.06 113.55 115.24 1ww3 h SER 460 Ca 0.05 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.77 1ww3 h SER 460 Cb 0.53 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1ww3 h SER 460 CO 0.02 0.40 -0.55 -0.33 -1.14 0.00 0.00 176.83 175.23 1ww3 h GLU 461 N 0.40 0.87 -0.69 3.45 4.39 -1.23 -2.92 114.58 118.85 1ww3 h GLU 461 Ca 0.10 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 1ww3 h GLU 461 Cb 0.20 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1ww3 h GLU 461 CO -0.00 1.19 0.40 0.82 -1.16 0.00 0.00 179.01 180.26 1ww3 h ILE 462 N 0.65 1.20 -0.87 3.13 2.04 -0.56 -1.07 117.51 122.03 1ww3 h ILE 462 Ca 0.01 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1ww3 h ILE 462 Cb 1.16 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 1ww3 h ILE 462 CO 0.12 0.21 0.45 -0.07 0.00 0.00 0.00 178.15 178.87 1ww3 h LEU 463 N 0.96 1.10 -0.30 1.44 3.38 -1.09 -0.34 115.31 120.47 1ww3 h LEU 463 Ca 0.25 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1ww3 h LEU 463 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1ww3 h LEU 463 CO -0.04 0.91 -0.68 0.11 0.09 0.00 0.00 178.44 178.82 1ww3 h LYS 464 N 1.22 0.00 0.00 1.13 1.57 -1.22 0.33 116.57 119.60 1ww3 h LYS 464 Ca 0.30 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1ww3 h LYS 464 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ww3 h LYS 464 CO -0.04 0.68 -1.22 1.63 -0.57 0.00 0.00 179.45 179.93 1ww3 n LYS 465 N -3.42 0.62 0.00 3.15 5.02 -0.46 -3.85 118.16 119.21 1ww3 n LYS 465 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1ww3 n LYS 465 Cb 0.75 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 1ww3 n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ww3 n THR 466 N -2.59 0.00 -0.30 -0.18 -2.24 -0.15 -4.76 114.28 104.05 1ww3 n THR 466 Ca -0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 1ww3 n THR 466 Cb 0.56 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 69.07 1ww3 n THR 466 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1ww3 h ILE 467 N 0.00 0.22 -0.18 2.28 6.09 -1.68 -2.11 117.51 122.12 1ww3 h ILE 467 Ca 0.00 -0.04 -0.05 0.00 -1.37 0.00 0.00 64.86 63.40 1ww3 h ILE 467 Cb 0.00 0.08 -0.03 0.00 0.47 0.00 0.00 36.82 37.35 1ww3 h ILE 467 CO 0.00 0.02 -0.08 0.49 -3.07 0.00 0.00 178.15 175.52 1ww3 n PHE 468 N -5.32 0.62 -0.17 2.19 0.99 0.10 -4.78 117.46 111.09 1ww3 n PHE 468 Ca 0.21 -1.17 -0.01 0.00 -0.00 0.00 0.00 57.45 56.48 1ww3 n PHE 468 Cb 0.70 -0.31 0.08 0.00 -1.00 0.00 0.00 39.48 38.95 1ww3 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 1ww3 h LYS 469 N 1.01 0.17 -0.86 -1.08 3.64 -1.35 -0.81 116.57 117.29 1ww3 h LYS 469 Ca 0.06 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 1ww3 h LYS 469 Cb 1.33 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 1ww3 h LYS 469 CO 0.18 0.11 0.56 -0.44 -2.27 0.00 0.00 179.45 177.59 1ww3 h ASP 470 N 0.17 0.94 -0.37 4.20 3.32 -1.86 -1.76 116.42 121.05 1ww3 h ASP 470 Ca 0.27 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.18 1ww3 h ASP 470 Cb 0.40 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1ww3 h ASP 470 CO -0.40 0.66 -0.26 -0.26 -1.72 0.00 0.00 179.24 177.25 1ww3 h PHE 471 N 1.10 1.02 -0.47 4.55 0.04 -1.76 -2.60 116.94 118.82 1ww3 h PHE 471 Ca 0.33 -0.26 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1ww3 h PHE 471 Cb -0.04 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 1ww3 h PHE 471 CO -0.02 1.04 0.08 -0.92 -0.60 0.00 0.00 178.31 177.89 1ww3 h TYR 472 N 0.75 0.75 -0.07 -0.55 3.20 -0.80 0.12 116.97 120.38 1ww3 h TYR 472 Ca 0.09 -0.07 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 1ww3 h TYR 472 Cb 0.82 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 1ww3 h TYR 472 CO 0.05 0.66 -0.40 0.93 -1.64 0.00 0.00 178.16 177.75 1ww3 h GLU 473 N 0.70 0.14 0.15 1.82 5.08 -1.10 -1.50 114.58 119.86 1ww3 h GLU 473 Ca 0.15 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 1ww3 h GLU 473 Cb 0.31 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ww3 h GLU 473 CO 0.00 0.53 -0.94 1.25 -1.00 0.00 0.00 179.01 178.85 1ww3 h LEU 474 N 0.12 0.50 -6.17 1.33 5.85 -1.07 -3.41 115.31 112.46 1ww3 h LEU 474 Ca 0.01 -0.94 -0.58 0.00 0.84 0.00 0.00 57.88 57.21 1ww3 h LEU 474 Cb 0.77 -0.16 -0.39 0.00 0.37 0.00 0.00 40.66 41.24 1ww3 h LEU 474 CO 0.06 1.45 -0.97 -0.62 -0.34 0.00 0.00 178.44 178.01 1ww3 n GLU 475 N -4.06 0.92 -0.11 1.25 1.02 -0.01 -4.97 120.64 114.68 1ww3 n GLU 475 Ca -0.15 -3.49 0.16 0.00 -0.02 0.00 0.00 57.16 53.65 1ww3 n GLU 475 Cb 0.86 -1.53 0.55 0.00 -0.02 0.00 0.00 31.44 31.30 1ww3 n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1ww3 h PRO 476 N 4.47 0.31 0.00 3.49 0.13 -1.48 -2.45 132.00 136.47 1ww3 h PRO 476 Ca 0.14 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1ww3 h PRO 476 Cb 0.85 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 1ww3 h PRO 476 CO 0.51 0.21 -0.05 1.12 -0.23 0.00 0.00 178.00 179.55 1ww3 h HIS 477 N 0.32 0.00 0.00 1.56 2.07 -1.93 -2.91 115.15 114.25 1ww3 h HIS 477 Ca 0.32 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.71 1ww3 h HIS 477 Cb 0.80 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.76 1ww3 h HIS 477 CO -0.00 0.05 -0.62 0.87 -3.07 0.00 0.00 177.93 175.16 1ww3 h LYS 478 N 0.00 0.00 -6.23 5.12 1.57 -1.68 -3.46 116.57 111.90 1ww3 h LYS 478 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1ww3 h LYS 478 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1ww3 h LYS 478 CO 0.01 0.62 0.45 -0.06 -0.57 0.00 0.00 179.45 179.90 1ww3 s PHE 479 N -3.51 3.54 0.28 -1.35 0.08 -1.10 -0.57 117.98 115.35 1ww3 s PHE 479 Ca -0.01 1.54 0.03 0.00 0.12 0.00 0.00 56.93 58.61 1ww3 s PHE 479 Cb 0.12 -3.11 -0.04 0.00 -0.57 0.00 0.00 43.02 39.42 1ww3 s PHE 479 CO 0.76 -0.15 0.18 -0.65 -0.10 0.00 0.00 175.22 175.26 1ww3 s GLN 480 N 1.69 1.52 0.02 0.44 -0.21 0.37 -4.96 119.66 118.53 1ww3 s GLN 480 Ca 0.47 -1.85 0.06 0.00 0.02 0.00 0.00 55.36 54.05 1ww3 s GLN 480 Cb -0.19 0.11 -0.02 0.00 1.00 0.00 0.00 33.01 33.92 1ww3 s GLN 480 CO 0.19 -0.48 -0.17 1.21 -2.12 0.00 0.00 175.29 173.92 1ww3 s ASN 481 N -3.31 2.05 -0.37 5.90 3.84 -1.26 -2.30 114.94 119.48 1ww3 s ASN 481 Ca 0.38 -0.42 0.03 0.00 0.21 0.00 0.00 52.86 53.05 1ww3 s ASN 481 Cb 0.05 -0.18 0.15 0.00 -0.55 0.00 0.00 41.25 40.72 1ww3 s ASN 481 CO 0.18 0.14 0.34 -0.54 -2.79 0.00 0.00 177.10 174.44 1ww3 s LYS 482 N -0.87 0.64 0.25 0.43 -0.14 -0.97 -4.92 119.74 114.15 1ww3 s LYS 482 Ca 0.05 -1.00 -0.31 0.00 -1.36 0.00 0.00 55.97 53.35 1ww3 s LYS 482 Cb -0.08 -0.86 -0.12 0.00 -1.68 0.00 0.00 37.83 35.10 1ww3 s LYS 482 CO 0.01 -1.21 1.66 0.99 -0.76 0.00 0.00 175.35 176.04 1ww3 s THR 483 N 1.30 2.04 1.16 2.17 2.01 -1.26 -4.30 115.64 118.77 1ww3 s THR 483 Ca 0.18 0.03 -0.14 0.00 0.31 0.00 0.00 61.69 62.07 1ww3 s THR 483 Cb -0.17 -3.02 0.24 0.00 0.01 0.00 0.00 72.50 69.56 1ww3 s THR 483 CO -0.02 0.00 0.76 0.59 -0.69 0.00 0.00 174.62 175.26 1ww3 n ASN 484 N 3.15 -1.89 -3.42 3.53 5.03 -0.31 -4.66 115.26 116.69 1ww3 n ASN 484 Ca 0.12 -0.14 -0.09 0.00 0.87 0.00 0.00 54.58 55.34 1ww3 n ASN 484 Cb 0.36 -1.19 -0.01 0.00 -1.02 0.00 0.00 39.78 37.93 1ww3 n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1ww3 s GLY 485 N -2.26 0.37 0.09 7.41 0.00 -1.26 -4.82 107.32 106.85 1ww3 s GLY 485 Ca 0.65 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.71 1ww3 s GLY 485 CO 0.65 -0.36 -0.12 -0.26 0.00 0.00 0.00 173.10 173.02 1ww3 s ILE 486 N -3.16 1.05 -0.08 0.90 -4.36 -0.07 -4.50 121.20 110.98 1ww3 s ILE 486 Ca 0.17 -1.54 -0.29 0.00 -0.26 0.00 0.00 60.65 58.73 1ww3 s ILE 486 Cb -0.04 -1.28 -0.02 0.00 1.25 0.00 0.00 42.46 42.37 1ww3 s ILE 486 CO 0.11 -0.43 0.97 0.28 0.24 0.00 0.00 174.94 176.11 1ww3 s THR 487 N -2.01 4.82 -0.93 8.37 -1.32 -1.26 -0.93 115.64 122.38 1ww3 s THR 487 Ca 0.03 1.99 0.16 0.00 -1.21 0.00 0.00 61.69 62.66 1ww3 s THR 487 Cb -0.06 -4.29 0.14 0.00 -1.51 0.00 0.00 72.50 66.78 1ww3 s THR 487 CO 0.01 0.05 1.50 -0.81 -2.21 0.00 0.00 174.62 173.16 1ww3 n PRO 488 N 4.71 0.03 0.12 7.08 -0.04 -1.26 -1.76 135.00 143.87 1ww3 n PRO 488 Ca 0.07 0.28 -0.05 0.00 -0.04 0.00 0.00 63.50 63.76 1ww3 n PRO 488 Cb 0.49 -1.55 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1ww3 n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ww3 h ARG 489 N 0.00 -0.32 -0.49 0.54 -0.00 -1.91 -2.54 114.38 109.65 1ww3 h ARG 489 Ca 0.00 0.02 -0.08 0.00 -0.50 0.00 0.00 59.98 59.42 1ww3 h ARG 489 Cb 0.26 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.29 1ww3 h ARG 489 CO 0.00 -0.22 -0.02 -0.09 0.00 0.00 0.00 179.97 179.65 1ww3 h ARG 490 N -0.67 0.88 -0.23 0.04 2.43 -1.97 0.16 114.38 115.02 1ww3 h ARG 490 Ca -0.03 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.84 1ww3 h ARG 490 Cb 0.26 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1ww3 h ARG 490 CO 0.06 0.93 0.00 0.91 -1.51 0.00 0.00 179.97 180.35 1ww3 n TRP 491 N -4.31 0.28 0.00 2.20 7.02 -0.72 -2.78 117.44 119.13 1ww3 n TRP 491 Ca 0.01 -0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.35 1ww3 n TRP 491 Cb 0.33 -0.01 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 1ww3 n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1ww3 n LEU 492 N 0.09 0.00 -0.04 -0.99 7.94 -0.99 -4.80 117.00 118.22 1ww3 n LEU 492 Ca 0.07 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.88 1ww3 n LEU 492 Cb 0.18 0.13 -0.03 0.00 0.53 0.00 0.00 43.42 44.24 1ww3 n LEU 492 CO 0.05 -0.49 0.84 0.58 -1.11 0.00 0.00 177.39 177.25 1ww3 h VAL 493 N 0.00 0.81 0.21 1.96 2.07 -1.26 0.34 116.25 120.39 1ww3 h VAL 493 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1ww3 h VAL 493 Cb 0.00 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ww3 h VAL 493 CO 0.00 0.00 -0.10 0.25 0.02 0.00 0.00 177.57 177.74 1ww3 h LEU 494 N 0.02 -0.24 0.00 2.57 6.46 -1.10 -3.19 115.31 119.83 1ww3 h LEU 494 Ca 0.10 -0.26 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1ww3 h LEU 494 Cb 0.14 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1ww3 h LEU 494 CO -0.20 0.17 -0.37 0.00 -0.62 0.00 0.00 178.44 177.42 1ww3 n ASN 496 N -2.68 0.84 -0.12 0.00 2.85 0.12 -4.86 115.26 111.41 1ww3 n ASN 496 Ca 0.03 -2.91 0.05 0.00 -0.11 0.00 0.00 54.58 51.64 1ww3 n ASN 496 Cb 0.50 -0.63 0.36 0.00 1.24 0.00 0.00 39.78 41.26 1ww3 n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ww3 h PRO 497 N 3.56 0.70 -0.63 1.20 0.13 -1.64 -2.17 132.00 133.16 1ww3 h PRO 497 Ca 0.09 -0.04 0.05 0.00 -0.87 0.00 0.00 66.00 65.23 1ww3 h PRO 497 Cb 0.89 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 1ww3 h PRO 497 CO 0.51 0.46 0.35 0.78 -0.23 0.00 0.00 178.00 179.88 1ww3 h GLY 498 N 0.72 0.91 1.15 1.56 0.00 -1.91 -0.16 103.07 105.35 1ww3 h GLY 498 Ca 0.25 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1ww3 h GLY 498 CO -0.07 0.16 -0.77 -2.00 0.00 0.00 0.00 176.54 173.86 1ww3 h LEU 499 N 0.66 0.93 -1.59 3.11 5.85 -1.82 -2.75 115.31 119.69 1ww3 h LEU 499 Ca 0.28 -0.64 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1ww3 h LEU 499 Cb 0.15 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1ww3 h LEU 499 CO -0.17 1.41 0.20 0.00 -0.34 0.00 0.00 178.44 179.55 1ww3 h ALA 500 N 0.53 1.69 0.07 1.25 0.00 -1.10 -2.02 119.26 119.69 1ww3 h ALA 500 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ww3 h ALA 500 Cb 1.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1ww3 h ALA 500 CO 0.16 0.27 -0.03 1.49 0.00 0.00 0.00 179.25 181.14 1ww3 h GLU 501 N 0.49 -0.09 0.00 0.00 4.57 -0.94 -0.76 114.58 117.85 1ww3 h GLU 501 Ca 0.13 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1ww3 h GLU 501 Cb -0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1ww3 h GLU 501 CO -0.02 0.36 -0.18 -0.84 -1.18 0.00 0.00 179.01 177.16 1ww3 h ILE 502 N -0.58 0.93 -0.07 2.32 3.07 -1.36 -0.56 117.51 121.26 1ww3 h ILE 502 Ca -0.01 -0.65 -0.13 0.00 1.55 0.00 0.00 64.86 65.62 1ww3 h ILE 502 Cb 0.50 1.37 0.01 0.00 -0.27 0.00 0.00 36.82 38.42 1ww3 h ILE 502 CO 0.02 0.17 -0.48 0.40 -1.05 0.00 0.00 178.15 177.21 1ww3 h ILE 503 N 0.00 1.40 -0.75 0.16 2.04 -1.33 -3.22 117.51 115.80 1ww3 h ILE 503 Ca -0.00 -1.86 0.01 0.00 1.00 0.00 0.00 64.86 64.00 1ww3 h ILE 503 Cb 0.35 2.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.72 1ww3 h ILE 503 CO 0.02 0.55 0.49 0.00 0.00 0.00 0.00 178.15 179.21 1ww3 h ALA 504 N 0.43 1.45 -0.83 1.87 0.00 -0.53 -1.63 119.26 120.03 1ww3 h ALA 504 Ca -0.04 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1ww3 h ALA 504 Cb 1.14 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1ww3 h ALA 504 CO 0.10 0.50 0.54 0.93 0.00 0.00 0.00 179.25 181.32 1ww3 h GLU 505 N 1.02 0.70 0.11 0.00 5.08 -1.13 0.28 114.58 120.65 1ww3 h GLU 505 Ca 0.27 -0.04 -0.36 0.00 -1.00 0.00 0.00 59.36 58.23 1ww3 h GLU 505 Cb -0.11 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1ww3 h GLU 505 CO -0.06 0.46 -2.00 0.54 -1.00 0.00 0.00 179.01 176.95 1ww3 n ARG 506 N -4.52 0.75 0.00 2.33 5.12 -0.86 -4.65 116.66 114.82 1ww3 n ARG 506 Ca 0.15 0.26 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 1ww3 n ARG 506 Cb 0.37 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 1ww3 n ARG 506 CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 1ww3 n ILE 507 N -3.45 0.74 -0.69 0.55 -5.35 -0.67 -5.13 119.36 105.37 1ww3 n ILE 507 Ca -0.32 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.31 1ww3 n ILE 507 Cb 1.05 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.59 1ww3 n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ww3 n GLY 508 N -0.37 -2.85 0.46 3.28 0.00 0.99 -4.64 105.19 102.07 1ww3 n GLY 508 Ca 0.00 -1.80 0.11 0.00 0.00 0.00 0.00 46.02 44.33 1ww3 n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ww3 n GLU 509 N -0.33 1.14 0.15 1.61 1.02 -1.26 -4.15 120.64 118.82 1ww3 n GLU 509 Ca 0.00 -0.93 0.17 0.00 -0.02 0.00 0.00 57.16 56.38 1ww3 n GLU 509 Cb 0.00 -1.48 0.77 0.00 -0.02 0.00 0.00 31.44 30.70 1ww3 n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ww3 h GLU 510 N 2.28 0.00 0.00 3.49 4.39 -1.96 -2.55 114.58 120.23 1ww3 h GLU 510 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1ww3 h GLU 510 Cb 0.74 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1ww3 h GLU 510 CO 0.00 0.00 -0.08 0.10 -1.16 0.00 0.00 179.01 177.87 1ww3 h TYR 511 N 0.00 0.00 -0.04 4.33 -0.00 -1.80 -2.94 116.97 116.52 1ww3 h TYR 511 Ca 0.13 0.00 0.01 0.00 -0.00 0.00 0.00 58.73 58.87 1ww3 h TYR 511 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.36 1ww3 h TYR 511 CO 0.00 0.08 0.05 0.82 -0.00 0.00 0.00 178.16 179.11 1ww3 h ILE 512 N 0.00 0.57 0.00 -0.90 2.04 -1.81 -1.37 117.51 116.04 1ww3 h ILE 512 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ww3 h ILE 512 Cb 0.33 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1ww3 h ILE 512 CO 0.01 0.00 -0.06 -1.54 0.00 0.00 0.00 178.15 176.56 1ww3 n SER 513 N -3.93 1.92 -2.74 1.72 3.41 -1.12 -4.68 113.62 108.20 1ww3 n SER 513 Ca -0.02 -2.69 -0.07 0.00 -0.26 0.00 0.00 58.87 55.83 1ww3 n SER 513 Cb 0.14 -0.31 0.05 0.00 -0.26 0.00 0.00 64.21 63.83 1ww3 n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1ww3 n ASP 514 N -1.05 -2.85 0.31 4.04 4.64 -0.63 -5.03 116.55 115.98 1ww3 n ASP 514 Ca 0.11 -3.15 0.20 0.00 -1.38 0.00 0.00 54.79 50.56 1ww3 n ASP 514 Cb 0.57 1.75 1.05 0.00 -1.04 0.00 0.00 41.12 43.45 1ww3 n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1ww3 h LEU 515 N 4.05 0.00 -2.39 -2.67 5.85 -1.58 -2.14 115.31 116.44 1ww3 h LEU 515 Ca -0.13 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1ww3 h LEU 515 Cb 1.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1ww3 h LEU 515 CO 0.26 0.00 0.11 0.44 -0.34 0.00 0.00 178.44 178.91 1ww3 h ASP 516 N 0.00 0.00 0.26 1.25 3.32 -1.85 -0.73 116.42 118.66 1ww3 h ASP 516 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ww3 h ASP 516 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ww3 h ASP 516 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1ww3 n GLN 517 N -3.71 0.11 0.27 3.56 6.02 -0.80 -1.94 117.38 120.88 1ww3 n GLN 517 Ca -0.01 0.51 0.18 0.00 -0.01 0.00 0.00 57.00 57.67 1ww3 n GLN 517 Cb 0.21 -1.79 0.93 0.00 1.02 0.00 0.00 30.24 30.60 1ww3 n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1ww3 h LEU 518 N 0.00 0.00 -2.19 1.08 3.38 -1.37 -1.65 115.31 114.57 1ww3 h LEU 518 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ww3 h LEU 518 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ww3 h LEU 518 CO 0.00 0.00 0.05 0.03 0.09 0.00 0.00 178.44 178.61 1ww3 h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.99 -0.62 114.38 116.98 1ww3 h ARG 519 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ww3 h ARG 519 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1ww3 h ARG 519 CO 0.00 0.00 -0.00 0.87 -1.07 0.00 0.00 179.97 179.77 1ww3 h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.55 -0.74 116.57 115.90 1ww3 h LYS 520 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ww3 h LYS 520 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1ww3 h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1ww3 n LEU 521 N -3.15 0.48 0.25 2.94 4.77 -0.24 -2.72 117.00 119.33 1ww3 n LEU 521 Ca -0.03 0.63 0.07 0.00 -0.03 0.00 0.00 56.01 56.65 1ww3 n LEU 521 Cb 0.08 -0.57 0.60 0.00 -2.33 0.00 0.00 43.42 41.20 1ww3 n LEU 521 CO 0.21 -0.51 1.01 -0.07 -1.33 0.00 0.00 177.39 176.70 1ww3 h LEU 522 N 0.00 0.00 -0.00 2.23 4.07 -1.31 -1.31 115.31 118.99 1ww3 h LEU 522 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ww3 h LEU 522 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1ww3 h LEU 522 CO 0.00 0.07 0.00 -1.54 -1.08 0.00 0.00 178.44 175.89 1ww3 n SER 523 N -4.43 0.00 -0.06 -0.43 3.41 -1.10 -2.82 113.62 108.19 1ww3 n SER 523 Ca -0.03 -1.87 0.01 0.00 -0.26 0.00 0.00 58.87 56.72 1ww3 n SER 523 Cb 0.15 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1ww3 n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ww3 n TYR 524 N -0.56 0.02 0.32 7.33 4.01 -0.49 -4.70 117.16 123.09 1ww3 n TYR 524 Ca 0.03 -0.19 0.20 0.00 -0.16 0.00 0.00 57.90 57.78 1ww3 n TYR 524 Cb 0.01 -0.02 1.08 0.00 -0.31 0.00 0.00 39.34 40.11 1ww3 n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 1ww3 h VAL 525 N 0.25 0.17 -0.26 -0.72 3.04 -1.57 -0.24 116.25 116.92 1ww3 h VAL 525 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1ww3 h VAL 525 Cb 0.23 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1ww3 h VAL 525 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1ww3 n ASP 526 N -3.32 2.69 -4.59 3.17 10.43 -1.26 -4.88 116.55 118.79 1ww3 n ASP 526 Ca -0.03 -1.99 -0.43 0.00 2.57 0.00 0.00 54.79 54.92 1ww3 n ASP 526 Cb 0.12 -0.17 -0.03 0.00 1.84 0.00 0.00 41.12 42.88 1ww3 n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1ww3 s ASP 527 N -1.00 6.60 0.38 -2.24 3.68 -0.10 -4.92 116.67 119.07 1ww3 s ASP 527 Ca 0.17 0.37 0.08 0.00 2.13 0.00 0.00 52.55 55.30 1ww3 s ASP 527 Cb 0.09 -2.49 0.81 0.00 -1.45 0.00 0.00 42.92 39.89 1ww3 s ASP 527 CO 0.12 -1.06 1.96 -0.08 0.13 0.00 0.00 175.17 176.24 1ww3 h GLU 528 N 8.94 0.65 -0.14 4.34 4.57 -1.92 -1.21 114.58 129.81 1ww3 h GLU 528 Ca -0.23 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 57.87 1ww3 h GLU 528 Cb 1.07 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1ww3 h GLU 528 CO 1.05 0.43 -0.06 0.00 -1.18 0.00 0.00 179.01 179.25 1ww3 h ALA 529 N 1.63 0.19 -0.42 2.92 0.00 -1.95 -2.48 119.26 119.16 1ww3 h ALA 529 Ca 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ww3 h ALA 529 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ww3 h ALA 529 CO -0.10 -0.02 0.18 0.35 0.00 0.00 0.00 179.25 179.65 1ww3 h PHE 530 N -0.05 0.63 -0.64 0.00 -0.00 -1.78 -0.91 116.94 114.19 1ww3 h PHE 530 Ca 0.03 -0.04 0.10 0.00 -0.00 0.00 0.00 57.97 58.06 1ww3 h PHE 530 Cb 0.51 -0.19 -0.07 0.00 -0.00 0.00 0.00 35.95 36.20 1ww3 h PHE 530 CO 0.06 0.54 0.25 0.82 -0.00 0.00 0.00 178.31 179.98 1ww3 h ILE 531 N 0.53 0.77 -0.68 1.41 2.04 -1.24 0.16 117.51 120.50 1ww3 h ILE 531 Ca 0.14 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1ww3 h ILE 531 Cb 0.17 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1ww3 h ILE 531 CO -0.01 0.08 0.13 -0.09 0.00 0.00 0.00 178.15 178.26 1ww3 h ARG 532 N 0.44 1.10 -0.34 2.37 2.43 -1.00 -2.30 114.38 117.08 1ww3 h ARG 532 Ca 0.32 -0.28 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 1ww3 h ARG 532 Cb 0.40 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1ww3 h ARG 532 CO -0.31 1.00 -0.24 -0.44 -1.51 0.00 0.00 179.97 178.46 1ww3 h ASP 533 N 1.03 0.80 -0.25 -3.80 3.32 -0.09 -1.07 116.42 116.35 1ww3 h ASP 533 Ca 0.21 -0.44 0.01 0.00 0.02 0.00 0.00 57.03 56.83 1ww3 h ASP 533 Cb 0.41 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1ww3 h ASP 533 CO 0.01 1.06 0.14 0.58 -1.72 0.00 0.00 179.24 179.31 1ww3 h VAL 534 N 0.53 1.02 -0.18 -1.35 2.07 -0.64 -1.21 116.25 116.49 1ww3 h VAL 534 Ca 0.07 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1ww3 h VAL 534 Cb 0.80 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ww3 h VAL 534 CO 0.06 0.05 -0.20 0.00 0.02 0.00 0.00 177.57 177.51 1ww3 h ALA 535 N 1.12 1.33 -0.36 1.67 0.00 -1.37 -2.60 119.26 119.04 1ww3 h ALA 535 Ca 0.10 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1ww3 h ALA 535 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ww3 h ALA 535 CO -0.05 0.45 -0.11 -0.22 0.00 0.00 0.00 179.25 179.32 1ww3 h LYS 536 N 0.29 0.70 -0.59 0.00 3.64 -0.70 -1.81 116.57 118.11 1ww3 h LYS 536 Ca 0.05 -0.28 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1ww3 h LYS 536 Cb 0.52 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1ww3 h LYS 536 CO 0.03 0.87 0.31 0.28 -2.27 0.00 0.00 179.45 178.67 1ww3 h VAL 537 N 0.49 1.20 -0.51 2.00 2.07 -1.07 -0.78 116.25 119.64 1ww3 h VAL 537 Ca 0.09 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1ww3 h VAL 537 Cb 0.62 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 1ww3 h VAL 537 CO 0.04 0.22 0.28 0.50 0.02 0.00 0.00 177.57 178.63 1ww3 h LYS 538 N 0.80 0.71 -0.76 1.57 1.63 -1.38 -0.86 116.57 118.27 1ww3 h LYS 538 Ca 0.21 -0.08 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 1ww3 h LYS 538 Cb 0.07 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 1ww3 h LYS 538 CO -0.03 0.56 0.32 0.37 -3.45 0.00 0.00 179.45 177.21 1ww3 h GLN 539 N 0.68 1.13 -0.63 1.90 5.75 -0.97 -1.05 115.11 121.92 1ww3 h GLN 539 Ca 0.18 -0.19 -0.09 0.00 -0.15 0.00 0.00 58.65 58.40 1ww3 h GLN 539 Cb 0.05 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1ww3 h GLN 539 CO -0.03 0.91 0.04 0.93 -2.65 0.00 0.00 178.83 178.02 1ww3 h GLU 540 N 1.11 1.08 -0.58 1.69 5.08 -0.78 -1.44 114.58 120.73 1ww3 h GLU 540 Ca 0.26 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1ww3 h GLU 540 Cb 0.19 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1ww3 h GLU 540 CO -0.02 1.03 0.07 -0.91 -1.00 0.00 0.00 179.01 178.17 1ww3 h ASN 541 N 0.99 0.91 -0.50 1.42 2.35 -0.73 -0.81 115.58 119.20 1ww3 h ASN 541 Ca 0.18 -0.21 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 1ww3 h ASN 541 Cb 0.52 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1ww3 h ASN 541 CO 0.02 0.93 -0.10 0.11 -1.65 0.00 0.00 177.43 176.75 1ww3 h LYS 542 N 0.89 0.98 -0.51 0.81 1.57 -0.90 -0.57 116.57 118.84 1ww3 h LYS 542 Ca 0.18 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 1ww3 h LYS 542 Cb 0.43 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1ww3 h LYS 542 CO 0.01 1.02 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.70 1ww3 h LEU 543 N 0.88 1.01 -0.69 2.94 3.38 -1.06 0.69 115.31 122.46 1ww3 h LEU 543 Ca 0.14 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1ww3 h LEU 543 Cb 0.65 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1ww3 h LEU 543 CO 0.04 1.14 0.36 0.50 0.09 0.00 0.00 178.44 180.58 1ww3 h LYS 544 N 0.86 0.97 -0.06 1.13 3.11 -0.93 -1.30 116.57 120.35 1ww3 h LYS 544 Ca 0.12 -0.12 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1ww3 h LYS 544 Cb 0.72 -0.19 0.02 0.00 -1.00 0.00 0.00 32.23 31.78 1ww3 h LYS 544 CO 0.06 0.74 -0.94 0.35 -2.81 0.00 0.00 179.45 176.84 1ww3 h PHE 545 N 0.95 1.07 -0.16 1.91 3.57 -0.94 -2.55 116.94 120.79 1ww3 h PHE 545 Ca 0.24 -0.54 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 1ww3 h PHE 545 Cb 0.07 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1ww3 h PHE 545 CO -0.00 1.37 0.06 0.00 -2.23 0.00 0.00 178.31 177.52 1ww3 h ALA 546 N 0.46 1.82 0.12 2.41 0.00 -0.69 -0.55 119.26 122.82 1ww3 h ALA 546 Ca -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ww3 h ALA 546 Cb 1.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1ww3 h ALA 546 CO 0.19 0.15 -0.06 0.00 0.00 0.00 0.00 179.25 179.53 1ww3 h ALA 547 N 1.86 -0.16 -0.86 0.00 0.00 -1.18 -3.13 119.26 115.79 1ww3 h ALA 547 Ca 0.06 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 54.92 1ww3 h ALA 547 Cb 0.05 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1ww3 h ALA 547 CO -0.01 -0.32 0.57 -0.92 0.00 0.00 0.00 179.25 178.58 1ww3 h TYR 548 N -0.70 0.51 -0.02 0.00 5.03 -0.98 0.68 116.97 121.49 1ww3 h TYR 548 Ca -0.02 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 1ww3 h TYR 548 Cb 0.53 -0.16 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 1ww3 h TYR 548 CO 0.09 0.15 -0.22 1.25 -1.32 0.00 0.00 178.16 178.11 1ww3 h LEU 549 N 0.40 0.04 0.05 2.82 5.85 -1.06 -0.51 115.31 122.90 1ww3 h LEU 549 Ca 0.44 -0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.87 1ww3 h LEU 549 Cb 1.09 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1ww3 h LEU 549 CO -0.16 0.26 -1.55 -0.33 -0.34 0.00 0.00 178.44 176.33 1ww3 h GLU 550 N 0.04 0.11 -0.58 1.25 5.08 -0.94 -2.55 114.58 116.99 1ww3 h GLU 550 Ca 0.01 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1ww3 h GLU 550 Cb 0.41 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 1ww3 h GLU 550 CO 0.03 1.09 0.18 -0.09 -1.00 0.00 0.00 179.01 179.22 1ww3 h ARG 551 N -0.59 0.34 -4.83 2.33 2.43 -1.04 -1.30 114.38 111.72 1ww3 h ARG 551 Ca -0.38 -0.02 -0.68 0.00 -0.81 0.00 0.00 59.98 58.09 1ww3 h ARG 551 Cb 1.59 -0.08 -0.33 0.00 -0.42 0.00 0.00 29.97 30.73 1ww3 h ARG 551 CO -0.10 0.22 -0.73 -1.21 -1.51 0.00 0.00 179.97 176.64 1ww3 s GLU 552 N -6.11 2.52 0.00 0.20 8.01 -0.20 -4.62 118.70 118.51 1ww3 s GLU 552 Ca -0.13 -1.19 0.00 0.00 0.01 0.00 0.00 54.97 53.66 1ww3 s GLU 552 Cb 0.17 -3.06 0.00 0.00 -4.31 0.00 0.00 34.13 26.92 1ww3 s GLU 552 CO 0.74 -0.54 0.00 0.66 0.01 0.00 0.00 175.26 176.13 1ww3 n TYR 553 N 4.60 0.00 -3.44 1.61 4.01 -1.26 -4.36 117.16 118.32 1ww3 n TYR 553 Ca -0.14 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.30 1ww3 n TYR 553 Cb 0.44 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 1ww3 n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1ww3 n LYS 554 N -2.00 -1.90 0.00 -0.72 4.76 -0.49 -4.93 118.16 112.88 1ww3 n LYS 554 Ca 0.00 1.41 0.00 0.00 -2.87 0.00 0.00 58.31 56.85 1ww3 n LYS 554 Cb 0.00 -2.84 0.00 0.00 -1.84 0.00 0.00 35.03 30.35 1ww3 n LYS 554 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1ww3 n VAL 555 N -0.76 0.00 -2.70 -0.18 0.31 -0.99 -4.93 118.33 109.08 1ww3 n VAL 555 Ca -0.10 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.16 1ww3 n VAL 555 Cb 0.64 -0.47 0.11 0.00 -0.91 0.00 0.00 33.84 33.22 1ww3 n VAL 555 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 1ww3 n HIS 556 N 0.00 -2.16 -2.80 3.52 -0.00 -1.26 -4.75 115.22 107.77 1ww3 n HIS 556 Ca 0.00 -1.98 -0.33 0.00 0.46 0.00 0.00 57.72 55.88 1ww3 n HIS 556 Cb 0.00 1.45 -0.06 0.00 -0.12 0.00 0.00 29.99 31.26 1ww3 n HIS 556 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1ww3 s ILE 557 N -0.08 4.51 -0.40 3.57 -4.36 -1.26 -5.05 121.20 118.13 1ww3 s ILE 557 Ca 0.22 1.26 -0.14 0.00 -0.26 0.00 0.00 60.65 61.72 1ww3 s ILE 557 Cb 0.41 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 40.50 1ww3 s ILE 557 CO -0.08 -0.38 0.29 0.21 0.24 0.00 0.00 174.94 175.21 1ww3 s ASN 558 N -2.45 6.07 0.32 4.36 2.47 -1.26 -4.97 114.94 119.47 1ww3 s ASN 558 Ca 0.59 -0.86 0.14 0.00 0.42 0.00 0.00 52.86 53.15 1ww3 s ASN 558 Cb -0.10 -2.15 0.79 0.00 -1.45 0.00 0.00 41.25 38.34 1ww3 s ASN 558 CO 0.19 -0.42 1.36 -2.65 -3.72 0.00 0.00 177.10 171.85 1ww3 n PRO 559 N 5.14 0.10 0.01 0.43 -0.02 -1.26 -1.30 135.00 138.10 1ww3 n PRO 559 Ca -0.11 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1ww3 n PRO 559 Cb 0.47 -2.06 0.21 0.00 -0.02 0.00 0.00 33.50 32.10 1ww3 n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ww3 n ASN 560 N -2.07 0.56 -4.88 2.55 5.03 -1.26 -4.91 115.26 110.27 1ww3 n ASN 560 Ca -0.01 -0.20 -0.30 0.00 0.87 0.00 0.00 54.58 54.94 1ww3 n ASN 560 Cb 0.26 0.30 0.04 0.00 -1.02 0.00 0.00 39.78 39.36 1ww3 n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1ww3 s SER 561 N -3.30 5.67 -0.02 6.41 1.04 -0.42 -4.94 113.70 118.14 1ww3 s SER 561 Ca 0.09 1.17 -0.30 0.00 0.48 0.00 0.00 55.95 57.39 1ww3 s SER 561 Cb 0.16 -2.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1ww3 s SER 561 CO 0.72 -1.19 1.16 -0.22 0.98 0.00 0.00 173.24 174.69 1ww3 s LEU 562 N -5.27 4.31 -0.61 2.42 0.20 0.13 -4.79 118.68 115.06 1ww3 s LEU 562 Ca 0.57 1.84 -0.22 0.00 0.69 0.00 0.00 54.13 57.00 1ww3 s LEU 562 Cb -0.11 -3.57 0.06 0.00 -0.43 0.00 0.00 46.19 42.15 1ww3 s LEU 562 CO 0.52 -0.50 0.90 -0.36 -0.29 0.00 0.00 176.35 176.61 1ww3 s PHE 563 N 1.72 2.77 -0.47 5.38 2.99 -1.26 -0.63 117.98 128.47 1ww3 s PHE 563 Ca 0.56 -0.45 -0.18 0.00 0.00 0.00 0.00 56.93 56.85 1ww3 s PHE 563 Cb -0.25 -4.13 0.05 0.00 0.00 0.00 0.00 43.02 38.69 1ww3 s PHE 563 CO 0.25 -1.47 0.56 0.34 -0.00 0.00 0.00 175.22 174.89 1ww3 s ASP 564 N 3.35 6.22 -0.06 1.36 3.68 -0.30 -1.52 116.67 129.40 1ww3 s ASP 564 Ca 0.22 -0.83 0.05 0.00 2.13 0.00 0.00 52.55 54.13 1ww3 s ASP 564 Cb -0.17 -2.27 -0.01 0.00 -1.45 0.00 0.00 42.92 39.03 1ww3 s ASP 564 CO 0.12 -0.78 -0.24 -0.69 0.13 0.00 0.00 175.17 173.72 1ww3 s VAL 565 N 2.43 1.95 -0.29 1.11 1.01 -0.46 -0.04 120.40 126.11 1ww3 s VAL 565 Ca 0.14 -1.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1ww3 s VAL 565 Cb -0.19 -1.66 0.09 0.00 0.00 0.00 0.00 36.38 34.63 1ww3 s VAL 565 CO 0.13 0.54 0.08 -1.58 0.00 0.00 0.00 175.10 174.27 1ww3 s GLN 566 N -0.04 0.75 -0.10 2.72 0.74 -0.21 -1.76 119.66 121.77 1ww3 s GLN 566 Ca -0.06 -0.99 0.03 0.00 0.05 0.00 0.00 55.36 54.38 1ww3 s GLN 566 Cb -0.14 -2.03 0.01 0.00 1.10 0.00 0.00 33.01 31.94 1ww3 s GLN 566 CO 0.04 -0.92 -0.17 0.14 -0.55 0.00 0.00 175.29 173.83 1ww3 s VAL 567 N 1.63 1.60 0.00 1.34 -7.23 -1.26 -2.10 120.40 114.38 1ww3 s VAL 567 Ca 0.08 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1ww3 s VAL 567 Cb -0.17 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1ww3 s VAL 567 CO -0.22 0.46 0.00 2.29 -0.31 0.00 0.00 175.10 177.32 1ww3 n LYS 568 N 3.90 0.00 -1.73 4.82 2.85 -0.95 -4.99 118.16 122.06 1ww3 n LYS 568 Ca -0.20 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.68 1ww3 n LYS 568 Cb 0.52 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.95 1ww3 n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ww3 n ARG 569 N -0.33 1.55 -2.58 -1.58 5.12 -1.26 -3.98 116.66 113.60 1ww3 n ARG 569 Ca 0.00 0.58 -0.43 0.00 -1.93 0.00 0.00 57.85 56.07 1ww3 n ARG 569 Cb 0.00 -2.53 -0.02 0.00 -1.16 0.00 0.00 32.46 28.74 1ww3 n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ww3 s ILE 570 N -1.31 4.55 -0.12 0.55 -1.09 -0.57 -4.90 121.20 118.30 1ww3 s ILE 570 Ca 0.73 1.86 -0.24 0.00 -2.23 0.00 0.00 60.65 60.77 1ww3 s ILE 570 Cb -0.41 -4.20 0.06 0.00 -1.58 0.00 0.00 42.46 36.33 1ww3 s ILE 570 CO 0.48 -0.10 0.59 -2.28 -1.23 0.00 0.00 174.94 172.39 1ww3 s HIS 571 N 2.87 -0.59 0.38 3.97 2.46 -1.26 -4.69 115.29 118.43 1ww3 s HIS 571 Ca 0.49 1.21 0.07 0.00 0.47 0.00 0.00 55.06 57.30 1ww3 s HIS 571 Cb -0.19 0.28 0.80 0.00 -0.13 0.00 0.00 32.58 33.35 1ww3 s HIS 571 CO 0.13 -0.45 1.98 0.93 -2.47 0.00 0.00 174.74 174.85 1ww3 h GLU 572 N 4.07 0.65 0.00 2.88 5.08 -1.96 -1.86 114.58 123.44 1ww3 h GLU 572 Ca -0.28 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1ww3 h GLU 572 Cb 1.16 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1ww3 h GLU 572 CO 0.28 0.43 -0.11 0.10 -1.00 0.00 0.00 179.01 178.71 1ww3 h TYR 573 N 0.67 0.00 0.00 4.33 -0.00 -1.98 -2.31 116.97 117.69 1ww3 h TYR 573 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.01 1ww3 h TYR 573 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.98 1ww3 h TYR 573 CO -0.00 0.11 0.00 0.87 -0.00 0.00 0.00 178.16 179.14 1ww3 h LYS 574 N 0.00 0.00 -5.50 0.10 1.79 -1.70 -3.11 116.57 108.15 1ww3 h LYS 574 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1ww3 h LYS 574 Cb 0.57 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.36 1ww3 h LYS 574 CO 0.01 0.00 -0.66 0.54 -1.08 0.00 0.00 179.45 178.26 1ww3 n ARG 575 N -3.04 -7.07 0.29 3.15 1.74 -0.87 -4.06 116.66 106.80 1ww3 n ARG 575 Ca 0.03 0.78 0.15 0.00 -0.77 0.00 0.00 57.85 58.04 1ww3 n ARG 575 Cb 0.44 -5.67 0.90 0.00 -1.02 0.00 0.00 32.46 27.11 1ww3 n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1ww3 h GLN 576 N -2.29 0.00 -0.37 5.56 7.50 -1.85 -1.23 115.11 122.43 1ww3 h GLN 576 Ca -0.54 0.00 -0.05 0.00 0.50 0.00 0.00 58.65 58.56 1ww3 h GLN 576 Cb 1.34 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.85 1ww3 h GLN 576 CO 0.51 0.00 0.03 -0.07 -1.50 0.00 0.00 178.83 177.79 1ww3 h LEU 577 N 0.00 0.54 -0.58 1.46 3.38 -1.92 -1.20 115.31 117.00 1ww3 h LEU 577 Ca 0.01 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1ww3 h LEU 577 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1ww3 h LEU 577 CO -0.00 0.59 0.10 0.25 0.09 0.00 0.00 178.44 179.47 1ww3 h LEU 578 N 0.55 0.91 -0.56 1.67 5.85 -1.60 -1.30 115.31 120.85 1ww3 h LEU 578 Ca 0.12 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1ww3 h LEU 578 Cb 0.31 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1ww3 h LEU 578 CO 0.01 0.94 0.36 -1.13 -0.34 0.00 0.00 178.44 178.27 1ww3 h ASN 579 N 0.85 0.65 -0.95 1.25 -0.00 -1.38 -2.03 115.58 113.97 1ww3 h ASN 579 Ca 0.18 -0.03 0.05 0.00 -0.00 0.00 0.00 56.30 56.50 1ww3 h ASN 579 Cb 0.41 -0.16 -0.06 0.00 -0.00 0.00 0.00 38.32 38.51 1ww3 h ASN 579 CO 0.01 0.48 0.61 0.00 -0.00 0.00 0.00 177.43 178.53 1ww3 h LEU 581 N 1.13 0.70 -0.21 0.00 3.38 -0.57 -1.70 115.31 118.05 1ww3 h LEU 581 Ca 0.40 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1ww3 h LEU 581 Cb 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ww3 h LEU 581 CO -0.15 0.72 -0.07 -0.74 0.09 0.00 0.00 178.44 178.28 1ww3 h HIS 582 N 0.72 0.48 -0.59 1.13 2.76 -0.66 -1.74 115.15 117.25 1ww3 h HIS 582 Ca 0.16 -0.11 0.06 0.00 -2.20 0.00 0.00 60.37 58.28 1ww3 h HIS 582 Cb 0.32 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.11 1ww3 h HIS 582 CO 0.02 0.68 0.28 0.28 -1.30 0.00 0.00 177.93 177.89 1ww3 h VAL 583 N 0.13 0.90 -0.29 5.26 2.07 -0.96 0.08 116.25 123.45 1ww3 h VAL 583 Ca 0.05 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1ww3 h VAL 583 Cb 0.54 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1ww3 h VAL 583 CO 0.02 0.10 -0.16 0.40 0.02 0.00 0.00 177.57 177.95 1ww3 h ILE 584 N 0.53 1.24 -0.29 4.57 2.04 -1.27 -1.54 117.51 122.79 1ww3 h ILE 584 Ca 0.27 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1ww3 h ILE 584 Cb 0.23 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1ww3 h ILE 584 CO -0.21 0.36 0.12 0.74 0.00 0.00 0.00 178.15 179.16 1ww3 h THR 585 N 0.47 1.17 -0.79 -0.27 2.02 -0.29 0.08 112.91 115.29 1ww3 h THR 585 Ca 0.08 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1ww3 h THR 585 Cb 0.55 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1ww3 h THR 585 CO 0.03 0.18 0.53 -0.07 0.37 0.00 0.00 175.52 176.56 1ww3 h LEU 586 N 0.32 0.91 -0.22 2.58 4.07 -0.71 -0.92 115.31 121.34 1ww3 h LEU 586 Ca 0.10 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1ww3 h LEU 586 Cb 0.16 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1ww3 h LEU 586 CO -0.01 0.66 0.08 0.22 -1.08 0.00 0.00 178.44 178.31 1ww3 h TYR 587 N 1.07 0.35 -0.47 1.13 5.03 -1.00 -2.19 116.97 120.89 1ww3 h TYR 587 Ca 0.29 -0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.53 1ww3 h TYR 587 Cb -0.13 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 1ww3 h TYR 587 CO -0.02 0.39 0.11 -0.91 -1.32 0.00 0.00 178.16 176.41 1ww3 h ASN 588 N 0.20 0.66 -0.26 -2.11 2.35 -0.65 -1.81 115.58 113.97 1ww3 h ASN 588 Ca 0.07 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 1ww3 h ASN 588 Cb 0.20 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1ww3 h ASN 588 CO -0.00 0.66 -0.14 0.03 -1.65 0.00 0.00 177.43 176.33 1ww3 h ARG 589 N 0.69 0.69 -0.27 0.81 3.08 -1.00 -1.51 114.38 116.88 1ww3 h ARG 589 Ca 0.16 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.91 1ww3 h ARG 589 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1ww3 h ARG 589 CO -0.00 0.80 -0.10 0.82 -1.07 0.00 0.00 179.97 180.42 1ww3 h ILE 590 N 0.62 1.29 0.00 2.04 2.04 -0.95 -1.96 117.51 120.59 1ww3 h ILE 590 Ca 0.10 -1.15 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1ww3 h ILE 590 Cb 0.59 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1ww3 h ILE 590 CO 0.04 0.36 -0.14 0.11 0.00 0.00 0.00 178.15 178.52 1ww3 h LYS 591 N 0.28 0.00 -0.04 2.37 1.79 -1.18 0.32 116.57 120.10 1ww3 h LYS 591 Ca 0.06 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.28 1ww3 h LYS 591 Cb 0.59 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1ww3 h LYS 591 CO 0.03 0.14 -0.96 -0.22 -1.08 0.00 0.00 179.45 177.37 1ww3 h LYS 592 N 0.00 0.69 -2.26 3.15 1.63 -1.04 -3.38 116.57 115.35 1ww3 h LYS 592 Ca -0.00 -0.68 -0.58 0.00 -0.85 0.00 0.00 60.65 58.53 1ww3 h LYS 592 Cb 0.27 0.18 -0.39 0.00 -0.60 0.00 0.00 32.23 31.69 1ww3 h LYS 592 CO 0.02 1.28 -0.93 0.39 -3.45 0.00 0.00 179.45 176.75 1ww3 n GLU 593 N -3.86 0.94 -0.31 1.90 1.02 -0.76 -5.01 120.64 114.56 1ww3 n GLU 593 Ca -0.09 -3.56 0.11 0.00 -0.02 0.00 0.00 57.16 53.60 1ww3 n GLU 593 Cb 0.84 -1.63 0.29 0.00 -0.02 0.00 0.00 31.44 30.92 1ww3 n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1ww3 h PRO 594 N 4.69 0.54 -0.68 3.49 0.11 -1.14 -2.68 132.00 136.33 1ww3 h PRO 594 Ca 0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1ww3 h PRO 594 Cb 0.84 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1ww3 h PRO 594 CO 0.52 0.35 0.00 0.09 -0.21 0.00 0.00 178.00 178.75 1ww3 n ASN 595 N -4.92 4.64 -4.84 -2.05 4.13 -1.26 -4.88 115.26 106.07 1ww3 n ASN 595 Ca 0.21 -2.71 -0.38 0.00 1.68 0.00 0.00 54.58 53.38 1ww3 n ASN 595 Cb 0.57 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 38.11 1ww3 n ASN 595 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1ww3 s LYS 596 N -2.34 3.84 0.26 3.52 2.36 -1.01 -5.06 119.74 121.31 1ww3 s LYS 596 Ca 0.42 0.33 -0.30 0.00 -2.55 0.00 0.00 55.97 53.87 1ww3 s LYS 596 Cb 0.32 -3.21 -0.09 0.00 -1.05 0.00 0.00 37.83 33.80 1ww3 s LYS 596 CO 0.12 0.70 1.04 0.12 1.55 0.00 0.00 175.35 178.89 1ww3 s PHE 597 N -1.08 3.73 -0.03 4.03 5.36 -1.26 -5.05 117.98 123.68 1ww3 s PHE 597 Ca 0.23 1.78 -0.04 0.00 -0.96 0.00 0.00 56.93 57.93 1ww3 s PHE 597 Cb -0.16 -3.17 0.01 0.00 -0.34 0.00 0.00 43.02 39.35 1ww3 s PHE 597 CO 0.12 -0.18 0.10 0.14 -1.46 0.00 0.00 175.22 173.94 1ww3 s VAL 598 N -1.14 0.03 0.04 3.12 -7.23 -1.26 -5.11 120.40 108.85 1ww3 s VAL 598 Ca 0.43 -0.23 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 1ww3 s VAL 598 Cb -0.30 -0.22 -0.08 0.00 0.56 0.00 0.00 36.38 36.34 1ww3 s VAL 598 CO 0.38 -0.12 1.80 -0.69 -0.31 0.00 0.00 175.10 176.15 1ww3 s VAL 599 N -0.37 3.05 0.35 1.32 1.01 -1.26 -4.92 120.40 119.57 1ww3 s VAL 599 Ca -0.04 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1ww3 s VAL 599 Cb -0.03 -3.18 -0.11 0.00 0.00 0.00 0.00 36.38 33.06 1ww3 s VAL 599 CO 0.00 -0.01 1.49 -2.84 0.00 0.00 0.00 175.10 173.74 1ww3 s PRO 600 N 3.61 4.15 0.04 2.72 0.02 -1.26 -4.92 135.00 139.36 1ww3 s PRO 600 Ca 0.80 2.52 0.03 0.00 0.02 0.00 0.00 61.00 64.37 1ww3 s PRO 600 Cb -0.41 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.09 1ww3 s PRO 600 CO 0.36 -0.51 -0.09 1.03 -0.33 0.00 0.00 177.00 177.45 1ww3 s ARG 601 N -1.64 0.60 -0.28 5.54 0.52 -0.36 -0.70 118.95 122.63 1ww3 s ARG 601 Ca 0.55 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 55.04 1ww3 s ARG 601 Cb -0.46 -0.45 0.07 0.00 0.52 0.00 0.00 34.95 34.64 1ww3 s ARG 601 CO 0.58 0.09 -0.04 0.99 0.02 0.00 0.00 175.30 176.94 1ww3 s THR 602 N -1.21 2.01 -0.28 0.02 2.01 0.20 -2.04 115.64 116.35 1ww3 s THR 602 Ca -0.07 -1.77 -0.18 0.00 0.31 0.00 0.00 61.69 59.98 1ww3 s THR 602 Cb -0.09 -2.28 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1ww3 s THR 602 CO 0.01 -0.26 0.53 -0.69 -0.69 0.00 0.00 174.62 173.52 1ww3 s VAL 603 N 1.12 5.04 -0.14 3.82 1.01 0.50 -1.15 120.40 130.61 1ww3 s VAL 603 Ca -0.01 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1ww3 s VAL 603 Cb -0.19 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1ww3 s VAL 603 CO -0.07 0.01 -0.15 -0.04 0.00 0.00 0.00 175.10 174.84 1ww3 s MET 604 N 2.37 3.26 -0.05 2.72 -1.94 0.94 -0.90 119.30 125.71 1ww3 s MET 604 Ca 0.21 -0.74 0.02 0.00 -1.71 0.00 0.00 55.69 53.47 1ww3 s MET 604 Cb -0.15 -2.59 0.01 0.00 2.01 0.00 0.00 34.83 34.11 1ww3 s MET 604 CO 0.10 0.11 -0.09 0.42 -0.01 0.00 0.00 175.02 175.56 1ww3 s ILE 605 N 0.58 0.83 0.08 2.53 1.01 -0.52 -1.04 121.20 124.66 1ww3 s ILE 605 Ca -0.09 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.11 1ww3 s ILE 605 Cb -0.16 -0.78 0.02 0.00 0.01 0.00 0.00 42.46 41.55 1ww3 s ILE 605 CO 0.03 0.28 0.28 -0.83 0.00 0.00 0.00 174.94 174.70 1ww3 s GLY 606 N 0.62 -0.07 0.00 6.18 0.00 -0.89 -0.72 107.32 112.43 1ww3 s GLY 606 Ca -0.11 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.38 1ww3 s GLY 606 CO 0.02 -0.45 0.00 0.61 0.00 0.00 0.00 173.10 173.27 1ww3 n GLY 607 N 0.18 3.85 3.91 0.20 0.00 -1.26 -2.24 105.19 109.83 1ww3 n GLY 607 Ca -0.17 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 1ww3 n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ww3 s LYS 608 N -2.61 3.55 -0.07 1.61 1.02 -1.26 -4.63 119.74 117.35 1ww3 s LYS 608 Ca 0.00 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.76 1ww3 s LYS 608 Cb 0.00 -2.92 -0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1ww3 s LYS 608 CO 0.00 0.52 -0.02 0.00 -0.92 0.00 0.00 175.35 174.93 1ww3 s ALA 609 N -1.61 3.18 0.32 5.17 0.00 -1.26 -1.51 121.76 126.05 1ww3 s ALA 609 Ca 0.39 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 51.20 1ww3 s ALA 609 Cb -0.12 -1.37 -0.11 0.00 0.00 0.00 0.00 23.12 21.52 1ww3 s ALA 609 CO 0.26 0.59 1.49 0.00 0.00 0.00 0.00 175.76 178.10 1ww3 s ALA 610 N -0.89 3.63 0.42 0.00 0.00 -1.26 -4.87 121.76 118.79 1ww3 s ALA 610 Ca 0.14 1.49 0.21 0.00 0.00 0.00 0.00 51.96 53.81 1ww3 s ALA 610 Cb -0.11 -3.60 1.18 0.00 0.00 0.00 0.00 23.12 20.59 1ww3 s ALA 610 CO 0.03 -0.93 1.77 -1.35 0.00 0.00 0.00 175.76 175.28 1ww3 h PRO 611 N 3.97 0.31 -0.65 0.00 0.11 -1.98 -1.39 132.00 132.37 1ww3 h PRO 611 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1ww3 h PRO 611 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ww3 h PRO 611 CO 0.71 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 1ww3 n GLY 612 N -1.51 2.05 3.37 -0.55 0.00 -1.26 -4.77 105.19 102.52 1ww3 n GLY 612 Ca 0.26 -0.71 -0.46 0.00 0.00 0.00 0.00 46.02 45.11 1ww3 n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ww3 s TYR 613 N -1.14 3.65 0.14 1.61 6.04 -0.52 -4.93 117.35 122.20 1ww3 s TYR 613 Ca 0.44 -1.93 -0.27 0.00 0.04 0.00 0.00 57.07 55.34 1ww3 s TYR 613 Cb 0.23 -3.96 -0.02 0.00 -1.04 0.00 0.00 41.96 37.17 1ww3 s TYR 613 CO 0.30 -1.13 1.59 1.25 -1.54 0.00 0.00 175.55 176.02 1ww3 h HIS 614 N 7.88 -1.11 -0.99 4.97 -0.00 -1.86 -2.05 115.15 122.00 1ww3 h HIS 614 Ca 0.14 0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.64 1ww3 h HIS 614 Cb 1.01 0.52 -0.07 0.00 -0.00 0.00 0.00 27.41 28.87 1ww3 h HIS 614 CO 1.04 -0.44 0.64 1.98 -0.00 0.00 0.00 177.93 181.15 1ww3 h MET 615 N -0.41 1.07 -0.81 5.26 1.85 -1.98 -0.81 114.93 119.10 1ww3 h MET 615 Ca 0.10 -0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.08 1ww3 h MET 615 Cb 0.59 -0.24 -0.04 0.00 0.43 0.00 0.00 31.60 32.34 1ww3 h MET 615 CO -0.44 0.71 0.33 0.00 -0.40 0.00 0.00 176.91 177.11 1ww3 h ALA 616 N 1.49 1.05 -0.13 0.39 0.00 -1.79 -1.12 119.26 119.15 1ww3 h ALA 616 Ca 0.45 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ww3 h ALA 616 Cb 0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ww3 h ALA 616 CO -0.20 0.67 -0.38 0.87 0.00 0.00 0.00 179.25 180.21 1ww3 h LYS 617 N 1.18 0.28 -0.07 0.00 1.57 -0.58 -2.65 116.57 116.29 1ww3 h LYS 617 Ca 0.27 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 1ww3 h LYS 617 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1ww3 h LYS 617 CO -0.02 0.63 -0.48 0.52 -0.57 0.00 0.00 179.45 179.52 1ww3 h MET 618 N 0.24 0.18 -0.48 3.15 2.86 -0.61 -2.66 114.93 117.61 1ww3 h MET 618 Ca 0.02 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1ww3 h MET 618 Cb 0.79 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 1ww3 h MET 618 CO 0.06 0.63 -0.12 0.82 1.06 0.00 0.00 176.91 179.36 1ww3 h ILE 619 N 0.15 1.26 -0.52 -1.22 2.04 -0.89 -1.30 117.51 117.04 1ww3 h ILE 619 Ca 0.01 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 64.60 1ww3 h ILE 619 Cb 0.91 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1ww3 h ILE 619 CO 0.07 0.43 0.19 0.40 0.00 0.00 0.00 178.15 179.24 1ww3 h ILE 620 N 0.80 1.22 -0.85 -0.67 2.04 -1.30 -1.78 117.51 116.98 1ww3 h ILE 620 Ca 0.13 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1ww3 h ILE 620 Cb 0.64 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1ww3 h ILE 620 CO 0.04 0.27 0.48 0.50 0.00 0.00 0.00 178.15 179.45 1ww3 h LYS 621 N 0.71 1.17 -0.53 2.37 1.63 -1.20 -2.21 116.57 118.51 1ww3 h LYS 621 Ca 0.17 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1ww3 h LYS 621 Cb 0.24 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1ww3 h LYS 621 CO -0.01 0.85 0.32 1.25 -3.45 0.00 0.00 179.45 178.41 1ww3 h LEU 622 N 1.18 0.63 -0.35 5.20 6.46 -0.89 0.06 115.31 127.59 1ww3 h LEU 622 Ca 0.30 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.01 1ww3 h LEU 622 Cb 0.01 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 1ww3 h LEU 622 CO -0.05 0.49 0.21 0.40 -0.62 0.00 0.00 178.44 178.88 1ww3 h ILE 623 N 0.71 1.11 -0.17 4.05 2.04 -0.92 0.05 117.51 124.38 1ww3 h ILE 623 Ca 0.19 -0.25 -0.10 0.00 1.00 0.00 0.00 64.86 65.69 1ww3 h ILE 623 Cb -0.02 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1ww3 h ILE 623 CO -0.04 0.11 -0.33 0.71 0.00 0.00 0.00 178.15 178.61 1ww3 h THR 624 N 0.46 1.28 -0.54 -0.27 1.35 -1.24 -2.18 112.91 111.77 1ww3 h THR 624 Ca 0.13 -1.37 -0.07 0.00 -0.55 0.00 0.00 66.41 64.54 1ww3 h THR 624 Cb -0.00 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 1ww3 h THR 624 CO -0.02 0.42 0.04 0.00 -0.25 0.00 0.00 175.52 175.70 1ww3 h ALA 625 N 1.35 1.04 -0.46 6.62 0.00 -0.42 -0.78 119.26 126.61 1ww3 h ALA 625 Ca 0.04 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 1ww3 h ALA 625 Cb 0.74 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1ww3 h ALA 625 CO 0.06 0.60 -0.25 0.82 0.00 0.00 0.00 179.25 180.48 1ww3 h ILE 626 N 0.84 1.27 -0.65 0.00 2.04 -0.75 -2.98 117.51 117.28 1ww3 h ILE 626 Ca 0.16 -1.42 -0.06 0.00 1.00 0.00 0.00 64.86 64.55 1ww3 h ILE 626 Cb 0.45 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1ww3 h ILE 626 CO 0.02 0.48 0.18 1.23 0.00 0.00 0.00 178.15 180.07 1ww3 h GLY 627 N 0.87 1.08 1.29 5.37 0.00 -1.00 -0.42 103.07 110.26 1ww3 h GLY 627 Ca 0.10 -0.63 0.05 0.00 0.00 0.00 0.00 47.33 46.85 1ww3 h GLY 627 CO 0.07 0.59 0.36 -0.55 0.00 0.00 0.00 176.54 177.01 1ww3 h ASP 628 N 0.96 0.48 0.00 0.19 3.45 -1.00 0.07 116.42 120.58 1ww3 h ASP 628 Ca 0.21 -0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.59 1ww3 h ASP 628 Cb 0.30 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 1ww3 h ASP 628 CO -0.00 0.32 -0.47 0.58 -1.57 0.00 0.00 179.24 178.10 1ww3 h VAL 629 N 0.55 0.96 -0.40 -1.35 2.07 -1.37 -3.36 116.25 113.36 1ww3 h VAL 629 Ca 0.23 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.85 1ww3 h VAL 629 Cb 0.20 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1ww3 h VAL 629 CO -0.06 0.33 0.17 0.58 0.02 0.00 0.00 177.57 178.61 1ww3 h VAL 630 N -1.00 1.19 0.00 2.57 2.07 -1.03 -3.01 116.25 117.03 1ww3 h VAL 630 Ca -0.11 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1ww3 h VAL 630 Cb 0.86 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1ww3 h VAL 630 CO -0.07 0.20 0.00 0.59 0.02 0.00 0.00 177.57 178.32 1ww3 n ASN 631 N -4.67 0.40 -0.27 0.57 3.02 0.01 -2.94 115.26 111.38 1ww3 n ASN 631 Ca -0.00 0.60 0.05 0.00 -0.03 0.00 0.00 54.58 55.20 1ww3 n ASN 631 Cb 0.13 -0.68 0.11 0.00 -0.61 0.00 0.00 39.78 38.73 1ww3 n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1ww3 n HIS 632 N -1.94 0.22 -3.08 3.10 8.25 -1.16 -4.96 115.22 115.67 1ww3 n HIS 632 Ca 0.03 -0.71 -0.43 0.00 -0.26 0.00 0.00 57.72 56.36 1ww3 n HIS 632 Cb 0.20 -0.12 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 1ww3 n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ww3 s ASP 633 N -1.70 6.38 0.34 0.41 -1.08 -1.15 -4.94 116.67 114.93 1ww3 s ASP 633 Ca 0.20 -0.10 0.10 0.00 -0.52 0.00 0.00 52.55 52.23 1ww3 s ASP 633 Cb 0.16 -2.34 0.85 0.00 -1.46 0.00 0.00 42.92 40.13 1ww3 s ASP 633 CO 0.05 -0.74 1.81 -0.65 0.52 0.00 0.00 175.17 176.16 1ww3 h PRO 634 N 8.73 0.63 0.00 4.34 0.11 -1.92 -1.19 132.00 142.70 1ww3 h PRO 634 Ca -0.26 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.76 1ww3 h PRO 634 Cb 1.10 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1ww3 h PRO 634 CO 0.89 0.42 -0.29 0.28 -0.21 0.00 0.00 178.00 179.08 1ww3 h VAL 635 N 0.65 1.05 -0.01 3.15 2.07 -1.97 -2.96 116.25 118.23 1ww3 h VAL 635 Ca 0.54 -1.05 -0.25 0.00 0.82 0.00 0.00 66.70 66.76 1ww3 h VAL 635 Cb 0.99 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1ww3 h VAL 635 CO -0.30 0.28 -1.00 0.58 0.02 0.00 0.00 177.57 177.15 1ww3 h VAL 636 N 0.00 1.32 0.00 2.57 2.07 -1.56 -3.49 116.25 117.17 1ww3 h VAL 636 Ca -0.00 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.21 1ww3 h VAL 636 Cb 0.57 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1ww3 h VAL 636 CO 0.04 0.70 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1ww3 n GLY 637 N 1.02 2.82 1.66 2.17 0.00 -1.12 -2.39 105.19 109.34 1ww3 n GLY 637 Ca -0.09 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1ww3 n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ww3 n ASP 638 N 3.14 3.66 0.13 1.61 3.85 -1.26 -4.40 116.55 123.28 1ww3 n ASP 638 Ca 0.00 -3.49 0.08 0.00 -0.71 0.00 0.00 54.79 50.68 1ww3 n ASP 638 Cb 0.00 -0.71 0.04 0.00 -1.35 0.00 0.00 41.12 39.10 1ww3 n ASP 638 CO 0.00 0.00 0.00 0.03 -1.01 0.00 0.00 177.20 176.22 1ww3 h ARG 639 N 1.56 0.00 -2.63 0.11 3.08 -1.81 -3.44 114.38 111.25 1ww3 h ARG 639 Ca 0.33 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.26 1ww3 h ARG 639 Cb 2.17 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 31.94 1ww3 h ARG 639 CO 0.67 0.13 -0.34 -1.17 -1.07 0.00 0.00 179.97 178.19 1ww3 s LEU 640 N -5.88 -0.26 -0.01 3.04 2.96 -1.26 -1.23 118.68 116.05 1ww3 s LEU 640 Ca 0.02 0.89 0.03 0.00 -0.22 0.00 0.00 54.13 54.85 1ww3 s LEU 640 Cb 0.08 1.29 -0.00 0.00 0.50 0.00 0.00 46.19 48.05 1ww3 s LEU 640 CO 0.75 -0.21 -0.10 -0.13 -1.32 0.00 0.00 176.35 175.34 1ww3 s ARG 641 N 1.84 0.87 -0.24 1.98 1.81 -0.86 -4.67 118.95 119.67 1ww3 s ARG 641 Ca -0.06 -0.35 0.03 0.00 -1.72 0.00 0.00 55.73 53.63 1ww3 s ARG 641 Cb -0.10 -0.83 0.05 0.00 -0.45 0.00 0.00 34.95 33.63 1ww3 s ARG 641 CO -0.12 0.19 -0.12 0.08 -0.68 0.00 0.00 175.30 174.64 1ww3 s VAL 642 N -0.11 2.11 -0.07 3.52 1.01 -1.26 -0.37 120.40 125.23 1ww3 s VAL 642 Ca 0.02 -1.50 0.05 0.00 0.00 0.00 0.00 61.98 60.55 1ww3 s VAL 642 Cb -0.05 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1ww3 s VAL 642 CO -0.00 0.06 -0.23 -0.63 0.00 0.00 0.00 175.10 174.29 1ww3 s ILE 643 N 1.15 1.95 -0.33 2.22 1.09 -0.08 -4.57 121.20 122.63 1ww3 s ILE 643 Ca -0.07 -0.99 -0.13 0.00 -1.10 0.00 0.00 60.65 58.37 1ww3 s ILE 643 Cb -0.19 -1.67 -0.02 0.00 -1.06 0.00 0.00 42.46 39.52 1ww3 s ILE 643 CO -0.06 0.54 0.23 0.12 -0.10 0.00 0.00 174.94 175.67 1ww3 s PHE 644 N 0.04 3.23 -0.36 3.97 2.19 -1.26 -1.44 117.98 124.35 1ww3 s PHE 644 Ca -0.09 -0.20 -0.29 0.00 0.33 0.00 0.00 56.93 56.68 1ww3 s PHE 644 Cb -0.15 -2.46 0.01 0.00 -1.31 0.00 0.00 43.02 39.11 1ww3 s PHE 644 CO 0.05 -0.35 1.24 -0.51 1.83 0.00 0.00 175.22 177.49 1ww3 s LEU 645 N 1.72 3.79 0.30 6.12 1.43 0.10 -4.96 118.68 127.18 1ww3 s LEU 645 Ca 0.06 0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 53.84 1ww3 s LEU 645 Cb -0.17 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.41 1ww3 s LEU 645 CO 0.10 -1.14 1.07 -0.70 0.23 0.00 0.00 176.35 175.92 1ww3 s GLU 646 N 4.26 4.58 -1.35 1.70 2.12 -1.26 -4.03 118.70 124.72 1ww3 s GLU 646 Ca 0.53 1.73 -0.04 0.00 0.36 0.00 0.00 54.97 57.55 1ww3 s GLU 646 Cb -0.13 -3.09 0.02 0.00 0.26 0.00 0.00 34.13 31.19 1ww3 s GLU 646 CO 0.25 0.19 0.88 -1.71 -0.54 0.00 0.00 175.26 174.32 1ww3 n ASN 647 N 1.01 -2.75 -4.68 -1.70 5.15 -1.25 -4.90 115.26 106.15 1ww3 n ASN 647 Ca -0.00 -0.74 -0.46 0.00 -0.60 0.00 0.00 54.58 52.78 1ww3 n ASN 647 Cb 0.46 -4.33 -0.04 0.00 -0.53 0.00 0.00 39.78 35.34 1ww3 n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ww3 n TYR 648 N -4.43 2.36 -3.93 1.20 9.36 -1.26 -4.88 117.16 115.58 1ww3 n TYR 648 Ca -0.19 0.17 -0.12 0.00 3.32 0.00 0.00 57.90 61.08 1ww3 n TYR 648 Cb 0.63 -2.59 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 1ww3 n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1ww3 s ARG 649 N 1.57 2.16 0.15 2.98 1.70 -1.26 -4.73 118.95 121.53 1ww3 s ARG 649 Ca 0.81 -1.65 -0.16 0.00 -0.47 0.00 0.00 55.73 54.26 1ww3 s ARG 649 Cb -0.65 0.55 0.06 0.00 -0.57 0.00 0.00 34.95 34.34 1ww3 s ARG 649 CO 0.39 -0.97 1.75 0.28 -1.08 0.00 0.00 175.30 175.68 1ww3 h VAL 650 N 2.03 0.91 -0.19 4.99 2.07 -1.96 -0.51 116.25 123.58 1ww3 h VAL 650 Ca -0.31 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1ww3 h VAL 650 Cb 1.24 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1ww3 h VAL 650 CO 0.41 0.05 0.07 0.77 0.02 0.00 0.00 177.57 178.89 1ww3 h SER 651 N 0.28 0.23 0.69 0.57 4.64 -1.97 -1.52 113.55 116.48 1ww3 h SER 651 Ca 0.16 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.26 1ww3 h SER 651 Cb 0.13 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1ww3 h SER 651 CO -0.16 0.22 -0.94 0.25 -0.87 0.00 0.00 176.83 175.33 1ww3 h LEU 652 N 0.26 0.20 -1.02 5.97 5.85 -1.73 -3.14 115.31 121.71 1ww3 h LEU 652 Ca 0.07 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 1ww3 h LEU 652 Cb 0.07 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1ww3 h LEU 652 CO -0.01 1.03 0.19 0.00 -0.34 0.00 0.00 178.44 179.32 1ww3 h ALA 653 N 0.95 1.22 0.00 1.25 0.00 -0.16 -1.13 119.26 121.38 1ww3 h ALA 653 Ca -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ww3 h ALA 653 Cb 1.61 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ww3 h ALA 653 CO 0.14 0.55 -0.03 0.93 0.00 0.00 0.00 179.25 180.84 1ww3 h GLU 654 N 0.87 0.00 0.02 0.00 5.08 -1.28 -2.20 114.58 117.07 1ww3 h GLU 654 Ca 0.20 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.23 1ww3 h GLU 654 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1ww3 h GLU 654 CO -0.01 0.03 -1.80 1.63 -1.00 0.00 0.00 179.01 177.86 1ww3 n LYS 655 N -3.24 0.61 0.08 2.33 5.02 -0.63 -4.50 118.16 117.84 1ww3 n LYS 655 Ca -0.02 0.41 -0.13 0.00 -2.02 0.00 0.00 58.31 56.56 1ww3 n LYS 655 Cb 0.19 -1.66 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 1ww3 n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1ww3 h VAL 656 N -0.73 1.43 -0.39 -0.18 3.04 -1.25 -3.34 116.25 114.82 1ww3 h VAL 656 Ca -0.47 -2.59 -0.01 0.00 -1.01 0.00 0.00 66.70 62.62 1ww3 h VAL 656 Cb 1.56 2.53 -0.02 0.00 -2.01 0.00 0.00 31.29 33.35 1ww3 h VAL 656 CO -0.20 0.77 0.22 0.40 -1.01 0.00 0.00 177.57 177.74 1ww3 h ILE 657 N 0.18 1.15 0.00 3.17 2.04 -1.63 -1.78 117.51 120.64 1ww3 h ILE 657 Ca -0.09 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1ww3 h ILE 657 Cb 1.65 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1ww3 h ILE 657 CO 0.17 0.16 0.00 -0.65 0.00 0.00 0.00 178.15 177.82 1ww3 h PRO 658 N 0.51 0.00 -0.04 2.37 0.11 -1.79 -2.18 132.00 130.98 1ww3 h PRO 658 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1ww3 h PRO 658 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1ww3 h PRO 658 CO -0.02 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.77 1ww3 n ALA 659 N -1.96 2.50 -2.05 -0.75 0.00 -0.70 -4.77 120.51 112.76 1ww3 n ALA 659 Ca -0.01 -0.62 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 1ww3 n ALA 659 Cb 0.13 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 1ww3 n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ww3 s ALA 660 N -1.98 3.30 -0.21 0.00 0.00 -0.82 -4.65 121.76 117.40 1ww3 s ALA 660 Ca 0.31 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1ww3 s ALA 660 Cb 0.20 -2.87 -0.13 0.00 0.00 0.00 0.00 23.12 20.33 1ww3 s ALA 660 CO 0.31 0.29 -0.21 -0.25 0.00 0.00 0.00 175.76 175.91 1ww3 n ASP 661 N 0.01 2.20 -4.14 0.00 8.00 -0.66 -4.18 116.55 117.78 1ww3 n ASP 661 Ca 0.02 -0.02 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1ww3 n ASP 661 Cb 0.52 -0.40 -0.17 0.00 -0.02 0.00 0.00 41.12 41.06 1ww3 n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ww3 s LEU 662 N -6.43 1.98 -0.26 0.64 0.20 -0.57 -0.54 118.68 113.69 1ww3 s LEU 662 Ca -0.28 -0.53 -0.10 0.00 0.69 0.00 0.00 54.13 53.91 1ww3 s LEU 662 Cb 0.08 -1.31 -0.04 0.00 -0.43 0.00 0.00 46.19 44.49 1ww3 s LEU 662 CO 0.46 0.08 0.14 -0.55 -0.29 0.00 0.00 176.35 176.19 1ww3 s SER 663 N 0.72 5.75 -0.40 3.68 0.15 0.31 -1.35 113.70 122.57 1ww3 s SER 663 Ca -0.11 -0.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.32 1ww3 s SER 663 Cb -0.16 -2.05 0.01 0.00 -1.71 0.00 0.00 66.02 62.11 1ww3 s SER 663 CO 0.01 -0.01 0.53 -1.61 1.20 0.00 0.00 173.24 173.36 1ww3 s GLU 664 N 1.50 3.36 -0.53 5.44 0.41 -0.72 -1.48 118.70 126.67 1ww3 s GLU 664 Ca 0.07 -0.41 0.06 0.00 -0.41 0.00 0.00 54.97 54.27 1ww3 s GLU 664 Cb -0.15 -3.90 0.20 0.00 -1.78 0.00 0.00 34.13 28.50 1ww3 s GLU 664 CO 0.07 -0.82 0.50 1.04 -0.49 0.00 0.00 175.26 175.57 1ww3 n GLN 665 N 5.86 1.21 -1.20 1.61 1.13 -0.80 -4.78 117.38 120.42 1ww3 n GLN 665 Ca -0.05 -3.83 -0.14 0.00 -1.94 0.00 0.00 57.00 51.04 1ww3 n GLN 665 Cb 0.48 -1.84 0.14 0.00 0.11 0.00 0.00 30.24 29.12 1ww3 n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1ww3 n ILE 666 N 1.88 2.74 -1.74 5.09 -5.35 -1.26 -2.39 119.36 118.32 1ww3 n ILE 666 Ca 0.25 -3.12 -0.34 0.00 -0.27 0.00 0.00 62.75 59.27 1ww3 n ILE 666 Cb 0.44 -0.65 0.06 0.00 -1.74 0.00 0.00 39.64 37.75 1ww3 n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ww3 s SER 667 N -2.66 4.85 0.23 7.28 1.04 -1.26 -4.67 113.70 118.51 1ww3 s SER 667 Ca 0.50 2.24 -0.31 0.00 0.48 0.00 0.00 55.95 58.86 1ww3 s SER 667 Cb 0.43 -2.58 -0.11 0.00 0.10 0.00 0.00 66.02 63.86 1ww3 s SER 667 CO 0.01 -1.82 1.54 -0.89 0.98 0.00 0.00 173.24 173.06 1ww3 s THR 668 N -1.98 2.45 0.03 2.02 2.01 -1.18 -4.68 115.64 114.31 1ww3 s THR 668 Ca 0.73 0.35 -0.37 0.00 0.31 0.00 0.00 61.69 62.71 1ww3 s THR 668 Cb -0.26 -3.23 -0.17 0.00 0.01 0.00 0.00 72.50 68.85 1ww3 s THR 668 CO 0.39 0.05 1.40 0.00 -0.69 0.00 0.00 174.62 175.77 1ww3 n ALA 669 N 2.93 -0.89 -0.33 7.40 0.00 -1.26 -1.90 120.51 126.47 1ww3 n ALA 669 Ca 0.10 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1ww3 n ALA 669 Cb 0.39 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1ww3 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ww3 n GLY 670 N 2.77 0.75 0.06 0.00 0.00 -1.26 -4.71 105.19 102.79 1ww3 n GLY 670 Ca 0.20 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 1ww3 n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ww3 n THR 671 N -2.16 0.73 -3.03 2.61 -2.24 -0.80 -4.87 114.28 104.51 1ww3 n THR 671 Ca 0.00 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.95 1ww3 n THR 671 Cb 0.00 -0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 67.38 1ww3 n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1ww3 s GLU 672 N -2.26 3.21 0.25 -0.78 2.56 -1.26 -4.78 118.70 115.63 1ww3 s GLU 672 Ca -0.09 -0.64 -0.05 0.00 0.00 0.00 0.00 54.97 54.19 1ww3 s GLU 672 Cb 0.04 -4.08 0.48 0.00 2.00 0.00 0.00 34.13 32.56 1ww3 s GLU 672 CO 0.39 -1.31 1.66 0.00 -0.56 0.00 0.00 175.26 175.44 1ww3 h ALA 673 N 9.11 0.91 0.00 6.30 0.00 -1.90 -2.95 119.26 130.73 1ww3 h ALA 673 Ca -0.27 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ww3 h ALA 673 Cb 1.09 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1ww3 h ALA 673 CO 1.01 -0.39 0.00 0.45 0.00 0.00 0.00 179.25 180.31 1ww3 n SER 674 N -5.25 -1.09 0.00 0.00 2.88 -1.26 -4.22 113.62 104.69 1ww3 n SER 674 Ca 0.15 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 1ww3 n SER 674 Cb 0.49 1.18 0.00 0.00 -0.75 0.00 0.00 64.21 65.13 1ww3 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ww3 n GLY 675 N 0.71 -0.11 0.00 0.46 0.00 -1.26 -1.03 105.19 103.95 1ww3 n GLY 675 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1ww3 n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ww3 n THR 676 N 0.39 0.00 -0.17 2.61 -2.24 -1.26 -4.76 114.28 108.85 1ww3 n THR 676 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1ww3 n THR 676 Cb 0.00 -0.14 0.29 0.00 -2.10 0.00 0.00 70.33 68.38 1ww3 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ww3 h GLY 677 N 0.00 0.96 0.48 3.38 0.00 -1.95 -1.40 103.07 104.55 1ww3 h GLY 677 Ca 0.00 -0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.10 1ww3 h GLY 677 CO 0.00 0.34 0.63 3.45 0.00 0.00 0.00 176.54 180.96 1ww3 h ASN 678 N 0.90 0.93 -0.35 0.19 -0.00 -1.94 -1.58 115.58 113.73 1ww3 h ASN 678 Ca 0.26 0.05 -0.14 0.00 -0.00 0.00 0.00 56.30 56.46 1ww3 h ASN 678 Cb -0.06 -0.14 -0.01 0.00 -0.00 0.00 0.00 38.32 38.10 1ww3 h ASN 678 CO -0.06 0.50 -0.33 0.24 -0.00 0.00 0.00 177.43 177.79 1ww3 h MET 679 N 1.01 0.89 -0.72 4.14 2.86 -1.58 -2.61 114.93 118.91 1ww3 h MET 679 Ca 0.49 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1ww3 h MET 679 Cb 0.47 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.09 1ww3 h MET 679 CO -0.26 1.08 0.42 0.87 1.06 0.00 0.00 176.91 180.08 1ww3 h LYS 680 N 0.74 0.99 -0.62 1.72 1.57 -0.89 -2.17 116.57 117.91 1ww3 h LYS 680 Ca 0.08 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1ww3 h LYS 680 Cb 0.90 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1ww3 h LYS 680 CO 0.08 0.71 0.02 0.74 -0.57 0.00 0.00 179.45 180.43 1ww3 h PHE 681 N 0.99 1.18 -0.76 -1.35 0.04 -1.32 -2.76 116.94 112.96 1ww3 h PHE 681 Ca 0.26 -0.20 -0.06 0.00 2.80 0.00 0.00 57.97 60.77 1ww3 h PHE 681 Cb -0.01 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.80 1ww3 h PHE 681 CO -0.01 1.03 0.25 1.98 -0.60 0.00 0.00 178.31 180.96 1ww3 h MET 682 N 0.99 1.17 0.00 1.51 4.05 -1.20 -2.40 114.93 119.05 1ww3 h MET 682 Ca 0.18 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 1ww3 h MET 682 Cb 0.54 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1ww3 h MET 682 CO 0.03 0.99 0.00 1.25 0.23 0.00 0.00 176.91 179.40 1ww3 h LEU 683 N 1.13 0.00 -3.29 3.39 5.85 -1.31 -3.26 115.31 117.82 1ww3 h LEU 683 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1ww3 h LEU 683 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1ww3 h LEU 683 CO -0.01 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.68 1ww3 n ASN 684 N -3.06 4.71 0.00 1.25 3.02 -0.99 -4.93 115.26 115.27 1ww3 n ASN 684 Ca 0.02 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.85 1ww3 n ASN 684 Cb 0.36 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1ww3 n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ww3 n GLY 685 N 0.49 0.69 3.64 7.41 0.00 -1.18 -4.79 105.19 111.46 1ww3 n GLY 685 Ca 0.24 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 1ww3 n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww3 s ALA 686 N -2.00 3.16 0.42 4.61 0.00 -0.94 -4.80 121.76 122.21 1ww3 s ALA 686 Ca 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1ww3 s ALA 686 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1ww3 s ALA 686 CO 0.00 0.66 0.70 -0.51 0.00 0.00 0.00 175.76 176.62 1ww3 s LEU 687 N -2.01 3.79 -0.10 0.00 1.43 0.30 -4.42 118.68 117.66 1ww3 s LEU 687 Ca 0.22 0.81 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 1ww3 s LEU 687 Cb -0.11 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.36 1ww3 s LEU 687 CO 0.14 -0.45 -0.14 -0.89 0.23 0.00 0.00 176.35 175.24 1ww3 s THR 688 N -2.53 2.97 -0.20 5.49 2.01 -1.26 -0.53 115.64 121.59 1ww3 s THR 688 Ca 0.46 -0.71 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1ww3 s THR 688 Cb -0.10 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.19 1ww3 s THR 688 CO 0.40 0.55 -0.08 -0.51 -0.69 0.00 0.00 174.62 174.28 1ww3 s ILE 689 N 0.02 3.07 0.17 1.82 2.07 -0.55 -1.47 121.20 126.33 1ww3 s ILE 689 Ca -0.05 -0.60 -0.24 0.00 -1.41 0.00 0.00 60.65 58.36 1ww3 s ILE 689 Cb -0.14 -2.37 0.07 0.00 0.13 0.00 0.00 42.46 40.15 1ww3 s ILE 689 CO 0.04 0.46 1.00 -0.83 -1.91 0.00 0.00 174.94 173.70 1ww3 s GLY 690 N 1.36 -0.06 0.50 1.50 0.00 -0.56 -1.90 107.32 108.17 1ww3 s GLY 690 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 1ww3 s GLY 690 CO -0.05 1.07 0.76 -0.51 0.00 0.00 0.00 173.10 174.38 1ww3 s THR 691 N -2.71 3.93 -1.40 0.90 -4.23 -1.01 -2.30 115.64 108.83 1ww3 s THR 691 Ca 0.17 -0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.28 1ww3 s THR 691 Cb -0.02 -3.50 0.07 0.00 1.34 0.00 0.00 72.50 70.40 1ww3 s THR 691 CO 0.04 -0.42 2.08 0.23 -0.54 0.00 0.00 174.62 176.01 1ww3 n MET 692 N -2.28 3.04 -4.23 3.99 2.81 -1.26 -4.68 117.12 114.51 1ww3 n MET 692 Ca 0.02 -2.89 -0.21 0.00 -1.81 0.00 0.00 57.70 52.82 1ww3 n MET 692 Cb 0.57 -3.25 -0.12 0.00 -0.71 0.00 0.00 33.22 29.71 1ww3 n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ww3 s ASP 693 N 2.95 2.09 0.50 7.83 3.68 -1.26 -4.65 116.67 127.81 1ww3 s ASP 693 Ca 0.47 -0.66 0.00 0.00 2.13 0.00 0.00 52.55 54.48 1ww3 s ASP 693 Cb 0.11 -0.09 0.00 0.00 -1.45 0.00 0.00 42.92 41.49 1ww3 s ASP 693 CO -0.05 -0.02 0.00 0.61 0.13 0.00 0.00 175.17 175.84 1ww3 n GLY 694 N 1.12 2.33 0.01 2.66 0.00 -1.11 -1.29 105.19 108.90 1ww3 n GLY 694 Ca -0.20 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.74 1ww3 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww3 n ALA 695 N 7.45 1.93 -0.28 4.61 0.00 -0.20 -3.14 120.51 130.87 1ww3 n ALA 695 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.46 1ww3 n ALA 695 Cb 0.00 -1.33 0.32 0.00 0.00 0.00 0.00 19.45 18.44 1ww3 n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1ww3 h ASN 696 N 0.00 0.76 -0.48 0.00 2.35 -1.40 -0.22 115.58 116.58 1ww3 h ASN 696 Ca 0.00 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1ww3 h ASN 696 Cb 0.36 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1ww3 h ASN 696 CO 0.00 0.42 0.30 0.58 -1.65 0.00 0.00 177.43 177.08 1ww3 h VAL 697 N 0.82 1.08 -0.02 2.81 2.07 -1.63 -0.89 116.25 120.50 1ww3 h VAL 697 Ca 0.43 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 67.58 1ww3 h VAL 697 Cb 0.53 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1ww3 h VAL 697 CO -0.20 0.11 -0.72 -0.33 0.02 0.00 0.00 177.57 176.45 1ww3 h GLU 698 N 0.61 0.10 -0.25 1.57 5.08 -1.50 -2.13 114.58 118.07 1ww3 h GLU 698 Ca 0.19 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ww3 h GLU 698 Cb -0.02 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1ww3 h GLU 698 CO -0.07 0.78 0.05 0.52 -1.00 0.00 0.00 179.01 179.29 1ww3 h MET 699 N 0.07 0.40 -0.56 2.33 2.86 -0.77 -0.41 114.93 118.86 1ww3 h MET 699 Ca -0.02 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1ww3 h MET 699 Cb 1.28 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 1ww3 h MET 699 CO 0.10 0.52 0.15 0.00 1.06 0.00 0.00 176.91 178.74 1ww3 h ALA 700 N 0.86 1.21 -0.51 6.32 0.00 -1.15 -0.95 119.26 125.04 1ww3 h ALA 700 Ca 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1ww3 h ALA 700 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ww3 h ALA 700 CO 0.00 0.55 0.16 1.49 0.00 0.00 0.00 179.25 181.45 1ww3 h GLU 701 N 0.82 0.80 -0.30 0.00 4.81 -1.10 0.42 114.58 120.04 1ww3 h GLU 701 Ca 0.18 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 1ww3 h GLU 701 Cb 0.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1ww3 h GLU 701 CO -0.00 0.75 -0.27 0.93 -0.73 0.00 0.00 179.01 179.68 1ww3 h GLU 702 N 0.70 0.71 0.00 1.92 4.39 -0.66 -3.29 114.58 118.35 1ww3 h GLU 702 Ca 0.16 -0.37 -0.15 0.00 0.34 0.00 0.00 59.36 59.35 1ww3 h GLU 702 Cb 0.28 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1ww3 h GLU 702 CO -0.00 0.98 -0.94 0.00 -1.16 0.00 0.00 179.01 177.88 1ww3 h ALA 703 N 0.72 0.63 0.00 3.43 0.00 -1.15 -3.46 119.26 119.42 1ww3 h ALA 703 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1ww3 h ALA 703 Cb 0.84 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ww3 h ALA 703 CO 0.07 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.58 1ww3 n GLY 704 N 1.32 2.24 0.34 0.00 0.00 0.15 -4.64 105.19 104.60 1ww3 n GLY 704 Ca -0.03 -1.35 0.17 0.00 0.00 0.00 0.00 46.02 44.80 1ww3 n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ww3 h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.85 0.24 114.58 119.66 1ww3 h GLU 705 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ww3 h GLU 705 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ww3 h GLU 705 CO 0.00 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.94 1ww3 h GLU 706 N 0.00 0.00 -0.51 2.33 3.07 -1.90 -2.49 114.58 115.08 1ww3 h GLU 706 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1ww3 h GLU 706 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1ww3 h GLU 706 CO -0.00 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.70 1ww3 n ASN 707 N -2.79 4.73 -4.16 1.42 3.02 0.07 -4.93 115.26 112.63 1ww3 n ASN 707 Ca 0.00 -2.70 -0.15 0.00 -0.03 0.00 0.00 54.58 51.71 1ww3 n ASN 707 Cb 0.24 -0.58 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 1ww3 n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ww3 s PHE 708 N -2.29 1.03 -0.93 3.10 5.36 -0.94 -4.81 117.98 118.51 1ww3 s PHE 708 Ca 0.48 -0.59 -0.05 0.00 -0.96 0.00 0.00 56.93 55.81 1ww3 s PHE 708 Cb 0.34 -0.57 0.23 0.00 -0.34 0.00 0.00 43.02 42.68 1ww3 s PHE 708 CO 0.18 -0.00 0.85 -0.06 -1.46 0.00 0.00 175.22 174.72 1ww3 s PHE 709 N -2.01 3.95 0.06 10.12 0.08 -0.54 -4.95 117.98 124.68 1ww3 s PHE 709 Ca 0.01 -2.78 -0.18 0.00 0.12 0.00 0.00 56.93 54.10 1ww3 s PHE 709 Cb -0.06 -3.49 -0.06 0.00 -0.57 0.00 0.00 43.02 38.84 1ww3 s PHE 709 CO 0.01 -0.84 0.53 0.42 -0.10 0.00 0.00 175.22 175.23 1ww3 s ILE 710 N -1.03 4.81 0.25 0.64 -1.09 -1.26 -1.49 121.20 122.03 1ww3 s ILE 710 Ca 0.26 1.11 -0.15 0.00 -2.23 0.00 0.00 60.65 59.64 1ww3 s ILE 710 Cb -0.10 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1ww3 s ILE 710 CO -0.10 0.55 0.55 0.72 -1.23 0.00 0.00 174.94 175.44 1ww3 s PHE 711 N -1.11 0.18 0.00 3.97 -0.71 -0.97 -4.96 117.98 114.37 1ww3 s PHE 711 Ca 0.28 -0.57 0.00 0.00 -1.04 0.00 0.00 56.93 55.60 1ww3 s PHE 711 Cb -0.19 0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.98 1ww3 s PHE 711 CO 0.18 -1.06 0.00 0.41 -1.34 0.00 0.00 175.22 173.40 1ww3 n GLY 712 N -0.40 -1.10 3.76 1.99 0.00 -1.26 -4.27 105.19 103.91 1ww3 n GLY 712 Ca -0.03 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 1ww3 n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ww3 s MET 713 N -1.04 3.56 0.47 1.61 -1.94 -1.26 -4.91 119.30 115.79 1ww3 s MET 713 Ca 0.00 2.11 0.04 0.00 -1.71 0.00 0.00 55.69 56.14 1ww3 s MET 713 Cb 0.00 -2.46 0.02 0.00 2.01 0.00 0.00 34.83 34.40 1ww3 s MET 713 CO 0.00 -0.82 0.66 1.03 -0.01 0.00 0.00 175.02 175.88 1ww3 s ARG 714 N -2.64 2.75 0.27 2.03 1.81 -1.26 -4.51 118.95 117.40 1ww3 s ARG 714 Ca 0.65 -0.95 0.01 0.00 -1.72 0.00 0.00 55.73 53.72 1ww3 s ARG 714 Cb -0.37 -2.63 0.61 0.00 -0.45 0.00 0.00 34.95 32.11 1ww3 s ARG 714 CO 0.45 -0.44 1.73 0.28 -0.68 0.00 0.00 175.30 176.65 1ww3 h VAL 715 N 0.39 0.63 -0.50 3.52 2.07 -1.84 -0.27 116.25 120.25 1ww3 h VAL 715 Ca -0.42 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.89 1ww3 h VAL 715 Cb 1.28 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1ww3 h VAL 715 CO 0.50 0.10 0.19 -0.33 0.02 0.00 0.00 177.57 178.05 1ww3 h GLU 716 N 0.53 0.71 -0.34 1.57 3.07 -1.96 -2.15 114.58 116.01 1ww3 h GLU 716 Ca 0.50 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 59.12 1ww3 h GLU 716 Cb 0.81 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1ww3 h GLU 716 CO -0.43 0.59 -0.33 -0.44 -1.40 0.00 0.00 179.01 177.00 1ww3 h ASP 717 N 0.70 0.79 -0.53 1.42 3.45 -1.44 -1.76 116.42 119.05 1ww3 h ASP 717 Ca 0.17 -0.33 -0.04 0.00 0.43 0.00 0.00 57.03 57.26 1ww3 h ASP 717 Cb 0.15 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1ww3 h ASP 717 CO -0.02 1.05 0.16 0.58 -1.57 0.00 0.00 179.24 179.44 1ww3 h VAL 718 N 0.63 1.24 -0.26 -1.35 2.07 -0.91 -1.77 116.25 115.90 1ww3 h VAL 718 Ca 0.07 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1ww3 h VAL 718 Cb 0.86 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1ww3 h VAL 718 CO 0.08 0.30 0.17 0.44 0.02 0.00 0.00 177.57 178.57 1ww3 h ASP 719 N 0.73 0.30 -0.69 0.57 3.32 -1.21 -1.32 116.42 118.12 1ww3 h ASP 719 Ca 0.17 -0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.27 1ww3 h ASP 719 Cb 0.29 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.71 1ww3 h ASP 719 CO -0.00 0.22 0.39 0.03 -1.72 0.00 0.00 179.24 178.16 1ww3 h ARG 720 N 0.35 0.69 -0.84 3.56 3.08 -1.14 0.19 114.38 120.27 1ww3 h ARG 720 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1ww3 h ARG 720 Cb -0.04 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 1ww3 h ARG 720 CO -0.02 0.46 0.41 1.25 -1.07 0.00 0.00 179.97 181.00 1ww3 h LEU 721 N 0.71 1.10 -0.82 3.04 6.46 -0.88 -1.71 115.31 123.21 1ww3 h LEU 721 Ca 0.31 -0.13 -0.12 0.00 -0.12 0.00 0.00 57.88 57.83 1ww3 h LEU 721 Cb 0.19 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 1ww3 h LEU 721 CO -0.18 0.92 -0.39 0.44 -0.62 0.00 0.00 178.44 178.60 1ww3 h ASP 722 N 1.20 0.43 -0.00 1.25 3.32 -0.29 0.64 116.42 122.96 1ww3 h ASP 722 Ca 0.29 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ww3 h ASP 722 Cb 0.11 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1ww3 h ASP 722 CO -0.04 0.78 0.00 1.56 -1.72 0.00 0.00 179.24 179.82 1ww3 h GLN 723 N 0.34 0.00 -0.25 3.56 1.08 -0.43 -3.03 115.11 116.39 1ww3 h GLN 723 Ca 0.03 -0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.05 1ww3 h GLN 723 Cb 0.84 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 1ww3 h GLN 723 CO 0.07 0.01 -0.57 -0.09 -0.95 0.00 0.00 178.83 177.30 1ww3 h ARG 724 N -0.01 0.80 0.00 1.46 2.43 -1.18 -3.50 114.38 114.38 1ww3 h ARG 724 Ca 0.00 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1ww3 h ARG 724 Cb 0.01 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1ww3 h ARG 724 CO -0.00 1.15 0.00 0.41 -1.51 0.00 0.00 179.97 180.02 1ww3 n GLY 725 N 0.38 2.53 3.65 2.80 0.00 0.22 -5.04 105.19 109.74 1ww3 n GLY 725 Ca -0.04 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1ww3 n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ww3 s TYR 726 N 0.00 3.23 -0.36 1.61 5.04 -1.21 -4.88 117.35 120.78 1ww3 s TYR 726 Ca 0.00 1.34 0.03 0.00 -2.44 0.00 0.00 57.07 56.00 1ww3 s TYR 726 Cb 0.00 -3.45 0.10 0.00 0.35 0.00 0.00 41.96 38.96 1ww3 s TYR 726 CO 0.00 -0.67 0.09 1.21 -1.34 0.00 0.00 175.55 174.84 1ww3 s ASN 727 N 1.44 4.60 0.43 4.32 3.84 -1.26 -4.98 114.94 123.33 1ww3 s ASN 727 Ca 0.45 -2.22 0.10 0.00 0.21 0.00 0.00 52.86 51.40 1ww3 s ASN 727 Cb -0.14 -1.53 0.95 0.00 -0.55 0.00 0.00 41.25 39.98 1ww3 s ASN 727 CO 0.10 -0.36 2.05 0.00 -2.79 0.00 0.00 177.10 176.10 1ww3 h ALA 728 N 7.50 1.82 -1.00 1.71 0.00 -1.87 -2.54 119.26 124.87 1ww3 h ALA 728 Ca -0.06 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.05 1ww3 h ALA 728 Cb 1.00 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.56 1ww3 h ALA 728 CO 0.54 0.13 0.62 0.37 0.00 0.00 0.00 179.25 180.91 1ww3 h GLN 729 N 0.45 0.62 -0.51 0.00 5.75 -1.92 -0.99 115.11 118.51 1ww3 h GLN 729 Ca 0.16 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.69 1ww3 h GLN 729 Cb 0.09 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 28.45 1ww3 h GLN 729 CO -0.04 0.41 0.21 1.49 -2.65 0.00 0.00 178.83 178.25 1ww3 h GLU 730 N 0.64 0.40 -0.41 1.69 4.81 -1.88 0.76 114.58 120.59 1ww3 h GLU 730 Ca 0.59 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.68 1ww3 h GLU 730 Cb 1.09 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1ww3 h GLU 730 CO -0.38 0.26 -0.22 1.88 -0.73 0.00 0.00 179.01 179.83 1ww3 h TYR 731 N 0.41 0.94 -0.80 0.92 -1.99 -1.35 -2.32 116.97 112.77 1ww3 h TYR 731 Ca 0.24 -0.22 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1ww3 h TYR 731 Cb 0.23 -0.22 -0.04 0.00 2.00 0.00 0.00 36.73 38.70 1ww3 h TYR 731 CO -0.14 0.97 0.37 -0.92 -0.00 0.00 0.00 178.16 178.44 1ww3 h TYR 732 N 0.72 1.16 0.00 4.88 5.03 -0.80 -1.67 116.97 126.29 1ww3 h TYR 732 Ca 0.10 -0.06 -0.13 0.00 2.58 0.00 0.00 58.73 61.22 1ww3 h TYR 732 Cb 0.75 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 1ww3 h TYR 732 CO 0.04 0.85 -0.60 -0.44 -1.32 0.00 0.00 178.16 176.69 1ww3 h ASP 733 N 1.15 0.00 -0.01 -2.11 3.32 -0.68 -3.33 116.42 114.76 1ww3 h ASP 733 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1ww3 h ASP 733 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1ww3 h ASP 733 CO -0.03 0.60 -0.61 0.54 -1.72 0.00 0.00 179.24 178.02 1ww3 n ARG 734 N -3.60 0.99 -3.92 3.56 1.74 -0.89 -4.81 116.66 109.73 1ww3 n ARG 734 Ca -0.00 -0.68 -0.30 0.00 -0.77 0.00 0.00 57.85 56.09 1ww3 n ARG 734 Cb 0.65 -1.45 -0.15 0.00 -1.02 0.00 0.00 32.46 30.49 1ww3 n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ww3 s ILE 735 N -2.55 1.95 0.20 0.55 1.01 -0.65 -5.01 121.20 116.71 1ww3 s ILE 735 Ca 0.15 -2.31 -0.14 0.00 0.00 0.00 0.00 60.65 58.35 1ww3 s ILE 735 Cb 0.17 -2.43 0.21 0.00 0.01 0.00 0.00 42.46 40.42 1ww3 s ILE 735 CO 0.63 -0.67 1.64 -0.65 0.00 0.00 0.00 174.94 175.89 1ww3 h PRO 736 N 7.47 0.01 -0.67 2.79 0.11 -1.87 -1.31 132.00 138.53 1ww3 h PRO 736 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1ww3 h PRO 736 Cb 0.99 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1ww3 h PRO 736 CO 0.53 0.01 0.43 0.93 -0.21 0.00 0.00 178.00 179.69 1ww3 h GLU 737 N 0.01 0.88 -0.33 1.05 5.08 -1.96 -1.56 114.58 117.75 1ww3 h GLU 737 Ca 0.29 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1ww3 h GLU 737 Cb 0.45 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ww3 h GLU 737 CO -0.61 0.60 -0.21 1.25 -1.00 0.00 0.00 179.01 179.04 1ww3 h LEU 738 N 0.91 0.76 -0.73 1.33 5.85 -1.65 -2.86 115.31 118.92 1ww3 h LEU 738 Ca 0.24 -0.43 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1ww3 h LEU 738 Cb -0.08 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 1ww3 h LEU 738 CO -0.05 1.03 0.44 -0.09 -0.34 0.00 0.00 178.44 179.43 1ww3 h ARG 739 N 0.50 0.81 -0.61 1.25 2.43 -0.74 -2.18 114.38 115.85 1ww3 h ARG 739 Ca 0.07 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1ww3 h ARG 739 Cb 0.76 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 1ww3 h ARG 739 CO 0.06 0.54 0.37 0.37 -1.51 0.00 0.00 179.97 179.80 1ww3 h GLN 740 N 0.84 0.72 -0.29 0.20 4.15 -1.19 -1.42 115.11 118.11 1ww3 h GLN 740 Ca 0.31 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1ww3 h GLN 740 Cb 0.10 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1ww3 h GLN 740 CO -0.14 0.47 0.15 0.82 -1.93 0.00 0.00 178.83 178.20 1ww3 h ILE 741 N 0.74 1.14 -0.41 2.39 2.04 -1.19 -0.62 117.51 121.60 1ww3 h ILE 741 Ca 0.24 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1ww3 h ILE 741 Cb 0.02 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1ww3 h ILE 741 CO -0.10 0.14 0.07 0.40 0.00 0.00 0.00 178.15 178.66 1ww3 h ILE 742 N 0.34 1.20 -0.12 -0.67 5.03 -1.18 -1.30 117.51 120.80 1ww3 h ILE 742 Ca 0.10 -0.74 -0.13 0.00 -0.12 0.00 0.00 64.86 63.97 1ww3 h ILE 742 Cb 0.09 0.82 -0.01 0.00 -3.03 0.00 0.00 36.82 34.69 1ww3 h ILE 742 CO -0.01 0.26 -0.51 -0.33 -0.68 0.00 0.00 178.15 176.88 1ww3 h GLU 743 N 0.60 0.32 -0.45 2.37 5.08 -0.89 -0.69 114.58 120.93 1ww3 h GLU 743 Ca 0.13 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 1ww3 h GLU 743 Cb 0.28 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ww3 h GLU 743 CO 0.00 0.76 -0.16 1.96 -1.00 0.00 0.00 179.01 180.57 1ww3 h GLN 744 N 0.25 0.90 -0.30 2.33 4.20 -0.48 -0.43 115.11 121.59 1ww3 h GLN 744 Ca 0.01 -0.37 -0.04 0.00 0.06 0.00 0.00 58.65 58.31 1ww3 h GLN 744 Cb 0.99 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1ww3 h GLN 744 CO 0.08 1.02 0.04 -0.07 -0.67 0.00 0.00 178.83 179.24 1ww3 h LEU 745 N 0.74 0.48 -0.89 1.46 3.38 -1.09 -1.23 115.31 118.16 1ww3 h LEU 745 Ca 0.11 -0.27 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 1ww3 h LEU 745 Cb 0.72 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1ww3 h LEU 745 CO 0.06 0.63 -0.27 0.28 0.09 0.00 0.00 178.44 179.22 1ww3 h SER 746 N 0.32 0.51 1.58 -0.43 0.02 -1.05 -3.15 113.55 111.34 1ww3 h SER 746 Ca 0.09 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1ww3 h SER 746 Cb 0.35 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1ww3 h SER 746 CO 0.01 0.77 0.00 0.77 -1.14 0.00 0.00 176.83 177.23 1ww3 h SER 747 N 0.44 0.00 0.00 3.07 4.64 -1.04 -3.44 113.55 117.23 1ww3 h SER 747 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ww3 h SER 747 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1ww3 h SER 747 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1ww3 n GLY 748 N 1.26 0.98 0.35 -0.77 0.00 -1.07 -4.84 105.19 101.10 1ww3 n GLY 748 Ca 0.05 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.14 1ww3 n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ww3 h PHE 749 N 0.00 0.62 -0.26 1.61 3.04 -1.48 -1.21 116.94 119.26 1ww3 h PHE 749 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1ww3 h PHE 749 Cb 0.00 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.31 1ww3 h PHE 749 CO 0.00 0.32 0.00 1.19 -2.02 0.00 0.00 178.31 177.80 1ww3 n PHE 750 N -4.48 0.32 -2.95 0.41 3.72 -1.26 -4.58 117.46 108.64 1ww3 n PHE 750 Ca 0.10 -0.16 -0.15 0.00 -0.05 0.00 0.00 57.45 57.19 1ww3 n PHE 750 Cb 0.28 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.82 1ww3 n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1ww3 n SER 751 N 1.38 -1.43 -0.12 4.37 3.41 -0.50 -4.81 113.62 115.93 1ww3 n SER 751 Ca 0.18 -3.05 -0.09 0.00 -0.26 0.00 0.00 58.87 55.65 1ww3 n SER 751 Cb 0.59 0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 65.19 1ww3 n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1ww3 h PRO 752 N 3.93 -0.30 0.00 4.33 0.11 -1.69 -1.67 132.00 136.70 1ww3 h PRO 752 Ca -0.04 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1ww3 h PRO 752 Cb 0.97 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ww3 h PRO 752 CO 0.38 -0.20 -0.14 0.87 -0.21 0.00 0.00 178.00 178.70 1ww3 h LYS 753 N -0.31 0.00 -2.49 1.05 1.57 -1.96 -3.31 116.57 111.11 1ww3 h LYS 753 Ca 0.15 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.33 1ww3 h LYS 753 Cb 0.57 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.48 1ww3 h LYS 753 CO -0.56 0.14 -0.82 1.04 -0.57 0.00 0.00 179.45 178.69 1ww3 n GLN 754 N -3.53 1.17 -0.32 3.15 6.02 -0.68 -5.00 117.38 118.18 1ww3 n GLN 754 Ca -0.01 -3.83 0.21 0.00 -0.01 0.00 0.00 57.00 53.35 1ww3 n GLN 754 Cb 0.29 -1.87 0.42 0.00 1.02 0.00 0.00 30.24 30.10 1ww3 n GLN 754 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1ww3 h PRO 755 N 5.02 0.26 -0.67 -1.09 0.11 -1.51 -0.82 132.00 133.28 1ww3 h PRO 755 Ca 0.19 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.06 1ww3 h PRO 755 Cb 0.82 -0.06 -0.13 0.00 0.11 0.00 0.00 31.00 31.73 1ww3 h PRO 755 CO 0.57 0.17 0.25 -0.40 -0.21 0.00 0.00 178.00 178.38 1ww3 n ASP 756 N -5.13 4.35 -0.26 -2.05 3.85 -1.26 -3.30 116.55 112.74 1ww3 n ASP 756 Ca 0.29 -3.31 0.08 0.00 -0.71 0.00 0.00 54.79 51.13 1ww3 n ASP 756 Cb 0.90 -0.72 0.32 0.00 -1.35 0.00 0.00 41.12 40.27 1ww3 n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 1ww3 h LEU 757 N 2.20 0.75 -3.73 -2.12 5.85 -1.46 -2.41 115.31 114.38 1ww3 h LEU 757 Ca 0.28 0.02 -0.28 0.00 0.84 0.00 0.00 57.88 58.73 1ww3 h LEU 757 Cb 2.23 -0.13 -0.17 0.00 0.37 0.00 0.00 40.66 42.96 1ww3 h LEU 757 CO 0.69 0.44 0.32 0.49 -0.34 0.00 0.00 178.44 180.04 1ww3 n PHE 758 N -4.52 2.34 -0.36 1.25 3.01 -1.26 -4.60 117.46 113.33 1ww3 n PHE 758 Ca 0.14 -1.42 -0.01 0.00 1.01 0.00 0.00 57.45 57.17 1ww3 n PHE 758 Cb 0.32 -0.71 0.13 0.00 -0.01 0.00 0.00 39.48 39.21 1ww3 n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 1ww3 h LYS 759 N 1.89 1.27 -0.86 -1.08 2.10 -1.76 -2.25 116.57 115.89 1ww3 h LYS 759 Ca 0.35 -0.08 -0.03 0.00 -2.00 0.00 0.00 60.65 58.89 1ww3 h LYS 759 Cb 2.34 -0.29 -0.04 0.00 -0.90 0.00 0.00 32.23 33.34 1ww3 h LYS 759 CO 0.76 0.84 0.41 -0.44 -2.00 0.00 0.00 179.45 179.03 1ww3 h ASP 760 N 1.31 1.12 -0.26 7.07 3.32 -1.84 -0.34 116.42 126.79 1ww3 h ASP 760 Ca 0.36 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1ww3 h ASP 760 Cb -0.13 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.12 1ww3 h ASP 760 CO -0.08 0.94 0.03 0.40 -1.72 0.00 0.00 179.24 178.80 1ww3 h ILE 761 N 1.22 1.24 -0.55 0.35 2.04 -1.78 -1.25 117.51 118.78 1ww3 h ILE 761 Ca 0.29 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.28 1ww3 h ILE 761 Cb 0.12 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1ww3 h ILE 761 CO -0.04 0.26 0.15 0.58 0.00 0.00 0.00 178.15 179.11 1ww3 h VAL 762 N 0.25 1.24 -0.64 1.67 2.07 -1.23 -1.46 116.25 118.15 1ww3 h VAL 762 Ca 0.08 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ww3 h VAL 762 Cb 0.36 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1ww3 h VAL 762 CO 0.01 0.31 0.40 -1.13 0.02 0.00 0.00 177.57 177.18 1ww3 h ASN 763 N 0.78 0.76 0.03 0.57 -0.00 -0.97 -0.92 115.58 115.83 1ww3 h ASN 763 Ca 0.18 -0.05 -0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1ww3 h ASN 763 Cb 0.31 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 1ww3 h ASN 763 CO -0.00 0.58 -0.01 -0.03 -0.00 0.00 0.00 177.43 177.97 1ww3 h MET 764 N 0.87 -0.04 -0.96 6.67 4.05 -1.01 0.05 114.93 124.58 1ww3 h MET 764 Ca 0.23 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.71 1ww3 h MET 764 Cb -0.05 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.70 1ww3 h MET 764 CO -0.05 0.21 0.62 -0.07 0.23 0.00 0.00 176.91 177.85 1ww3 h LEU 765 N -0.28 1.00 0.11 3.39 3.38 -1.10 -0.14 115.31 121.67 1ww3 h LEU 765 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1ww3 h LEU 765 Cb 0.26 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ww3 h LEU 765 CO 0.01 0.65 -1.23 0.24 0.09 0.00 0.00 178.44 178.20 1ww3 h MET 766 N 1.14 0.22 0.00 1.13 2.86 -1.08 -3.41 114.93 115.80 1ww3 h MET 766 Ca 0.40 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1ww3 h MET 766 Cb 0.12 0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1ww3 h MET 766 CO -0.15 1.17 -1.00 0.72 1.06 0.00 0.00 176.91 178.72 1ww3 n HIS 767 N -3.49 0.00 -2.91 -0.22 8.25 -0.00 -4.44 115.22 112.40 1ww3 n HIS 767 Ca -0.08 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.26 1ww3 n HIS 767 Cb 1.01 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.16 1ww3 n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1ww3 n HIS 768 N -1.61 -0.97 -3.15 4.41 -0.00 -0.14 -5.04 115.22 108.72 1ww3 n HIS 768 Ca 0.00 -2.92 -0.44 0.00 -0.00 0.00 0.00 57.72 54.35 1ww3 n HIS 768 Cb 0.11 0.47 -0.05 0.00 -0.00 0.00 0.00 29.99 30.52 1ww3 n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1ww3 s ASP 769 N -2.02 6.20 0.36 4.39 3.68 -0.73 -4.82 116.67 123.73 1ww3 s ASP 769 Ca 0.30 -1.22 0.27 0.00 2.13 0.00 0.00 52.55 54.03 1ww3 s ASP 769 Cb 0.35 -2.29 1.17 0.00 -1.45 0.00 0.00 42.92 40.71 1ww3 s ASP 769 CO -0.05 -0.99 1.80 0.03 0.13 0.00 0.00 175.17 176.09 1ww3 h ARG 770 N 9.07 0.00 -0.28 4.34 3.08 -1.97 -3.12 114.38 125.50 1ww3 h ARG 770 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1ww3 h ARG 770 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1ww3 h ARG 770 CO 1.03 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 181.12 1ww3 n PHE 771 N -2.48 0.61 -3.77 3.04 3.72 -1.26 -5.03 117.46 112.29 1ww3 n PHE 771 Ca 0.01 -0.66 -0.28 0.00 -0.05 0.00 0.00 57.45 56.47 1ww3 n PHE 771 Cb 0.21 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.62 1ww3 n PHE 771 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1ww3 n LYS 772 N 0.00 -0.69 -0.15 -1.08 2.85 -1.18 -4.78 118.16 113.14 1ww3 n LYS 772 Ca 0.15 0.13 -0.05 0.00 -1.05 0.00 0.00 58.31 57.48 1ww3 n LYS 772 Cb 0.60 -1.48 0.04 0.00 -0.65 0.00 0.00 35.03 33.54 1ww3 n LYS 772 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ww3 h VAL 773 N -0.57 0.96 -0.46 0.58 2.07 -1.93 -2.66 116.25 114.24 1ww3 h VAL 773 Ca -0.49 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 1ww3 h VAL 773 Cb 0.99 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1ww3 h VAL 773 CO 0.33 0.08 0.27 -0.26 0.02 0.00 0.00 177.57 178.01 1ww3 h PHE 774 N 0.45 0.60 0.00 1.57 0.05 -1.91 -2.89 116.94 114.80 1ww3 h PHE 774 Ca 0.20 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.99 1ww3 h PHE 774 Cb 0.11 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 37.86 1ww3 h PHE 774 CO -0.11 0.40 -0.04 0.00 -0.18 0.00 0.00 178.31 178.39 1ww3 h ALA 775 N 1.67 1.76 -0.18 2.45 0.00 -1.85 -2.45 119.26 120.66 1ww3 h ALA 775 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ww3 h ALA 775 Cb -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ww3 h ALA 775 CO -0.03 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 1ww3 n ASP 776 N -4.23 2.71 0.13 0.00 8.00 -1.10 -4.71 116.55 117.34 1ww3 n ASP 776 Ca -0.03 -1.79 -0.13 0.00 0.71 0.00 0.00 54.79 53.55 1ww3 n ASP 776 Cb 0.12 -0.11 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 1ww3 n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1ww3 h TYR 777 N 3.20 -0.35 -0.02 1.24 5.03 -1.32 -1.49 116.97 123.25 1ww3 h TYR 777 Ca 0.00 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1ww3 h TYR 777 Cb 0.74 0.13 -0.00 0.00 1.55 0.00 0.00 36.73 39.15 1ww3 h TYR 777 CO 0.11 -0.21 0.02 1.49 -1.32 0.00 0.00 178.16 178.25 1ww3 h GLU 778 N -0.31 0.03 -0.08 1.82 4.81 -1.84 -1.31 114.58 117.70 1ww3 h GLU 778 Ca -0.00 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1ww3 h GLU 778 Cb 0.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1ww3 h GLU 778 CO -0.02 0.04 -0.18 1.49 -0.73 0.00 0.00 179.01 179.62 1ww3 h GLU 779 N 0.01 0.13 0.06 1.92 4.81 -1.88 -2.16 114.58 117.48 1ww3 h GLU 779 Ca 0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1ww3 h GLU 779 Cb 0.02 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ww3 h GLU 779 CO -0.00 0.31 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.64 1ww3 h TYR 780 N 0.12 -0.08 -0.80 0.92 3.20 -0.91 -1.68 116.97 117.74 1ww3 h TYR 780 Ca 0.02 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1ww3 h TYR 780 Cb 0.39 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.64 1ww3 h TYR 780 CO 0.00 0.27 0.51 0.28 -1.64 0.00 0.00 178.16 177.59 1ww3 h VAL 781 N -0.44 1.13 -0.32 1.81 2.07 -1.06 -0.64 116.25 118.80 1ww3 h VAL 781 Ca -0.01 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 1ww3 h VAL 781 Cb 0.39 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1ww3 h VAL 781 CO 0.01 0.18 -0.22 0.11 0.02 0.00 0.00 177.57 177.68 1ww3 h LYS 782 N 1.00 0.61 -0.54 1.57 1.57 -1.38 -2.33 116.57 117.07 1ww3 h LYS 782 Ca 0.32 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1ww3 h LYS 782 Cb 0.01 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1ww3 h LYS 782 CO -0.11 0.78 -0.12 0.00 -0.57 0.00 0.00 179.45 179.43 1ww3 h GLN 784 N 0.91 0.01 -0.22 0.00 1.08 -0.84 -1.12 115.11 114.94 1ww3 h GLN 784 Ca 0.14 -0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.21 1ww3 h GLN 784 Cb 0.69 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1ww3 h GLN 784 CO 0.05 0.09 -0.41 0.93 -0.95 0.00 0.00 178.83 178.54 1ww3 h GLU 785 N 0.01 0.53 -0.01 1.46 5.08 -0.95 -2.27 114.58 118.42 1ww3 h GLU 785 Ca 0.00 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1ww3 h GLU 785 Cb 0.15 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1ww3 h GLU 785 CO 0.01 0.85 -0.42 0.00 -1.00 0.00 0.00 179.01 178.45 1ww3 h ARG 786 N 0.44 0.03 -0.24 2.33 3.08 -1.01 -1.86 114.38 117.15 1ww3 h ARG 786 Ca 0.04 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1ww3 h ARG 786 Cb 0.91 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1ww3 h ARG 786 CO 0.08 0.45 -0.08 0.28 -1.07 0.00 0.00 179.97 179.63 1ww3 h VAL 787 N 0.02 1.29 -0.71 2.04 2.07 -1.02 -2.48 116.25 117.47 1ww3 h VAL 787 Ca -0.00 -1.11 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1ww3 h VAL 787 Cb 0.76 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1ww3 h VAL 787 CO 0.06 0.34 0.30 0.28 0.02 0.00 0.00 177.57 178.57 1ww3 h SER 788 N 0.21 0.95 -0.69 0.57 0.02 -1.18 -1.61 113.55 111.81 1ww3 h SER 788 Ca 0.06 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1ww3 h SER 788 Cb 0.56 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1ww3 h SER 788 CO 0.03 0.83 0.39 0.00 -1.14 0.00 0.00 176.83 176.94 1ww3 h ALA 789 N 1.31 0.89 -0.26 3.77 0.00 -1.23 -2.73 119.26 121.01 1ww3 h ALA 789 Ca 0.24 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1ww3 h ALA 789 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ww3 h ALA 789 CO -0.02 0.39 -0.45 1.25 0.00 0.00 0.00 179.25 180.42 1ww3 h LEU 790 N 0.95 0.70 -2.01 0.00 6.46 -1.08 -2.99 115.31 117.34 1ww3 h LEU 790 Ca 0.24 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1ww3 h LEU 790 Cb 0.02 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.75 1ww3 h LEU 790 CO -0.04 1.05 -0.07 0.22 -0.62 0.00 0.00 178.44 178.98 1ww3 h TYR 791 N 0.52 0.00 0.00 1.25 3.20 -1.01 -0.47 116.97 120.46 1ww3 h TYR 791 Ca 0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ww3 h TYR 791 Cb 0.99 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1ww3 h TYR 791 CO 0.05 0.07 0.00 1.63 -1.64 0.00 0.00 178.16 178.26 1ww3 n LYS 792 N -4.19 0.00 -3.84 1.82 5.02 -1.06 -3.75 118.16 112.16 1ww3 n LYS 792 Ca -0.03 0.30 -0.28 0.00 -2.02 0.00 0.00 58.31 56.28 1ww3 n LYS 792 Cb 0.15 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.55 1ww3 n LYS 792 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ww3 n ASN 793 N -1.50 3.15 -0.33 4.39 2.85 -0.19 -4.99 115.26 118.65 1ww3 n ASN 793 Ca 0.03 -3.25 0.05 0.00 -0.11 0.00 0.00 54.58 51.30 1ww3 n ASN 793 Cb 0.14 -0.75 0.11 0.00 1.24 0.00 0.00 39.78 40.52 1ww3 n ASN 793 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1ww3 n PRO 794 N 1.81 -0.10 -0.16 1.20 -0.02 -1.25 -1.50 135.00 134.99 1ww3 n PRO 794 Ca 0.21 1.40 -0.07 0.00 -2.02 0.00 0.00 63.50 63.02 1ww3 n PRO 794 Cb 0.36 -2.10 0.01 0.00 -0.02 0.00 0.00 33.50 31.75 1ww3 n PRO 794 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1ww3 h ARG 795 N 0.00 0.63 0.00 -0.52 2.43 -1.94 -1.37 114.38 113.62 1ww3 h ARG 795 Ca 0.42 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.40 1ww3 h ARG 795 Cb 0.64 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1ww3 h ARG 795 CO -0.92 0.45 -0.68 0.93 -1.51 0.00 0.00 179.97 178.24 1ww3 h GLU 796 N 0.63 0.00 -0.14 0.20 4.39 -1.60 -2.13 114.58 115.94 1ww3 h GLU 796 Ca 0.17 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 1ww3 h GLU 796 Cb -0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1ww3 h GLU 796 CO -0.03 0.68 -0.00 2.35 -1.16 0.00 0.00 179.01 180.84 1ww3 h TRP 797 N 0.00 0.27 -0.47 4.33 2.91 -1.09 -2.34 115.95 119.56 1ww3 h TRP 797 Ca -0.01 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 59.92 1ww3 h TRP 797 Cb 1.27 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.83 1ww3 h TRP 797 CO 0.00 0.48 0.12 1.15 -1.03 0.00 0.00 178.44 179.16 1ww3 h THR 798 N -0.02 1.20 -0.37 2.65 2.02 -1.20 -1.52 112.91 115.67 1ww3 h THR 798 Ca 0.04 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.41 1ww3 h THR 798 Cb 0.37 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1ww3 h THR 798 CO 0.01 0.26 -0.16 0.03 0.37 0.00 0.00 175.52 176.03 1ww3 h ARG 799 N 0.68 0.68 -0.38 6.66 3.08 -1.27 -0.50 114.38 123.33 1ww3 h ARG 799 Ca 0.15 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.84 1ww3 h ARG 799 Cb 0.25 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1ww3 h ARG 799 CO -0.00 0.80 -0.30 1.98 -1.07 0.00 0.00 179.97 181.38 1ww3 h MET 800 N 0.61 0.82 -0.41 0.04 4.05 -0.93 -2.11 114.93 117.01 1ww3 h MET 800 Ca 0.10 -0.38 0.02 0.00 -0.28 0.00 0.00 59.70 59.16 1ww3 h MET 800 Cb 0.61 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.37 1ww3 h MET 800 CO 0.04 1.01 0.24 0.28 0.23 0.00 0.00 176.91 178.71 1ww3 h VAL 801 N 0.70 1.04 -0.64 -5.77 2.07 -0.81 -1.33 116.25 111.51 1ww3 h VAL 801 Ca 0.08 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1ww3 h VAL 801 Cb 0.84 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1ww3 h VAL 801 CO 0.07 0.09 0.42 0.40 0.02 0.00 0.00 177.57 178.58 1ww3 h ILE 802 N 0.48 1.13 -0.32 4.57 2.04 -0.85 -0.48 117.51 124.08 1ww3 h ILE 802 Ca 0.16 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1ww3 h ILE 802 Cb 0.01 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1ww3 h ILE 802 CO -0.08 0.15 -0.01 -0.09 0.00 0.00 0.00 178.15 178.12 1ww3 h ARG 803 N 0.83 0.50 0.10 2.37 9.65 -0.59 -1.21 114.38 126.03 1ww3 h ARG 803 Ca 0.24 -0.11 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1ww3 h ARG 803 Cb -0.03 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1ww3 h ARG 803 CO -0.06 0.54 -0.05 -0.91 2.80 0.00 0.00 179.97 182.29 1ww3 h ASN 804 N 0.48 -0.11 -0.83 -3.80 -0.26 -0.29 -3.15 115.58 107.62 1ww3 h ASN 804 Ca 0.10 -0.48 0.10 0.00 -0.56 0.00 0.00 56.30 55.46 1ww3 h ASN 804 Cb 0.33 0.03 -0.07 0.00 -1.06 0.00 0.00 38.32 37.54 1ww3 h ASN 804 CO 0.01 0.52 0.47 0.40 -1.06 0.00 0.00 177.43 177.77 1ww3 h ILE 805 N -0.84 0.91 0.00 2.81 2.04 -1.14 -1.80 117.51 119.49 1ww3 h ILE 805 Ca -0.01 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1ww3 h ILE 805 Cb 0.58 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1ww3 h ILE 805 CO 0.02 0.14 -0.10 0.00 0.00 0.00 0.00 178.15 178.21 1ww3 h ALA 806 N 1.46 1.44 -0.27 1.87 0.00 -1.31 -2.92 119.26 119.53 1ww3 h ALA 806 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ww3 h ALA 806 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ww3 h ALA 806 CO -0.25 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.38 1ww3 n THR 807 N -3.84 2.18 1.41 0.00 -2.24 -0.71 -2.35 114.28 108.74 1ww3 n THR 807 Ca -0.02 -1.81 0.14 0.00 -2.27 0.00 0.00 64.05 60.09 1ww3 n THR 807 Cb 0.20 -0.19 0.53 0.00 -2.10 0.00 0.00 70.33 68.76 1ww3 n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ww3 n SER 808 N -0.43 0.92 -0.32 3.42 3.41 -1.02 -4.35 113.62 115.25 1ww3 n SER 808 Ca 0.20 -0.97 0.16 0.00 -0.26 0.00 0.00 58.87 58.01 1ww3 n SER 808 Cb 0.85 0.03 0.40 0.00 -0.26 0.00 0.00 64.21 65.23 1ww3 n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ww3 h GLY 809 N 4.92 1.48 2.00 5.00 0.00 -1.80 -1.19 103.07 113.48 1ww3 h GLY 809 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ww3 h GLY 809 CO 0.00 -0.07 -0.00 1.70 0.00 0.00 0.00 176.54 178.17 1ww3 h LYS 810 N 0.61 0.00 -0.73 4.80 3.64 -1.89 -2.79 116.57 120.22 1ww3 h LYS 810 Ca 0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1ww3 h LYS 810 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1ww3 h LYS 810 CO -0.32 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.05 1ww3 n PHE 811 N -3.67 0.87 -2.75 1.91 3.01 -0.45 -4.77 117.46 111.61 1ww3 n PHE 811 Ca -0.03 -0.31 -0.41 0.00 1.01 0.00 0.00 57.45 57.71 1ww3 n PHE 811 Cb 0.08 -0.24 -0.05 0.00 -0.01 0.00 0.00 39.48 39.27 1ww3 n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ww3 s SER 812 N -0.46 7.49 0.12 4.37 0.15 -1.05 -0.89 113.70 123.42 1ww3 s SER 812 Ca 0.24 1.78 0.13 0.00 0.70 0.00 0.00 55.95 58.81 1ww3 s SER 812 Cb 0.18 -2.58 0.61 0.00 -1.71 0.00 0.00 66.02 62.52 1ww3 s SER 812 CO 0.09 -0.03 1.41 -1.54 1.20 0.00 0.00 173.24 174.36 1ww3 n SER 813 N 2.64 0.25 -0.09 5.45 3.41 -0.11 -1.33 113.62 123.85 1ww3 n SER 813 Ca 0.01 0.59 -0.09 0.00 -0.26 0.00 0.00 58.87 59.13 1ww3 n SER 813 Cb 0.49 -0.63 0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1ww3 n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ww3 h ASP 814 N 0.00 0.82 -0.21 4.04 3.32 -1.91 -0.05 116.42 122.43 1ww3 h ASP 814 Ca 0.00 -0.31 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 1ww3 h ASP 814 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1ww3 h ASP 814 CO 0.00 1.03 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.42 1ww3 h ARG 815 N 0.69 0.39 -0.09 3.56 1.12 -1.52 -1.47 114.38 117.07 1ww3 h ARG 815 Ca 0.09 -0.15 0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1ww3 h ARG 815 Cb 0.77 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.68 1ww3 h ARG 815 CO 0.06 0.64 -0.07 1.15 -3.11 0.00 0.00 179.97 178.64 1ww3 h THR 816 N 0.12 0.79 -0.40 0.20 2.02 -1.38 -2.02 112.91 112.23 1ww3 h THR 816 Ca 0.05 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1ww3 h THR 816 Cb 0.49 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1ww3 h THR 816 CO 0.02 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 176.30 1ww3 h ILE 817 N -0.08 1.22 -0.62 3.11 1.08 -1.00 -1.65 117.51 119.56 1ww3 h ILE 817 Ca 0.06 -0.90 -0.02 0.00 -0.39 0.00 0.00 64.86 63.61 1ww3 h ILE 817 Cb 0.17 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1ww3 h ILE 817 CO -0.14 0.31 0.29 0.00 -0.69 0.00 0.00 178.15 177.92 1ww3 h ALA 818 N 1.39 1.35 -0.26 1.87 0.00 -0.89 -0.00 119.26 122.71 1ww3 h ALA 818 Ca 0.12 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1ww3 h ALA 818 Cb 0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ww3 h ALA 818 CO 0.01 0.51 -0.45 1.96 0.00 0.00 0.00 179.25 181.28 1ww3 h GLN 819 N 0.88 0.77 -0.55 0.00 4.20 -0.65 -1.88 115.11 117.88 1ww3 h GLN 819 Ca 0.22 -0.48 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1ww3 h GLN 819 Cb 0.10 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1ww3 h GLN 819 CO -0.03 1.11 0.33 1.88 -0.67 0.00 0.00 178.83 181.44 1ww3 h TYR 820 N 0.52 0.73 -0.12 2.96 0.05 -0.99 -0.37 116.97 119.75 1ww3 h TYR 820 Ca 0.02 -0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1ww3 h TYR 820 Cb 1.05 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.54 1ww3 h TYR 820 CO 0.08 0.51 0.04 0.00 -1.05 0.00 0.00 178.16 177.73 1ww3 h ALA 821 N 1.16 0.13 0.13 3.88 0.00 -0.91 -0.21 119.26 123.42 1ww3 h ALA 821 Ca 0.20 0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 1ww3 h ALA 821 Cb -0.00 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1ww3 h ALA 821 CO -0.04 -0.42 -1.26 0.00 0.00 0.00 0.00 179.25 177.54 1ww3 h ARG 822 N 0.09 0.62 0.00 0.00 3.08 -1.25 0.95 114.38 117.87 1ww3 h ARG 822 Ca 0.05 -0.83 0.00 0.00 0.07 0.00 0.00 59.98 59.27 1ww3 h ARG 822 Cb 0.03 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1ww3 h ARG 822 CO -0.06 1.38 -0.98 0.39 -1.07 0.00 0.00 179.97 179.63 1ww3 n GLU 823 N -3.78 0.26 0.00 0.04 1.02 -0.16 -4.30 120.64 113.72 1ww3 n GLU 823 Ca -0.14 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 1ww3 n GLU 823 Cb 0.99 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1ww3 n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1ww3 n ILE 824 N -1.91 0.00 0.22 -3.67 5.41 -0.24 -4.86 119.36 114.31 1ww3 n ILE 824 Ca 0.02 0.00 0.12 0.00 1.00 0.00 0.00 62.75 63.89 1ww3 n ILE 824 Cb 0.42 -1.17 0.12 0.00 -0.71 0.00 0.00 39.64 38.31 1ww3 n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1ww3 h TRP 825 N 0.00 0.00 -3.22 1.39 6.55 -1.15 -3.48 115.95 116.04 1ww3 h TRP 825 Ca 0.00 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.66 1ww3 h TRP 825 Cb 0.73 0.00 0.06 0.00 -0.86 0.00 0.00 29.16 29.09 1ww3 h TRP 825 CO 0.00 0.00 -0.31 0.41 -1.05 0.00 0.00 178.44 177.49 1ww3 n GLY 826 N 1.16 0.26 3.08 1.49 0.00 0.15 -4.97 105.19 106.35 1ww3 n GLY 826 Ca 0.03 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1ww3 n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ww3 s VAL 827 N -3.15 0.57 -0.22 1.61 -7.23 -0.16 -5.02 120.40 106.81 1ww3 s VAL 827 Ca 0.24 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.13 1ww3 s VAL 827 Cb -0.10 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 1ww3 s VAL 827 CO 0.33 -0.42 0.20 -1.61 -0.31 0.00 0.00 175.10 173.28 1ww3 s GLU 828 N -1.79 4.12 0.69 4.82 0.41 -1.26 -3.50 118.70 122.18 1ww3 s GLU 828 Ca -0.08 -0.17 -0.14 0.00 -0.41 0.00 0.00 54.97 54.18 1ww3 s GLU 828 Cb -0.09 -3.51 0.02 0.00 -1.78 0.00 0.00 34.13 28.77 1ww3 s GLU 828 CO -0.00 0.10 1.10 -1.25 -0.49 0.00 0.00 175.26 174.72 1ww3 s PRO 829 N 0.92 2.67 0.02 0.39 0.04 -1.26 -4.95 135.00 132.82 1ww3 s PRO 829 Ca 0.10 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1ww3 s PRO 829 Cb -0.13 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1ww3 s PRO 829 CO 0.04 -1.34 -0.03 0.45 0.04 0.00 0.00 177.00 176.16 1ww3 s SER 830 N -2.88 0.24 0.00 6.66 0.15 0.20 -5.02 113.70 113.06 1ww3 s SER 830 Ca 0.65 -0.34 0.09 0.00 0.70 0.00 0.00 55.95 57.04 1ww3 s SER 830 Cb -0.19 0.06 0.16 0.00 -1.71 0.00 0.00 66.02 64.34 1ww3 s SER 830 CO 0.46 -0.19 1.00 0.54 1.20 0.00 0.00 173.24 176.25 1ww3 n ARG 831 N 2.08 1.61 -2.11 5.44 5.12 -1.26 -2.97 116.66 124.56 1ww3 n ARG 831 Ca -0.20 -1.50 -0.42 0.00 -1.93 0.00 0.00 57.85 53.80 1ww3 n ARG 831 Cb 0.57 -1.19 -0.03 0.00 -1.16 0.00 0.00 32.46 30.64 1ww3 n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ww3 s GLN 832 N -0.87 4.29 0.44 5.56 -0.21 -1.26 -4.98 119.66 122.64 1ww3 s GLN 832 Ca 0.15 2.14 -0.25 0.00 0.02 0.00 0.00 55.36 57.41 1ww3 s GLN 832 Cb 0.09 -3.24 -0.08 0.00 1.00 0.00 0.00 33.01 30.78 1ww3 s GLN 832 CO 0.12 -0.48 1.38 1.03 -2.12 0.00 0.00 175.29 175.21 1ww3 s ARG 833 N 1.16 3.75 0.30 2.91 3.00 -1.26 -4.98 118.95 123.83 1ww3 s ARG 833 Ca 0.66 2.31 -0.21 0.00 0.00 0.00 0.00 55.73 58.48 1ww3 s ARG 833 Cb -0.38 -2.66 -0.09 0.00 0.00 0.00 0.00 34.95 31.81 1ww3 s ARG 833 CO 0.30 -0.73 0.84 -1.17 0.00 0.00 0.00 175.30 174.54 1ww3 s LEU 834 N -2.68 4.24 0.00 2.53 2.96 0.49 -4.85 118.68 121.38 1ww3 s LEU 834 Ca 0.60 1.59 -0.07 0.00 -0.22 0.00 0.00 54.13 56.03 1ww3 s LEU 834 Cb -0.41 -3.95 -0.09 0.00 0.50 0.00 0.00 46.19 42.24 1ww3 s LEU 834 CO 0.53 -0.09 0.71 -0.81 -1.32 0.00 0.00 176.35 175.37 1ww3 n PRO 835 N 0.32 0.00 -0.29 0.98 -0.04 -1.26 -4.76 135.00 129.95 1ww3 n PRO 835 Ca 0.01 -0.25 0.02 0.00 -0.04 0.00 0.00 63.50 63.24 1ww3 n PRO 835 Cb 0.51 -1.38 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1ww3 n PRO 835 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ww3 n ALA 836 N 4.70 -2.16 1.82 0.55 0.00 -1.26 -5.17 120.51 119.00 1ww3 n ALA 836 Ca 0.11 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.75 1ww3 n ALA 836 Cb 0.25 -0.58 0.80 0.00 0.00 0.00 0.00 19.45 19.93 1ww3 n ALA 836 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15